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= 0.362 K(o=0.54,f=-8.5!) USER MOD Set 1.2: A 769 HIS : no HD1:sc= 0.178 K(o=0.54,f=-9.7!) USER MOD Single : A 728 HIS : no HD1:sc= -0.0159 X(o=-0.016,f=0) USER MOD Single : A 732 MET CE :methyl -159:sc= -0.0399 (180deg=-0.373) USER MOD Single : A 737 MET CE :methyl 169:sc= -0.033 (180deg=-0.256) USER MOD Single : A 739 SER OG : rot 52:sc= 1.25 USER MOD Single : A 740 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 741 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 :FLIP amide:sc=-0.000905 F(o=-2.1,f=-0.0009) USER MOD Single : A 749 SER OG : rot -26:sc= 0.0461 USER MOD Single : A 751 ASN : amide:sc= 0.882 K(o=0.88,f=-5.8!) 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=-0.0053) USER MOD Single : A 760 GLN : amide:sc= -0.245 K(o=-0.25,f=-4.7!) USER MOD Single : A 765 HIS : no HE2:sc= 2 K(o=2,f=-10!) USER MOD Single : A 771 SER OG : rot 180:sc= 0 USER MOD Single : A 781 THR OG1 : rot -109:sc= 1.16 USER MOD Single : A 783 SER OG : rot 180:sc= 0 USER MOD Single : A 784 LYS NZ :NH3+ -166:sc= 0.39 (180deg=0.318) USER MOD ----------------------------------------------------------------- ATOM 143 N HIS A 728 11.792 -11.655 -22.498 1.00 0.00 N ATOM 144 CA HIS A 728 12.730 -12.775 -22.523 1.00 0.00 C ATOM 145 C HIS A 728 13.753 -12.650 -21.406 1.00 0.00 C ATOM 146 O HIS A 728 13.880 -13.540 -20.568 1.00 0.00 O ATOM 147 CB HIS A 728 13.455 -12.851 -23.875 1.00 0.00 C ATOM 148 CG HIS A 728 14.407 -14.009 -24.000 1.00 0.00 C ATOM 149 ND1 HIS A 728 14.062 -15.240 -24.514 1.00 0.00 N ATOM 150 CD2 HIS A 728 15.723 -14.098 -23.672 1.00 0.00 C ATOM 151 CE1 HIS A 728 15.151 -16.020 -24.483 1.00 0.00 C ATOM 152 NE2 HIS A 728 16.187 -15.373 -23.980 1.00 0.00 N ATOM 0 HA HIS A 728 12.155 -13.689 -22.376 1.00 0.00 H new ATOM 0 HB2 HIS A 728 12.712 -12.919 -24.670 1.00 0.00 H new ATOM 0 HB3 HIS A 728 14.006 -11.924 -24.032 1.00 0.00 H new ATOM 0 HD2 HIS A 728 16.315 -13.304 -23.240 1.00 0.00 H new ATOM 0 HE1 HIS A 728 15.178 -17.044 -24.825 1.00 0.00 H new ATOM 0 HE2 HIS A 728 17.132 -15.734 -23.845 1.00 0.00 H new ATOM 160 N PHE A 729 14.459 -11.530 -21.383 1.00 0.00 N ATOM 161 CA PHE A 729 15.555 -11.342 -20.453 1.00 0.00 C ATOM 162 C PHE A 729 15.048 -11.151 -19.033 1.00 0.00 C ATOM 163 O PHE A 729 15.695 -11.575 -18.076 1.00 0.00 O ATOM 164 CB PHE A 729 16.422 -10.164 -20.891 1.00 0.00 C ATOM 165 CG PHE A 729 17.166 -10.450 -22.162 1.00 0.00 C ATOM 166 CD1 PHE A 729 18.167 -11.405 -22.178 1.00 0.00 C ATOM 167 CD2 PHE A 729 16.858 -9.790 -23.341 1.00 0.00 C ATOM 168 CE1 PHE A 729 18.849 -11.696 -23.340 1.00 0.00 C ATOM 169 CE2 PHE A 729 17.537 -10.080 -24.509 1.00 0.00 C ATOM 170 CZ PHE A 729 18.534 -11.034 -24.507 1.00 0.00 C ATOM 0 H PHE A 729 14.289 -10.737 -22.001 1.00 0.00 H new ATOM 0 HA PHE A 729 16.168 -12.243 -20.460 1.00 0.00 H new ATOM 0 HB2 PHE A 729 15.794 -9.284 -21.030 1.00 0.00 H new ATOM 0 HB3 PHE A 729 17.134 -9.925 -20.101 1.00 0.00 H new ATOM 0 HD1 PHE A 729 18.417 -11.930 -21.268 1.00 0.00 H new ATOM 0 HD2 PHE A 729 16.079 -9.041 -23.347 1.00 0.00 H new ATOM 0 HE1 PHE A 729 19.630 -12.442 -23.336 1.00 0.00 H new ATOM 0 HE2 PHE A 729 17.288 -9.561 -25.422 1.00 0.00 H new ATOM 0 HZ PHE A 729 19.067 -11.262 -25.419 1.00 0.00 H new ATOM 180 N ARG A 730 13.881 -10.538 -18.893 1.00 0.00 N ATOM 181 CA ARG A 730 13.286 -10.362 -17.579 1.00 0.00 C ATOM 182 C ARG A 730 12.863 -11.713 -17.008 1.00 0.00 C ATOM 183 O ARG A 730 12.963 -11.949 -15.802 1.00 0.00 O ATOM 184 CB ARG A 730 12.096 -9.398 -17.630 1.00 0.00 C ATOM 185 CG ARG A 730 11.707 -8.879 -16.254 1.00 0.00 C ATOM 186 CD ARG A 730 11.059 -7.504 -16.315 1.00 0.00 C ATOM 187 NE ARG A 730 11.176 -6.807 -15.031 1.00 0.00 N ATOM 188 CZ ARG A 730 10.997 -5.496 -14.858 1.00 0.00 C ATOM 189 NH1 ARG A 730 10.585 -4.725 -15.860 1.00 0.00 N ATOM 190 NH2 ARG A 730 11.227 -4.961 -13.665 1.00 0.00 N ATOM 0 H ARG A 730 13.333 -10.158 -19.665 1.00 0.00 H new ATOM 0 HA ARG A 730 14.037 -9.923 -16.922 1.00 0.00 H new ATOM 0 HB2 ARG A 730 12.343 -8.555 -18.276 1.00 0.00 H new ATOM 0 HB3 ARG A 730 11.241 -9.904 -18.079 1.00 0.00 H new ATOM 0 HG2 ARG A 730 11.018 -9.582 -15.785 1.00 0.00 H new ATOM 0 HG3 ARG A 730 12.594 -8.832 -15.622 1.00 0.00 H new ATOM 0 HD2 ARG A 730 11.531 -6.911 -17.098 1.00 0.00 H new ATOM 0 HD3 ARG A 730 10.007 -7.606 -16.582 1.00 0.00 H new ATOM 0 HE ARG A 730 11.411 -7.365 -14.210 1.00 0.00 H new ATOM 0 HH11 ARG A 730 10.401 -5.134 -16.776 1.00 0.00 H new ATOM 0 HH12 ARG A 730 10.453 -3.724 -15.712 1.00 0.00 H new ATOM 0 HH21 ARG A 730 11.537 -5.551 -12.893 1.00 0.00 H new ATOM 0 HH22 ARG A 730 11.094 -3.960 -13.521 1.00 0.00 H new ATOM 204 N ALA A 731 12.409 -12.602 -17.885 1.00 0.00 N ATOM 205 CA ALA A 731 12.053 -13.958 -17.485 1.00 0.00 C ATOM 206 C ALA A 731 13.297 -14.727 -17.055 1.00 0.00 C ATOM 207 O ALA A 731 13.273 -15.476 -16.082 1.00 0.00 O ATOM 208 CB ALA A 731 11.343 -14.683 -18.620 1.00 0.00 C ATOM 0 H ALA A 731 12.279 -12.408 -18.878 1.00 0.00 H new ATOM 0 HA ALA A 731 11.370 -13.900 -16.637 1.00 0.00 H new ATOM 0 HB1 ALA A 731 11.086 -15.693 -18.302 1.00 0.00 H new ATOM 0 HB2 ALA A 731 10.434 -14.143 -18.884 1.00 0.00 H new ATOM 0 HB3 ALA A 731 12.001 -14.733 -19.488 1.00 0.00 H new ATOM 214 N MET A 732 14.387 -14.520 -17.784 1.00 0.00 N ATOM 215 CA MET A 732 15.662 -15.148 -17.463 1.00 0.00 C ATOM 216 C MET A 732 16.151 -14.703 -16.086 1.00 0.00 C ATOM 217 O MET A 732 16.666 -15.504 -15.304 1.00 0.00 O ATOM 218 CB MET A 732 16.693 -14.784 -18.536 1.00 0.00 C ATOM 219 CG MET A 732 16.253 -15.170 -19.936 1.00 0.00 C ATOM 220 SD MET A 732 16.735 -16.845 -20.388 1.00 0.00 S ATOM 221 CE MET A 732 18.490 -16.605 -20.627 1.00 0.00 C ATOM 0 H MET A 732 14.412 -13.918 -18.607 1.00 0.00 H new ATOM 0 HA MET A 732 15.529 -16.230 -17.441 1.00 0.00 H new ATOM 0 HB2 MET A 732 16.880 -13.711 -18.503 1.00 0.00 H new ATOM 0 HB3 MET A 732 17.637 -15.279 -18.308 1.00 0.00 H new ATOM 0 HG2 MET A 732 15.169 -15.077 -20.009 1.00 0.00 H new ATOM 0 HG3 MET A 732 16.682 -14.469 -20.652 1.00 0.00 H new ATOM 0 HE1 MET A 732 18.885 -17.405 -21.253 1.00 0.00 H new ATOM 0 HE2 MET A 732 18.663 -15.645 -21.114 1.00 0.00 H new ATOM 0 HE3 MET A 732 18.994 -16.618 -19.661 1.00 0.00 H new ATOM 231 N ILE A 733 15.972 -13.420 -15.792 1.00 0.00 N ATOM 232 CA ILE A 733 16.410 -12.851 -14.524 1.00 0.00 C ATOM 233 C ILE A 733 15.541 -13.322 -13.357 1.00 0.00 C ATOM 234 O ILE A 733 16.064 -13.674 -12.301 1.00 0.00 O ATOM 235 CB ILE A 733 16.432 -11.304 -14.581 1.00 0.00 C ATOM 236 CG1 ILE A 733 17.529 -10.838 -15.548 1.00 0.00 C ATOM 237 CG2 ILE A 733 16.645 -10.704 -13.195 1.00 0.00 C ATOM 238 CD1 ILE A 733 17.624 -9.333 -15.695 1.00 0.00 C ATOM 0 H ILE A 733 15.524 -12.752 -16.419 1.00 0.00 H new ATOM 0 HA ILE A 733 17.425 -13.208 -14.353 1.00 0.00 H new ATOM 0 HB ILE A 733 15.465 -10.956 -14.944 1.00 0.00 H new ATOM 0 HG12 ILE A 733 18.490 -11.220 -15.202 1.00 0.00 H new ATOM 0 HG13 ILE A 733 17.345 -11.277 -16.528 1.00 0.00 H new ATOM 0 HG21 ILE A 733 16.656 -9.616 -13.267 1.00 0.00 H new ATOM 0 HG22 ILE A 733 15.835 -11.016 -12.535 1.00 0.00 H new ATOM 0 HG23 ILE A 733 17.596 -11.050 -12.791 1.00 0.00 H new ATOM 0 HD11 ILE A 733 18.422 -9.085 -16.395 1.00 0.00 H new ATOM 0 HD12 ILE A 733 16.678 -8.944 -16.071 1.00 0.00 H new ATOM 0 HD13 ILE A 733 17.840 -8.886 -14.725 1.00 0.00 H new ATOM 250 N VAL A 734 14.223 -13.354 -13.544 1.00 0.00 N ATOM 251 CA VAL A 734 13.325 -13.748 -12.462 1.00 0.00 C ATOM 252 C VAL A 734 13.556 -15.211 -12.070 1.00 0.00 C ATOM 253 O VAL A 734 13.480 -15.561 -10.889 1.00 0.00 O ATOM 254 CB VAL A 734 11.831 -13.508 -12.813 1.00 0.00 C ATOM 255 CG1 VAL A 734 11.346 -14.452 -13.900 1.00 0.00 C ATOM 256 CG2 VAL A 734 10.965 -13.629 -11.569 1.00 0.00 C ATOM 0 H VAL A 734 13.759 -13.116 -14.421 1.00 0.00 H new ATOM 0 HA VAL A 734 13.560 -13.112 -11.609 1.00 0.00 H new ATOM 0 HB VAL A 734 11.744 -12.494 -13.203 1.00 0.00 H new ATOM 0 HG11 VAL A 734 10.297 -14.251 -14.115 1.00 0.00 H new ATOM 0 HG12 VAL A 734 11.937 -14.301 -14.803 1.00 0.00 H new ATOM 0 HG13 VAL A 734 11.456 -15.483 -13.562 1.00 0.00 H new ATOM 0 HG21 VAL A 734 9.922 -13.458 -11.834 1.00 0.00 H new ATOM 0 HG22 VAL A 734 11.073 -14.628 -11.146 1.00 0.00 H new ATOM 0 HG23 VAL A 734 11.279 -12.888 -10.834 1.00 0.00 H new ATOM 266 N GLU A 735 13.870 -16.053 -13.056 1.00 0.00 N ATOM 267 CA GLU A 735 14.238 -17.439 -12.784 1.00 0.00 C ATOM 268 C GLU A 735 15.557 -17.477 -12.026 1.00 0.00 C ATOM 269 O GLU A 735 15.693 -18.166 -11.016 1.00 0.00 O ATOM 270 CB GLU A 735 14.373 -18.240 -14.082 1.00 0.00 C ATOM 271 CG GLU A 735 13.069 -18.430 -14.842 1.00 0.00 C ATOM 272 CD GLU A 735 13.230 -19.354 -16.032 1.00 0.00 C ATOM 273 OE1 GLU A 735 13.668 -18.886 -17.105 1.00 0.00 O ATOM 274 OE2 GLU A 735 12.933 -20.561 -15.897 1.00 0.00 O ATOM 0 H GLU A 735 13.876 -15.799 -14.044 1.00 0.00 H new ATOM 0 HA GLU A 735 13.449 -17.890 -12.182 1.00 0.00 H new ATOM 0 HB2 GLU A 735 15.088 -17.737 -14.732 1.00 0.00 H new ATOM 0 HB3 GLU A 735 14.789 -19.220 -13.848 1.00 0.00 H new ATOM 0 HG2 GLU A 735 12.314 -18.836 -14.169 1.00 0.00 H new ATOM 0 HG3 GLU A 735 12.705 -17.461 -15.183 1.00 0.00 H new ATOM 281 N PHE A 736 16.516 -16.711 -12.530 1.00 0.00 N ATOM 282 CA PHE A 736 17.840 -16.599 -11.932 1.00 0.00 C ATOM 283 C PHE A 736 17.761 -16.234 -10.450 1.00 0.00 C ATOM 284 O PHE A 736 18.467 -16.809 -9.621 1.00 0.00 O ATOM 285 CB PHE A 736 18.637 -15.546 -12.708 1.00 0.00 C ATOM 286 CG PHE A 736 19.886 -15.074 -12.025 1.00 0.00 C ATOM 287 CD1 PHE A 736 21.003 -15.885 -11.960 1.00 0.00 C ATOM 288 CD2 PHE A 736 19.943 -13.814 -11.456 1.00 0.00 C ATOM 289 CE1 PHE A 736 22.153 -15.450 -11.340 1.00 0.00 C ATOM 290 CE2 PHE A 736 21.093 -13.371 -10.837 1.00 0.00 C ATOM 291 CZ PHE A 736 22.201 -14.193 -10.778 1.00 0.00 C ATOM 0 H PHE A 736 16.396 -16.146 -13.371 1.00 0.00 H new ATOM 0 HA PHE A 736 18.341 -17.565 -11.992 1.00 0.00 H new ATOM 0 HB2 PHE A 736 18.905 -15.958 -13.681 1.00 0.00 H new ATOM 0 HB3 PHE A 736 17.993 -14.686 -12.892 1.00 0.00 H new ATOM 0 HD1 PHE A 736 20.974 -16.871 -12.400 1.00 0.00 H new ATOM 0 HD2 PHE A 736 19.077 -13.170 -11.497 1.00 0.00 H new ATOM 0 HE1 PHE A 736 23.018 -16.095 -11.294 1.00 0.00 H new ATOM 0 HE2 PHE A 736 21.127 -12.384 -10.400 1.00 0.00 H new ATOM 0 HZ PHE A 736 23.103 -13.851 -10.292 1.00 0.00 H new ATOM 301 N MET A 737 16.878 -15.300 -10.129 1.00 0.00 N ATOM 302 CA MET A 737 16.722 -14.808 -8.763 1.00 0.00 C ATOM 303 C MET A 737 16.307 -15.923 -7.806 1.00 0.00 C ATOM 304 O MET A 737 16.695 -15.926 -6.636 1.00 0.00 O ATOM 305 CB MET A 737 15.687 -13.680 -8.733 1.00 0.00 C ATOM 306 CG MET A 737 16.135 -12.426 -9.469 1.00 0.00 C ATOM 307 SD MET A 737 14.806 -11.232 -9.713 1.00 0.00 S ATOM 308 CE MET A 737 14.319 -10.902 -8.022 1.00 0.00 C ATOM 0 H MET A 737 16.250 -14.862 -10.803 1.00 0.00 H new ATOM 0 HA MET A 737 17.688 -14.428 -8.431 1.00 0.00 H new ATOM 0 HB2 MET A 737 14.757 -14.039 -9.175 1.00 0.00 H new ATOM 0 HB3 MET A 737 15.469 -13.425 -7.696 1.00 0.00 H new ATOM 0 HG2 MET A 737 16.942 -11.953 -8.909 1.00 0.00 H new ATOM 0 HG3 MET A 737 16.543 -12.708 -10.439 1.00 0.00 H new ATOM 0 HE1 MET A 737 13.647 -10.044 -7.998 1.00 0.00 H new ATOM 0 HE2 MET A 737 13.809 -11.774 -7.613 1.00 0.00 H new ATOM 0 HE3 MET A 737 15.204 -10.686 -7.424 1.00 0.00 H new ATOM 318 N ALA A 738 15.536 -16.878 -8.310 1.00 0.00 N ATOM 319 CA ALA A 738 15.024 -17.965 -7.484 1.00 0.00 C ATOM 320 C ALA A 738 15.833 -19.244 -7.679 1.00 0.00 C ATOM 321 O ALA A 738 15.529 -20.279 -7.083 1.00 0.00 O ATOM 322 CB ALA A 738 13.559 -18.214 -7.806 1.00 0.00 C ATOM 0 H ALA A 738 15.251 -16.922 -9.288 1.00 0.00 H new ATOM 0 HA ALA A 738 15.119 -17.669 -6.439 1.00 0.00 H new ATOM 0 HB1 ALA A 738 13.183 -19.027 -7.185 1.00 0.00 H new ATOM 0 HB2 ALA A 738 12.984 -17.310 -7.607 1.00 0.00 H new ATOM 0 HB3 ALA A 738 13.458 -18.484 -8.857 1.00 0.00 H new ATOM 328 N SER A 739 16.870 -19.168 -8.498 1.00 0.00 N ATOM 329 CA SER A 739 17.657 -20.345 -8.835 1.00 0.00 C ATOM 330 C SER A 739 18.930 -20.441 -8.000 1.00 0.00 C ATOM 331 O SER A 739 19.256 -19.537 -7.226 1.00 0.00 O ATOM 332 CB SER A 739 18.014 -20.332 -10.319 1.00 0.00 C ATOM 333 OG SER A 739 16.867 -20.517 -11.127 1.00 0.00 O ATOM 0 H SER A 739 17.186 -18.306 -8.941 1.00 0.00 H new ATOM 0 HA SER A 739 17.046 -21.219 -8.611 1.00 0.00 H new ATOM 0 HB2 SER A 739 18.490 -19.385 -10.572 1.00 0.00 H new ATOM 0 HB3 SER A 739 18.739 -21.119 -10.527 1.00 0.00 H new ATOM 0 HG SER A 739 16.175 -19.874 -10.865 1.00 0.00 H new ATOM 339 N LYS A 740 19.640 -21.555 -8.175 1.00 0.00 N ATOM 340 CA LYS A 740 20.915 -21.784 -7.506 1.00 0.00 C ATOM 341 C LYS A 740 22.016 -20.943 -8.141 1.00 0.00 C ATOM 342 O LYS A 740 23.068 -20.732 -7.540 1.00 0.00 O ATOM 343 CB LYS A 740 21.300 -23.268 -7.581 1.00 0.00 C ATOM 344 CG LYS A 740 21.234 -23.849 -8.990 1.00 0.00 C ATOM 345 CD LYS A 740 21.969 -25.180 -9.095 1.00 0.00 C ATOM 346 CE LYS A 740 23.479 -24.986 -9.075 1.00 0.00 C ATOM 347 NZ LYS A 740 24.210 -26.280 -9.125 1.00 0.00 N ATOM 0 H LYS A 740 19.347 -22.320 -8.783 1.00 0.00 H new ATOM 0 HA LYS A 740 20.803 -21.493 -6.462 1.00 0.00 H new ATOM 0 HB2 LYS A 740 22.311 -23.392 -7.194 1.00 0.00 H new ATOM 0 HB3 LYS A 740 20.638 -23.839 -6.931 1.00 0.00 H new ATOM 0 HG2 LYS A 740 20.191 -23.987 -9.276 1.00 0.00 H new ATOM 0 HG3 LYS A 740 21.667 -23.139 -9.695 1.00 0.00 H new ATOM 0 HD2 LYS A 740 21.673 -25.827 -8.269 1.00 0.00 H new ATOM 0 HD3 LYS A 740 21.678 -25.686 -10.016 1.00 0.00 H new ATOM 0 HE2 LYS A 740 23.776 -24.369 -9.923 1.00 0.00 H new ATOM 0 HE3 LYS A 740 23.763 -24.445 -8.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 25.234 -26.101 -9.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 23.947 -26.859 -8.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 23.960 -26.786 -9.999 1.00 0.00 H new ATOM 361 N LYS A 741 21.758 -20.474 -9.358 1.00 0.00 N ATOM 362 CA LYS A 741 22.725 -19.681 -10.108 1.00 0.00 C ATOM 363 C LYS A 741 23.111 -18.439 -9.315 1.00 0.00 C ATOM 364 O LYS A 741 22.286 -17.555 -9.127 1.00 0.00 O ATOM 365 CB LYS A 741 22.137 -19.224 -11.449 1.00 0.00 C ATOM 366 CG LYS A 741 21.260 -20.245 -12.160 1.00 0.00 C ATOM 367 CD LYS A 741 20.615 -19.629 -13.393 1.00 0.00 C ATOM 368 CE LYS A 741 19.419 -20.435 -13.881 1.00 0.00 C ATOM 369 NZ LYS A 741 19.803 -21.776 -14.393 1.00 0.00 N ATOM 0 H LYS A 741 20.878 -20.632 -9.849 1.00 0.00 H new ATOM 0 HA LYS A 741 23.599 -20.308 -10.285 1.00 0.00 H new ATOM 0 HB2 LYS A 741 21.550 -18.321 -11.280 1.00 0.00 H new ATOM 0 HB3 LYS A 741 22.958 -18.951 -12.112 1.00 0.00 H new ATOM 0 HG2 LYS A 741 21.859 -21.109 -12.449 1.00 0.00 H new ATOM 0 HG3 LYS A 741 20.488 -20.606 -11.480 1.00 0.00 H new ATOM 0 HD2 LYS A 741 20.296 -18.612 -13.164 1.00 0.00 H new ATOM 0 HD3 LYS A 741 21.354 -19.560 -14.191 1.00 0.00 H new ATOM 0 HE2 LYS A 741 18.707 -20.553 -13.064 1.00 0.00 H new ATOM 0 HE3 LYS A 741 18.910 -19.881 -14.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 741 18.952 -22.282 -14.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 741 20.461 -21.668 -15.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 741 20.264 -22.318 -13.635 1.00 0.00 H new ATOM 383 N MET A 742 24.347 -18.377 -8.840 1.00 0.00 N ATOM 384 CA MET A 742 24.823 -17.183 -8.149 1.00 0.00 C ATOM 385 C MET A 742 25.170 -16.104 -9.167 1.00 0.00 C ATOM 386 O MET A 742 25.192 -14.914 -8.853 1.00 0.00 O ATOM 387 CB MET A 742 26.038 -17.495 -7.267 1.00 0.00 C ATOM 388 CG MET A 742 27.265 -17.957 -8.038 1.00 0.00 C ATOM 389 SD MET A 742 28.689 -18.239 -6.968 1.00 0.00 S ATOM 390 CE MET A 742 29.921 -18.744 -8.166 1.00 0.00 C ATOM 0 H MET A 742 25.032 -19.128 -8.918 1.00 0.00 H new ATOM 0 HA MET A 742 24.026 -16.823 -7.498 1.00 0.00 H new ATOM 0 HB2 MET A 742 26.296 -16.604 -6.695 1.00 0.00 H new ATOM 0 HB3 MET A 742 25.763 -18.267 -6.548 1.00 0.00 H new ATOM 0 HG2 MET A 742 27.029 -18.877 -8.573 1.00 0.00 H new ATOM 0 HG3 MET A 742 27.521 -17.209 -8.788 1.00 0.00 H new ATOM 0 HE1 MET A 742 30.861 -18.954 -7.655 1.00 0.00 H new ATOM 0 HE2 MET A 742 29.580 -19.641 -8.682 1.00 0.00 H new ATOM 0 HE3 MET A 742 30.073 -17.944 -8.891 1.00 0.00 H new ATOM 400 N GLN A 743 25.430 -16.542 -10.392 1.00 0.00 N ATOM 401 CA GLN A 743 25.739 -15.645 -11.489 1.00 0.00 C ATOM 402 C GLN A 743 25.124 -16.178 -12.777 1.00 0.00 C ATOM 403 O GLN A 743 25.175 -17.379 -13.050 1.00 0.00 O ATOM 404 CB GLN A 743 27.256 -15.481 -11.649 1.00 0.00 C ATOM 405 CG GLN A 743 27.995 -16.789 -11.909 1.00 0.00 C ATOM 406 CD GLN A 743 29.488 -16.599 -12.104 1.00 0.00 C ATOM 407 OE1 GLN A 743 29.879 -15.450 -12.632 1.00 0.00 O flip ATOM 408 NE2 GLN A 743 30.284 -17.484 -11.789 1.00 0.00 N flip ATOM 0 H GLN A 743 25.432 -17.529 -10.649 1.00 0.00 H new ATOM 0 HA GLN A 743 25.316 -14.665 -11.269 1.00 0.00 H new ATOM 0 HB2 GLN A 743 27.452 -14.794 -12.472 1.00 0.00 H new ATOM 0 HB3 GLN A 743 27.659 -15.021 -10.747 1.00 0.00 H new ATOM 0 HG2 GLN A 743 27.827 -17.467 -11.072 1.00 0.00 H new ATOM 0 HG3 GLN A 743 27.576 -17.266 -12.795 1.00 0.00 H new ATOM 0 HE21 GLN A 743 29.943 -18.356 -11.385 1.00 0.00 H new ATOM 0 HE22 GLN A 743 31.284 -17.345 -11.932 1.00 0.00 H new ATOM 417 N LEU A 744 24.516 -15.292 -13.544 1.00 0.00 N ATOM 418 CA LEU A 744 23.906 -15.662 -14.805 1.00 0.00 C ATOM 419 C LEU A 744 24.767 -15.174 -15.955 1.00 0.00 C ATOM 420 O LEU A 744 24.831 -13.974 -16.236 1.00 0.00 O ATOM 421 CB LEU A 744 22.493 -15.083 -14.913 1.00 0.00 C ATOM 422 CG LEU A 744 21.688 -15.539 -16.135 1.00 0.00 C ATOM 423 CD1 LEU A 744 21.548 -17.054 -16.153 1.00 0.00 C ATOM 424 CD2 LEU A 744 20.315 -14.883 -16.137 1.00 0.00 C ATOM 0 H LEU A 744 24.432 -14.302 -13.312 1.00 0.00 H new ATOM 0 HA LEU A 744 23.832 -16.748 -14.853 1.00 0.00 H new ATOM 0 HB2 LEU A 744 21.939 -15.351 -14.013 1.00 0.00 H new ATOM 0 HB3 LEU A 744 22.565 -13.996 -14.931 1.00 0.00 H new ATOM 0 HG LEU A 744 22.225 -15.233 -17.033 1.00 0.00 H new ATOM 0 HD11 LEU A 744 20.973 -17.356 -17.029 1.00 0.00 H new ATOM 0 HD12 LEU A 744 22.537 -17.510 -16.193 1.00 0.00 H new ATOM 0 HD13 LEU A 744 21.033 -17.383 -15.250 1.00 0.00 H new ATOM 0 HD21 LEU A 744 19.754 -15.216 -17.010 1.00 0.00 H new ATOM 0 HD22 LEU A 744 19.777 -15.163 -15.232 1.00 0.00 H new ATOM 0 HD23 LEU A 744 20.429 -13.800 -16.171 1.00 0.00 H new ATOM 436 N GLU A 745 25.451 -16.111 -16.579 1.00 0.00 N ATOM 437 CA GLU A 745 26.302 -15.824 -17.720 1.00 0.00 C ATOM 438 C GLU A 745 25.488 -15.855 -19.003 1.00 0.00 C ATOM 439 O GLU A 745 24.940 -16.896 -19.379 1.00 0.00 O ATOM 440 CB GLU A 745 27.432 -16.849 -17.788 1.00 0.00 C ATOM 441 CG GLU A 745 28.341 -16.827 -16.570 1.00 0.00 C ATOM 442 CD GLU A 745 29.434 -15.789 -16.675 1.00 0.00 C ATOM 443 OE1 GLU A 745 29.118 -14.608 -16.897 1.00 0.00 O ATOM 444 OE2 GLU A 745 30.618 -16.157 -16.516 1.00 0.00 O ATOM 0 H GLU A 745 25.434 -17.095 -16.310 1.00 0.00 H new ATOM 0 HA GLU A 745 26.730 -14.828 -17.605 1.00 0.00 H new ATOM 0 HB2 GLU A 745 27.003 -17.845 -17.894 1.00 0.00 H new ATOM 0 HB3 GLU A 745 28.029 -16.662 -18.681 1.00 0.00 H new ATOM 0 HG2 GLU A 745 27.744 -16.630 -15.680 1.00 0.00 H new ATOM 0 HG3 GLU A 745 28.792 -17.811 -16.441 1.00 0.00 H new ATOM 451 N PHE A 746 25.385 -14.713 -19.655 1.00 0.00 N ATOM 452 CA PHE A 746 24.670 -14.624 -20.916 1.00 0.00 C ATOM 453 C PHE A 746 25.611 -14.876 -22.090 1.00 0.00 C ATOM 454 O PHE A 746 26.805 -14.582 -22.014 1.00 0.00 O ATOM 455 CB PHE A 746 24.012 -13.254 -21.070 1.00 0.00 C ATOM 456 CG PHE A 746 22.786 -13.060 -20.224 1.00 0.00 C ATOM 457 CD1 PHE A 746 21.540 -13.435 -20.701 1.00 0.00 C ATOM 458 CD2 PHE A 746 22.874 -12.492 -18.964 1.00 0.00 C ATOM 459 CE1 PHE A 746 20.405 -13.250 -19.936 1.00 0.00 C ATOM 460 CE2 PHE A 746 21.742 -12.301 -18.196 1.00 0.00 C ATOM 461 CZ PHE A 746 20.506 -12.680 -18.683 1.00 0.00 C ATOM 0 H PHE A 746 25.787 -13.833 -19.333 1.00 0.00 H new ATOM 0 HA PHE A 746 23.895 -15.390 -20.914 1.00 0.00 H new ATOM 0 HB2 PHE A 746 24.740 -12.483 -20.817 1.00 0.00 H new ATOM 0 HB3 PHE A 746 23.744 -13.108 -22.116 1.00 0.00 H new ATOM 0 HD1 PHE A 746 21.455 -13.877 -21.683 1.00 0.00 H new ATOM 0 HD2 PHE A 746 23.838 -12.195 -18.578 1.00 0.00 H new ATOM 0 HE1 PHE A 746 19.440 -13.551 -20.317 1.00 0.00 H new ATOM 0 HE2 PHE A 746 21.823 -11.856 -17.215 1.00 0.00 H new ATOM 0 HZ PHE A 746 19.620 -12.530 -18.084 1.00 0.00 H new ATOM 471 N PRO A 747 25.086 -15.433 -23.191 1.00 0.00 N ATOM 472 CA PRO A 747 25.864 -15.669 -24.406 1.00 0.00 C ATOM 473 C PRO A 747 26.237 -14.364 -25.108 1.00 0.00 C ATOM 474 O PRO A 747 25.567 -13.345 -24.940 1.00 0.00 O ATOM 475 CB PRO A 747 24.928 -16.497 -25.302 1.00 0.00 C ATOM 476 CG PRO A 747 23.781 -16.900 -24.437 1.00 0.00 C ATOM 477 CD PRO A 747 23.695 -15.883 -23.339 1.00 0.00 C ATOM 0 HA PRO A 747 26.806 -16.170 -24.184 1.00 0.00 H new ATOM 0 HB2 PRO A 747 24.586 -15.912 -26.156 1.00 0.00 H new ATOM 0 HB3 PRO A 747 25.442 -17.372 -25.701 1.00 0.00 H new ATOM 0 HG2 PRO A 747 22.855 -16.930 -25.011 1.00 0.00 H new ATOM 0 HG3 PRO A 747 23.936 -17.899 -24.029 1.00 0.00 H new ATOM 0 HD2 PRO A 747 23.031 -15.060 -23.603 1.00 0.00 H new ATOM 0 HD3 PRO A 747 23.312 -16.318 -22.416 1.00 0.00 H new ATOM 485 N PRO A 748 27.314 -14.379 -25.908 1.00 0.00 N ATOM 486 CA PRO A 748 27.737 -13.213 -26.690 1.00 0.00 C ATOM 487 C PRO A 748 26.731 -12.835 -27.783 1.00 0.00 C ATOM 488 O PRO A 748 26.905 -11.833 -28.476 1.00 0.00 O ATOM 489 CB PRO A 748 29.059 -13.652 -27.326 1.00 0.00 C ATOM 490 CG PRO A 748 29.057 -15.140 -27.271 1.00 0.00 C ATOM 491 CD PRO A 748 28.226 -15.521 -26.078 1.00 0.00 C ATOM 0 HA PRO A 748 27.823 -12.328 -26.060 1.00 0.00 H new ATOM 0 HB2 PRO A 748 29.136 -13.298 -28.354 1.00 0.00 H new ATOM 0 HB3 PRO A 748 29.910 -13.241 -26.783 1.00 0.00 H new ATOM 0 HG2 PRO A 748 28.639 -15.562 -28.185 1.00 0.00 H new ATOM 0 HG3 PRO A 748 30.072 -15.526 -27.176 1.00 0.00 H new ATOM 0 HD2 PRO A 748 27.679 -16.448 -26.251 1.00 0.00 H new ATOM 0 HD3 PRO A 748 28.843 -15.675 -25.193 1.00 0.00 H new ATOM 499 N SER A 749 25.686 -13.645 -27.925 1.00 0.00 N ATOM 500 CA SER A 749 24.637 -13.404 -28.913 1.00 0.00 C ATOM 501 C SER A 749 23.830 -12.145 -28.580 1.00 0.00 C ATOM 502 O SER A 749 23.116 -11.618 -29.433 1.00 0.00 O ATOM 503 CB SER A 749 23.707 -14.621 -29.001 1.00 0.00 C ATOM 504 OG SER A 749 22.728 -14.456 -30.016 1.00 0.00 O ATOM 0 H SER A 749 25.542 -14.483 -27.362 1.00 0.00 H new ATOM 0 HA SER A 749 25.116 -13.246 -29.879 1.00 0.00 H new ATOM 0 HB2 SER A 749 24.295 -15.516 -29.204 1.00 0.00 H new ATOM 0 HB3 SER A 749 23.215 -14.774 -28.041 1.00 0.00 H new ATOM 0 HG SER A 749 22.570 -13.500 -30.166 1.00 0.00 H new ATOM 510 N LEU A 750 23.944 -11.676 -27.345 1.00 0.00 N ATOM 511 CA LEU A 750 23.265 -10.457 -26.920 1.00 0.00 C ATOM 512 C LEU A 750 23.926 -9.233 -27.549 1.00 0.00 C ATOM 513 O LEU A 750 25.147 -9.069 -27.476 1.00 0.00 O ATOM 514 CB LEU A 750 23.297 -10.323 -25.393 1.00 0.00 C ATOM 515 CG LEU A 750 22.235 -11.121 -24.626 1.00 0.00 C ATOM 516 CD1 LEU A 750 22.452 -12.621 -24.772 1.00 0.00 C ATOM 517 CD2 LEU A 750 22.243 -10.720 -23.160 1.00 0.00 C ATOM 0 H LEU A 750 24.502 -12.122 -26.617 1.00 0.00 H new ATOM 0 HA LEU A 750 22.228 -10.517 -27.250 1.00 0.00 H new ATOM 0 HB2 LEU A 750 24.281 -10.634 -25.041 1.00 0.00 H new ATOM 0 HB3 LEU A 750 23.186 -9.269 -25.138 1.00 0.00 H new ATOM 0 HG LEU A 750 21.260 -10.888 -25.054 1.00 0.00 H new ATOM 0 HD11 LEU A 750 21.682 -13.156 -24.216 1.00 0.00 H new ATOM 0 HD12 LEU A 750 22.396 -12.896 -25.825 1.00 0.00 H new ATOM 0 HD13 LEU A 750 23.433 -12.887 -24.379 1.00 0.00 H new ATOM 0 HD21 LEU A 750 21.486 -11.291 -22.622 1.00 0.00 H new ATOM 0 HD22 LEU A 750 23.224 -10.925 -22.732 1.00 0.00 H new ATOM 0 HD23 LEU A 750 22.024 -9.656 -23.073 1.00 0.00 H new ATOM 529 N ASN A 751 23.127 -8.383 -28.176 1.00 0.00 N ATOM 530 CA ASN A 751 23.640 -7.133 -28.727 1.00 0.00 C ATOM 531 C ASN A 751 23.456 -6.010 -27.710 1.00 0.00 C ATOM 532 O ASN A 751 22.994 -6.255 -26.596 1.00 0.00 O ATOM 533 CB ASN A 751 22.958 -6.779 -30.064 1.00 0.00 C ATOM 534 CG ASN A 751 21.610 -6.087 -29.916 1.00 0.00 C ATOM 535 OD1 ASN A 751 21.531 -4.860 -29.884 1.00 0.00 O ATOM 536 ND2 ASN A 751 20.545 -6.860 -29.827 1.00 0.00 N ATOM 0 H ASN A 751 22.128 -8.532 -28.317 1.00 0.00 H new ATOM 0 HA ASN A 751 24.703 -7.259 -28.933 1.00 0.00 H new ATOM 0 HB2 ASN A 751 23.623 -6.134 -30.638 1.00 0.00 H new ATOM 0 HB3 ASN A 751 22.823 -7.693 -30.642 1.00 0.00 H new ATOM 0 HD21 ASN A 751 19.619 -6.443 -29.728 1.00 0.00 H new ATOM 0 HD22 ASN A 751 20.647 -7.874 -29.857 1.00 0.00 H new ATOM 543 N SER A 752 23.818 -4.790 -28.090 1.00 0.00 N ATOM 544 CA SER A 752 23.744 -3.645 -27.187 1.00 0.00 C ATOM 545 C SER A 752 22.343 -3.495 -26.594 1.00 0.00 C ATOM 546 O SER A 752 22.197 -3.240 -25.400 1.00 0.00 O ATOM 547 CB SER A 752 24.143 -2.365 -27.925 1.00 0.00 C ATOM 548 OG SER A 752 24.267 -1.272 -27.029 1.00 0.00 O ATOM 0 H SER A 752 24.167 -4.567 -29.022 1.00 0.00 H new ATOM 0 HA SER A 752 24.440 -3.818 -26.367 1.00 0.00 H new ATOM 0 HB2 SER A 752 25.088 -2.522 -28.444 1.00 0.00 H new ATOM 0 HB3 SER A 752 23.397 -2.133 -28.685 1.00 0.00 H new ATOM 0 HG SER A 752 24.524 -0.468 -27.527 1.00 0.00 H new ATOM 554 N HIS A 753 21.322 -3.683 -27.424 1.00 0.00 N ATOM 555 CA HIS A 753 19.938 -3.571 -26.975 1.00 0.00 C ATOM 556 C HIS A 753 19.611 -4.662 -25.959 1.00 0.00 C ATOM 557 O HIS A 753 19.003 -4.393 -24.923 1.00 0.00 O ATOM 558 CB HIS A 753 18.974 -3.661 -28.166 1.00 0.00 C ATOM 559 CG HIS A 753 17.525 -3.635 -27.771 1.00 0.00 C ATOM 560 ND1 HIS A 753 16.736 -4.762 -27.669 1.00 0.00 N ATOM 561 CD2 HIS A 753 16.728 -2.590 -27.435 1.00 0.00 C ATOM 562 CE1 HIS A 753 15.513 -4.375 -27.283 1.00 0.00 C ATOM 563 NE2 HIS A 753 15.457 -3.065 -27.125 1.00 0.00 N ATOM 0 H HIS A 753 21.427 -3.914 -28.412 1.00 0.00 H new ATOM 0 HA HIS A 753 19.817 -2.599 -26.497 1.00 0.00 H new ATOM 0 HB2 HIS A 753 19.171 -2.832 -28.846 1.00 0.00 H new ATOM 0 HB3 HIS A 753 19.175 -4.580 -28.717 1.00 0.00 H new ATOM 0 HD2 HIS A 753 17.032 -1.554 -27.412 1.00 0.00 H new ATOM 0 HE1 HIS A 753 14.682 -5.046 -27.122 1.00 0.00 H new ATOM 0 HE2 HIS A 753 14.649 -2.515 -26.835 1.00 0.00 H new ATOM 571 N ASP A 754 20.019 -5.890 -26.264 1.00 0.00 N ATOM 572 CA ASP A 754 19.732 -7.031 -25.399 1.00 0.00 C ATOM 573 C ASP A 754 20.383 -6.832 -24.041 1.00 0.00 C ATOM 574 O ASP A 754 19.776 -7.085 -22.998 1.00 0.00 O ATOM 575 CB ASP A 754 20.241 -8.334 -26.018 1.00 0.00 C ATOM 576 CG ASP A 754 19.722 -8.572 -27.421 1.00 0.00 C ATOM 577 OD1 ASP A 754 18.544 -8.263 -27.692 1.00 0.00 O ATOM 578 OD2 ASP A 754 20.504 -9.065 -28.263 1.00 0.00 O ATOM 0 H ASP A 754 20.550 -6.121 -27.104 1.00 0.00 H new ATOM 0 HA ASP A 754 18.650 -7.099 -25.283 1.00 0.00 H new ATOM 0 HB2 ASP A 754 21.331 -8.317 -26.039 1.00 0.00 H new ATOM 0 HB3 ASP A 754 19.947 -9.169 -25.382 1.00 0.00 H new ATOM 583 N ARG A 755 21.623 -6.364 -24.062 1.00 0.00 N ATOM 584 CA ARG A 755 22.350 -6.085 -22.836 1.00 0.00 C ATOM 585 C ARG A 755 21.678 -4.949 -22.081 1.00 0.00 C ATOM 586 O ARG A 755 21.448 -5.054 -20.881 1.00 0.00 O ATOM 587 CB ARG A 755 23.806 -5.733 -23.141 1.00 0.00 C ATOM 588 CG ARG A 755 24.512 -6.789 -23.971 1.00 0.00 C ATOM 589 CD ARG A 755 25.957 -6.415 -24.248 1.00 0.00 C ATOM 590 NE ARG A 755 26.542 -7.263 -25.282 1.00 0.00 N ATOM 591 CZ ARG A 755 27.402 -8.251 -25.051 1.00 0.00 C ATOM 592 NH1 ARG A 755 27.776 -8.541 -23.807 1.00 0.00 N ATOM 593 NH2 ARG A 755 27.878 -8.961 -26.064 1.00 0.00 N ATOM 0 H ARG A 755 22.145 -6.170 -24.916 1.00 0.00 H new ATOM 0 HA ARG A 755 22.339 -6.979 -22.213 1.00 0.00 H new ATOM 0 HB2 ARG A 755 23.840 -4.781 -23.670 1.00 0.00 H new ATOM 0 HB3 ARG A 755 24.345 -5.596 -22.203 1.00 0.00 H new ATOM 0 HG2 ARG A 755 24.478 -7.745 -23.448 1.00 0.00 H new ATOM 0 HG3 ARG A 755 23.984 -6.923 -24.915 1.00 0.00 H new ATOM 0 HD2 ARG A 755 26.010 -5.372 -24.559 1.00 0.00 H new ATOM 0 HD3 ARG A 755 26.539 -6.504 -23.331 1.00 0.00 H new ATOM 0 HE ARG A 755 26.272 -7.085 -26.250 1.00 0.00 H new ATOM 0 HH11 ARG A 755 27.403 -8.004 -23.024 1.00 0.00 H new ATOM 0 HH12 ARG A 755 28.436 -9.300 -23.637 1.00 0.00 H new ATOM 0 HH21 ARG A 755 27.585 -8.749 -27.018 1.00 0.00 H new ATOM 0 HH22 ARG A 755 28.538 -9.719 -25.890 1.00 0.00 H new ATOM 607 N LEU A 756 21.342 -3.879 -22.803 1.00 0.00 N ATOM 608 CA LEU A 756 20.648 -2.729 -22.222 1.00 0.00 C ATOM 609 C LEU A 756 19.392 -3.179 -21.485 1.00 0.00 C ATOM 610 O LEU A 756 19.076 -2.677 -20.406 1.00 0.00 O ATOM 611 CB LEU A 756 20.266 -1.734 -23.323 1.00 0.00 C ATOM 612 CG LEU A 756 19.563 -0.460 -22.850 1.00 0.00 C ATOM 613 CD1 LEU A 756 20.486 0.379 -21.978 1.00 0.00 C ATOM 614 CD2 LEU A 756 19.070 0.343 -24.044 1.00 0.00 C ATOM 0 H LEU A 756 21.541 -3.785 -23.799 1.00 0.00 H new ATOM 0 HA LEU A 756 21.320 -2.245 -21.513 1.00 0.00 H new ATOM 0 HB2 LEU A 756 21.171 -1.450 -23.860 1.00 0.00 H new ATOM 0 HB3 LEU A 756 19.617 -2.241 -24.037 1.00 0.00 H new ATOM 0 HG LEU A 756 18.702 -0.746 -22.245 1.00 0.00 H new ATOM 0 HD11 LEU A 756 19.963 1.279 -21.655 1.00 0.00 H new ATOM 0 HD12 LEU A 756 20.787 -0.200 -21.104 1.00 0.00 H new ATOM 0 HD13 LEU A 756 21.371 0.659 -22.549 1.00 0.00 H new ATOM 0 HD21 LEU A 756 18.572 1.247 -23.694 1.00 0.00 H new ATOM 0 HD22 LEU A 756 19.917 0.616 -24.673 1.00 0.00 H new ATOM 0 HD23 LEU A 756 18.368 -0.258 -24.622 1.00 0.00 H new ATOM 626 N ARG A 757 18.684 -4.125 -22.086 1.00 0.00 N ATOM 627 CA ARG A 757 17.504 -4.714 -21.483 1.00 0.00 C ATOM 628 C ARG A 757 17.852 -5.325 -20.129 1.00 0.00 C ATOM 629 O ARG A 757 17.206 -5.036 -19.122 1.00 0.00 O ATOM 630 CB ARG A 757 16.936 -5.791 -22.409 1.00 0.00 C ATOM 631 CG ARG A 757 15.602 -6.362 -21.964 1.00 0.00 C ATOM 632 CD ARG A 757 14.437 -5.462 -22.358 1.00 0.00 C ATOM 633 NE ARG A 757 14.336 -4.249 -21.543 1.00 0.00 N ATOM 634 CZ ARG A 757 13.201 -3.832 -20.983 1.00 0.00 C ATOM 635 NH1 ARG A 757 12.102 -4.567 -21.086 1.00 0.00 N ATOM 636 NH2 ARG A 757 13.165 -2.683 -20.319 1.00 0.00 N ATOM 0 H ARG A 757 18.914 -4.503 -23.005 1.00 0.00 H new ATOM 0 HA ARG A 757 16.756 -3.935 -21.334 1.00 0.00 H new ATOM 0 HB2 ARG A 757 16.822 -5.370 -23.408 1.00 0.00 H new ATOM 0 HB3 ARG A 757 17.658 -6.604 -22.486 1.00 0.00 H new ATOM 0 HG2 ARG A 757 15.464 -7.349 -22.406 1.00 0.00 H new ATOM 0 HG3 ARG A 757 15.607 -6.496 -20.882 1.00 0.00 H new ATOM 0 HD2 ARG A 757 14.544 -5.179 -23.405 1.00 0.00 H new ATOM 0 HD3 ARG A 757 13.508 -6.026 -22.274 1.00 0.00 H new ATOM 0 HE ARG A 757 15.179 -3.694 -21.396 1.00 0.00 H new ATOM 0 HH11 ARG A 757 12.126 -5.451 -21.594 1.00 0.00 H new ATOM 0 HH12 ARG A 757 11.233 -4.248 -20.657 1.00 0.00 H new ATOM 0 HH21 ARG A 757 14.008 -2.115 -20.236 1.00 0.00 H new ATOM 0 HH22 ARG A 757 12.294 -2.368 -19.892 1.00 0.00 H new ATOM 650 N VAL A 758 18.894 -6.148 -20.116 1.00 0.00 N ATOM 651 CA VAL A 758 19.332 -6.821 -18.899 1.00 0.00 C ATOM 652 C VAL A 758 19.793 -5.815 -17.843 1.00 0.00 C ATOM 653 O VAL A 758 19.378 -5.894 -16.684 1.00 0.00 O ATOM 654 CB VAL A 758 20.477 -7.817 -19.184 1.00 0.00 C ATOM 655 CG1 VAL A 758 20.896 -8.539 -17.910 1.00 0.00 C ATOM 656 CG2 VAL A 758 20.061 -8.820 -20.248 1.00 0.00 C ATOM 0 H VAL A 758 19.454 -6.366 -20.940 1.00 0.00 H new ATOM 0 HA VAL A 758 18.471 -7.371 -18.518 1.00 0.00 H new ATOM 0 HB VAL A 758 21.332 -7.252 -19.555 1.00 0.00 H new ATOM 0 HG11 VAL A 758 21.704 -9.235 -18.135 1.00 0.00 H new ATOM 0 HG12 VAL A 758 21.239 -7.811 -17.175 1.00 0.00 H new ATOM 0 HG13 VAL A 758 20.045 -9.088 -17.507 1.00 0.00 H new ATOM 0 HG21 VAL A 758 20.881 -9.513 -20.435 1.00 0.00 H new ATOM 0 HG22 VAL A 758 19.188 -9.375 -19.904 1.00 0.00 H new ATOM 0 HG23 VAL A 758 19.815 -8.292 -21.169 1.00 0.00 H new ATOM 666 N HIS A 759 20.638 -4.864 -18.254 1.00 0.00 N ATOM 667 CA HIS A 759 21.153 -3.842 -17.341 1.00 0.00 C ATOM 668 C HIS A 759 20.002 -3.097 -16.672 1.00 0.00 C ATOM 669 O HIS A 759 19.999 -2.913 -15.458 1.00 0.00 O ATOM 670 CB HIS A 759 22.059 -2.836 -18.074 1.00 0.00 C ATOM 671 CG HIS A 759 23.362 -3.403 -18.575 1.00 0.00 C ATOM 672 ND1 HIS A 759 24.381 -3.739 -17.718 1.00 0.00 N ATOM 673 CD2 HIS A 759 23.763 -3.653 -19.844 1.00 0.00 C ATOM 674 CE1 HIS A 759 25.363 -4.184 -18.473 1.00 0.00 C ATOM 675 NE2 HIS A 759 25.041 -4.149 -19.773 1.00 0.00 N ATOM 0 H HIS A 759 20.979 -4.782 -19.212 1.00 0.00 H new ATOM 0 HA HIS A 759 21.747 -4.351 -16.582 1.00 0.00 H new ATOM 0 HB2 HIS A 759 21.509 -2.424 -18.920 1.00 0.00 H new ATOM 0 HB3 HIS A 759 22.276 -2.007 -17.401 1.00 0.00 H new ATOM 0 HD1 HIS A 759 24.378 -3.660 -16.701 1.00 0.00 H new ATOM 0 HD2 HIS A 759 23.186 -3.492 -20.743 1.00 0.00 H new ATOM 0 HE1 HIS A 759 26.311 -4.534 -18.092 1.00 0.00 H new ATOM 683 N GLN A 760 19.018 -2.690 -17.471 1.00 0.00 N ATOM 684 CA GLN A 760 17.838 -1.994 -16.961 1.00 0.00 C ATOM 685 C GLN A 760 17.116 -2.817 -15.897 1.00 0.00 C ATOM 686 O GLN A 760 16.860 -2.338 -14.791 1.00 0.00 O ATOM 687 CB GLN A 760 16.869 -1.697 -18.104 1.00 0.00 C ATOM 688 CG GLN A 760 17.249 -0.496 -18.953 1.00 0.00 C ATOM 689 CD GLN A 760 16.341 -0.342 -20.158 1.00 0.00 C ATOM 690 OE1 GLN A 760 15.185 -0.769 -20.141 1.00 0.00 O ATOM 691 NE2 GLN A 760 16.851 0.276 -21.209 1.00 0.00 N ATOM 0 H GLN A 760 19.015 -2.831 -18.481 1.00 0.00 H new ATOM 0 HA GLN A 760 18.178 -1.063 -16.507 1.00 0.00 H new ATOM 0 HB2 GLN A 760 16.804 -2.575 -18.747 1.00 0.00 H new ATOM 0 HB3 GLN A 760 15.875 -1.533 -17.688 1.00 0.00 H new ATOM 0 HG2 GLN A 760 17.201 0.407 -18.345 1.00 0.00 H new ATOM 0 HG3 GLN A 760 18.281 -0.601 -19.288 1.00 0.00 H new ATOM 0 HE21 GLN A 760 17.813 0.615 -21.184 1.00 0.00 H new ATOM 0 HE22 GLN A 760 16.283 0.414 -22.045 1.00 0.00 H new ATOM 700 N ILE A 761 16.799 -4.059 -16.242 1.00 0.00 N ATOM 701 CA ILE A 761 16.020 -4.925 -15.370 1.00 0.00 C ATOM 702 C ILE A 761 16.783 -5.256 -14.089 1.00 0.00 C ATOM 703 O ILE A 761 16.241 -5.146 -12.990 1.00 0.00 O ATOM 704 CB ILE A 761 15.631 -6.226 -16.097 1.00 0.00 C ATOM 705 CG1 ILE A 761 14.792 -5.900 -17.333 1.00 0.00 C ATOM 706 CG2 ILE A 761 14.867 -7.158 -15.162 1.00 0.00 C ATOM 707 CD1 ILE A 761 14.649 -7.060 -18.293 1.00 0.00 C ATOM 0 H ILE A 761 17.072 -4.490 -17.125 1.00 0.00 H new ATOM 0 HA ILE A 761 15.113 -4.384 -15.100 1.00 0.00 H new ATOM 0 HB ILE A 761 16.541 -6.736 -16.413 1.00 0.00 H new ATOM 0 HG12 ILE A 761 13.800 -5.579 -17.014 1.00 0.00 H new ATOM 0 HG13 ILE A 761 15.245 -5.059 -17.858 1.00 0.00 H new ATOM 0 HG21 ILE A 761 14.602 -8.071 -15.695 1.00 0.00 H new ATOM 0 HG22 ILE A 761 15.493 -7.407 -14.305 1.00 0.00 H new ATOM 0 HG23 ILE A 761 13.959 -6.663 -14.816 1.00 0.00 H new ATOM 0 HD11 ILE A 761 14.042 -6.754 -19.145 1.00 0.00 H new ATOM 0 HD12 ILE A 761 15.635 -7.367 -18.642 1.00 0.00 H new ATOM 0 HD13 ILE A 761 14.167 -7.895 -17.785 1.00 0.00 H new ATOM 719 N ALA A 762 18.047 -5.636 -14.233 1.00 0.00 N ATOM 720 CA ALA A 762 18.866 -6.001 -13.085 1.00 0.00 C ATOM 721 C ALA A 762 19.063 -4.809 -12.158 1.00 0.00 C ATOM 722 O ALA A 762 19.071 -4.957 -10.934 1.00 0.00 O ATOM 723 CB ALA A 762 20.211 -6.554 -13.542 1.00 0.00 C ATOM 0 H ALA A 762 18.526 -5.699 -15.131 1.00 0.00 H new ATOM 0 HA ALA A 762 18.344 -6.780 -12.529 1.00 0.00 H new ATOM 0 HB1 ALA A 762 20.809 -6.821 -12.671 1.00 0.00 H new ATOM 0 HB2 ALA A 762 20.050 -7.439 -14.157 1.00 0.00 H new ATOM 0 HB3 ALA A 762 20.736 -5.797 -14.125 1.00 0.00 H new ATOM 729 N GLU A 763 19.194 -3.626 -12.751 1.00 0.00 N ATOM 730 CA GLU A 763 19.378 -2.395 -11.997 1.00 0.00 C ATOM 731 C GLU A 763 18.130 -2.073 -11.174 1.00 0.00 C ATOM 732 O GLU A 763 18.229 -1.634 -10.027 1.00 0.00 O ATOM 733 CB GLU A 763 19.715 -1.246 -12.958 1.00 0.00 C ATOM 734 CG GLU A 763 20.155 0.037 -12.278 1.00 0.00 C ATOM 735 CD GLU A 763 20.743 1.031 -13.260 1.00 0.00 C ATOM 736 OE1 GLU A 763 19.979 1.629 -14.045 1.00 0.00 O ATOM 737 OE2 GLU A 763 21.978 1.227 -13.250 1.00 0.00 O ATOM 0 H GLU A 763 19.175 -3.496 -13.763 1.00 0.00 H new ATOM 0 HA GLU A 763 20.208 -2.525 -11.302 1.00 0.00 H new ATOM 0 HB2 GLU A 763 20.506 -1.574 -13.633 1.00 0.00 H new ATOM 0 HB3 GLU A 763 18.840 -1.035 -13.572 1.00 0.00 H new ATOM 0 HG2 GLU A 763 19.302 0.489 -11.772 1.00 0.00 H new ATOM 0 HG3 GLU A 763 20.894 -0.195 -11.511 1.00 0.00 H new ATOM 744 N GLU A 764 16.958 -2.315 -11.755 1.00 0.00 N ATOM 745 CA GLU A 764 15.697 -2.075 -11.062 1.00 0.00 C ATOM 746 C GLU A 764 15.442 -3.141 -9.998 1.00 0.00 C ATOM 747 O GLU A 764 14.959 -2.836 -8.904 1.00 0.00 O ATOM 748 CB GLU A 764 14.529 -2.029 -12.058 1.00 0.00 C ATOM 749 CG GLU A 764 13.171 -1.913 -11.385 1.00 0.00 C ATOM 750 CD GLU A 764 12.060 -1.538 -12.340 1.00 0.00 C ATOM 751 OE1 GLU A 764 11.424 -2.442 -12.918 1.00 0.00 O ATOM 752 OE2 GLU A 764 11.804 -0.328 -12.499 1.00 0.00 O ATOM 0 H GLU A 764 16.856 -2.677 -12.703 1.00 0.00 H new ATOM 0 HA GLU A 764 15.770 -1.107 -10.566 1.00 0.00 H new ATOM 0 HB2 GLU A 764 14.667 -1.183 -12.731 1.00 0.00 H new ATOM 0 HB3 GLU A 764 14.547 -2.930 -12.671 1.00 0.00 H new ATOM 0 HG2 GLU A 764 12.927 -2.863 -10.909 1.00 0.00 H new ATOM 0 HG3 GLU A 764 13.228 -1.166 -10.594 1.00 0.00 H new ATOM 759 N HIS A 765 15.769 -4.388 -10.317 1.00 0.00 N ATOM 760 CA HIS A 765 15.559 -5.492 -9.387 1.00 0.00 C ATOM 761 C HIS A 765 16.526 -5.411 -8.213 1.00 0.00 C ATOM 762 O HIS A 765 16.172 -5.750 -7.085 1.00 0.00 O ATOM 763 CB HIS A 765 15.693 -6.839 -10.104 1.00 0.00 C ATOM 764 CG HIS A 765 14.489 -7.213 -10.921 1.00 0.00 C ATOM 765 ND1 HIS A 765 14.005 -8.498 -11.027 1.00 0.00 N ATOM 766 CD2 HIS A 765 13.663 -6.442 -11.678 1.00 0.00 C ATOM 767 CE1 HIS A 765 12.930 -8.472 -11.825 1.00 0.00 C ATOM 768 NE2 HIS A 765 12.678 -7.245 -12.246 1.00 0.00 N ATOM 0 H HIS A 765 16.180 -4.660 -11.210 1.00 0.00 H new ATOM 0 HA HIS A 765 14.545 -5.411 -8.995 1.00 0.00 H new ATOM 0 HB2 HIS A 765 16.567 -6.808 -10.755 1.00 0.00 H new ATOM 0 HB3 HIS A 765 15.874 -7.618 -9.363 1.00 0.00 H new ATOM 0 HD1 HIS A 765 14.397 -9.325 -10.576 1.00 0.00 H new ATOM 0 HD2 HIS A 765 13.757 -5.375 -11.817 1.00 0.00 H new ATOM 0 HE1 HIS A 765 12.345 -9.340 -12.090 1.00 0.00 H new ATOM 776 N GLY A 766 17.739 -4.947 -8.477 1.00 0.00 N ATOM 777 CA GLY A 766 18.702 -4.762 -7.410 1.00 0.00 C ATOM 778 C GLY A 766 19.811 -5.793 -7.431 1.00 0.00 C ATOM 779 O GLY A 766 20.342 -6.162 -6.384 1.00 0.00 O ATOM 0 H GLY A 766 18.073 -4.696 -9.407 1.00 0.00 H new ATOM 0 HA2 GLY A 766 19.137 -3.766 -7.489 1.00 0.00 H new ATOM 0 HA3 GLY A 766 18.187 -4.809 -6.450 1.00 0.00 H new ATOM 783 N LEU A 767 20.161 -6.258 -8.620 1.00 0.00 N ATOM 784 CA LEU A 767 21.223 -7.242 -8.774 1.00 0.00 C ATOM 785 C LEU A 767 22.416 -6.595 -9.462 1.00 0.00 C ATOM 786 O LEU A 767 22.289 -5.514 -10.039 1.00 0.00 O ATOM 787 CB LEU A 767 20.730 -8.440 -9.592 1.00 0.00 C ATOM 788 CG LEU A 767 19.394 -9.034 -9.140 1.00 0.00 C ATOM 789 CD1 LEU A 767 18.928 -10.092 -10.127 1.00 0.00 C ATOM 790 CD2 LEU A 767 19.508 -9.621 -7.741 1.00 0.00 C ATOM 0 H LEU A 767 19.724 -5.969 -9.495 1.00 0.00 H new ATOM 0 HA LEU A 767 21.522 -7.599 -7.789 1.00 0.00 H new ATOM 0 HB2 LEU A 767 20.639 -8.135 -10.634 1.00 0.00 H new ATOM 0 HB3 LEU A 767 21.488 -9.222 -9.554 1.00 0.00 H new ATOM 0 HG LEU A 767 18.654 -8.234 -9.111 1.00 0.00 H new ATOM 0 HD11 LEU A 767 17.977 -10.507 -9.794 1.00 0.00 H new ATOM 0 HD12 LEU A 767 18.802 -9.641 -11.111 1.00 0.00 H new ATOM 0 HD13 LEU A 767 19.670 -10.888 -10.185 1.00 0.00 H new ATOM 0 HD21 LEU A 767 18.546 -10.037 -7.442 1.00 0.00 H new ATOM 0 HD22 LEU A 767 20.261 -10.409 -7.737 1.00 0.00 H new ATOM 0 HD23 LEU A 767 19.798 -8.838 -7.040 1.00 0.00 H new ATOM 802 N ARG A 768 23.568 -7.242 -9.405 1.00 0.00 N ATOM 803 CA ARG A 768 24.765 -6.693 -10.023 1.00 0.00 C ATOM 804 C ARG A 768 24.856 -7.141 -11.473 1.00 0.00 C ATOM 805 O ARG A 768 24.683 -8.317 -11.778 1.00 0.00 O ATOM 806 CB ARG A 768 26.023 -7.127 -9.271 1.00 0.00 C ATOM 807 CG ARG A 768 27.274 -6.399 -9.733 1.00 0.00 C ATOM 808 CD ARG A 768 28.535 -6.972 -9.108 1.00 0.00 C ATOM 809 NE ARG A 768 29.720 -6.204 -9.489 1.00 0.00 N ATOM 810 CZ ARG A 768 30.465 -6.461 -10.567 1.00 0.00 C ATOM 811 NH1 ARG A 768 30.153 -7.472 -11.370 1.00 0.00 N ATOM 812 NH2 ARG A 768 31.522 -5.702 -10.844 1.00 0.00 N ATOM 0 H ARG A 768 23.701 -8.141 -8.941 1.00 0.00 H new ATOM 0 HA ARG A 768 24.697 -5.606 -9.981 1.00 0.00 H new ATOM 0 HB2 ARG A 768 25.880 -6.951 -8.205 1.00 0.00 H new ATOM 0 HB3 ARG A 768 26.165 -8.200 -9.401 1.00 0.00 H new ATOM 0 HG2 ARG A 768 27.348 -6.461 -10.819 1.00 0.00 H new ATOM 0 HG3 ARG A 768 27.192 -5.342 -9.479 1.00 0.00 H new ATOM 0 HD2 ARG A 768 28.435 -6.974 -8.023 1.00 0.00 H new ATOM 0 HD3 ARG A 768 28.657 -8.009 -9.419 1.00 0.00 H new ATOM 0 HE ARG A 768 29.995 -5.423 -8.894 1.00 0.00 H new ATOM 0 HH11 ARG A 768 29.342 -8.055 -11.164 1.00 0.00 H new ATOM 0 HH12 ARG A 768 30.725 -7.665 -12.192 1.00 0.00 H new ATOM 0 HH21 ARG A 768 31.764 -4.922 -10.233 1.00 0.00 H new ATOM 0 HH22 ARG A 768 32.090 -5.900 -11.668 1.00 0.00 H new ATOM 826 N HIS A 769 25.133 -6.203 -12.358 1.00 0.00 N ATOM 827 CA HIS A 769 25.204 -6.487 -13.784 1.00 0.00 C ATOM 828 C HIS A 769 26.439 -5.844 -14.396 1.00 0.00 C ATOM 829 O HIS A 769 26.715 -4.666 -14.166 1.00 0.00 O ATOM 830 CB HIS A 769 23.931 -5.999 -14.486 1.00 0.00 C ATOM 831 CG HIS A 769 23.497 -4.618 -14.082 1.00 0.00 C ATOM 832 ND1 HIS A 769 23.646 -3.549 -14.921 1.00 0.00 N ATOM 833 CD2 HIS A 769 22.918 -4.196 -12.931 1.00 0.00 C ATOM 834 CE1 HIS A 769 23.159 -2.508 -14.280 1.00 0.00 C ATOM 835 NE2 HIS A 769 22.705 -2.848 -13.066 1.00 0.00 N ATOM 0 H HIS A 769 25.314 -5.229 -12.115 1.00 0.00 H new ATOM 0 HA HIS A 769 25.281 -7.566 -13.922 1.00 0.00 H new ATOM 0 HB2 HIS A 769 24.094 -6.016 -15.564 1.00 0.00 H new ATOM 0 HB3 HIS A 769 23.122 -6.698 -14.275 1.00 0.00 H new ATOM 0 HD2 HIS A 769 22.672 -4.804 -12.073 1.00 0.00 H new ATOM 0 HE1 HIS A 769 23.129 -1.506 -14.682 1.00 0.00 H new ATOM 0 HE2 HIS A 769 22.283 -2.226 -12.377 1.00 0.00 H new ATOM 843 N ASP A 770 27.189 -6.626 -15.154 1.00 0.00 N ATOM 844 CA ASP A 770 28.429 -6.149 -15.760 1.00 0.00 C ATOM 845 C ASP A 770 28.769 -6.955 -16.997 1.00 0.00 C ATOM 846 O ASP A 770 28.483 -8.149 -17.068 1.00 0.00 O ATOM 847 CB ASP A 770 29.578 -6.239 -14.752 1.00 0.00 C ATOM 848 CG ASP A 770 30.925 -5.912 -15.365 1.00 0.00 C ATOM 849 OD1 ASP A 770 31.197 -4.718 -15.606 1.00 0.00 O ATOM 850 OD2 ASP A 770 31.721 -6.849 -15.589 1.00 0.00 O ATOM 0 H ASP A 770 26.963 -7.598 -15.367 1.00 0.00 H new ATOM 0 HA ASP A 770 28.286 -5.108 -16.051 1.00 0.00 H new ATOM 0 HB2 ASP A 770 29.385 -5.555 -13.926 1.00 0.00 H new ATOM 0 HB3 ASP A 770 29.609 -7.245 -14.333 1.00 0.00 H new ATOM 855 N SER A 771 29.367 -6.297 -17.974 1.00 0.00 N ATOM 856 CA SER A 771 29.801 -6.971 -19.174 1.00 0.00 C ATOM 857 C SER A 771 31.308 -7.143 -19.151 1.00 0.00 C ATOM 858 O SER A 771 32.058 -6.180 -18.989 1.00 0.00 O ATOM 859 CB SER A 771 29.399 -6.192 -20.411 1.00 0.00 C ATOM 860 OG SER A 771 28.064 -5.725 -20.322 1.00 0.00 O ATOM 0 H SER A 771 29.561 -5.296 -17.955 1.00 0.00 H new ATOM 0 HA SER A 771 29.319 -7.948 -19.209 1.00 0.00 H new ATOM 0 HB2 SER A 771 30.073 -5.346 -20.544 1.00 0.00 H new ATOM 0 HB3 SER A 771 29.506 -6.826 -21.291 1.00 0.00 H new ATOM 0 HG SER A 771 27.837 -5.226 -21.134 1.00 0.00 H new ATOM 976 N PHE A 779 30.515 -10.638 -22.926 1.00 0.00 N ATOM 977 CA PHE A 779 29.329 -11.276 -22.386 1.00 0.00 C ATOM 978 C PHE A 779 28.914 -10.533 -21.125 1.00 0.00 C ATOM 979 O PHE A 779 29.710 -9.777 -20.571 1.00 0.00 O ATOM 980 CB PHE A 779 29.593 -12.761 -22.092 1.00 0.00 C ATOM 981 CG PHE A 779 30.697 -13.004 -21.096 1.00 0.00 C ATOM 982 CD1 PHE A 779 32.026 -12.965 -21.489 1.00 0.00 C ATOM 983 CD2 PHE A 779 30.403 -13.274 -19.770 1.00 0.00 C ATOM 984 CE1 PHE A 779 33.041 -13.187 -20.577 1.00 0.00 C ATOM 985 CE2 PHE A 779 31.412 -13.497 -18.856 1.00 0.00 C ATOM 986 CZ PHE A 779 32.733 -13.454 -19.259 1.00 0.00 C ATOM 0 HA PHE A 779 28.521 -11.233 -23.117 1.00 0.00 H new ATOM 0 HB2 PHE A 779 28.675 -13.215 -21.719 1.00 0.00 H new ATOM 0 HB3 PHE A 779 29.842 -13.266 -23.025 1.00 0.00 H new ATOM 0 HD1 PHE A 779 32.271 -12.759 -22.520 1.00 0.00 H new ATOM 0 HD2 PHE A 779 29.373 -13.310 -19.448 1.00 0.00 H new ATOM 0 HE1 PHE A 779 34.072 -13.152 -20.895 1.00 0.00 H new ATOM 0 HE2 PHE A 779 31.169 -13.705 -17.824 1.00 0.00 H new ATOM 0 HZ PHE A 779 33.523 -13.629 -18.544 1.00 0.00 H new ATOM 996 N ILE A 780 27.682 -10.714 -20.688 1.00 0.00 N ATOM 997 CA ILE A 780 27.195 -10.002 -19.515 1.00 0.00 C ATOM 998 C ILE A 780 26.860 -10.973 -18.390 1.00 0.00 C ATOM 999 O ILE A 780 26.222 -12.005 -18.608 1.00 0.00 O ATOM 1000 CB ILE A 780 25.976 -9.100 -19.843 1.00 0.00 C ATOM 1001 CG1 ILE A 780 25.422 -8.462 -18.563 1.00 0.00 C ATOM 1002 CG2 ILE A 780 24.897 -9.881 -20.573 1.00 0.00 C ATOM 1003 CD1 ILE A 780 24.243 -7.542 -18.797 1.00 0.00 C ATOM 0 H ILE A 780 27.004 -11.341 -21.121 1.00 0.00 H new ATOM 0 HA ILE A 780 28.000 -9.348 -19.181 1.00 0.00 H new ATOM 0 HB ILE A 780 26.311 -8.303 -20.506 1.00 0.00 H new ATOM 0 HG12 ILE A 780 25.122 -9.253 -17.875 1.00 0.00 H new ATOM 0 HG13 ILE A 780 26.218 -7.900 -18.075 1.00 0.00 H new ATOM 0 HG21 ILE A 780 24.055 -9.223 -20.790 1.00 0.00 H new ATOM 0 HG22 ILE A 780 25.300 -10.274 -21.506 1.00 0.00 H new ATOM 0 HG23 ILE A 780 24.560 -10.708 -19.947 1.00 0.00 H new ATOM 0 HD11 ILE A 780 23.908 -7.130 -17.845 1.00 0.00 H new ATOM 0 HD12 ILE A 780 24.542 -6.729 -19.459 1.00 0.00 H new ATOM 0 HD13 ILE A 780 23.429 -8.103 -19.256 1.00 0.00 H new ATOM 1015 N THR A 781 27.320 -10.640 -17.195 1.00 0.00 N ATOM 1016 CA THR A 781 27.114 -11.476 -16.030 1.00 0.00 C ATOM 1017 C THR A 781 26.237 -10.758 -15.010 1.00 0.00 C ATOM 1018 O THR A 781 26.541 -9.634 -14.595 1.00 0.00 O ATOM 1019 CB THR A 781 28.454 -11.831 -15.358 1.00 0.00 C ATOM 1020 OG1 THR A 781 29.438 -12.146 -16.351 1.00 0.00 O ATOM 1021 CG2 THR A 781 28.291 -13.015 -14.413 1.00 0.00 C ATOM 0 H THR A 781 27.844 -9.785 -17.008 1.00 0.00 H new ATOM 0 HA THR A 781 26.625 -12.390 -16.367 1.00 0.00 H new ATOM 0 HB THR A 781 28.782 -10.965 -14.783 1.00 0.00 H new ATOM 0 HG1 THR A 781 29.631 -13.107 -16.327 1.00 0.00 H new ATOM 0 HG21 THR A 781 29.251 -13.246 -13.951 1.00 0.00 H new ATOM 0 HG22 THR A 781 27.566 -12.765 -13.638 1.00 0.00 H new ATOM 0 HG23 THR A 781 27.940 -13.882 -14.973 1.00 0.00 H new ATOM 1029 N VAL A 782 25.149 -11.397 -14.622 1.00 0.00 N ATOM 1030 CA VAL A 782 24.294 -10.871 -13.572 1.00 0.00 C ATOM 1031 C VAL A 782 24.516 -11.667 -12.295 1.00 0.00 C ATOM 1032 O VAL A 782 24.500 -12.890 -12.318 1.00 0.00 O ATOM 1033 CB VAL A 782 22.805 -10.923 -13.974 1.00 0.00 C ATOM 1034 CG1 VAL A 782 21.925 -10.332 -12.883 1.00 0.00 C ATOM 1035 CG2 VAL A 782 22.590 -10.189 -15.285 1.00 0.00 C ATOM 0 H VAL A 782 24.835 -12.283 -15.019 1.00 0.00 H new ATOM 0 HA VAL A 782 24.556 -9.826 -13.408 1.00 0.00 H new ATOM 0 HB VAL A 782 22.523 -11.968 -14.105 1.00 0.00 H new ATOM 0 HG11 VAL A 782 20.881 -10.381 -13.192 1.00 0.00 H new ATOM 0 HG12 VAL A 782 22.058 -10.899 -11.961 1.00 0.00 H new ATOM 0 HG13 VAL A 782 22.205 -9.292 -12.713 1.00 0.00 H new ATOM 0 HG21 VAL A 782 21.536 -10.233 -15.558 1.00 0.00 H new ATOM 0 HG22 VAL A 782 22.893 -9.148 -15.173 1.00 0.00 H new ATOM 0 HG23 VAL A 782 23.187 -10.658 -16.067 1.00 0.00 H new ATOM 1045 N SER A 783 24.750 -10.976 -11.196 1.00 0.00 N ATOM 1046 CA SER A 783 25.033 -11.637 -9.934 1.00 0.00 C ATOM 1047 C SER A 783 23.986 -11.285 -8.888 1.00 0.00 C ATOM 1048 O SER A 783 23.483 -10.158 -8.842 1.00 0.00 O ATOM 1049 CB SER A 783 26.437 -11.261 -9.447 1.00 0.00 C ATOM 1050 OG SER A 783 26.726 -11.842 -8.187 1.00 0.00 O ATOM 0 H SER A 783 24.750 -9.957 -11.150 1.00 0.00 H new ATOM 0 HA SER A 783 24.995 -12.715 -10.092 1.00 0.00 H new ATOM 0 HB2 SER A 783 27.176 -11.589 -10.178 1.00 0.00 H new ATOM 0 HB3 SER A 783 26.519 -10.176 -9.376 1.00 0.00 H new ATOM 0 HG SER A 783 27.629 -11.584 -7.907 1.00 0.00 H new ATOM 1056 N LYS A 784 23.664 -12.269 -8.058 1.00 0.00 N ATOM 1057 CA LYS A 784 22.671 -12.111 -7.003 1.00 0.00 C ATOM 1058 C LYS A 784 23.224 -11.282 -5.855 1.00 0.00 C ATOM 1059 O LYS A 784 22.475 -10.716 -5.061 1.00 0.00 O ATOM 1060 CB LYS A 784 22.247 -13.483 -6.482 1.00 0.00 C ATOM 1061 CG LYS A 784 21.496 -14.303 -7.510 1.00 0.00 C ATOM 1062 CD LYS A 784 21.204 -15.721 -7.031 1.00 0.00 C ATOM 1063 CE LYS A 784 20.195 -15.761 -5.898 1.00 0.00 C ATOM 1064 NZ LYS A 784 19.889 -17.160 -5.488 1.00 0.00 N ATOM 0 H LYS A 784 24.083 -13.198 -8.097 1.00 0.00 H new ATOM 0 HA LYS A 784 21.808 -11.593 -7.421 1.00 0.00 H new ATOM 0 HB2 LYS A 784 23.132 -14.033 -6.163 1.00 0.00 H new ATOM 0 HB3 LYS A 784 21.619 -13.352 -5.601 1.00 0.00 H new ATOM 0 HG2 LYS A 784 20.557 -13.805 -7.751 1.00 0.00 H new ATOM 0 HG3 LYS A 784 22.079 -14.347 -8.430 1.00 0.00 H new ATOM 0 HD2 LYS A 784 20.829 -16.312 -7.867 1.00 0.00 H new ATOM 0 HD3 LYS A 784 22.133 -16.187 -6.702 1.00 0.00 H new ATOM 0 HE2 LYS A 784 20.584 -15.207 -5.043 1.00 0.00 H new ATOM 0 HE3 LYS A 784 19.277 -15.263 -6.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 784 19.038 -17.168 -4.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 784 19.723 -17.741 -6.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 784 20.692 -17.548 -4.953 1.00 0.00 H new