USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 411 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 759 HIS : no HD1:sc= -0.948 K(o=-0.5,f=-9!) USER MOD Set 1.2: A 769 HIS : no HE2:sc= 0.452 K(o=-0.5,f=-9.7!) USER MOD Set 2.1: A 739 SER OG : rot 126:sc= -0.0506 USER MOD Set 2.2: A 741 LYS NZ :NH3+ 168:sc=-0.00559 (180deg=-0.149) USER MOD Single : A 728 HIS : no HD1:sc= -0.0266 X(o=-0.027,f=0) USER MOD Single : A 732 MET CE :methyl -157:sc= -0.0677 (180deg=-0.439) USER MOD Single : A 737 MET CE :methyl 165:sc= -0.067 (180deg=-0.408) 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 :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 749 SER OG : rot 180:sc= 0 USER MOD Single : A 751 ASN : amide:sc= -0.224 K(o=-0.22,f=-0.8) 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=-0.01) USER MOD Single : A 760 GLN : amide:sc= -1.38! C(o=-1.4!,f=-3.8!) USER MOD Single : A 765 HIS : no HE2:sc= 1.15 K(o=1.2,f=-9.2!) USER MOD Single : A 771 SER OG : rot 180:sc= 0 USER MOD Single : A 781 THR OG1 : rot 180:sc= 0 USER MOD Single : A 783 SER OG : rot 27:sc= 1.12 USER MOD Single : A 784 LYS NZ :NH3+ 137:sc= 1.33 (180deg=0.763) USER MOD ----------------------------------------------------------------- ATOM 143 N HIS A 728 12.173 -11.493 -22.640 1.00 0.00 N ATOM 144 CA HIS A 728 12.988 -12.705 -22.594 1.00 0.00 C ATOM 145 C HIS A 728 13.936 -12.636 -21.405 1.00 0.00 C ATOM 146 O HIS A 728 14.024 -13.565 -20.603 1.00 0.00 O ATOM 147 CB HIS A 728 13.786 -12.860 -23.899 1.00 0.00 C ATOM 148 CG HIS A 728 14.668 -14.077 -23.952 1.00 0.00 C ATOM 149 ND1 HIS A 728 14.295 -15.281 -24.506 1.00 0.00 N ATOM 150 CD2 HIS A 728 15.944 -14.248 -23.518 1.00 0.00 C ATOM 151 CE1 HIS A 728 15.328 -16.126 -24.395 1.00 0.00 C ATOM 152 NE2 HIS A 728 16.356 -15.547 -23.803 1.00 0.00 N ATOM 0 HA HIS A 728 12.335 -13.571 -22.483 1.00 0.00 H new ATOM 0 HB2 HIS A 728 13.087 -12.897 -24.735 1.00 0.00 H new ATOM 0 HB3 HIS A 728 14.404 -11.973 -24.039 1.00 0.00 H new ATOM 0 HD2 HIS A 728 16.544 -13.495 -23.029 1.00 0.00 H new ATOM 0 HE1 HIS A 728 15.321 -17.148 -24.744 1.00 0.00 H new ATOM 0 HE2 HIS A 728 17.264 -15.965 -23.597 1.00 0.00 H new ATOM 160 N PHE A 729 14.607 -11.504 -21.277 1.00 0.00 N ATOM 161 CA PHE A 729 15.582 -11.308 -20.220 1.00 0.00 C ATOM 162 C PHE A 729 14.903 -11.153 -18.863 1.00 0.00 C ATOM 163 O PHE A 729 15.486 -11.465 -17.831 1.00 0.00 O ATOM 164 CB PHE A 729 16.450 -10.096 -20.540 1.00 0.00 C ATOM 165 CG PHE A 729 17.155 -10.241 -21.857 1.00 0.00 C ATOM 166 CD1 PHE A 729 18.010 -11.309 -22.075 1.00 0.00 C ATOM 167 CD2 PHE A 729 16.955 -9.328 -22.882 1.00 0.00 C ATOM 168 CE1 PHE A 729 18.650 -11.465 -23.285 1.00 0.00 C ATOM 169 CE2 PHE A 729 17.599 -9.482 -24.094 1.00 0.00 C ATOM 170 CZ PHE A 729 18.445 -10.552 -24.296 1.00 0.00 C ATOM 0 H PHE A 729 14.492 -10.702 -21.897 1.00 0.00 H new ATOM 0 HA PHE A 729 16.218 -12.192 -20.164 1.00 0.00 H new ATOM 0 HB2 PHE A 729 15.829 -9.200 -20.558 1.00 0.00 H new ATOM 0 HB3 PHE A 729 17.186 -9.958 -19.748 1.00 0.00 H new ATOM 0 HD1 PHE A 729 18.177 -12.028 -21.287 1.00 0.00 H new ATOM 0 HD2 PHE A 729 16.290 -8.490 -22.731 1.00 0.00 H new ATOM 0 HE1 PHE A 729 19.313 -12.303 -23.441 1.00 0.00 H new ATOM 0 HE2 PHE A 729 17.440 -8.764 -24.884 1.00 0.00 H new ATOM 0 HZ PHE A 729 18.946 -10.674 -25.245 1.00 0.00 H new ATOM 180 N ARG A 730 13.659 -10.688 -18.874 1.00 0.00 N ATOM 181 CA ARG A 730 12.881 -10.565 -17.646 1.00 0.00 C ATOM 182 C ARG A 730 12.610 -11.952 -17.072 1.00 0.00 C ATOM 183 O ARG A 730 12.731 -12.174 -15.867 1.00 0.00 O ATOM 184 CB ARG A 730 11.561 -9.836 -17.930 1.00 0.00 C ATOM 185 CG ARG A 730 10.701 -9.577 -16.702 1.00 0.00 C ATOM 186 CD ARG A 730 11.253 -8.441 -15.856 1.00 0.00 C ATOM 187 NE ARG A 730 10.376 -8.123 -14.728 1.00 0.00 N ATOM 188 CZ ARG A 730 10.255 -6.910 -14.181 1.00 0.00 C ATOM 189 NH1 ARG A 730 10.935 -5.879 -14.666 1.00 0.00 N ATOM 190 NH2 ARG A 730 9.440 -6.730 -13.152 1.00 0.00 N ATOM 0 H ARG A 730 13.168 -10.391 -19.717 1.00 0.00 H new ATOM 0 HA ARG A 730 13.446 -9.984 -16.917 1.00 0.00 H new ATOM 0 HB2 ARG A 730 11.784 -8.882 -18.408 1.00 0.00 H new ATOM 0 HB3 ARG A 730 10.984 -10.423 -18.644 1.00 0.00 H new ATOM 0 HG2 ARG A 730 9.685 -9.337 -17.014 1.00 0.00 H new ATOM 0 HG3 ARG A 730 10.644 -10.484 -16.100 1.00 0.00 H new ATOM 0 HD2 ARG A 730 12.240 -8.713 -15.483 1.00 0.00 H new ATOM 0 HD3 ARG A 730 11.381 -7.555 -16.477 1.00 0.00 H new ATOM 0 HE ARG A 730 9.819 -8.880 -14.332 1.00 0.00 H new ATOM 0 HH11 ARG A 730 11.557 -6.008 -15.464 1.00 0.00 H new ATOM 0 HH12 ARG A 730 10.835 -4.957 -14.241 1.00 0.00 H new ATOM 0 HH21 ARG A 730 8.907 -7.516 -12.780 1.00 0.00 H new ATOM 0 HH22 ARG A 730 9.345 -5.805 -12.732 1.00 0.00 H new ATOM 204 N ALA A 731 12.264 -12.885 -17.951 1.00 0.00 N ATOM 205 CA ALA A 731 12.021 -14.265 -17.552 1.00 0.00 C ATOM 206 C ALA A 731 13.318 -14.931 -17.103 1.00 0.00 C ATOM 207 O ALA A 731 13.363 -15.586 -16.063 1.00 0.00 O ATOM 208 CB ALA A 731 11.395 -15.041 -18.701 1.00 0.00 C ATOM 0 H ALA A 731 12.145 -12.709 -18.949 1.00 0.00 H new ATOM 0 HA ALA A 731 11.328 -14.266 -16.711 1.00 0.00 H new ATOM 0 HB1 ALA A 731 11.218 -16.071 -18.391 1.00 0.00 H new ATOM 0 HB2 ALA A 731 10.448 -14.578 -18.979 1.00 0.00 H new ATOM 0 HB3 ALA A 731 12.070 -15.031 -19.557 1.00 0.00 H new ATOM 214 N MET A 732 14.370 -14.741 -17.889 1.00 0.00 N ATOM 215 CA MET A 732 15.679 -15.295 -17.572 1.00 0.00 C ATOM 216 C MET A 732 16.160 -14.830 -16.200 1.00 0.00 C ATOM 217 O MET A 732 16.641 -15.631 -15.398 1.00 0.00 O ATOM 218 CB MET A 732 16.683 -14.884 -18.646 1.00 0.00 C ATOM 219 CG MET A 732 16.334 -15.416 -20.024 1.00 0.00 C ATOM 220 SD MET A 732 17.072 -17.022 -20.368 1.00 0.00 S ATOM 221 CE MET A 732 18.793 -16.558 -20.543 1.00 0.00 C ATOM 0 H MET A 732 14.341 -14.204 -18.756 1.00 0.00 H new ATOM 0 HA MET A 732 15.595 -16.381 -17.547 1.00 0.00 H new ATOM 0 HB2 MET A 732 16.737 -13.796 -18.686 1.00 0.00 H new ATOM 0 HB3 MET A 732 17.673 -15.242 -18.365 1.00 0.00 H new ATOM 0 HG2 MET A 732 15.250 -15.494 -20.113 1.00 0.00 H new ATOM 0 HG3 MET A 732 16.665 -14.702 -20.778 1.00 0.00 H new ATOM 0 HE1 MET A 732 19.313 -17.308 -21.139 1.00 0.00 H new ATOM 0 HE2 MET A 732 18.860 -15.590 -21.039 1.00 0.00 H new ATOM 0 HE3 MET A 732 19.254 -16.493 -19.558 1.00 0.00 H new ATOM 231 N ILE A 733 16.008 -13.539 -15.929 1.00 0.00 N ATOM 232 CA ILE A 733 16.469 -12.960 -14.675 1.00 0.00 C ATOM 233 C ILE A 733 15.667 -13.476 -13.480 1.00 0.00 C ATOM 234 O ILE A 733 16.249 -13.844 -12.463 1.00 0.00 O ATOM 235 CB ILE A 733 16.440 -11.413 -14.722 1.00 0.00 C ATOM 236 CG1 ILE A 733 17.590 -10.901 -15.601 1.00 0.00 C ATOM 237 CG2 ILE A 733 16.521 -10.811 -13.320 1.00 0.00 C ATOM 238 CD1 ILE A 733 17.645 -9.396 -15.724 1.00 0.00 C ATOM 0 H ILE A 733 15.568 -12.873 -16.563 1.00 0.00 H new ATOM 0 HA ILE A 733 17.503 -13.278 -14.543 1.00 0.00 H new ATOM 0 HB ILE A 733 15.491 -11.099 -15.156 1.00 0.00 H new ATOM 0 HG12 ILE A 733 18.535 -11.257 -15.189 1.00 0.00 H new ATOM 0 HG13 ILE A 733 17.493 -11.334 -16.597 1.00 0.00 H new ATOM 0 HG21 ILE A 733 16.498 -9.723 -13.389 1.00 0.00 H new ATOM 0 HG22 ILE A 733 15.673 -11.155 -12.727 1.00 0.00 H new ATOM 0 HG23 ILE A 733 17.449 -11.125 -12.842 1.00 0.00 H new ATOM 0 HD11 ILE A 733 18.484 -9.113 -16.360 1.00 0.00 H new ATOM 0 HD12 ILE A 733 16.717 -9.033 -16.165 1.00 0.00 H new ATOM 0 HD13 ILE A 733 17.774 -8.955 -14.736 1.00 0.00 H new ATOM 250 N VAL A 734 14.344 -13.535 -13.596 1.00 0.00 N ATOM 251 CA VAL A 734 13.524 -13.974 -12.469 1.00 0.00 C ATOM 252 C VAL A 734 13.774 -15.456 -12.150 1.00 0.00 C ATOM 253 O VAL A 734 13.802 -15.851 -10.981 1.00 0.00 O ATOM 254 CB VAL A 734 12.011 -13.714 -12.699 1.00 0.00 C ATOM 255 CG1 VAL A 734 11.460 -14.554 -13.839 1.00 0.00 C ATOM 256 CG2 VAL A 734 11.226 -13.964 -11.420 1.00 0.00 C ATOM 0 H VAL A 734 13.824 -13.291 -14.439 1.00 0.00 H new ATOM 0 HA VAL A 734 13.827 -13.375 -11.610 1.00 0.00 H new ATOM 0 HB VAL A 734 11.897 -12.667 -12.981 1.00 0.00 H new ATOM 0 HG11 VAL A 734 10.398 -14.342 -13.967 1.00 0.00 H new ATOM 0 HG12 VAL A 734 11.992 -14.312 -14.759 1.00 0.00 H new ATOM 0 HG13 VAL A 734 11.594 -15.611 -13.610 1.00 0.00 H new ATOM 0 HG21 VAL A 734 10.167 -13.777 -11.600 1.00 0.00 H new ATOM 0 HG22 VAL A 734 11.363 -14.999 -11.105 1.00 0.00 H new ATOM 0 HG23 VAL A 734 11.584 -13.296 -10.637 1.00 0.00 H new ATOM 266 N GLU A 735 13.997 -16.262 -13.184 1.00 0.00 N ATOM 267 CA GLU A 735 14.314 -17.673 -12.993 1.00 0.00 C ATOM 268 C GLU A 735 15.723 -17.830 -12.435 1.00 0.00 C ATOM 269 O GLU A 735 16.026 -18.794 -11.736 1.00 0.00 O ATOM 270 CB GLU A 735 14.171 -18.444 -14.306 1.00 0.00 C ATOM 271 CG GLU A 735 12.743 -18.496 -14.820 1.00 0.00 C ATOM 272 CD GLU A 735 12.598 -19.360 -16.054 1.00 0.00 C ATOM 273 OE1 GLU A 735 12.716 -20.597 -15.930 1.00 0.00 O ATOM 274 OE2 GLU A 735 12.343 -18.812 -17.145 1.00 0.00 O ATOM 0 H GLU A 735 13.964 -15.964 -14.159 1.00 0.00 H new ATOM 0 HA GLU A 735 13.607 -18.088 -12.275 1.00 0.00 H new ATOM 0 HB2 GLU A 735 14.805 -17.981 -15.062 1.00 0.00 H new ATOM 0 HB3 GLU A 735 14.536 -19.461 -14.163 1.00 0.00 H new ATOM 0 HG2 GLU A 735 12.092 -18.880 -14.034 1.00 0.00 H new ATOM 0 HG3 GLU A 735 12.406 -17.485 -15.048 1.00 0.00 H new ATOM 281 N PHE A 736 16.574 -16.870 -12.754 1.00 0.00 N ATOM 282 CA PHE A 736 17.919 -16.809 -12.206 1.00 0.00 C ATOM 283 C PHE A 736 17.872 -16.424 -10.729 1.00 0.00 C ATOM 284 O PHE A 736 18.602 -16.980 -9.907 1.00 0.00 O ATOM 285 CB PHE A 736 18.743 -15.804 -13.013 1.00 0.00 C ATOM 286 CG PHE A 736 19.976 -15.292 -12.324 1.00 0.00 C ATOM 287 CD1 PHE A 736 21.094 -16.094 -12.183 1.00 0.00 C ATOM 288 CD2 PHE A 736 20.015 -13.997 -11.838 1.00 0.00 C ATOM 289 CE1 PHE A 736 22.231 -15.611 -11.569 1.00 0.00 C ATOM 290 CE2 PHE A 736 21.148 -13.510 -11.222 1.00 0.00 C ATOM 291 CZ PHE A 736 22.257 -14.318 -11.087 1.00 0.00 C ATOM 0 H PHE A 736 16.353 -16.112 -13.399 1.00 0.00 H new ATOM 0 HA PHE A 736 18.391 -17.789 -12.277 1.00 0.00 H new ATOM 0 HB2 PHE A 736 19.038 -16.271 -13.953 1.00 0.00 H new ATOM 0 HB3 PHE A 736 18.107 -14.955 -13.265 1.00 0.00 H new ATOM 0 HD1 PHE A 736 21.077 -17.107 -12.557 1.00 0.00 H new ATOM 0 HD2 PHE A 736 19.148 -13.361 -11.942 1.00 0.00 H new ATOM 0 HE1 PHE A 736 23.100 -16.244 -11.466 1.00 0.00 H new ATOM 0 HE2 PHE A 736 21.167 -12.498 -10.846 1.00 0.00 H new ATOM 0 HZ PHE A 736 23.146 -13.939 -10.604 1.00 0.00 H new ATOM 301 N MET A 737 16.994 -15.483 -10.399 1.00 0.00 N ATOM 302 CA MET A 737 16.825 -15.025 -9.024 1.00 0.00 C ATOM 303 C MET A 737 16.351 -16.158 -8.123 1.00 0.00 C ATOM 304 O MET A 737 16.833 -16.311 -7.003 1.00 0.00 O ATOM 305 CB MET A 737 15.833 -13.863 -8.967 1.00 0.00 C ATOM 306 CG MET A 737 16.352 -12.593 -9.614 1.00 0.00 C ATOM 307 SD MET A 737 15.093 -11.308 -9.748 1.00 0.00 S ATOM 308 CE MET A 737 14.634 -11.089 -8.031 1.00 0.00 C ATOM 0 H MET A 737 16.383 -15.019 -11.071 1.00 0.00 H new ATOM 0 HA MET A 737 17.795 -14.683 -8.664 1.00 0.00 H new ATOM 0 HB2 MET A 737 14.908 -14.161 -9.460 1.00 0.00 H new ATOM 0 HB3 MET A 737 15.587 -13.656 -7.925 1.00 0.00 H new ATOM 0 HG2 MET A 737 17.192 -12.212 -9.033 1.00 0.00 H new ATOM 0 HG3 MET A 737 16.732 -12.827 -10.608 1.00 0.00 H new ATOM 0 HE1 MET A 737 14.073 -10.161 -7.920 1.00 0.00 H new ATOM 0 HE2 MET A 737 14.016 -11.928 -7.710 1.00 0.00 H new ATOM 0 HE3 MET A 737 15.533 -11.045 -7.417 1.00 0.00 H new ATOM 318 N ALA A 738 15.420 -16.956 -8.630 1.00 0.00 N ATOM 319 CA ALA A 738 14.869 -18.070 -7.871 1.00 0.00 C ATOM 320 C ALA A 738 15.794 -19.285 -7.919 1.00 0.00 C ATOM 321 O ALA A 738 15.560 -20.289 -7.240 1.00 0.00 O ATOM 322 CB ALA A 738 13.490 -18.432 -8.403 1.00 0.00 C ATOM 0 H ALA A 738 15.030 -16.851 -9.567 1.00 0.00 H new ATOM 0 HA ALA A 738 14.779 -17.760 -6.830 1.00 0.00 H new ATOM 0 HB1 ALA A 738 13.086 -19.266 -7.829 1.00 0.00 H new ATOM 0 HB2 ALA A 738 12.827 -17.572 -8.309 1.00 0.00 H new ATOM 0 HB3 ALA A 738 13.568 -18.717 -9.452 1.00 0.00 H new ATOM 328 N SER A 739 16.847 -19.189 -8.714 1.00 0.00 N ATOM 329 CA SER A 739 17.777 -20.290 -8.886 1.00 0.00 C ATOM 330 C SER A 739 18.941 -20.169 -7.903 1.00 0.00 C ATOM 331 O SER A 739 19.133 -19.124 -7.271 1.00 0.00 O ATOM 332 CB SER A 739 18.300 -20.315 -10.328 1.00 0.00 C ATOM 333 OG SER A 739 19.028 -21.503 -10.603 1.00 0.00 O ATOM 0 H SER A 739 17.079 -18.354 -9.253 1.00 0.00 H new ATOM 0 HA SER A 739 17.252 -21.224 -8.683 1.00 0.00 H new ATOM 0 HB2 SER A 739 17.462 -20.233 -11.020 1.00 0.00 H new ATOM 0 HB3 SER A 739 18.940 -19.449 -10.498 1.00 0.00 H new ATOM 0 HG SER A 739 18.653 -21.941 -11.396 1.00 0.00 H new ATOM 339 N LYS A 740 19.713 -21.242 -7.783 1.00 0.00 N ATOM 340 CA LYS A 740 20.884 -21.265 -6.913 1.00 0.00 C ATOM 341 C LYS A 740 22.038 -20.488 -7.537 1.00 0.00 C ATOM 342 O LYS A 740 23.061 -20.254 -6.891 1.00 0.00 O ATOM 343 CB LYS A 740 21.339 -22.702 -6.657 1.00 0.00 C ATOM 344 CG LYS A 740 21.760 -23.436 -7.925 1.00 0.00 C ATOM 345 CD LYS A 740 22.610 -24.655 -7.614 1.00 0.00 C ATOM 346 CE LYS A 740 21.867 -25.649 -6.743 1.00 0.00 C ATOM 347 NZ LYS A 740 22.725 -26.799 -6.364 1.00 0.00 N ATOM 0 H LYS A 740 19.547 -22.116 -8.282 1.00 0.00 H new ATOM 0 HA LYS A 740 20.601 -20.798 -5.970 1.00 0.00 H new ATOM 0 HB2 LYS A 740 22.174 -22.692 -5.957 1.00 0.00 H new ATOM 0 HB3 LYS A 740 20.529 -23.253 -6.179 1.00 0.00 H new ATOM 0 HG2 LYS A 740 20.873 -23.743 -8.479 1.00 0.00 H new ATOM 0 HG3 LYS A 740 22.319 -22.758 -8.569 1.00 0.00 H new ATOM 0 HD2 LYS A 740 22.908 -25.138 -8.545 1.00 0.00 H new ATOM 0 HD3 LYS A 740 23.525 -24.342 -7.110 1.00 0.00 H new ATOM 0 HE2 LYS A 740 21.511 -25.148 -5.842 1.00 0.00 H new ATOM 0 HE3 LYS A 740 20.987 -26.012 -7.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 22.182 -27.456 -5.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 23.044 -27.292 -7.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 23.552 -26.456 -5.835 1.00 0.00 H new ATOM 361 N LYS A 741 21.875 -20.109 -8.799 1.00 0.00 N ATOM 362 CA LYS A 741 22.906 -19.381 -9.522 1.00 0.00 C ATOM 363 C LYS A 741 23.193 -18.048 -8.845 1.00 0.00 C ATOM 364 O LYS A 741 22.274 -17.318 -8.466 1.00 0.00 O ATOM 365 CB LYS A 741 22.486 -19.139 -10.973 1.00 0.00 C ATOM 366 CG LYS A 741 22.191 -20.410 -11.754 1.00 0.00 C ATOM 367 CD LYS A 741 21.822 -20.095 -13.195 1.00 0.00 C ATOM 368 CE LYS A 741 21.502 -21.357 -13.983 1.00 0.00 C ATOM 369 NZ LYS A 741 20.309 -22.063 -13.449 1.00 0.00 N ATOM 0 H LYS A 741 21.033 -20.296 -9.344 1.00 0.00 H new ATOM 0 HA LYS A 741 23.811 -19.988 -9.514 1.00 0.00 H new ATOM 0 HB2 LYS A 741 21.599 -18.505 -10.982 1.00 0.00 H new ATOM 0 HB3 LYS A 741 23.277 -18.588 -11.482 1.00 0.00 H new ATOM 0 HG2 LYS A 741 23.063 -21.064 -11.733 1.00 0.00 H new ATOM 0 HG3 LYS A 741 21.375 -20.952 -11.277 1.00 0.00 H new ATOM 0 HD2 LYS A 741 20.961 -19.427 -13.212 1.00 0.00 H new ATOM 0 HD3 LYS A 741 22.646 -19.566 -13.674 1.00 0.00 H new ATOM 0 HE2 LYS A 741 21.331 -21.098 -15.028 1.00 0.00 H new ATOM 0 HE3 LYS A 741 22.361 -22.027 -13.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 741 20.006 -22.793 -14.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 741 20.548 -22.510 -12.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 741 19.537 -21.381 -13.307 1.00 0.00 H new ATOM 383 N MET A 742 24.468 -17.751 -8.677 1.00 0.00 N ATOM 384 CA MET A 742 24.887 -16.492 -8.092 1.00 0.00 C ATOM 385 C MET A 742 25.307 -15.521 -9.187 1.00 0.00 C ATOM 386 O MET A 742 25.394 -14.313 -8.960 1.00 0.00 O ATOM 387 CB MET A 742 26.034 -16.715 -7.105 1.00 0.00 C ATOM 388 CG MET A 742 25.669 -17.647 -5.961 1.00 0.00 C ATOM 389 SD MET A 742 26.998 -17.833 -4.756 1.00 0.00 S ATOM 390 CE MET A 742 26.283 -19.059 -3.659 1.00 0.00 C ATOM 0 H MET A 742 25.236 -18.369 -8.939 1.00 0.00 H new ATOM 0 HA MET A 742 24.046 -16.063 -7.547 1.00 0.00 H new ATOM 0 HB2 MET A 742 26.890 -17.126 -7.640 1.00 0.00 H new ATOM 0 HB3 MET A 742 26.345 -15.753 -6.696 1.00 0.00 H new ATOM 0 HG2 MET A 742 24.780 -17.266 -5.458 1.00 0.00 H new ATOM 0 HG3 MET A 742 25.412 -18.626 -6.365 1.00 0.00 H new ATOM 0 HE1 MET A 742 26.986 -19.283 -2.856 1.00 0.00 H new ATOM 0 HE2 MET A 742 25.358 -18.671 -3.233 1.00 0.00 H new ATOM 0 HE3 MET A 742 26.071 -19.969 -4.220 1.00 0.00 H new ATOM 400 N GLN A 743 25.566 -16.061 -10.374 1.00 0.00 N ATOM 401 CA GLN A 743 25.890 -15.248 -11.537 1.00 0.00 C ATOM 402 C GLN A 743 25.311 -15.879 -12.796 1.00 0.00 C ATOM 403 O GLN A 743 25.305 -17.102 -12.942 1.00 0.00 O ATOM 404 CB GLN A 743 27.405 -15.061 -11.684 1.00 0.00 C ATOM 405 CG GLN A 743 28.182 -16.357 -11.872 1.00 0.00 C ATOM 406 CD GLN A 743 29.636 -16.121 -12.243 1.00 0.00 C ATOM 407 OE1 GLN A 743 30.201 -15.013 -11.784 1.00 0.00 O flip ATOM 408 NE2 GLN A 743 30.249 -16.932 -12.936 1.00 0.00 N flip ATOM 0 H GLN A 743 25.557 -17.065 -10.554 1.00 0.00 H new ATOM 0 HA GLN A 743 25.445 -14.264 -11.394 1.00 0.00 H new ATOM 0 HB2 GLN A 743 27.598 -14.409 -12.536 1.00 0.00 H new ATOM 0 HB3 GLN A 743 27.784 -14.549 -10.799 1.00 0.00 H new ATOM 0 HG2 GLN A 743 28.136 -16.940 -10.952 1.00 0.00 H new ATOM 0 HG3 GLN A 743 27.705 -16.952 -12.651 1.00 0.00 H new ATOM 0 HE21 GLN A 743 29.780 -17.774 -13.271 1.00 0.00 H new ATOM 0 HE22 GLN A 743 31.226 -16.763 -13.176 1.00 0.00 H new ATOM 417 N LEU A 744 24.798 -15.040 -13.681 1.00 0.00 N ATOM 418 CA LEU A 744 24.209 -15.496 -14.928 1.00 0.00 C ATOM 419 C LEU A 744 25.057 -15.015 -16.093 1.00 0.00 C ATOM 420 O LEU A 744 25.088 -13.817 -16.395 1.00 0.00 O ATOM 421 CB LEU A 744 22.781 -14.953 -15.066 1.00 0.00 C ATOM 422 CG LEU A 744 21.766 -15.883 -15.750 1.00 0.00 C ATOM 423 CD1 LEU A 744 20.427 -15.189 -15.895 1.00 0.00 C ATOM 424 CD2 LEU A 744 22.260 -16.349 -17.109 1.00 0.00 C ATOM 0 H LEU A 744 24.778 -14.028 -13.556 1.00 0.00 H new ATOM 0 HA LEU A 744 24.173 -16.585 -14.930 1.00 0.00 H new ATOM 0 HB2 LEU A 744 22.408 -14.712 -14.071 1.00 0.00 H new ATOM 0 HB3 LEU A 744 22.822 -14.019 -15.626 1.00 0.00 H new ATOM 0 HG LEU A 744 21.648 -16.762 -15.116 1.00 0.00 H new ATOM 0 HD11 LEU A 744 19.720 -15.861 -16.381 1.00 0.00 H new ATOM 0 HD12 LEU A 744 20.050 -14.916 -14.909 1.00 0.00 H new ATOM 0 HD13 LEU A 744 20.547 -14.290 -16.499 1.00 0.00 H new ATOM 0 HD21 LEU A 744 21.516 -17.004 -17.562 1.00 0.00 H new ATOM 0 HD22 LEU A 744 22.422 -15.485 -17.753 1.00 0.00 H new ATOM 0 HD23 LEU A 744 23.197 -16.893 -16.989 1.00 0.00 H new ATOM 436 N GLU A 745 25.758 -15.939 -16.723 1.00 0.00 N ATOM 437 CA GLU A 745 26.556 -15.619 -17.891 1.00 0.00 C ATOM 438 C GLU A 745 25.702 -15.673 -19.149 1.00 0.00 C ATOM 439 O GLU A 745 25.472 -16.746 -19.713 1.00 0.00 O ATOM 440 CB GLU A 745 27.739 -16.578 -18.030 1.00 0.00 C ATOM 441 CG GLU A 745 28.807 -16.399 -16.965 1.00 0.00 C ATOM 442 CD GLU A 745 29.968 -17.349 -17.158 1.00 0.00 C ATOM 443 OE1 GLU A 745 30.786 -17.116 -18.076 1.00 0.00 O ATOM 444 OE2 GLU A 745 30.061 -18.342 -16.404 1.00 0.00 O ATOM 0 H GLU A 745 25.791 -16.920 -16.444 1.00 0.00 H new ATOM 0 HA GLU A 745 26.943 -14.608 -17.762 1.00 0.00 H new ATOM 0 HB2 GLU A 745 27.369 -17.603 -17.991 1.00 0.00 H new ATOM 0 HB3 GLU A 745 28.192 -16.440 -19.012 1.00 0.00 H new ATOM 0 HG2 GLU A 745 29.172 -15.372 -16.987 1.00 0.00 H new ATOM 0 HG3 GLU A 745 28.367 -16.560 -15.981 1.00 0.00 H new ATOM 451 N PHE A 746 25.214 -14.517 -19.571 1.00 0.00 N ATOM 452 CA PHE A 746 24.424 -14.428 -20.785 1.00 0.00 C ATOM 453 C PHE A 746 25.310 -14.638 -22.009 1.00 0.00 C ATOM 454 O PHE A 746 26.483 -14.266 -22.001 1.00 0.00 O ATOM 455 CB PHE A 746 23.716 -13.074 -20.874 1.00 0.00 C ATOM 456 CG PHE A 746 22.516 -12.952 -19.976 1.00 0.00 C ATOM 457 CD1 PHE A 746 22.646 -12.545 -18.658 1.00 0.00 C ATOM 458 CD2 PHE A 746 21.251 -13.242 -20.462 1.00 0.00 C ATOM 459 CE1 PHE A 746 21.536 -12.430 -17.843 1.00 0.00 C ATOM 460 CE2 PHE A 746 20.138 -13.128 -19.652 1.00 0.00 C ATOM 461 CZ PHE A 746 20.280 -12.721 -18.340 1.00 0.00 C ATOM 0 H PHE A 746 25.352 -13.628 -19.090 1.00 0.00 H new ATOM 0 HA PHE A 746 23.667 -15.212 -20.758 1.00 0.00 H new ATOM 0 HB2 PHE A 746 24.427 -12.287 -20.623 1.00 0.00 H new ATOM 0 HB3 PHE A 746 23.404 -12.905 -21.905 1.00 0.00 H new ATOM 0 HD1 PHE A 746 23.625 -12.315 -18.264 1.00 0.00 H new ATOM 0 HD2 PHE A 746 21.134 -13.561 -21.487 1.00 0.00 H new ATOM 0 HE1 PHE A 746 21.650 -12.113 -16.817 1.00 0.00 H new ATOM 0 HE2 PHE A 746 19.158 -13.357 -20.044 1.00 0.00 H new ATOM 0 HZ PHE A 746 19.412 -12.630 -17.704 1.00 0.00 H new ATOM 471 N PRO A 747 24.764 -15.248 -23.073 1.00 0.00 N ATOM 472 CA PRO A 747 25.517 -15.520 -24.301 1.00 0.00 C ATOM 473 C PRO A 747 25.928 -14.241 -25.031 1.00 0.00 C ATOM 474 O PRO A 747 25.240 -13.222 -24.948 1.00 0.00 O ATOM 475 CB PRO A 747 24.535 -16.324 -25.167 1.00 0.00 C ATOM 476 CG PRO A 747 23.435 -16.745 -24.253 1.00 0.00 C ATOM 477 CD PRO A 747 23.375 -15.717 -23.165 1.00 0.00 C ATOM 0 HA PRO A 747 26.448 -16.045 -24.087 1.00 0.00 H new ATOM 0 HB2 PRO A 747 24.151 -15.718 -25.987 1.00 0.00 H new ATOM 0 HB3 PRO A 747 25.025 -17.189 -25.613 1.00 0.00 H new ATOM 0 HG2 PRO A 747 22.486 -16.802 -24.787 1.00 0.00 H new ATOM 0 HG3 PRO A 747 23.629 -17.736 -23.842 1.00 0.00 H new ATOM 0 HD2 PRO A 747 22.691 -14.906 -23.414 1.00 0.00 H new ATOM 0 HD3 PRO A 747 23.031 -16.146 -22.224 1.00 0.00 H new ATOM 485 N PRO A 748 27.056 -14.283 -25.765 1.00 0.00 N ATOM 486 CA PRO A 748 27.511 -13.157 -26.592 1.00 0.00 C ATOM 487 C PRO A 748 26.534 -12.835 -27.726 1.00 0.00 C ATOM 488 O PRO A 748 26.703 -11.855 -28.448 1.00 0.00 O ATOM 489 CB PRO A 748 28.851 -13.632 -27.162 1.00 0.00 C ATOM 490 CG PRO A 748 28.831 -15.116 -27.031 1.00 0.00 C ATOM 491 CD PRO A 748 27.990 -15.421 -25.823 1.00 0.00 C ATOM 0 HA PRO A 748 27.588 -12.239 -26.009 1.00 0.00 H new ATOM 0 HB2 PRO A 748 28.964 -13.331 -28.203 1.00 0.00 H new ATOM 0 HB3 PRO A 748 29.687 -13.200 -26.612 1.00 0.00 H new ATOM 0 HG2 PRO A 748 28.412 -15.580 -27.924 1.00 0.00 H new ATOM 0 HG3 PRO A 748 29.840 -15.510 -26.912 1.00 0.00 H new ATOM 0 HD2 PRO A 748 27.463 -16.369 -25.929 1.00 0.00 H new ATOM 0 HD3 PRO A 748 28.595 -15.492 -24.919 1.00 0.00 H new ATOM 499 N SER A 749 25.514 -13.679 -27.873 1.00 0.00 N ATOM 500 CA SER A 749 24.435 -13.442 -28.822 1.00 0.00 C ATOM 501 C SER A 749 23.702 -12.145 -28.471 1.00 0.00 C ATOM 502 O SER A 749 23.099 -11.502 -29.335 1.00 0.00 O ATOM 503 CB SER A 749 23.460 -14.627 -28.816 1.00 0.00 C ATOM 504 OG SER A 749 22.431 -14.465 -29.782 1.00 0.00 O ATOM 0 H SER A 749 25.415 -14.542 -27.339 1.00 0.00 H new ATOM 0 HA SER A 749 24.857 -13.343 -29.822 1.00 0.00 H new ATOM 0 HB2 SER A 749 24.006 -15.549 -29.017 1.00 0.00 H new ATOM 0 HB3 SER A 749 23.017 -14.729 -27.825 1.00 0.00 H new ATOM 0 HG SER A 749 21.829 -15.238 -29.752 1.00 0.00 H new ATOM 510 N LEU A 750 23.766 -11.762 -27.199 1.00 0.00 N ATOM 511 CA LEU A 750 23.173 -10.512 -26.745 1.00 0.00 C ATOM 512 C LEU A 750 23.879 -9.319 -27.373 1.00 0.00 C ATOM 513 O LEU A 750 25.029 -9.026 -27.049 1.00 0.00 O ATOM 514 CB LEU A 750 23.249 -10.385 -25.221 1.00 0.00 C ATOM 515 CG LEU A 750 22.096 -11.014 -24.441 1.00 0.00 C ATOM 516 CD1 LEU A 750 22.126 -12.530 -24.541 1.00 0.00 C ATOM 517 CD2 LEU A 750 22.150 -10.563 -22.991 1.00 0.00 C ATOM 0 H LEU A 750 24.224 -12.302 -26.465 1.00 0.00 H new ATOM 0 HA LEU A 750 22.127 -10.522 -27.053 1.00 0.00 H new ATOM 0 HB2 LEU A 750 24.181 -10.839 -24.884 1.00 0.00 H new ATOM 0 HB3 LEU A 750 23.300 -9.326 -24.966 1.00 0.00 H new ATOM 0 HG LEU A 750 21.156 -10.679 -24.879 1.00 0.00 H new ATOM 0 HD11 LEU A 750 21.293 -12.948 -23.976 1.00 0.00 H new ATOM 0 HD12 LEU A 750 22.041 -12.827 -25.586 1.00 0.00 H new ATOM 0 HD13 LEU A 750 23.065 -12.903 -24.133 1.00 0.00 H new ATOM 0 HD21 LEU A 750 21.326 -11.014 -22.439 1.00 0.00 H new ATOM 0 HD22 LEU A 750 23.096 -10.874 -22.548 1.00 0.00 H new ATOM 0 HD23 LEU A 750 22.067 -9.477 -22.944 1.00 0.00 H new ATOM 529 N ASN A 751 23.194 -8.643 -28.279 1.00 0.00 N ATOM 530 CA ASN A 751 23.708 -7.409 -28.848 1.00 0.00 C ATOM 531 C ASN A 751 23.459 -6.254 -27.876 1.00 0.00 C ATOM 532 O ASN A 751 22.938 -6.468 -26.780 1.00 0.00 O ATOM 533 CB ASN A 751 23.082 -7.142 -30.226 1.00 0.00 C ATOM 534 CG ASN A 751 21.569 -7.243 -30.227 1.00 0.00 C ATOM 535 OD1 ASN A 751 21.009 -8.332 -30.367 1.00 0.00 O ATOM 536 ND2 ASN A 751 20.900 -6.110 -30.115 1.00 0.00 N ATOM 0 H ASN A 751 22.282 -8.927 -28.636 1.00 0.00 H new ATOM 0 HA ASN A 751 24.783 -7.501 -29.000 1.00 0.00 H new ATOM 0 HB2 ASN A 751 23.373 -6.147 -30.563 1.00 0.00 H new ATOM 0 HB3 ASN A 751 23.487 -7.853 -30.946 1.00 0.00 H new ATOM 0 HD21 ASN A 751 19.880 -6.115 -30.143 1.00 0.00 H new ATOM 0 HD22 ASN A 751 21.403 -5.230 -30.000 1.00 0.00 H new ATOM 543 N SER A 752 23.823 -5.041 -28.270 1.00 0.00 N ATOM 544 CA SER A 752 23.794 -3.896 -27.361 1.00 0.00 C ATOM 545 C SER A 752 22.400 -3.656 -26.771 1.00 0.00 C ATOM 546 O SER A 752 22.267 -3.423 -25.569 1.00 0.00 O ATOM 547 CB SER A 752 24.296 -2.653 -28.091 1.00 0.00 C ATOM 548 OG SER A 752 25.574 -2.899 -28.659 1.00 0.00 O ATOM 0 H SER A 752 24.143 -4.821 -29.213 1.00 0.00 H new ATOM 0 HA SER A 752 24.453 -4.117 -26.521 1.00 0.00 H new ATOM 0 HB2 SER A 752 23.591 -2.372 -28.873 1.00 0.00 H new ATOM 0 HB3 SER A 752 24.354 -1.814 -27.398 1.00 0.00 H new ATOM 0 HG SER A 752 25.885 -2.095 -29.126 1.00 0.00 H new ATOM 554 N HIS A 753 21.368 -3.738 -27.608 1.00 0.00 N ATOM 555 CA HIS A 753 19.989 -3.540 -27.151 1.00 0.00 C ATOM 556 C HIS A 753 19.589 -4.622 -26.155 1.00 0.00 C ATOM 557 O HIS A 753 18.908 -4.351 -25.164 1.00 0.00 O ATOM 558 CB HIS A 753 19.013 -3.548 -28.333 1.00 0.00 C ATOM 559 CG HIS A 753 19.282 -2.489 -29.351 1.00 0.00 C ATOM 560 ND1 HIS A 753 19.408 -2.738 -30.697 1.00 0.00 N ATOM 561 CD2 HIS A 753 19.442 -1.150 -29.200 1.00 0.00 C ATOM 562 CE1 HIS A 753 19.639 -1.573 -31.310 1.00 0.00 C ATOM 563 NE2 HIS A 753 19.667 -0.577 -30.447 1.00 0.00 N ATOM 0 H HIS A 753 21.457 -3.939 -28.604 1.00 0.00 H new ATOM 0 HA HIS A 753 19.942 -2.568 -26.660 1.00 0.00 H new ATOM 0 HB2 HIS A 753 19.055 -4.523 -28.819 1.00 0.00 H new ATOM 0 HB3 HIS A 753 17.999 -3.424 -27.954 1.00 0.00 H new ATOM 0 HD2 HIS A 753 19.401 -0.615 -28.262 1.00 0.00 H new ATOM 0 HE1 HIS A 753 19.784 -1.462 -32.374 1.00 0.00 H new ATOM 0 HE2 HIS A 753 19.822 0.410 -30.652 1.00 0.00 H new ATOM 571 N ASP A 754 20.014 -5.846 -26.429 1.00 0.00 N ATOM 572 CA ASP A 754 19.728 -6.978 -25.556 1.00 0.00 C ATOM 573 C ASP A 754 20.367 -6.779 -24.191 1.00 0.00 C ATOM 574 O ASP A 754 19.710 -6.930 -23.160 1.00 0.00 O ATOM 575 CB ASP A 754 20.233 -8.280 -26.185 1.00 0.00 C ATOM 576 CG ASP A 754 19.389 -8.735 -27.358 1.00 0.00 C ATOM 577 OD1 ASP A 754 19.084 -7.905 -28.232 1.00 0.00 O ATOM 578 OD2 ASP A 754 19.041 -9.937 -27.419 1.00 0.00 O ATOM 0 H ASP A 754 20.563 -6.083 -27.255 1.00 0.00 H new ATOM 0 HA ASP A 754 18.647 -7.043 -25.429 1.00 0.00 H new ATOM 0 HB2 ASP A 754 21.262 -8.142 -26.516 1.00 0.00 H new ATOM 0 HB3 ASP A 754 20.245 -9.063 -25.427 1.00 0.00 H new ATOM 583 N ARG A 755 21.650 -6.426 -24.194 1.00 0.00 N ATOM 584 CA ARG A 755 22.375 -6.160 -22.959 1.00 0.00 C ATOM 585 C ARG A 755 21.691 -5.055 -22.165 1.00 0.00 C ATOM 586 O ARG A 755 21.433 -5.211 -20.974 1.00 0.00 O ATOM 587 CB ARG A 755 23.819 -5.749 -23.251 1.00 0.00 C ATOM 588 CG ARG A 755 24.643 -6.809 -23.958 1.00 0.00 C ATOM 589 CD ARG A 755 26.058 -6.314 -24.207 1.00 0.00 C ATOM 590 NE ARG A 755 26.870 -7.278 -24.947 1.00 0.00 N ATOM 591 CZ ARG A 755 27.408 -7.041 -26.149 1.00 0.00 C ATOM 592 NH1 ARG A 755 27.171 -5.890 -26.780 1.00 0.00 N ATOM 593 NH2 ARG A 755 28.186 -7.953 -26.720 1.00 0.00 N ATOM 0 H ARG A 755 22.208 -6.318 -25.041 1.00 0.00 H new ATOM 0 HA ARG A 755 22.378 -7.079 -22.373 1.00 0.00 H new ATOM 0 HB2 ARG A 755 23.810 -4.846 -23.862 1.00 0.00 H new ATOM 0 HB3 ARG A 755 24.308 -5.493 -22.311 1.00 0.00 H new ATOM 0 HG2 ARG A 755 24.671 -7.717 -23.355 1.00 0.00 H new ATOM 0 HG3 ARG A 755 24.172 -7.070 -24.906 1.00 0.00 H new ATOM 0 HD2 ARG A 755 26.018 -5.377 -24.762 1.00 0.00 H new ATOM 0 HD3 ARG A 755 26.537 -6.099 -23.252 1.00 0.00 H new ATOM 0 HE ARG A 755 27.037 -8.189 -24.520 1.00 0.00 H new ATOM 0 HH11 ARG A 755 26.576 -5.184 -26.346 1.00 0.00 H new ATOM 0 HH12 ARG A 755 27.584 -5.716 -27.696 1.00 0.00 H new ATOM 0 HH21 ARG A 755 28.374 -8.835 -26.242 1.00 0.00 H new ATOM 0 HH22 ARG A 755 28.596 -7.772 -27.636 1.00 0.00 H new ATOM 607 N LEU A 756 21.386 -3.951 -22.843 1.00 0.00 N ATOM 608 CA LEU A 756 20.747 -2.798 -22.212 1.00 0.00 C ATOM 609 C LEU A 756 19.458 -3.198 -21.504 1.00 0.00 C ATOM 610 O LEU A 756 19.164 -2.712 -20.412 1.00 0.00 O ATOM 611 CB LEU A 756 20.457 -1.720 -23.261 1.00 0.00 C ATOM 612 CG LEU A 756 19.694 -0.493 -22.758 1.00 0.00 C ATOM 613 CD1 LEU A 756 20.473 0.225 -21.665 1.00 0.00 C ATOM 614 CD2 LEU A 756 19.397 0.455 -23.909 1.00 0.00 C ATOM 0 H LEU A 756 21.573 -3.830 -23.838 1.00 0.00 H new ATOM 0 HA LEU A 756 21.433 -2.399 -21.464 1.00 0.00 H new ATOM 0 HB2 LEU A 756 21.405 -1.387 -23.685 1.00 0.00 H new ATOM 0 HB3 LEU A 756 19.886 -2.172 -24.072 1.00 0.00 H new ATOM 0 HG LEU A 756 18.750 -0.833 -22.332 1.00 0.00 H new ATOM 0 HD11 LEU A 756 19.908 1.093 -21.326 1.00 0.00 H new ATOM 0 HD12 LEU A 756 20.634 -0.453 -20.827 1.00 0.00 H new ATOM 0 HD13 LEU A 756 21.436 0.550 -22.058 1.00 0.00 H new ATOM 0 HD21 LEU A 756 18.854 1.323 -23.535 1.00 0.00 H new ATOM 0 HD22 LEU A 756 20.333 0.781 -24.363 1.00 0.00 H new ATOM 0 HD23 LEU A 756 18.791 -0.058 -24.656 1.00 0.00 H new ATOM 626 N ARG A 757 18.697 -4.088 -22.127 1.00 0.00 N ATOM 627 CA ARG A 757 17.447 -4.552 -21.551 1.00 0.00 C ATOM 628 C ARG A 757 17.719 -5.324 -20.263 1.00 0.00 C ATOM 629 O ARG A 757 16.989 -5.191 -19.281 1.00 0.00 O ATOM 630 CB ARG A 757 16.697 -5.429 -22.557 1.00 0.00 C ATOM 631 CG ARG A 757 15.228 -5.628 -22.222 1.00 0.00 C ATOM 632 CD ARG A 757 14.485 -4.300 -22.170 1.00 0.00 C ATOM 633 NE ARG A 757 13.046 -4.480 -21.994 1.00 0.00 N ATOM 634 CZ ARG A 757 12.221 -3.534 -21.550 1.00 0.00 C ATOM 635 NH1 ARG A 757 12.684 -2.341 -21.196 1.00 0.00 N ATOM 636 NH2 ARG A 757 10.926 -3.797 -21.450 1.00 0.00 N ATOM 0 H ARG A 757 18.925 -4.502 -23.031 1.00 0.00 H new ATOM 0 HA ARG A 757 16.824 -3.690 -21.313 1.00 0.00 H new ATOM 0 HB2 ARG A 757 16.777 -4.980 -23.547 1.00 0.00 H new ATOM 0 HB3 ARG A 757 17.183 -6.403 -22.609 1.00 0.00 H new ATOM 0 HG2 ARG A 757 14.768 -6.275 -22.968 1.00 0.00 H new ATOM 0 HG3 ARG A 757 15.138 -6.135 -21.261 1.00 0.00 H new ATOM 0 HD2 ARG A 757 14.877 -3.698 -21.350 1.00 0.00 H new ATOM 0 HD3 ARG A 757 14.670 -3.745 -23.090 1.00 0.00 H new ATOM 0 HE ARG A 757 12.647 -5.390 -22.226 1.00 0.00 H new ATOM 0 HH11 ARG A 757 13.682 -2.141 -21.263 1.00 0.00 H new ATOM 0 HH12 ARG A 757 12.042 -1.625 -20.857 1.00 0.00 H new ATOM 0 HH21 ARG A 757 10.571 -4.717 -21.712 1.00 0.00 H new ATOM 0 HH22 ARG A 757 10.285 -3.080 -21.111 1.00 0.00 H new ATOM 650 N VAL A 758 18.787 -6.113 -20.278 1.00 0.00 N ATOM 651 CA VAL A 758 19.212 -6.859 -19.098 1.00 0.00 C ATOM 652 C VAL A 758 19.634 -5.910 -17.982 1.00 0.00 C ATOM 653 O VAL A 758 19.167 -6.036 -16.847 1.00 0.00 O ATOM 654 CB VAL A 758 20.384 -7.812 -19.409 1.00 0.00 C ATOM 655 CG1 VAL A 758 20.831 -8.542 -18.154 1.00 0.00 C ATOM 656 CG2 VAL A 758 20.003 -8.810 -20.484 1.00 0.00 C ATOM 0 H VAL A 758 19.377 -6.253 -21.098 1.00 0.00 H new ATOM 0 HA VAL A 758 18.355 -7.452 -18.778 1.00 0.00 H new ATOM 0 HB VAL A 758 21.214 -7.209 -19.778 1.00 0.00 H new ATOM 0 HG11 VAL A 758 21.658 -9.209 -18.396 1.00 0.00 H new ATOM 0 HG12 VAL A 758 21.156 -7.817 -17.408 1.00 0.00 H new ATOM 0 HG13 VAL A 758 20.000 -9.125 -17.756 1.00 0.00 H new ATOM 0 HG21 VAL A 758 20.847 -9.470 -20.684 1.00 0.00 H new ATOM 0 HG22 VAL A 758 19.152 -9.402 -20.146 1.00 0.00 H new ATOM 0 HG23 VAL A 758 19.735 -8.277 -21.396 1.00 0.00 H new ATOM 666 N HIS A 759 20.516 -4.962 -18.315 1.00 0.00 N ATOM 667 CA HIS A 759 20.995 -3.977 -17.343 1.00 0.00 C ATOM 668 C HIS A 759 19.818 -3.270 -16.686 1.00 0.00 C ATOM 669 O HIS A 759 19.750 -3.168 -15.464 1.00 0.00 O ATOM 670 CB HIS A 759 21.913 -2.934 -17.999 1.00 0.00 C ATOM 671 CG HIS A 759 23.242 -3.464 -18.459 1.00 0.00 C ATOM 672 ND1 HIS A 759 24.280 -3.657 -17.584 1.00 0.00 N ATOM 673 CD2 HIS A 759 23.658 -3.792 -19.704 1.00 0.00 C ATOM 674 CE1 HIS A 759 25.291 -4.092 -18.303 1.00 0.00 C ATOM 675 NE2 HIS A 759 24.967 -4.191 -19.599 1.00 0.00 N ATOM 0 H HIS A 759 20.912 -4.857 -19.249 1.00 0.00 H new ATOM 0 HA HIS A 759 21.570 -4.515 -16.589 1.00 0.00 H new ATOM 0 HB2 HIS A 759 21.395 -2.501 -18.855 1.00 0.00 H new ATOM 0 HB3 HIS A 759 22.086 -2.125 -17.289 1.00 0.00 H new ATOM 0 HD2 HIS A 759 23.071 -3.748 -20.609 1.00 0.00 H new ATOM 0 HE1 HIS A 759 26.262 -4.339 -17.899 1.00 0.00 H new ATOM 0 HE2 HIS A 759 25.573 -4.502 -20.358 1.00 0.00 H new ATOM 683 N GLN A 760 18.883 -2.800 -17.511 1.00 0.00 N ATOM 684 CA GLN A 760 17.663 -2.156 -17.029 1.00 0.00 C ATOM 685 C GLN A 760 16.949 -3.003 -15.981 1.00 0.00 C ATOM 686 O GLN A 760 16.623 -2.522 -14.895 1.00 0.00 O ATOM 687 CB GLN A 760 16.714 -1.903 -18.198 1.00 0.00 C ATOM 688 CG GLN A 760 17.101 -0.723 -19.068 1.00 0.00 C ATOM 689 CD GLN A 760 16.248 -0.626 -20.318 1.00 0.00 C ATOM 690 OE1 GLN A 760 15.096 -1.062 -20.340 1.00 0.00 O ATOM 691 NE2 GLN A 760 16.803 -0.038 -21.364 1.00 0.00 N ATOM 0 H GLN A 760 18.950 -2.855 -18.527 1.00 0.00 H new ATOM 0 HA GLN A 760 17.952 -1.213 -16.565 1.00 0.00 H new ATOM 0 HB2 GLN A 760 16.672 -2.799 -18.818 1.00 0.00 H new ATOM 0 HB3 GLN A 760 15.710 -1.738 -17.807 1.00 0.00 H new ATOM 0 HG2 GLN A 760 17.004 0.197 -18.492 1.00 0.00 H new ATOM 0 HG3 GLN A 760 18.150 -0.812 -19.352 1.00 0.00 H new ATOM 0 HE21 GLN A 760 17.760 0.310 -21.305 1.00 0.00 H new ATOM 0 HE22 GLN A 760 16.274 0.068 -22.230 1.00 0.00 H new ATOM 700 N ILE A 761 16.717 -4.266 -16.304 1.00 0.00 N ATOM 701 CA ILE A 761 15.950 -5.139 -15.432 1.00 0.00 C ATOM 702 C ILE A 761 16.724 -5.475 -14.156 1.00 0.00 C ATOM 703 O ILE A 761 16.160 -5.459 -13.064 1.00 0.00 O ATOM 704 CB ILE A 761 15.537 -6.433 -16.164 1.00 0.00 C ATOM 705 CG1 ILE A 761 14.662 -6.086 -17.368 1.00 0.00 C ATOM 706 CG2 ILE A 761 14.791 -7.372 -15.223 1.00 0.00 C ATOM 707 CD1 ILE A 761 14.409 -7.251 -18.303 1.00 0.00 C ATOM 0 H ILE A 761 17.048 -4.708 -17.162 1.00 0.00 H new ATOM 0 HA ILE A 761 15.046 -4.600 -15.148 1.00 0.00 H new ATOM 0 HB ILE A 761 16.437 -6.943 -16.508 1.00 0.00 H new ATOM 0 HG12 ILE A 761 13.705 -5.706 -17.011 1.00 0.00 H new ATOM 0 HG13 ILE A 761 15.136 -5.280 -17.928 1.00 0.00 H new ATOM 0 HG21 ILE A 761 14.510 -8.278 -15.760 1.00 0.00 H new ATOM 0 HG22 ILE A 761 15.435 -7.634 -14.384 1.00 0.00 H new ATOM 0 HG23 ILE A 761 13.894 -6.877 -14.851 1.00 0.00 H new ATOM 0 HD11 ILE A 761 13.781 -6.923 -19.131 1.00 0.00 H new ATOM 0 HD12 ILE A 761 15.359 -7.619 -18.692 1.00 0.00 H new ATOM 0 HD13 ILE A 761 13.905 -8.051 -17.760 1.00 0.00 H new ATOM 719 N ALA A 762 18.017 -5.756 -14.286 1.00 0.00 N ATOM 720 CA ALA A 762 18.840 -6.079 -13.128 1.00 0.00 C ATOM 721 C ALA A 762 18.973 -4.865 -12.213 1.00 0.00 C ATOM 722 O ALA A 762 18.957 -4.988 -10.985 1.00 0.00 O ATOM 723 CB ALA A 762 20.210 -6.568 -13.573 1.00 0.00 C ATOM 0 H ALA A 762 18.514 -5.766 -15.177 1.00 0.00 H new ATOM 0 HA ALA A 762 18.354 -6.878 -12.568 1.00 0.00 H new ATOM 0 HB1 ALA A 762 20.814 -6.805 -12.697 1.00 0.00 H new ATOM 0 HB2 ALA A 762 20.096 -7.461 -14.188 1.00 0.00 H new ATOM 0 HB3 ALA A 762 20.704 -5.789 -14.153 1.00 0.00 H new ATOM 729 N GLU A 763 19.090 -3.696 -12.826 1.00 0.00 N ATOM 730 CA GLU A 763 19.177 -2.436 -12.102 1.00 0.00 C ATOM 731 C GLU A 763 17.856 -2.145 -11.393 1.00 0.00 C ATOM 732 O GLU A 763 17.836 -1.619 -10.281 1.00 0.00 O ATOM 733 CB GLU A 763 19.525 -1.318 -13.090 1.00 0.00 C ATOM 734 CG GLU A 763 19.905 0.010 -12.461 1.00 0.00 C ATOM 735 CD GLU A 763 20.567 0.932 -13.467 1.00 0.00 C ATOM 736 OE1 GLU A 763 19.848 1.533 -14.298 1.00 0.00 O ATOM 737 OE2 GLU A 763 21.816 1.047 -13.451 1.00 0.00 O ATOM 0 H GLU A 763 19.127 -3.594 -13.840 1.00 0.00 H new ATOM 0 HA GLU A 763 19.957 -2.497 -11.344 1.00 0.00 H new ATOM 0 HB2 GLU A 763 20.351 -1.654 -13.717 1.00 0.00 H new ATOM 0 HB3 GLU A 763 18.671 -1.158 -13.748 1.00 0.00 H new ATOM 0 HG2 GLU A 763 19.014 0.491 -12.057 1.00 0.00 H new ATOM 0 HG3 GLU A 763 20.582 -0.163 -11.624 1.00 0.00 H new ATOM 744 N GLU A 764 16.759 -2.504 -12.047 1.00 0.00 N ATOM 745 CA GLU A 764 15.426 -2.359 -11.473 1.00 0.00 C ATOM 746 C GLU A 764 15.260 -3.279 -10.264 1.00 0.00 C ATOM 747 O GLU A 764 14.839 -2.846 -9.191 1.00 0.00 O ATOM 748 CB GLU A 764 14.372 -2.702 -12.531 1.00 0.00 C ATOM 749 CG GLU A 764 12.938 -2.463 -12.088 1.00 0.00 C ATOM 750 CD GLU A 764 12.587 -0.993 -12.002 1.00 0.00 C ATOM 751 OE1 GLU A 764 12.301 -0.388 -13.057 1.00 0.00 O ATOM 752 OE2 GLU A 764 12.586 -0.439 -10.885 1.00 0.00 O ATOM 0 H GLU A 764 16.767 -2.902 -12.986 1.00 0.00 H new ATOM 0 HA GLU A 764 15.295 -1.327 -11.146 1.00 0.00 H new ATOM 0 HB2 GLU A 764 14.567 -2.110 -13.426 1.00 0.00 H new ATOM 0 HB3 GLU A 764 14.483 -3.749 -12.811 1.00 0.00 H new ATOM 0 HG2 GLU A 764 12.260 -2.953 -12.787 1.00 0.00 H new ATOM 0 HG3 GLU A 764 12.782 -2.927 -11.114 1.00 0.00 H new ATOM 759 N HIS A 765 15.620 -4.544 -10.442 1.00 0.00 N ATOM 760 CA HIS A 765 15.429 -5.557 -9.405 1.00 0.00 C ATOM 761 C HIS A 765 16.365 -5.334 -8.222 1.00 0.00 C ATOM 762 O HIS A 765 16.035 -5.681 -7.087 1.00 0.00 O ATOM 763 CB HIS A 765 15.630 -6.961 -9.982 1.00 0.00 C ATOM 764 CG HIS A 765 14.506 -7.421 -10.865 1.00 0.00 C ATOM 765 ND1 HIS A 765 14.113 -8.734 -10.986 1.00 0.00 N ATOM 766 CD2 HIS A 765 13.688 -6.711 -11.685 1.00 0.00 C ATOM 767 CE1 HIS A 765 13.094 -8.782 -11.851 1.00 0.00 C ATOM 768 NE2 HIS A 765 12.798 -7.582 -12.306 1.00 0.00 N ATOM 0 H HIS A 765 16.048 -4.897 -11.298 1.00 0.00 H new ATOM 0 HA HIS A 765 14.405 -5.466 -9.042 1.00 0.00 H new ATOM 0 HB2 HIS A 765 16.559 -6.979 -10.553 1.00 0.00 H new ATOM 0 HB3 HIS A 765 15.747 -7.668 -9.160 1.00 0.00 H new ATOM 0 HD1 HIS A 765 14.526 -9.531 -10.501 1.00 0.00 H new ATOM 0 HD2 HIS A 765 13.723 -5.642 -11.831 1.00 0.00 H new ATOM 0 HE1 HIS A 765 12.580 -9.687 -12.139 1.00 0.00 H new ATOM 776 N GLY A 766 17.528 -4.754 -8.484 1.00 0.00 N ATOM 777 CA GLY A 766 18.458 -4.459 -7.415 1.00 0.00 C ATOM 778 C GLY A 766 19.575 -5.477 -7.323 1.00 0.00 C ATOM 779 O GLY A 766 20.022 -5.826 -6.228 1.00 0.00 O ATOM 0 H GLY A 766 17.843 -4.483 -9.416 1.00 0.00 H new ATOM 0 HA2 GLY A 766 18.885 -3.469 -7.572 1.00 0.00 H new ATOM 0 HA3 GLY A 766 17.920 -4.428 -6.468 1.00 0.00 H new ATOM 783 N LEU A 767 20.019 -5.966 -8.471 1.00 0.00 N ATOM 784 CA LEU A 767 21.114 -6.924 -8.523 1.00 0.00 C ATOM 785 C LEU A 767 22.329 -6.272 -9.162 1.00 0.00 C ATOM 786 O LEU A 767 22.229 -5.167 -9.696 1.00 0.00 O ATOM 787 CB LEU A 767 20.708 -8.165 -9.325 1.00 0.00 C ATOM 788 CG LEU A 767 19.431 -8.865 -8.852 1.00 0.00 C ATOM 789 CD1 LEU A 767 19.077 -10.008 -9.793 1.00 0.00 C ATOM 790 CD2 LEU A 767 19.590 -9.379 -7.428 1.00 0.00 C ATOM 0 H LEU A 767 19.636 -5.714 -9.382 1.00 0.00 H new ATOM 0 HA LEU A 767 21.358 -7.234 -7.507 1.00 0.00 H new ATOM 0 HB2 LEU A 767 20.578 -7.876 -10.368 1.00 0.00 H new ATOM 0 HB3 LEU A 767 21.528 -8.882 -9.292 1.00 0.00 H new ATOM 0 HG LEU A 767 18.619 -8.138 -8.862 1.00 0.00 H new ATOM 0 HD11 LEU A 767 18.167 -10.497 -9.445 1.00 0.00 H new ATOM 0 HD12 LEU A 767 18.917 -9.616 -10.797 1.00 0.00 H new ATOM 0 HD13 LEU A 767 19.893 -10.730 -9.811 1.00 0.00 H new ATOM 0 HD21 LEU A 767 18.670 -9.872 -7.114 1.00 0.00 H new ATOM 0 HD22 LEU A 767 20.415 -10.090 -7.388 1.00 0.00 H new ATOM 0 HD23 LEU A 767 19.799 -8.543 -6.761 1.00 0.00 H new ATOM 802 N ARG A 768 23.471 -6.942 -9.115 1.00 0.00 N ATOM 803 CA ARG A 768 24.671 -6.404 -9.733 1.00 0.00 C ATOM 804 C ARG A 768 24.746 -6.876 -11.173 1.00 0.00 C ATOM 805 O ARG A 768 24.482 -8.039 -11.462 1.00 0.00 O ATOM 806 CB ARG A 768 25.934 -6.839 -8.982 1.00 0.00 C ATOM 807 CG ARG A 768 27.138 -5.951 -9.272 1.00 0.00 C ATOM 808 CD ARG A 768 28.445 -6.590 -8.826 1.00 0.00 C ATOM 809 NE ARG A 768 28.942 -7.556 -9.807 1.00 0.00 N ATOM 810 CZ ARG A 768 29.856 -8.491 -9.547 1.00 0.00 C ATOM 811 NH1 ARG A 768 30.376 -8.609 -8.330 1.00 0.00 N ATOM 812 NH2 ARG A 768 30.259 -9.292 -10.521 1.00 0.00 N ATOM 0 H ARG A 768 23.591 -7.848 -8.661 1.00 0.00 H new ATOM 0 HA ARG A 768 24.617 -5.316 -9.695 1.00 0.00 H new ATOM 0 HB2 ARG A 768 25.733 -6.830 -7.911 1.00 0.00 H new ATOM 0 HB3 ARG A 768 26.175 -7.867 -9.253 1.00 0.00 H new ATOM 0 HG2 ARG A 768 27.184 -5.742 -10.341 1.00 0.00 H new ATOM 0 HG3 ARG A 768 27.012 -4.994 -8.765 1.00 0.00 H new ATOM 0 HD2 ARG A 768 29.194 -5.814 -8.669 1.00 0.00 H new ATOM 0 HD3 ARG A 768 28.297 -7.089 -7.868 1.00 0.00 H new ATOM 0 HE ARG A 768 28.564 -7.511 -10.753 1.00 0.00 H new ATOM 0 HH11 ARG A 768 30.076 -7.981 -7.584 1.00 0.00 H new ATOM 0 HH12 ARG A 768 31.075 -9.328 -8.141 1.00 0.00 H new ATOM 0 HH21 ARG A 768 29.871 -9.190 -11.459 1.00 0.00 H new ATOM 0 HH22 ARG A 768 30.958 -10.011 -10.334 1.00 0.00 H new ATOM 826 N HIS A 769 25.092 -5.978 -12.067 1.00 0.00 N ATOM 827 CA HIS A 769 25.183 -6.313 -13.474 1.00 0.00 C ATOM 828 C HIS A 769 26.422 -5.691 -14.089 1.00 0.00 C ATOM 829 O HIS A 769 26.626 -4.478 -14.036 1.00 0.00 O ATOM 830 CB HIS A 769 23.914 -5.889 -14.227 1.00 0.00 C ATOM 831 CG HIS A 769 23.411 -4.517 -13.879 1.00 0.00 C ATOM 832 ND1 HIS A 769 23.542 -3.467 -14.745 1.00 0.00 N ATOM 833 CD2 HIS A 769 22.779 -4.088 -12.760 1.00 0.00 C ATOM 834 CE1 HIS A 769 22.990 -2.431 -14.151 1.00 0.00 C ATOM 835 NE2 HIS A 769 22.514 -2.754 -12.940 1.00 0.00 N ATOM 0 H HIS A 769 25.316 -5.008 -11.847 1.00 0.00 H new ATOM 0 HA HIS A 769 25.268 -7.396 -13.562 1.00 0.00 H new ATOM 0 HB2 HIS A 769 24.112 -5.928 -15.298 1.00 0.00 H new ATOM 0 HB3 HIS A 769 23.126 -6.614 -14.022 1.00 0.00 H new ATOM 0 HD1 HIS A 769 23.980 -3.484 -15.666 1.00 0.00 H new ATOM 0 HD2 HIS A 769 22.531 -4.682 -11.893 1.00 0.00 H new ATOM 0 HE1 HIS A 769 22.928 -1.444 -14.585 1.00 0.00 H new ATOM 843 N ASP A 770 27.260 -6.540 -14.642 1.00 0.00 N ATOM 844 CA ASP A 770 28.510 -6.106 -15.239 1.00 0.00 C ATOM 845 C ASP A 770 28.818 -6.945 -16.462 1.00 0.00 C ATOM 846 O ASP A 770 28.363 -8.080 -16.579 1.00 0.00 O ATOM 847 CB ASP A 770 29.662 -6.194 -14.227 1.00 0.00 C ATOM 848 CG ASP A 770 29.880 -7.599 -13.685 1.00 0.00 C ATOM 849 OD1 ASP A 770 29.254 -7.951 -12.661 1.00 0.00 O ATOM 850 OD2 ASP A 770 30.698 -8.347 -14.264 1.00 0.00 O ATOM 0 H ASP A 770 27.098 -7.546 -14.692 1.00 0.00 H new ATOM 0 HA ASP A 770 28.404 -5.064 -15.540 1.00 0.00 H new ATOM 0 HB2 ASP A 770 30.580 -5.848 -14.701 1.00 0.00 H new ATOM 0 HB3 ASP A 770 29.459 -5.519 -13.396 1.00 0.00 H new ATOM 855 N SER A 771 29.569 -6.378 -17.386 1.00 0.00 N ATOM 856 CA SER A 771 29.911 -7.077 -18.604 1.00 0.00 C ATOM 857 C SER A 771 31.387 -7.440 -18.615 1.00 0.00 C ATOM 858 O SER A 771 32.239 -6.650 -18.203 1.00 0.00 O ATOM 859 CB SER A 771 29.569 -6.215 -19.811 1.00 0.00 C ATOM 860 OG SER A 771 28.253 -5.699 -19.709 1.00 0.00 O ATOM 0 H SER A 771 29.953 -5.436 -17.314 1.00 0.00 H new ATOM 0 HA SER A 771 29.332 -7.999 -18.652 1.00 0.00 H new ATOM 0 HB2 SER A 771 30.281 -5.393 -19.889 1.00 0.00 H new ATOM 0 HB3 SER A 771 29.663 -6.805 -20.722 1.00 0.00 H new ATOM 0 HG SER A 771 28.056 -5.147 -20.495 1.00 0.00 H new ATOM 976 N PHE A 779 30.288 -10.380 -22.849 1.00 0.00 N ATOM 977 CA PHE A 779 28.974 -10.827 -22.436 1.00 0.00 C ATOM 978 C PHE A 779 28.599 -10.172 -21.121 1.00 0.00 C ATOM 979 O PHE A 779 29.453 -9.605 -20.437 1.00 0.00 O ATOM 980 CB PHE A 779 28.934 -12.357 -22.312 1.00 0.00 C ATOM 981 CG PHE A 779 29.981 -12.931 -21.398 1.00 0.00 C ATOM 982 CD1 PHE A 779 29.726 -13.105 -20.046 1.00 0.00 C ATOM 983 CD2 PHE A 779 31.224 -13.301 -21.892 1.00 0.00 C ATOM 984 CE1 PHE A 779 30.686 -13.634 -19.208 1.00 0.00 C ATOM 985 CE2 PHE A 779 32.189 -13.830 -21.057 1.00 0.00 C ATOM 986 CZ PHE A 779 31.921 -13.997 -19.714 1.00 0.00 C ATOM 0 HA PHE A 779 28.248 -10.534 -23.195 1.00 0.00 H new ATOM 0 HB2 PHE A 779 27.950 -12.655 -21.950 1.00 0.00 H new ATOM 0 HB3 PHE A 779 29.055 -12.794 -23.303 1.00 0.00 H new ATOM 0 HD1 PHE A 779 28.764 -12.823 -19.644 1.00 0.00 H new ATOM 0 HD2 PHE A 779 31.440 -13.174 -22.943 1.00 0.00 H new ATOM 0 HE1 PHE A 779 30.473 -13.765 -18.157 1.00 0.00 H new ATOM 0 HE2 PHE A 779 33.152 -14.113 -21.455 1.00 0.00 H new ATOM 0 HZ PHE A 779 32.674 -14.410 -19.059 1.00 0.00 H new ATOM 996 N ILE A 780 27.332 -10.240 -20.769 1.00 0.00 N ATOM 997 CA ILE A 780 26.865 -9.620 -19.547 1.00 0.00 C ATOM 998 C ILE A 780 26.625 -10.671 -18.472 1.00 0.00 C ATOM 999 O ILE A 780 26.043 -11.725 -18.730 1.00 0.00 O ATOM 1000 CB ILE A 780 25.586 -8.784 -19.785 1.00 0.00 C ATOM 1001 CG1 ILE A 780 25.130 -8.113 -18.487 1.00 0.00 C ATOM 1002 CG2 ILE A 780 24.474 -9.643 -20.372 1.00 0.00 C ATOM 1003 CD1 ILE A 780 23.915 -7.232 -18.661 1.00 0.00 C ATOM 0 H ILE A 780 26.610 -10.716 -21.309 1.00 0.00 H new ATOM 0 HA ILE A 780 27.644 -8.940 -19.203 1.00 0.00 H new ATOM 0 HB ILE A 780 25.822 -8.003 -20.508 1.00 0.00 H new ATOM 0 HG12 ILE A 780 24.909 -8.882 -17.747 1.00 0.00 H new ATOM 0 HG13 ILE A 780 25.949 -7.515 -18.089 1.00 0.00 H new ATOM 0 HG21 ILE A 780 23.586 -9.031 -20.530 1.00 0.00 H new ATOM 0 HG22 ILE A 780 24.801 -10.060 -21.324 1.00 0.00 H new ATOM 0 HG23 ILE A 780 24.238 -10.454 -19.683 1.00 0.00 H new ATOM 0 HD11 ILE A 780 23.647 -6.789 -17.702 1.00 0.00 H new ATOM 0 HD12 ILE A 780 24.139 -6.441 -19.377 1.00 0.00 H new ATOM 0 HD13 ILE A 780 23.082 -7.830 -19.030 1.00 0.00 H new ATOM 1015 N THR A 781 27.109 -10.393 -17.278 1.00 0.00 N ATOM 1016 CA THR A 781 26.950 -11.296 -16.161 1.00 0.00 C ATOM 1017 C THR A 781 26.147 -10.628 -15.053 1.00 0.00 C ATOM 1018 O THR A 781 26.594 -9.655 -14.443 1.00 0.00 O ATOM 1019 CB THR A 781 28.321 -11.741 -15.615 1.00 0.00 C ATOM 1020 OG1 THR A 781 29.152 -12.173 -16.699 1.00 0.00 O ATOM 1021 CG2 THR A 781 28.166 -12.875 -14.612 1.00 0.00 C ATOM 0 H THR A 781 27.621 -9.539 -17.058 1.00 0.00 H new ATOM 0 HA THR A 781 26.413 -12.177 -16.512 1.00 0.00 H new ATOM 0 HB THR A 781 28.781 -10.892 -15.109 1.00 0.00 H new ATOM 0 HG1 THR A 781 30.024 -12.454 -16.351 1.00 0.00 H new ATOM 0 HG21 THR A 781 29.148 -13.170 -14.242 1.00 0.00 H new ATOM 0 HG22 THR A 781 27.549 -12.541 -13.778 1.00 0.00 H new ATOM 0 HG23 THR A 781 27.690 -13.727 -15.097 1.00 0.00 H new ATOM 1029 N VAL A 782 24.950 -11.133 -14.820 1.00 0.00 N ATOM 1030 CA VAL A 782 24.111 -10.626 -13.748 1.00 0.00 C ATOM 1031 C VAL A 782 24.390 -11.423 -12.490 1.00 0.00 C ATOM 1032 O VAL A 782 24.409 -12.648 -12.526 1.00 0.00 O ATOM 1033 CB VAL A 782 22.611 -10.718 -14.104 1.00 0.00 C ATOM 1034 CG1 VAL A 782 21.748 -10.103 -13.014 1.00 0.00 C ATOM 1035 CG2 VAL A 782 22.340 -10.045 -15.437 1.00 0.00 C ATOM 0 H VAL A 782 24.536 -11.894 -15.358 1.00 0.00 H new ATOM 0 HA VAL A 782 24.347 -9.573 -13.592 1.00 0.00 H new ATOM 0 HB VAL A 782 22.349 -11.773 -14.184 1.00 0.00 H new ATOM 0 HG11 VAL A 782 20.697 -10.183 -13.293 1.00 0.00 H new ATOM 0 HG12 VAL A 782 21.915 -10.632 -12.076 1.00 0.00 H new ATOM 0 HG13 VAL A 782 22.012 -9.053 -12.890 1.00 0.00 H new ATOM 0 HG21 VAL A 782 21.278 -10.119 -15.673 1.00 0.00 H new ATOM 0 HG22 VAL A 782 22.627 -8.995 -15.379 1.00 0.00 H new ATOM 0 HG23 VAL A 782 22.920 -10.537 -16.218 1.00 0.00 H new ATOM 1045 N SER A 783 24.627 -10.745 -11.386 1.00 0.00 N ATOM 1046 CA SER A 783 24.996 -11.431 -10.170 1.00 0.00 C ATOM 1047 C SER A 783 24.070 -11.062 -9.018 1.00 0.00 C ATOM 1048 O SER A 783 23.646 -9.912 -8.876 1.00 0.00 O ATOM 1049 CB SER A 783 26.453 -11.123 -9.803 1.00 0.00 C ATOM 1050 OG SER A 783 26.906 -11.973 -8.762 1.00 0.00 O ATOM 0 H SER A 783 24.571 -9.730 -11.307 1.00 0.00 H new ATOM 0 HA SER A 783 24.895 -12.501 -10.349 1.00 0.00 H new ATOM 0 HB2 SER A 783 27.087 -11.248 -10.681 1.00 0.00 H new ATOM 0 HB3 SER A 783 26.541 -10.082 -9.492 1.00 0.00 H new ATOM 0 HG SER A 783 26.404 -12.814 -8.785 1.00 0.00 H new ATOM 1056 N LYS A 784 23.762 -12.063 -8.207 1.00 0.00 N ATOM 1057 CA LYS A 784 22.970 -11.880 -7.003 1.00 0.00 C ATOM 1058 C LYS A 784 23.905 -11.645 -5.839 1.00 0.00 C ATOM 1059 O LYS A 784 23.517 -11.199 -4.764 1.00 0.00 O ATOM 1060 CB LYS A 784 22.148 -13.137 -6.740 1.00 0.00 C ATOM 1061 CG LYS A 784 21.080 -13.390 -7.782 1.00 0.00 C ATOM 1062 CD LYS A 784 20.524 -14.806 -7.696 1.00 0.00 C ATOM 1063 CE LYS A 784 19.995 -15.138 -6.308 1.00 0.00 C ATOM 1064 NZ LYS A 784 19.449 -16.521 -6.233 1.00 0.00 N ATOM 0 H LYS A 784 24.056 -13.027 -8.367 1.00 0.00 H new ATOM 0 HA LYS A 784 22.301 -11.028 -7.125 1.00 0.00 H new ATOM 0 HB2 LYS A 784 22.817 -13.997 -6.701 1.00 0.00 H new ATOM 0 HB3 LYS A 784 21.676 -13.055 -5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 784 20.269 -12.673 -7.652 1.00 0.00 H new ATOM 0 HG3 LYS A 784 21.496 -13.223 -8.776 1.00 0.00 H new ATOM 0 HD2 LYS A 784 19.722 -14.924 -8.425 1.00 0.00 H new ATOM 0 HD3 LYS A 784 21.305 -15.517 -7.964 1.00 0.00 H new ATOM 0 HE2 LYS A 784 20.797 -15.025 -5.578 1.00 0.00 H new ATOM 0 HE3 LYS A 784 19.215 -14.426 -6.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 784 19.763 -16.971 -5.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 784 18.410 -16.486 -6.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 784 19.792 -17.074 -7.044 1.00 0.00 H new