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= 0.818 K(o=1.6,f=-7.8!) USER MOD Set 1.2: A 769 HIS : no HD1:sc= 0.77 K(o=1.6,f=-7.4!) USER MOD Set 1.3: A 771 SER OG : rot 180:sc= 0 USER MOD Single : A 728 HIS : no HD1:sc= -0.084 X(o=-0.084,f=0) USER MOD Single : A 732 MET CE :methyl -144:sc= -0.0325 (180deg=-0.329) USER MOD Single : A 737 MET CE :methyl 166:sc= -0.052 (180deg=-0.358) USER MOD Single : A 739 SER OG : rot 94:sc= 1.26 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 -156:sc= -0.196 (180deg=-0.86) USER MOD Single : A 743 GLN : amide:sc= -1.94 K(o=-1.9,f=-8.6e-05) USER MOD Single : A 749 SER OG : rot 180:sc= 0.0195 USER MOD Single : A 751 ASN : amide:sc= -5.67! K(o=-5.7!,f=-0.2) USER MOD Single : A 752 SER OG : rot 180:sc= 0.0128 USER MOD Single : A 753 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 760 GLN : amide:sc= -1.02 X(o=-1,f=-0.77) USER MOD Single : A 765 HIS : no HE2:sc= 1.17 K(o=1.2,f=-5.7!) USER MOD Single : A 781 THR OG1 : rot 180:sc= -0.0198 USER MOD Single : A 783 SER OG : rot 180:sc= 0 USER MOD Single : A 784 LYS NZ :NH3+ -109:sc= 0.135 (180deg=-0.451) USER MOD ----------------------------------------------------------------- ATOM 143 N HIS A 728 12.061 -11.357 -22.539 1.00 0.00 N ATOM 144 CA HIS A 728 12.700 -12.671 -22.567 1.00 0.00 C ATOM 145 C HIS A 728 13.729 -12.763 -21.447 1.00 0.00 C ATOM 146 O HIS A 728 13.705 -13.686 -20.633 1.00 0.00 O ATOM 147 CB HIS A 728 13.377 -12.919 -23.922 1.00 0.00 C ATOM 148 CG HIS A 728 14.007 -14.277 -24.060 1.00 0.00 C ATOM 149 ND1 HIS A 728 13.410 -15.347 -24.689 1.00 0.00 N ATOM 150 CD2 HIS A 728 15.223 -14.719 -23.643 1.00 0.00 C ATOM 151 CE1 HIS A 728 14.259 -16.384 -24.634 1.00 0.00 C ATOM 152 NE2 HIS A 728 15.375 -16.054 -24.010 1.00 0.00 N ATOM 0 HA HIS A 728 11.935 -13.434 -22.422 1.00 0.00 H new ATOM 0 HB2 HIS A 728 12.638 -12.792 -24.713 1.00 0.00 H new ATOM 0 HB3 HIS A 728 14.143 -12.159 -24.077 1.00 0.00 H new ATOM 0 HD2 HIS A 728 15.955 -14.129 -23.112 1.00 0.00 H new ATOM 0 HE1 HIS A 728 14.056 -17.361 -25.046 1.00 0.00 H new ATOM 0 HE2 HIS A 728 16.182 -16.653 -23.833 1.00 0.00 H new ATOM 160 N PHE A 729 14.606 -11.770 -21.390 1.00 0.00 N ATOM 161 CA PHE A 729 15.664 -11.743 -20.394 1.00 0.00 C ATOM 162 C PHE A 729 15.108 -11.487 -18.996 1.00 0.00 C ATOM 163 O PHE A 729 15.723 -11.872 -18.008 1.00 0.00 O ATOM 164 CB PHE A 729 16.708 -10.688 -20.755 1.00 0.00 C ATOM 165 CG PHE A 729 17.476 -11.013 -22.007 1.00 0.00 C ATOM 166 CD1 PHE A 729 18.135 -12.227 -22.134 1.00 0.00 C ATOM 167 CD2 PHE A 729 17.547 -10.106 -23.051 1.00 0.00 C ATOM 168 CE1 PHE A 729 18.847 -12.529 -23.278 1.00 0.00 C ATOM 169 CE2 PHE A 729 18.259 -10.404 -24.198 1.00 0.00 C ATOM 170 CZ PHE A 729 18.909 -11.617 -24.311 1.00 0.00 C ATOM 0 H PHE A 729 14.604 -10.971 -22.024 1.00 0.00 H new ATOM 0 HA PHE A 729 16.141 -12.723 -20.387 1.00 0.00 H new ATOM 0 HB2 PHE A 729 16.213 -9.725 -20.881 1.00 0.00 H new ATOM 0 HB3 PHE A 729 17.407 -10.581 -19.926 1.00 0.00 H new ATOM 0 HD1 PHE A 729 18.091 -12.945 -21.328 1.00 0.00 H new ATOM 0 HD2 PHE A 729 17.041 -9.156 -22.968 1.00 0.00 H new ATOM 0 HE1 PHE A 729 19.355 -13.478 -23.364 1.00 0.00 H new ATOM 0 HE2 PHE A 729 18.307 -9.688 -25.005 1.00 0.00 H new ATOM 0 HZ PHE A 729 19.465 -11.851 -25.207 1.00 0.00 H new ATOM 180 N ARG A 730 13.939 -10.857 -18.909 1.00 0.00 N ATOM 181 CA ARG A 730 13.329 -10.594 -17.608 1.00 0.00 C ATOM 182 C ARG A 730 12.844 -11.902 -16.994 1.00 0.00 C ATOM 183 O ARG A 730 12.994 -12.129 -15.793 1.00 0.00 O ATOM 184 CB ARG A 730 12.166 -9.599 -17.716 1.00 0.00 C ATOM 185 CG ARG A 730 11.735 -9.040 -16.367 1.00 0.00 C ATOM 186 CD ARG A 730 10.507 -8.148 -16.477 1.00 0.00 C ATOM 187 NE ARG A 730 10.683 -7.059 -17.442 1.00 0.00 N ATOM 188 CZ ARG A 730 10.414 -5.778 -17.189 1.00 0.00 C ATOM 189 NH1 ARG A 730 10.095 -5.375 -15.963 1.00 0.00 N ATOM 190 NH2 ARG A 730 10.489 -4.894 -18.168 1.00 0.00 N ATOM 0 H ARG A 730 13.402 -10.524 -19.710 1.00 0.00 H new ATOM 0 HA ARG A 730 14.087 -10.146 -16.966 1.00 0.00 H new ATOM 0 HB2 ARG A 730 12.459 -8.776 -18.368 1.00 0.00 H new ATOM 0 HB3 ARG A 730 11.316 -10.092 -18.187 1.00 0.00 H new ATOM 0 HG2 ARG A 730 11.523 -9.864 -15.686 1.00 0.00 H new ATOM 0 HG3 ARG A 730 12.557 -8.471 -15.933 1.00 0.00 H new ATOM 0 HD2 ARG A 730 9.649 -8.753 -16.770 1.00 0.00 H new ATOM 0 HD3 ARG A 730 10.280 -7.727 -15.498 1.00 0.00 H new ATOM 0 HE ARG A 730 11.035 -7.297 -18.369 1.00 0.00 H new ATOM 0 HH11 ARG A 730 10.053 -6.050 -15.199 1.00 0.00 H new ATOM 0 HH12 ARG A 730 9.892 -4.391 -15.786 1.00 0.00 H new ATOM 0 HH21 ARG A 730 10.751 -5.194 -19.107 1.00 0.00 H new ATOM 0 HH22 ARG A 730 10.285 -3.912 -17.985 1.00 0.00 H new ATOM 204 N ALA A 731 12.282 -12.766 -17.834 1.00 0.00 N ATOM 205 CA ALA A 731 11.858 -14.093 -17.402 1.00 0.00 C ATOM 206 C ALA A 731 13.066 -14.912 -16.960 1.00 0.00 C ATOM 207 O ALA A 731 13.025 -15.608 -15.946 1.00 0.00 O ATOM 208 CB ALA A 731 11.118 -14.805 -18.525 1.00 0.00 C ATOM 0 H ALA A 731 12.109 -12.570 -18.820 1.00 0.00 H new ATOM 0 HA ALA A 731 11.180 -13.985 -16.556 1.00 0.00 H new ATOM 0 HB1 ALA A 731 10.808 -15.794 -18.187 1.00 0.00 H new ATOM 0 HB2 ALA A 731 10.239 -14.226 -18.806 1.00 0.00 H new ATOM 0 HB3 ALA A 731 11.776 -14.906 -19.388 1.00 0.00 H new ATOM 214 N MET A 732 14.145 -14.800 -17.726 1.00 0.00 N ATOM 215 CA MET A 732 15.392 -15.486 -17.412 1.00 0.00 C ATOM 216 C MET A 732 15.917 -15.046 -16.046 1.00 0.00 C ATOM 217 O MET A 732 16.341 -15.869 -15.236 1.00 0.00 O ATOM 218 CB MET A 732 16.425 -15.184 -18.500 1.00 0.00 C ATOM 219 CG MET A 732 15.954 -15.559 -19.895 1.00 0.00 C ATOM 220 SD MET A 732 16.376 -17.245 -20.362 1.00 0.00 S ATOM 221 CE MET A 732 18.138 -17.070 -20.618 1.00 0.00 C ATOM 0 H MET A 732 14.180 -14.236 -18.575 1.00 0.00 H new ATOM 0 HA MET A 732 15.209 -16.560 -17.376 1.00 0.00 H new ATOM 0 HB2 MET A 732 16.665 -14.121 -18.478 1.00 0.00 H new ATOM 0 HB3 MET A 732 17.346 -15.723 -18.277 1.00 0.00 H new ATOM 0 HG2 MET A 732 14.873 -15.434 -19.951 1.00 0.00 H new ATOM 0 HG3 MET A 732 16.393 -14.869 -20.616 1.00 0.00 H new ATOM 0 HE1 MET A 732 18.450 -17.704 -21.448 1.00 0.00 H new ATOM 0 HE2 MET A 732 18.371 -16.030 -20.848 1.00 0.00 H new ATOM 0 HE3 MET A 732 18.668 -17.369 -19.714 1.00 0.00 H new ATOM 231 N ILE A 733 15.857 -13.742 -15.794 1.00 0.00 N ATOM 232 CA ILE A 733 16.354 -13.170 -14.548 1.00 0.00 C ATOM 233 C ILE A 733 15.478 -13.548 -13.351 1.00 0.00 C ATOM 234 O ILE A 733 15.996 -13.945 -12.309 1.00 0.00 O ATOM 235 CB ILE A 733 16.486 -11.629 -14.653 1.00 0.00 C ATOM 236 CG1 ILE A 733 17.674 -11.280 -15.554 1.00 0.00 C ATOM 237 CG2 ILE A 733 16.651 -10.985 -13.280 1.00 0.00 C ATOM 238 CD1 ILE A 733 17.883 -9.795 -15.753 1.00 0.00 C ATOM 0 H ILE A 733 15.466 -13.058 -16.442 1.00 0.00 H new ATOM 0 HA ILE A 733 17.344 -13.594 -14.380 1.00 0.00 H new ATOM 0 HB ILE A 733 15.568 -11.234 -15.089 1.00 0.00 H new ATOM 0 HG12 ILE A 733 18.580 -11.709 -15.125 1.00 0.00 H new ATOM 0 HG13 ILE A 733 17.528 -11.749 -16.527 1.00 0.00 H new ATOM 0 HG21 ILE A 733 16.740 -9.905 -13.393 1.00 0.00 H new ATOM 0 HG22 ILE A 733 15.782 -11.214 -12.664 1.00 0.00 H new ATOM 0 HG23 ILE A 733 17.549 -11.375 -12.801 1.00 0.00 H new ATOM 0 HD11 ILE A 733 18.743 -9.632 -16.403 1.00 0.00 H new ATOM 0 HD12 ILE A 733 16.995 -9.361 -16.212 1.00 0.00 H new ATOM 0 HD13 ILE A 733 18.062 -9.320 -14.788 1.00 0.00 H new ATOM 250 N VAL A 734 14.158 -13.453 -13.501 1.00 0.00 N ATOM 251 CA VAL A 734 13.252 -13.713 -12.381 1.00 0.00 C ATOM 252 C VAL A 734 13.359 -15.170 -11.908 1.00 0.00 C ATOM 253 O VAL A 734 13.303 -15.444 -10.709 1.00 0.00 O ATOM 254 CB VAL A 734 11.779 -13.356 -12.720 1.00 0.00 C ATOM 255 CG1 VAL A 734 11.206 -14.280 -13.782 1.00 0.00 C ATOM 256 CG2 VAL A 734 10.915 -13.387 -11.467 1.00 0.00 C ATOM 0 H VAL A 734 13.695 -13.201 -14.375 1.00 0.00 H new ATOM 0 HA VAL A 734 13.565 -13.060 -11.566 1.00 0.00 H new ATOM 0 HB VAL A 734 11.774 -12.344 -13.124 1.00 0.00 H new ATOM 0 HG11 VAL A 734 10.174 -13.998 -13.991 1.00 0.00 H new ATOM 0 HG12 VAL A 734 11.797 -14.197 -14.694 1.00 0.00 H new ATOM 0 HG13 VAL A 734 11.235 -15.309 -13.423 1.00 0.00 H new ATOM 0 HG21 VAL A 734 9.887 -13.134 -11.727 1.00 0.00 H new ATOM 0 HG22 VAL A 734 10.943 -14.385 -11.030 1.00 0.00 H new ATOM 0 HG23 VAL A 734 11.295 -12.664 -10.745 1.00 0.00 H new ATOM 266 N GLU A 735 13.539 -16.099 -12.842 1.00 0.00 N ATOM 267 CA GLU A 735 13.727 -17.501 -12.482 1.00 0.00 C ATOM 268 C GLU A 735 15.124 -17.714 -11.906 1.00 0.00 C ATOM 269 O GLU A 735 15.316 -18.503 -10.982 1.00 0.00 O ATOM 270 CB GLU A 735 13.499 -18.406 -13.695 1.00 0.00 C ATOM 271 CG GLU A 735 12.079 -18.353 -14.229 1.00 0.00 C ATOM 272 CD GLU A 735 11.828 -19.359 -15.330 1.00 0.00 C ATOM 273 OE1 GLU A 735 11.520 -20.529 -15.014 1.00 0.00 O ATOM 274 OE2 GLU A 735 11.912 -18.987 -16.517 1.00 0.00 O ATOM 0 H GLU A 735 13.559 -15.910 -13.844 1.00 0.00 H new ATOM 0 HA GLU A 735 12.993 -17.765 -11.721 1.00 0.00 H new ATOM 0 HB2 GLU A 735 14.189 -18.118 -14.489 1.00 0.00 H new ATOM 0 HB3 GLU A 735 13.738 -19.434 -13.422 1.00 0.00 H new ATOM 0 HG2 GLU A 735 11.381 -18.535 -13.411 1.00 0.00 H new ATOM 0 HG3 GLU A 735 11.875 -17.351 -14.606 1.00 0.00 H new ATOM 281 N PHE A 736 16.087 -16.990 -12.451 1.00 0.00 N ATOM 282 CA PHE A 736 17.458 -17.010 -11.957 1.00 0.00 C ATOM 283 C PHE A 736 17.519 -16.538 -10.503 1.00 0.00 C ATOM 284 O PHE A 736 18.283 -17.070 -9.692 1.00 0.00 O ATOM 285 CB PHE A 736 18.316 -16.126 -12.868 1.00 0.00 C ATOM 286 CG PHE A 736 19.621 -15.671 -12.287 1.00 0.00 C ATOM 287 CD1 PHE A 736 20.632 -16.573 -12.012 1.00 0.00 C ATOM 288 CD2 PHE A 736 19.835 -14.327 -12.032 1.00 0.00 C ATOM 289 CE1 PHE A 736 21.835 -16.141 -11.491 1.00 0.00 C ATOM 290 CE2 PHE A 736 21.034 -13.889 -11.514 1.00 0.00 C ATOM 291 CZ PHE A 736 22.036 -14.796 -11.242 1.00 0.00 C ATOM 0 H PHE A 736 15.943 -16.371 -13.249 1.00 0.00 H new ATOM 0 HA PHE A 736 17.844 -18.029 -11.976 1.00 0.00 H new ATOM 0 HB2 PHE A 736 18.520 -16.673 -13.788 1.00 0.00 H new ATOM 0 HB3 PHE A 736 17.735 -15.246 -13.143 1.00 0.00 H new ATOM 0 HD1 PHE A 736 20.479 -17.624 -12.206 1.00 0.00 H new ATOM 0 HD2 PHE A 736 19.052 -13.613 -12.242 1.00 0.00 H new ATOM 0 HE1 PHE A 736 22.619 -16.853 -11.278 1.00 0.00 H new ATOM 0 HE2 PHE A 736 21.189 -12.838 -11.321 1.00 0.00 H new ATOM 0 HZ PHE A 736 22.977 -14.456 -10.835 1.00 0.00 H new ATOM 301 N MET A 737 16.690 -15.558 -10.175 1.00 0.00 N ATOM 302 CA MET A 737 16.618 -15.021 -8.820 1.00 0.00 C ATOM 303 C MET A 737 16.150 -16.086 -7.831 1.00 0.00 C ATOM 304 O MET A 737 16.626 -16.146 -6.698 1.00 0.00 O ATOM 305 CB MET A 737 15.676 -13.815 -8.784 1.00 0.00 C ATOM 306 CG MET A 737 16.204 -12.612 -9.550 1.00 0.00 C ATOM 307 SD MET A 737 14.980 -11.304 -9.737 1.00 0.00 S ATOM 308 CE MET A 737 14.628 -10.920 -8.027 1.00 0.00 C ATOM 0 H MET A 737 16.051 -15.114 -10.834 1.00 0.00 H new ATOM 0 HA MET A 737 17.618 -14.703 -8.525 1.00 0.00 H new ATOM 0 HB2 MET A 737 14.711 -14.105 -9.199 1.00 0.00 H new ATOM 0 HB3 MET A 737 15.504 -13.529 -7.746 1.00 0.00 H new ATOM 0 HG2 MET A 737 17.077 -12.214 -9.033 1.00 0.00 H new ATOM 0 HG3 MET A 737 16.537 -12.934 -10.537 1.00 0.00 H new ATOM 0 HE1 MET A 737 14.086 -9.976 -7.970 1.00 0.00 H new ATOM 0 HE2 MET A 737 14.020 -11.714 -7.593 1.00 0.00 H new ATOM 0 HE3 MET A 737 15.563 -10.835 -7.473 1.00 0.00 H new ATOM 318 N ALA A 738 15.241 -16.942 -8.273 1.00 0.00 N ATOM 319 CA ALA A 738 14.699 -17.988 -7.414 1.00 0.00 C ATOM 320 C ALA A 738 15.577 -19.237 -7.436 1.00 0.00 C ATOM 321 O ALA A 738 15.465 -20.101 -6.565 1.00 0.00 O ATOM 322 CB ALA A 738 13.281 -18.332 -7.841 1.00 0.00 C ATOM 0 H ALA A 738 14.862 -16.934 -9.220 1.00 0.00 H new ATOM 0 HA ALA A 738 14.683 -17.610 -6.392 1.00 0.00 H new ATOM 0 HB1 ALA A 738 12.886 -19.114 -7.193 1.00 0.00 H new ATOM 0 HB2 ALA A 738 12.652 -17.445 -7.764 1.00 0.00 H new ATOM 0 HB3 ALA A 738 13.287 -18.684 -8.873 1.00 0.00 H new ATOM 328 N SER A 739 16.454 -19.324 -8.427 1.00 0.00 N ATOM 329 CA SER A 739 17.318 -20.489 -8.583 1.00 0.00 C ATOM 330 C SER A 739 18.574 -20.370 -7.717 1.00 0.00 C ATOM 331 O SER A 739 18.862 -19.309 -7.165 1.00 0.00 O ATOM 332 CB SER A 739 17.701 -20.663 -10.055 1.00 0.00 C ATOM 333 OG SER A 739 16.549 -20.864 -10.857 1.00 0.00 O ATOM 0 H SER A 739 16.587 -18.602 -9.136 1.00 0.00 H new ATOM 0 HA SER A 739 16.766 -21.368 -8.250 1.00 0.00 H new ATOM 0 HB2 SER A 739 18.241 -19.782 -10.401 1.00 0.00 H new ATOM 0 HB3 SER A 739 18.376 -21.512 -10.161 1.00 0.00 H new ATOM 0 HG SER A 739 16.244 -20.003 -11.213 1.00 0.00 H new ATOM 339 N LYS A 740 19.317 -21.467 -7.617 1.00 0.00 N ATOM 340 CA LYS A 740 20.502 -21.534 -6.764 1.00 0.00 C ATOM 341 C LYS A 740 21.675 -20.750 -7.349 1.00 0.00 C ATOM 342 O LYS A 740 22.643 -20.461 -6.644 1.00 0.00 O ATOM 343 CB LYS A 740 20.920 -22.995 -6.563 1.00 0.00 C ATOM 344 CG LYS A 740 21.312 -23.696 -7.857 1.00 0.00 C ATOM 345 CD LYS A 740 21.750 -25.132 -7.618 1.00 0.00 C ATOM 346 CE LYS A 740 20.600 -25.996 -7.126 1.00 0.00 C ATOM 347 NZ LYS A 740 21.020 -27.400 -6.902 1.00 0.00 N ATOM 0 H LYS A 740 19.118 -22.331 -8.121 1.00 0.00 H new ATOM 0 HA LYS A 740 20.239 -21.083 -5.807 1.00 0.00 H new ATOM 0 HB2 LYS A 740 21.760 -23.033 -5.869 1.00 0.00 H new ATOM 0 HB3 LYS A 740 20.098 -23.540 -6.098 1.00 0.00 H new ATOM 0 HG2 LYS A 740 20.467 -23.685 -8.545 1.00 0.00 H new ATOM 0 HG3 LYS A 740 22.121 -23.145 -8.337 1.00 0.00 H new ATOM 0 HD2 LYS A 740 22.149 -25.549 -8.542 1.00 0.00 H new ATOM 0 HD3 LYS A 740 22.557 -25.149 -6.886 1.00 0.00 H new ATOM 0 HE2 LYS A 740 20.206 -25.582 -6.198 1.00 0.00 H new ATOM 0 HE3 LYS A 740 19.790 -25.971 -7.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 20.208 -27.956 -6.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 21.372 -27.804 -7.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 21.776 -27.427 -6.188 1.00 0.00 H new ATOM 361 N LYS A 741 21.592 -20.425 -8.635 1.00 0.00 N ATOM 362 CA LYS A 741 22.675 -19.728 -9.316 1.00 0.00 C ATOM 363 C LYS A 741 22.952 -18.378 -8.665 1.00 0.00 C ATOM 364 O LYS A 741 22.030 -17.623 -8.345 1.00 0.00 O ATOM 365 CB LYS A 741 22.357 -19.527 -10.801 1.00 0.00 C ATOM 366 CG LYS A 741 22.140 -20.822 -11.570 1.00 0.00 C ATOM 367 CD LYS A 741 21.944 -20.560 -13.057 1.00 0.00 C ATOM 368 CE LYS A 741 21.802 -21.857 -13.839 1.00 0.00 C ATOM 369 NZ LYS A 741 21.731 -21.623 -15.306 1.00 0.00 N ATOM 0 H LYS A 741 20.787 -20.633 -9.225 1.00 0.00 H new ATOM 0 HA LYS A 741 23.565 -20.351 -9.229 1.00 0.00 H new ATOM 0 HB2 LYS A 741 21.463 -18.910 -10.890 1.00 0.00 H new ATOM 0 HB3 LYS A 741 23.174 -18.974 -11.265 1.00 0.00 H new ATOM 0 HG2 LYS A 741 22.996 -21.481 -11.425 1.00 0.00 H new ATOM 0 HG3 LYS A 741 21.268 -21.341 -11.173 1.00 0.00 H new ATOM 0 HD2 LYS A 741 21.056 -19.946 -13.205 1.00 0.00 H new ATOM 0 HD3 LYS A 741 22.791 -19.993 -13.442 1.00 0.00 H new ATOM 0 HE2 LYS A 741 22.648 -22.508 -13.617 1.00 0.00 H new ATOM 0 HE3 LYS A 741 20.903 -22.380 -13.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 741 21.635 -22.534 -15.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 741 20.909 -21.024 -15.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 741 22.600 -21.148 -15.624 1.00 0.00 H new ATOM 383 N MET A 742 24.228 -18.095 -8.458 1.00 0.00 N ATOM 384 CA MET A 742 24.659 -16.826 -7.890 1.00 0.00 C ATOM 385 C MET A 742 24.961 -15.834 -9.005 1.00 0.00 C ATOM 386 O MET A 742 24.847 -14.620 -8.822 1.00 0.00 O ATOM 387 CB MET A 742 25.906 -17.028 -7.026 1.00 0.00 C ATOM 388 CG MET A 742 25.701 -17.997 -5.872 1.00 0.00 C ATOM 389 SD MET A 742 27.228 -18.355 -4.979 1.00 0.00 S ATOM 390 CE MET A 742 28.204 -19.132 -6.266 1.00 0.00 C ATOM 0 H MET A 742 24.992 -18.735 -8.677 1.00 0.00 H new ATOM 0 HA MET A 742 23.857 -16.432 -7.266 1.00 0.00 H new ATOM 0 HB2 MET A 742 26.718 -17.393 -7.655 1.00 0.00 H new ATOM 0 HB3 MET A 742 26.221 -16.064 -6.627 1.00 0.00 H new ATOM 0 HG2 MET A 742 24.970 -17.580 -5.179 1.00 0.00 H new ATOM 0 HG3 MET A 742 25.283 -18.928 -6.255 1.00 0.00 H new ATOM 0 HE1 MET A 742 28.960 -19.774 -5.812 1.00 0.00 H new ATOM 0 HE2 MET A 742 27.554 -19.731 -6.904 1.00 0.00 H new ATOM 0 HE3 MET A 742 28.693 -18.364 -6.866 1.00 0.00 H new ATOM 400 N GLN A 743 25.331 -16.367 -10.164 1.00 0.00 N ATOM 401 CA GLN A 743 25.670 -15.549 -11.318 1.00 0.00 C ATOM 402 C GLN A 743 25.060 -16.141 -12.584 1.00 0.00 C ATOM 403 O GLN A 743 25.089 -17.357 -12.794 1.00 0.00 O ATOM 404 CB GLN A 743 27.194 -15.430 -11.474 1.00 0.00 C ATOM 405 CG GLN A 743 27.894 -16.758 -11.736 1.00 0.00 C ATOM 406 CD GLN A 743 29.388 -16.620 -11.967 1.00 0.00 C ATOM 407 OE1 GLN A 743 30.157 -17.530 -11.658 1.00 0.00 O ATOM 408 NE2 GLN A 743 29.811 -15.491 -12.515 1.00 0.00 N ATOM 0 H GLN A 743 25.404 -17.371 -10.328 1.00 0.00 H new ATOM 0 HA GLN A 743 25.260 -14.551 -11.160 1.00 0.00 H new ATOM 0 HB2 GLN A 743 27.413 -14.747 -12.295 1.00 0.00 H new ATOM 0 HB3 GLN A 743 27.608 -14.985 -10.570 1.00 0.00 H new ATOM 0 HG2 GLN A 743 27.725 -17.422 -10.888 1.00 0.00 H new ATOM 0 HG3 GLN A 743 27.442 -17.232 -12.607 1.00 0.00 H new ATOM 0 HE21 GLN A 743 29.142 -14.760 -12.757 1.00 0.00 H new ATOM 0 HE22 GLN A 743 30.805 -15.353 -12.695 1.00 0.00 H new ATOM 417 N LEU A 744 24.480 -15.286 -13.404 1.00 0.00 N ATOM 418 CA LEU A 744 23.920 -15.705 -14.674 1.00 0.00 C ATOM 419 C LEU A 744 24.730 -15.100 -15.805 1.00 0.00 C ATOM 420 O LEU A 744 24.656 -13.898 -16.068 1.00 0.00 O ATOM 421 CB LEU A 744 22.449 -15.293 -14.787 1.00 0.00 C ATOM 422 CG LEU A 744 21.700 -15.868 -15.994 1.00 0.00 C ATOM 423 CD1 LEU A 744 21.729 -17.390 -15.973 1.00 0.00 C ATOM 424 CD2 LEU A 744 20.266 -15.369 -16.013 1.00 0.00 C ATOM 0 H LEU A 744 24.384 -14.289 -13.211 1.00 0.00 H new ATOM 0 HA LEU A 744 23.966 -16.792 -14.738 1.00 0.00 H new ATOM 0 HB2 LEU A 744 21.931 -15.601 -13.878 1.00 0.00 H new ATOM 0 HB3 LEU A 744 22.396 -14.205 -14.831 1.00 0.00 H new ATOM 0 HG LEU A 744 22.201 -15.528 -16.900 1.00 0.00 H new ATOM 0 HD11 LEU A 744 21.191 -17.776 -16.839 1.00 0.00 H new ATOM 0 HD12 LEU A 744 22.763 -17.735 -16.004 1.00 0.00 H new ATOM 0 HD13 LEU A 744 21.254 -17.750 -15.061 1.00 0.00 H new ATOM 0 HD21 LEU A 744 19.747 -15.786 -16.876 1.00 0.00 H new ATOM 0 HD22 LEU A 744 19.760 -15.681 -15.099 1.00 0.00 H new ATOM 0 HD23 LEU A 744 20.260 -14.281 -16.077 1.00 0.00 H new ATOM 436 N GLU A 745 25.532 -15.929 -16.440 1.00 0.00 N ATOM 437 CA GLU A 745 26.380 -15.482 -17.527 1.00 0.00 C ATOM 438 C GLU A 745 25.660 -15.644 -18.857 1.00 0.00 C ATOM 439 O GLU A 745 25.380 -16.761 -19.293 1.00 0.00 O ATOM 440 CB GLU A 745 27.689 -16.269 -17.540 1.00 0.00 C ATOM 441 CG GLU A 745 28.474 -16.167 -16.243 1.00 0.00 C ATOM 442 CD GLU A 745 29.763 -16.960 -16.281 1.00 0.00 C ATOM 443 OE1 GLU A 745 29.733 -18.169 -15.970 1.00 0.00 O ATOM 444 OE2 GLU A 745 30.812 -16.381 -16.625 1.00 0.00 O ATOM 0 H GLU A 745 25.615 -16.922 -16.221 1.00 0.00 H new ATOM 0 HA GLU A 745 26.609 -14.427 -17.376 1.00 0.00 H new ATOM 0 HB2 GLU A 745 27.470 -17.318 -17.741 1.00 0.00 H new ATOM 0 HB3 GLU A 745 28.311 -15.910 -18.360 1.00 0.00 H new ATOM 0 HG2 GLU A 745 28.701 -15.120 -16.041 1.00 0.00 H new ATOM 0 HG3 GLU A 745 27.856 -16.524 -15.419 1.00 0.00 H new ATOM 451 N PHE A 746 25.343 -14.525 -19.483 1.00 0.00 N ATOM 452 CA PHE A 746 24.692 -14.542 -20.780 1.00 0.00 C ATOM 453 C PHE A 746 25.731 -14.657 -21.887 1.00 0.00 C ATOM 454 O PHE A 746 26.860 -14.197 -21.730 1.00 0.00 O ATOM 455 CB PHE A 746 23.855 -13.278 -20.978 1.00 0.00 C ATOM 456 CG PHE A 746 22.630 -13.210 -20.115 1.00 0.00 C ATOM 457 CD1 PHE A 746 21.435 -13.751 -20.555 1.00 0.00 C ATOM 458 CD2 PHE A 746 22.667 -12.595 -18.873 1.00 0.00 C ATOM 459 CE1 PHE A 746 20.297 -13.679 -19.778 1.00 0.00 C ATOM 460 CE2 PHE A 746 21.531 -12.524 -18.089 1.00 0.00 C ATOM 461 CZ PHE A 746 20.345 -13.066 -18.543 1.00 0.00 C ATOM 0 H PHE A 746 25.526 -13.592 -19.114 1.00 0.00 H new ATOM 0 HA PHE A 746 24.030 -15.407 -20.822 1.00 0.00 H new ATOM 0 HB2 PHE A 746 24.478 -12.407 -20.774 1.00 0.00 H new ATOM 0 HB3 PHE A 746 23.553 -13.216 -22.024 1.00 0.00 H new ATOM 0 HD1 PHE A 746 21.392 -14.236 -21.519 1.00 0.00 H new ATOM 0 HD2 PHE A 746 23.592 -12.168 -18.515 1.00 0.00 H new ATOM 0 HE1 PHE A 746 19.370 -14.102 -20.136 1.00 0.00 H new ATOM 0 HE2 PHE A 746 21.571 -12.045 -17.122 1.00 0.00 H new ATOM 0 HZ PHE A 746 19.456 -13.010 -17.932 1.00 0.00 H new ATOM 471 N PRO A 747 25.369 -15.279 -23.018 1.00 0.00 N ATOM 472 CA PRO A 747 26.281 -15.443 -24.148 1.00 0.00 C ATOM 473 C PRO A 747 26.619 -14.107 -24.810 1.00 0.00 C ATOM 474 O PRO A 747 25.878 -13.133 -24.675 1.00 0.00 O ATOM 475 CB PRO A 747 25.506 -16.334 -25.132 1.00 0.00 C ATOM 476 CG PRO A 747 24.317 -16.843 -24.387 1.00 0.00 C ATOM 477 CD PRO A 747 24.047 -15.864 -23.285 1.00 0.00 C ATOM 0 HA PRO A 747 27.233 -15.870 -23.833 1.00 0.00 H new ATOM 0 HB2 PRO A 747 25.201 -15.768 -26.012 1.00 0.00 H new ATOM 0 HB3 PRO A 747 26.127 -17.158 -25.483 1.00 0.00 H new ATOM 0 HG2 PRO A 747 23.454 -16.929 -25.048 1.00 0.00 H new ATOM 0 HG3 PRO A 747 24.510 -17.837 -23.983 1.00 0.00 H new ATOM 0 HD2 PRO A 747 23.326 -15.105 -23.589 1.00 0.00 H new ATOM 0 HD3 PRO A 747 23.639 -16.356 -22.402 1.00 0.00 H new ATOM 485 N PRO A 748 27.743 -14.046 -25.547 1.00 0.00 N ATOM 486 CA PRO A 748 28.143 -12.841 -26.293 1.00 0.00 C ATOM 487 C PRO A 748 27.180 -12.512 -27.435 1.00 0.00 C ATOM 488 O PRO A 748 27.309 -11.484 -28.097 1.00 0.00 O ATOM 489 CB PRO A 748 29.520 -13.203 -26.855 1.00 0.00 C ATOM 490 CG PRO A 748 29.567 -14.691 -26.852 1.00 0.00 C ATOM 491 CD PRO A 748 28.727 -15.132 -25.689 1.00 0.00 C ATOM 0 HA PRO A 748 28.145 -11.958 -25.654 1.00 0.00 H new ATOM 0 HB2 PRO A 748 29.650 -12.807 -27.862 1.00 0.00 H new ATOM 0 HB3 PRO A 748 30.318 -12.783 -26.242 1.00 0.00 H new ATOM 0 HG2 PRO A 748 29.180 -15.095 -27.788 1.00 0.00 H new ATOM 0 HG3 PRO A 748 30.592 -15.048 -26.750 1.00 0.00 H new ATOM 0 HD2 PRO A 748 28.243 -16.089 -25.883 1.00 0.00 H new ATOM 0 HD3 PRO A 748 29.324 -15.254 -24.785 1.00 0.00 H new ATOM 499 N SER A 749 26.221 -13.407 -27.650 1.00 0.00 N ATOM 500 CA SER A 749 25.199 -13.249 -28.673 1.00 0.00 C ATOM 501 C SER A 749 24.316 -12.031 -28.397 1.00 0.00 C ATOM 502 O SER A 749 23.649 -11.519 -29.299 1.00 0.00 O ATOM 503 CB SER A 749 24.337 -14.508 -28.711 1.00 0.00 C ATOM 504 OG SER A 749 25.144 -15.673 -28.617 1.00 0.00 O ATOM 0 H SER A 749 26.133 -14.270 -27.113 1.00 0.00 H new ATOM 0 HA SER A 749 25.691 -13.096 -29.634 1.00 0.00 H new ATOM 0 HB2 SER A 749 23.621 -14.489 -27.890 1.00 0.00 H new ATOM 0 HB3 SER A 749 23.761 -14.532 -29.636 1.00 0.00 H new ATOM 0 HG SER A 749 24.573 -16.469 -28.641 1.00 0.00 H new ATOM 510 N LEU A 750 24.303 -11.587 -27.145 1.00 0.00 N ATOM 511 CA LEU A 750 23.545 -10.408 -26.752 1.00 0.00 C ATOM 512 C LEU A 750 24.168 -9.152 -27.352 1.00 0.00 C ATOM 513 O LEU A 750 25.284 -8.773 -26.993 1.00 0.00 O ATOM 514 CB LEU A 750 23.501 -10.271 -25.224 1.00 0.00 C ATOM 515 CG LEU A 750 22.479 -11.145 -24.492 1.00 0.00 C ATOM 516 CD1 LEU A 750 22.818 -12.622 -24.615 1.00 0.00 C ATOM 517 CD2 LEU A 750 22.404 -10.726 -23.034 1.00 0.00 C ATOM 0 H LEU A 750 24.813 -12.030 -26.381 1.00 0.00 H new ATOM 0 HA LEU A 750 22.528 -10.524 -27.127 1.00 0.00 H new ATOM 0 HB2 LEU A 750 24.491 -10.502 -24.832 1.00 0.00 H new ATOM 0 HB3 LEU A 750 23.296 -9.229 -24.980 1.00 0.00 H new ATOM 0 HG LEU A 750 21.504 -11.000 -24.957 1.00 0.00 H new ATOM 0 HD11 LEU A 750 22.071 -13.212 -24.084 1.00 0.00 H new ATOM 0 HD12 LEU A 750 22.825 -12.907 -25.667 1.00 0.00 H new ATOM 0 HD13 LEU A 750 23.801 -12.807 -24.183 1.00 0.00 H new ATOM 0 HD21 LEU A 750 21.676 -11.349 -22.513 1.00 0.00 H new ATOM 0 HD22 LEU A 750 23.383 -10.847 -22.570 1.00 0.00 H new ATOM 0 HD23 LEU A 750 22.099 -9.681 -22.971 1.00 0.00 H new ATOM 529 N ASN A 751 23.447 -8.503 -28.257 1.00 0.00 N ATOM 530 CA ASN A 751 23.941 -7.279 -28.878 1.00 0.00 C ATOM 531 C ASN A 751 23.621 -6.074 -27.998 1.00 0.00 C ATOM 532 O ASN A 751 23.236 -6.235 -26.840 1.00 0.00 O ATOM 533 CB ASN A 751 23.380 -7.103 -30.306 1.00 0.00 C ATOM 534 CG ASN A 751 21.860 -7.131 -30.416 1.00 0.00 C ATOM 535 OD1 ASN A 751 21.318 -7.647 -31.389 1.00 0.00 O ATOM 536 ND2 ASN A 751 21.162 -6.554 -29.456 1.00 0.00 N ATOM 0 H ASN A 751 22.525 -8.800 -28.576 1.00 0.00 H new ATOM 0 HA ASN A 751 25.024 -7.356 -28.970 1.00 0.00 H new ATOM 0 HB2 ASN A 751 23.739 -6.155 -30.706 1.00 0.00 H new ATOM 0 HB3 ASN A 751 23.788 -7.891 -30.939 1.00 0.00 H new ATOM 0 HD21 ASN A 751 20.144 -6.529 -29.511 1.00 0.00 H new ATOM 0 HD22 ASN A 751 21.641 -6.134 -28.659 1.00 0.00 H new ATOM 543 N SER A 752 23.776 -4.877 -28.547 1.00 0.00 N ATOM 544 CA SER A 752 23.565 -3.642 -27.796 1.00 0.00 C ATOM 545 C SER A 752 22.200 -3.629 -27.101 1.00 0.00 C ATOM 546 O SER A 752 22.118 -3.398 -25.895 1.00 0.00 O ATOM 547 CB SER A 752 23.698 -2.450 -28.743 1.00 0.00 C ATOM 548 OG SER A 752 24.854 -2.584 -29.559 1.00 0.00 O ATOM 0 H SER A 752 24.050 -4.732 -29.519 1.00 0.00 H new ATOM 0 HA SER A 752 24.323 -3.577 -27.015 1.00 0.00 H new ATOM 0 HB2 SER A 752 22.810 -2.377 -29.371 1.00 0.00 H new ATOM 0 HB3 SER A 752 23.758 -1.526 -28.167 1.00 0.00 H new ATOM 0 HG SER A 752 24.922 -1.813 -30.160 1.00 0.00 H new ATOM 554 N HIS A 753 21.140 -3.890 -27.863 1.00 0.00 N ATOM 555 CA HIS A 753 19.786 -3.927 -27.317 1.00 0.00 C ATOM 556 C HIS A 753 19.657 -4.984 -26.220 1.00 0.00 C ATOM 557 O HIS A 753 19.159 -4.695 -25.132 1.00 0.00 O ATOM 558 CB HIS A 753 18.779 -4.203 -28.438 1.00 0.00 C ATOM 559 CG HIS A 753 17.351 -4.297 -27.984 1.00 0.00 C ATOM 560 ND1 HIS A 753 16.588 -5.442 -28.072 1.00 0.00 N ATOM 561 CD2 HIS A 753 16.545 -3.351 -27.439 1.00 0.00 C ATOM 562 CE1 HIS A 753 15.370 -5.164 -27.590 1.00 0.00 C ATOM 563 NE2 HIS A 753 15.292 -3.908 -27.192 1.00 0.00 N ATOM 0 H HIS A 753 21.194 -4.080 -28.864 1.00 0.00 H new ATOM 0 HA HIS A 753 19.573 -2.955 -26.871 1.00 0.00 H new ATOM 0 HB2 HIS A 753 18.859 -3.412 -29.183 1.00 0.00 H new ATOM 0 HB3 HIS A 753 19.052 -5.135 -28.933 1.00 0.00 H new ATOM 0 HD2 HIS A 753 16.829 -2.330 -27.230 1.00 0.00 H new ATOM 0 HE1 HIS A 753 14.558 -5.874 -27.534 1.00 0.00 H new ATOM 0 HE2 HIS A 753 14.481 -3.441 -26.787 1.00 0.00 H new ATOM 571 N ASP A 754 20.114 -6.200 -26.511 1.00 0.00 N ATOM 572 CA ASP A 754 19.992 -7.318 -25.577 1.00 0.00 C ATOM 573 C ASP A 754 20.638 -6.990 -24.241 1.00 0.00 C ATOM 574 O ASP A 754 19.987 -7.065 -23.200 1.00 0.00 O ATOM 575 CB ASP A 754 20.633 -8.588 -26.137 1.00 0.00 C ATOM 576 CG ASP A 754 20.018 -9.059 -27.437 1.00 0.00 C ATOM 577 OD1 ASP A 754 18.792 -9.280 -27.489 1.00 0.00 O ATOM 578 OD2 ASP A 754 20.769 -9.225 -28.416 1.00 0.00 O ATOM 0 H ASP A 754 20.574 -6.437 -27.390 1.00 0.00 H new ATOM 0 HA ASP A 754 18.926 -7.490 -25.432 1.00 0.00 H new ATOM 0 HB2 ASP A 754 21.697 -8.409 -26.293 1.00 0.00 H new ATOM 0 HB3 ASP A 754 20.549 -9.383 -25.397 1.00 0.00 H new ATOM 583 N ARG A 755 21.922 -6.618 -24.274 1.00 0.00 N ATOM 584 CA ARG A 755 22.648 -6.283 -23.049 1.00 0.00 C ATOM 585 C ARG A 755 21.933 -5.173 -22.298 1.00 0.00 C ATOM 586 O ARG A 755 21.674 -5.290 -21.105 1.00 0.00 O ATOM 587 CB ARG A 755 24.084 -5.837 -23.346 1.00 0.00 C ATOM 588 CG ARG A 755 24.969 -6.916 -23.940 1.00 0.00 C ATOM 589 CD ARG A 755 26.407 -6.429 -24.051 1.00 0.00 C ATOM 590 NE ARG A 755 27.305 -7.412 -24.666 1.00 0.00 N ATOM 591 CZ ARG A 755 27.767 -7.320 -25.920 1.00 0.00 C ATOM 592 NH1 ARG A 755 27.409 -6.301 -26.695 1.00 0.00 N ATOM 593 NH2 ARG A 755 28.592 -8.245 -26.395 1.00 0.00 N ATOM 0 H ARG A 755 22.474 -6.542 -25.128 1.00 0.00 H new ATOM 0 HA ARG A 755 22.682 -7.185 -22.438 1.00 0.00 H new ATOM 0 HB2 ARG A 755 24.053 -4.991 -24.033 1.00 0.00 H new ATOM 0 HB3 ARG A 755 24.539 -5.480 -22.422 1.00 0.00 H new ATOM 0 HG2 ARG A 755 24.929 -7.810 -23.318 1.00 0.00 H new ATOM 0 HG3 ARG A 755 24.597 -7.197 -24.925 1.00 0.00 H new ATOM 0 HD2 ARG A 755 26.428 -5.510 -24.637 1.00 0.00 H new ATOM 0 HD3 ARG A 755 26.777 -6.181 -23.056 1.00 0.00 H new ATOM 0 HE ARG A 755 27.595 -8.213 -24.106 1.00 0.00 H new ATOM 0 HH11 ARG A 755 26.779 -5.584 -26.336 1.00 0.00 H new ATOM 0 HH12 ARG A 755 27.764 -6.236 -27.649 1.00 0.00 H new ATOM 0 HH21 ARG A 755 28.875 -9.027 -25.805 1.00 0.00 H new ATOM 0 HH22 ARG A 755 28.943 -8.173 -27.350 1.00 0.00 H new ATOM 607 N LEU A 756 21.605 -4.111 -23.027 1.00 0.00 N ATOM 608 CA LEU A 756 20.952 -2.936 -22.464 1.00 0.00 C ATOM 609 C LEU A 756 19.692 -3.320 -21.695 1.00 0.00 C ATOM 610 O LEU A 756 19.467 -2.845 -20.580 1.00 0.00 O ATOM 611 CB LEU A 756 20.636 -1.951 -23.600 1.00 0.00 C ATOM 612 CG LEU A 756 19.990 -0.615 -23.213 1.00 0.00 C ATOM 613 CD1 LEU A 756 18.487 -0.757 -23.012 1.00 0.00 C ATOM 614 CD2 LEU A 756 20.650 -0.029 -21.973 1.00 0.00 C ATOM 0 H LEU A 756 21.786 -4.042 -24.028 1.00 0.00 H new ATOM 0 HA LEU A 756 21.622 -2.457 -21.750 1.00 0.00 H new ATOM 0 HB2 LEU A 756 21.565 -1.736 -24.128 1.00 0.00 H new ATOM 0 HB3 LEU A 756 19.976 -2.453 -24.307 1.00 0.00 H new ATOM 0 HG LEU A 756 20.147 0.076 -24.041 1.00 0.00 H new ATOM 0 HD11 LEU A 756 18.064 0.210 -22.739 1.00 0.00 H new ATOM 0 HD12 LEU A 756 18.028 -1.106 -23.937 1.00 0.00 H new ATOM 0 HD13 LEU A 756 18.293 -1.476 -22.216 1.00 0.00 H new ATOM 0 HD21 LEU A 756 20.173 0.918 -21.720 1.00 0.00 H new ATOM 0 HD22 LEU A 756 20.541 -0.724 -21.140 1.00 0.00 H new ATOM 0 HD23 LEU A 756 21.709 0.139 -22.169 1.00 0.00 H new ATOM 626 N ARG A 757 18.873 -4.173 -22.294 1.00 0.00 N ATOM 627 CA ARG A 757 17.658 -4.633 -21.637 1.00 0.00 C ATOM 628 C ARG A 757 17.999 -5.356 -20.335 1.00 0.00 C ATOM 629 O ARG A 757 17.392 -5.093 -19.301 1.00 0.00 O ATOM 630 CB ARG A 757 16.841 -5.553 -22.552 1.00 0.00 C ATOM 631 CG ARG A 757 16.340 -4.882 -23.824 1.00 0.00 C ATOM 632 CD ARG A 757 15.395 -3.724 -23.530 1.00 0.00 C ATOM 633 NE ARG A 757 14.132 -4.167 -22.937 1.00 0.00 N ATOM 634 CZ ARG A 757 13.281 -3.354 -22.300 1.00 0.00 C ATOM 635 NH1 ARG A 757 13.564 -2.062 -22.165 1.00 0.00 N ATOM 636 NH2 ARG A 757 12.143 -3.832 -21.807 1.00 0.00 N ATOM 0 H ARG A 757 19.026 -4.558 -23.226 1.00 0.00 H new ATOM 0 HA ARG A 757 17.051 -3.757 -21.410 1.00 0.00 H new ATOM 0 HB2 ARG A 757 17.453 -6.413 -22.825 1.00 0.00 H new ATOM 0 HB3 ARG A 757 15.986 -5.935 -21.995 1.00 0.00 H new ATOM 0 HG2 ARG A 757 17.191 -4.517 -24.400 1.00 0.00 H new ATOM 0 HG3 ARG A 757 15.828 -5.618 -24.444 1.00 0.00 H new ATOM 0 HD2 ARG A 757 15.884 -3.023 -22.853 1.00 0.00 H new ATOM 0 HD3 ARG A 757 15.189 -3.184 -24.454 1.00 0.00 H new ATOM 0 HE ARG A 757 13.886 -5.154 -23.014 1.00 0.00 H new ATOM 0 HH11 ARG A 757 14.432 -1.687 -22.548 1.00 0.00 H new ATOM 0 HH12 ARG A 757 12.913 -1.445 -21.679 1.00 0.00 H new ATOM 0 HH21 ARG A 757 11.916 -4.821 -21.914 1.00 0.00 H new ATOM 0 HH22 ARG A 757 11.496 -3.210 -21.322 1.00 0.00 H new ATOM 650 N VAL A 758 18.990 -6.245 -20.387 1.00 0.00 N ATOM 651 CA VAL A 758 19.422 -6.986 -19.202 1.00 0.00 C ATOM 652 C VAL A 758 19.913 -6.037 -18.115 1.00 0.00 C ATOM 653 O VAL A 758 19.525 -6.166 -16.952 1.00 0.00 O ATOM 654 CB VAL A 758 20.546 -7.993 -19.530 1.00 0.00 C ATOM 655 CG1 VAL A 758 20.995 -8.725 -18.277 1.00 0.00 C ATOM 656 CG2 VAL A 758 20.093 -8.986 -20.582 1.00 0.00 C ATOM 0 H VAL A 758 19.509 -6.470 -21.236 1.00 0.00 H new ATOM 0 HA VAL A 758 18.551 -7.536 -18.845 1.00 0.00 H new ATOM 0 HB VAL A 758 21.392 -7.432 -19.927 1.00 0.00 H new ATOM 0 HG11 VAL A 758 21.787 -9.429 -18.531 1.00 0.00 H new ATOM 0 HG12 VAL A 758 21.369 -8.005 -17.549 1.00 0.00 H new ATOM 0 HG13 VAL A 758 20.151 -9.267 -17.850 1.00 0.00 H new ATOM 0 HG21 VAL A 758 20.902 -9.684 -20.796 1.00 0.00 H new ATOM 0 HG22 VAL A 758 19.227 -9.536 -20.214 1.00 0.00 H new ATOM 0 HG23 VAL A 758 19.824 -8.453 -21.494 1.00 0.00 H new ATOM 666 N HIS A 759 20.761 -5.088 -18.506 1.00 0.00 N ATOM 667 CA HIS A 759 21.286 -4.089 -17.578 1.00 0.00 C ATOM 668 C HIS A 759 20.153 -3.403 -16.828 1.00 0.00 C ATOM 669 O HIS A 759 20.107 -3.431 -15.602 1.00 0.00 O ATOM 670 CB HIS A 759 22.123 -3.034 -18.312 1.00 0.00 C ATOM 671 CG HIS A 759 23.451 -3.527 -18.807 1.00 0.00 C ATOM 672 ND1 HIS A 759 24.441 -3.897 -17.935 1.00 0.00 N ATOM 673 CD2 HIS A 759 23.906 -3.666 -20.075 1.00 0.00 C ATOM 674 CE1 HIS A 759 25.467 -4.252 -18.675 1.00 0.00 C ATOM 675 NE2 HIS A 759 25.196 -4.129 -19.985 1.00 0.00 N ATOM 0 H HIS A 759 21.100 -4.990 -19.463 1.00 0.00 H new ATOM 0 HA HIS A 759 21.926 -4.610 -16.866 1.00 0.00 H new ATOM 0 HB2 HIS A 759 21.550 -2.659 -19.160 1.00 0.00 H new ATOM 0 HB3 HIS A 759 22.290 -2.190 -17.642 1.00 0.00 H new ATOM 0 HD1 HIS A 759 24.391 -3.897 -16.916 1.00 0.00 H new ATOM 0 HD2 HIS A 759 23.360 -3.454 -20.982 1.00 0.00 H new ATOM 0 HE1 HIS A 759 26.410 -4.599 -18.280 1.00 0.00 H new ATOM 683 N GLN A 760 19.229 -2.814 -17.579 1.00 0.00 N ATOM 684 CA GLN A 760 18.107 -2.090 -16.993 1.00 0.00 C ATOM 685 C GLN A 760 17.233 -2.991 -16.124 1.00 0.00 C ATOM 686 O GLN A 760 16.809 -2.590 -15.042 1.00 0.00 O ATOM 687 CB GLN A 760 17.277 -1.437 -18.095 1.00 0.00 C ATOM 688 CG GLN A 760 17.896 -0.155 -18.616 1.00 0.00 C ATOM 689 CD GLN A 760 17.083 0.490 -19.720 1.00 0.00 C ATOM 690 OE1 GLN A 760 15.869 0.309 -19.804 1.00 0.00 O ATOM 691 NE2 GLN A 760 17.743 1.273 -20.559 1.00 0.00 N ATOM 0 H GLN A 760 19.235 -2.824 -18.599 1.00 0.00 H new ATOM 0 HA GLN A 760 18.514 -1.317 -16.342 1.00 0.00 H new ATOM 0 HB2 GLN A 760 17.160 -2.140 -18.920 1.00 0.00 H new ATOM 0 HB3 GLN A 760 16.278 -1.224 -17.713 1.00 0.00 H new ATOM 0 HG2 GLN A 760 18.004 0.551 -17.792 1.00 0.00 H new ATOM 0 HG3 GLN A 760 18.899 -0.367 -18.987 1.00 0.00 H new ATOM 0 HE21 GLN A 760 18.750 1.397 -20.456 1.00 0.00 H new ATOM 0 HE22 GLN A 760 17.244 1.752 -21.309 1.00 0.00 H new ATOM 700 N ILE A 761 16.971 -4.206 -16.590 1.00 0.00 N ATOM 701 CA ILE A 761 16.157 -5.149 -15.825 1.00 0.00 C ATOM 702 C ILE A 761 16.829 -5.495 -14.498 1.00 0.00 C ATOM 703 O ILE A 761 16.215 -5.394 -13.437 1.00 0.00 O ATOM 704 CB ILE A 761 15.875 -6.445 -16.621 1.00 0.00 C ATOM 705 CG1 ILE A 761 14.996 -6.131 -17.834 1.00 0.00 C ATOM 706 CG2 ILE A 761 15.202 -7.489 -15.735 1.00 0.00 C ATOM 707 CD1 ILE A 761 14.853 -7.288 -18.801 1.00 0.00 C ATOM 0 H ILE A 761 17.306 -4.562 -17.485 1.00 0.00 H new ATOM 0 HA ILE A 761 15.204 -4.658 -15.627 1.00 0.00 H new ATOM 0 HB ILE A 761 16.825 -6.854 -16.966 1.00 0.00 H new ATOM 0 HG12 ILE A 761 14.006 -5.835 -17.487 1.00 0.00 H new ATOM 0 HG13 ILE A 761 15.416 -5.276 -18.364 1.00 0.00 H new ATOM 0 HG21 ILE A 761 15.013 -8.392 -16.316 1.00 0.00 H new ATOM 0 HG22 ILE A 761 15.854 -7.728 -14.895 1.00 0.00 H new ATOM 0 HG23 ILE A 761 14.257 -7.094 -15.361 1.00 0.00 H new ATOM 0 HD11 ILE A 761 14.216 -6.989 -19.634 1.00 0.00 H new ATOM 0 HD12 ILE A 761 15.836 -7.570 -19.178 1.00 0.00 H new ATOM 0 HD13 ILE A 761 14.404 -8.138 -18.287 1.00 0.00 H new ATOM 719 N ALA A 762 18.099 -5.873 -14.558 1.00 0.00 N ATOM 720 CA ALA A 762 18.844 -6.231 -13.356 1.00 0.00 C ATOM 721 C ALA A 762 18.989 -5.024 -12.436 1.00 0.00 C ATOM 722 O ALA A 762 18.930 -5.151 -11.212 1.00 0.00 O ATOM 723 CB ALA A 762 20.211 -6.785 -13.723 1.00 0.00 C ATOM 0 H ALA A 762 18.635 -5.940 -15.423 1.00 0.00 H new ATOM 0 HA ALA A 762 18.288 -7.004 -12.825 1.00 0.00 H new ATOM 0 HB1 ALA A 762 20.753 -7.047 -12.814 1.00 0.00 H new ATOM 0 HB2 ALA A 762 20.089 -7.674 -14.342 1.00 0.00 H new ATOM 0 HB3 ALA A 762 20.772 -6.032 -14.276 1.00 0.00 H new ATOM 729 N GLU A 763 19.166 -3.861 -13.042 1.00 0.00 N ATOM 730 CA GLU A 763 19.299 -2.607 -12.314 1.00 0.00 C ATOM 731 C GLU A 763 17.999 -2.270 -11.582 1.00 0.00 C ATOM 732 O GLU A 763 18.017 -1.811 -10.439 1.00 0.00 O ATOM 733 CB GLU A 763 19.675 -1.499 -13.302 1.00 0.00 C ATOM 734 CG GLU A 763 20.106 -0.194 -12.663 1.00 0.00 C ATOM 735 CD GLU A 763 20.744 0.741 -13.671 1.00 0.00 C ATOM 736 OE1 GLU A 763 20.007 1.397 -14.437 1.00 0.00 O ATOM 737 OE2 GLU A 763 21.990 0.818 -13.709 1.00 0.00 O ATOM 0 H GLU A 763 19.222 -3.759 -14.055 1.00 0.00 H new ATOM 0 HA GLU A 763 20.083 -2.700 -11.563 1.00 0.00 H new ATOM 0 HB2 GLU A 763 20.483 -1.859 -13.939 1.00 0.00 H new ATOM 0 HB3 GLU A 763 18.820 -1.305 -13.950 1.00 0.00 H new ATOM 0 HG2 GLU A 763 19.242 0.293 -12.212 1.00 0.00 H new ATOM 0 HG3 GLU A 763 20.813 -0.399 -11.859 1.00 0.00 H new ATOM 744 N GLU A 764 16.875 -2.518 -12.245 1.00 0.00 N ATOM 745 CA GLU A 764 15.560 -2.293 -11.653 1.00 0.00 C ATOM 746 C GLU A 764 15.322 -3.293 -10.522 1.00 0.00 C ATOM 747 O GLU A 764 14.855 -2.929 -9.442 1.00 0.00 O ATOM 748 CB GLU A 764 14.476 -2.418 -12.738 1.00 0.00 C ATOM 749 CG GLU A 764 13.126 -1.809 -12.372 1.00 0.00 C ATOM 750 CD GLU A 764 12.237 -2.734 -11.559 1.00 0.00 C ATOM 751 OE1 GLU A 764 11.541 -3.582 -12.162 1.00 0.00 O ATOM 752 OE2 GLU A 764 12.204 -2.605 -10.317 1.00 0.00 O ATOM 0 H GLU A 764 16.848 -2.877 -13.199 1.00 0.00 H new ATOM 0 HA GLU A 764 15.514 -1.288 -11.234 1.00 0.00 H new ATOM 0 HB2 GLU A 764 14.838 -1.941 -13.649 1.00 0.00 H new ATOM 0 HB3 GLU A 764 14.332 -3.474 -12.967 1.00 0.00 H new ATOM 0 HG2 GLU A 764 13.293 -0.892 -11.807 1.00 0.00 H new ATOM 0 HG3 GLU A 764 12.604 -1.530 -13.287 1.00 0.00 H new ATOM 759 N HIS A 765 15.683 -4.549 -10.767 1.00 0.00 N ATOM 760 CA HIS A 765 15.512 -5.612 -9.777 1.00 0.00 C ATOM 761 C HIS A 765 16.457 -5.429 -8.594 1.00 0.00 C ATOM 762 O HIS A 765 16.259 -6.027 -7.536 1.00 0.00 O ATOM 763 CB HIS A 765 15.732 -6.987 -10.415 1.00 0.00 C ATOM 764 CG HIS A 765 14.578 -7.465 -11.249 1.00 0.00 C ATOM 765 ND1 HIS A 765 14.111 -8.761 -11.243 1.00 0.00 N ATOM 766 CD2 HIS A 765 13.789 -6.790 -12.128 1.00 0.00 C ATOM 767 CE1 HIS A 765 13.082 -8.834 -12.095 1.00 0.00 C ATOM 768 NE2 HIS A 765 12.845 -7.664 -12.659 1.00 0.00 N ATOM 0 H HIS A 765 16.098 -4.858 -11.646 1.00 0.00 H new ATOM 0 HA HIS A 765 14.488 -5.553 -9.407 1.00 0.00 H new ATOM 0 HB2 HIS A 765 16.626 -6.948 -11.038 1.00 0.00 H new ATOM 0 HB3 HIS A 765 15.924 -7.715 -9.627 1.00 0.00 H new ATOM 0 HD1 HIS A 765 14.484 -9.530 -10.687 1.00 0.00 H new ATOM 0 HD2 HIS A 765 13.881 -5.743 -12.375 1.00 0.00 H new ATOM 0 HE1 HIS A 765 12.518 -9.733 -12.295 1.00 0.00 H new ATOM 776 N GLY A 766 17.483 -4.609 -8.776 1.00 0.00 N ATOM 777 CA GLY A 766 18.411 -4.334 -7.700 1.00 0.00 C ATOM 778 C GLY A 766 19.497 -5.381 -7.592 1.00 0.00 C ATOM 779 O GLY A 766 19.944 -5.715 -6.495 1.00 0.00 O ATOM 0 H GLY A 766 17.689 -4.129 -9.652 1.00 0.00 H new ATOM 0 HA2 GLY A 766 18.867 -3.357 -7.858 1.00 0.00 H new ATOM 0 HA3 GLY A 766 17.865 -4.282 -6.758 1.00 0.00 H new ATOM 783 N LEU A 767 19.920 -5.905 -8.735 1.00 0.00 N ATOM 784 CA LEU A 767 20.975 -6.907 -8.775 1.00 0.00 C ATOM 785 C LEU A 767 22.235 -6.313 -9.392 1.00 0.00 C ATOM 786 O LEU A 767 22.217 -5.187 -9.890 1.00 0.00 O ATOM 787 CB LEU A 767 20.529 -8.126 -9.588 1.00 0.00 C ATOM 788 CG LEU A 767 19.245 -8.805 -9.105 1.00 0.00 C ATOM 789 CD1 LEU A 767 18.866 -9.945 -10.034 1.00 0.00 C ATOM 790 CD2 LEU A 767 19.410 -9.313 -7.681 1.00 0.00 C ATOM 0 H LEU A 767 19.546 -5.651 -9.650 1.00 0.00 H new ATOM 0 HA LEU A 767 21.187 -7.224 -7.754 1.00 0.00 H new ATOM 0 HB2 LEU A 767 20.389 -7.819 -10.624 1.00 0.00 H new ATOM 0 HB3 LEU A 767 21.334 -8.861 -9.579 1.00 0.00 H new ATOM 0 HG LEU A 767 18.442 -8.068 -9.115 1.00 0.00 H new ATOM 0 HD11 LEU A 767 17.951 -10.417 -9.676 1.00 0.00 H new ATOM 0 HD12 LEU A 767 18.705 -9.557 -11.040 1.00 0.00 H new ATOM 0 HD13 LEU A 767 19.670 -10.681 -10.054 1.00 0.00 H new ATOM 0 HD21 LEU A 767 18.486 -9.792 -7.356 1.00 0.00 H new ATOM 0 HD22 LEU A 767 20.226 -10.035 -7.645 1.00 0.00 H new ATOM 0 HD23 LEU A 767 19.636 -8.476 -7.020 1.00 0.00 H new ATOM 802 N ARG A 768 23.320 -7.067 -9.361 1.00 0.00 N ATOM 803 CA ARG A 768 24.567 -6.622 -9.961 1.00 0.00 C ATOM 804 C ARG A 768 24.657 -7.124 -11.398 1.00 0.00 C ATOM 805 O ARG A 768 24.208 -8.226 -11.703 1.00 0.00 O ATOM 806 CB ARG A 768 25.766 -7.124 -9.149 1.00 0.00 C ATOM 807 CG ARG A 768 27.100 -6.715 -9.751 1.00 0.00 C ATOM 808 CD ARG A 768 28.282 -7.316 -9.009 1.00 0.00 C ATOM 809 NE ARG A 768 29.527 -7.043 -9.718 1.00 0.00 N ATOM 810 CZ ARG A 768 30.743 -7.311 -9.256 1.00 0.00 C ATOM 811 NH1 ARG A 768 30.907 -7.905 -8.080 1.00 0.00 N ATOM 812 NH2 ARG A 768 31.801 -6.990 -9.989 1.00 0.00 N ATOM 0 H ARG A 768 23.363 -7.989 -8.927 1.00 0.00 H new ATOM 0 HA ARG A 768 24.586 -5.532 -9.961 1.00 0.00 H new ATOM 0 HB2 ARG A 768 25.698 -6.737 -8.132 1.00 0.00 H new ATOM 0 HB3 ARG A 768 25.722 -8.211 -9.080 1.00 0.00 H new ATOM 0 HG2 ARG A 768 27.134 -7.026 -10.795 1.00 0.00 H new ATOM 0 HG3 ARG A 768 27.182 -5.628 -9.739 1.00 0.00 H new ATOM 0 HD2 ARG A 768 28.333 -6.904 -8.001 1.00 0.00 H new ATOM 0 HD3 ARG A 768 28.144 -8.392 -8.906 1.00 0.00 H new ATOM 0 HE ARG A 768 29.458 -6.613 -10.640 1.00 0.00 H new ATOM 0 HH11 ARG A 768 30.094 -8.161 -7.520 1.00 0.00 H new ATOM 0 HH12 ARG A 768 31.846 -8.105 -7.736 1.00 0.00 H new ATOM 0 HH21 ARG A 768 31.676 -6.542 -10.897 1.00 0.00 H new ATOM 0 HH22 ARG A 768 32.740 -7.191 -9.645 1.00 0.00 H new ATOM 826 N HIS A 769 25.225 -6.316 -12.277 1.00 0.00 N ATOM 827 CA HIS A 769 25.376 -6.694 -13.677 1.00 0.00 C ATOM 828 C HIS A 769 26.662 -6.117 -14.253 1.00 0.00 C ATOM 829 O HIS A 769 26.879 -4.904 -14.242 1.00 0.00 O ATOM 830 CB HIS A 769 24.155 -6.260 -14.505 1.00 0.00 C ATOM 831 CG HIS A 769 23.654 -4.873 -14.211 1.00 0.00 C ATOM 832 ND1 HIS A 769 23.879 -3.835 -15.071 1.00 0.00 N ATOM 833 CD2 HIS A 769 22.938 -4.418 -13.151 1.00 0.00 C ATOM 834 CE1 HIS A 769 23.302 -2.780 -14.532 1.00 0.00 C ATOM 835 NE2 HIS A 769 22.719 -3.082 -13.363 1.00 0.00 N ATOM 0 H HIS A 769 25.591 -5.392 -12.048 1.00 0.00 H new ATOM 0 HA HIS A 769 25.439 -7.781 -13.728 1.00 0.00 H new ATOM 0 HB2 HIS A 769 24.410 -6.322 -15.563 1.00 0.00 H new ATOM 0 HB3 HIS A 769 23.345 -6.968 -14.330 1.00 0.00 H new ATOM 0 HD2 HIS A 769 22.605 -4.998 -12.303 1.00 0.00 H new ATOM 0 HE1 HIS A 769 23.299 -1.796 -14.976 1.00 0.00 H new ATOM 0 HE2 HIS A 769 22.212 -2.443 -12.751 1.00 0.00 H new ATOM 843 N ASP A 770 27.517 -7.004 -14.739 1.00 0.00 N ATOM 844 CA ASP A 770 28.827 -6.619 -15.255 1.00 0.00 C ATOM 845 C ASP A 770 29.053 -7.205 -16.630 1.00 0.00 C ATOM 846 O ASP A 770 28.729 -8.365 -16.883 1.00 0.00 O ATOM 847 CB ASP A 770 29.952 -7.107 -14.328 1.00 0.00 C ATOM 848 CG ASP A 770 30.030 -6.361 -13.010 1.00 0.00 C ATOM 849 OD1 ASP A 770 29.082 -6.453 -12.210 1.00 0.00 O ATOM 850 OD2 ASP A 770 31.069 -5.714 -12.752 1.00 0.00 O ATOM 0 H ASP A 770 27.327 -8.005 -14.788 1.00 0.00 H new ATOM 0 HA ASP A 770 28.845 -5.530 -15.308 1.00 0.00 H new ATOM 0 HB2 ASP A 770 29.808 -8.168 -14.125 1.00 0.00 H new ATOM 0 HB3 ASP A 770 30.905 -7.008 -14.847 1.00 0.00 H new ATOM 855 N SER A 771 29.616 -6.407 -17.515 1.00 0.00 N ATOM 856 CA SER A 771 29.988 -6.886 -18.827 1.00 0.00 C ATOM 857 C SER A 771 31.494 -7.087 -18.882 1.00 0.00 C ATOM 858 O SER A 771 32.261 -6.180 -18.563 1.00 0.00 O ATOM 859 CB SER A 771 29.563 -5.895 -19.900 1.00 0.00 C ATOM 860 OG SER A 771 28.241 -5.439 -19.688 1.00 0.00 O ATOM 0 H SER A 771 29.825 -5.423 -17.347 1.00 0.00 H new ATOM 0 HA SER A 771 29.482 -7.834 -19.012 1.00 0.00 H new ATOM 0 HB2 SER A 771 30.246 -5.046 -19.904 1.00 0.00 H new ATOM 0 HB3 SER A 771 29.634 -6.366 -20.881 1.00 0.00 H new ATOM 0 HG SER A 771 27.997 -4.803 -20.392 1.00 0.00 H new ATOM 976 N PHE A 779 30.680 -10.657 -22.890 1.00 0.00 N ATOM 977 CA PHE A 779 29.422 -11.176 -22.387 1.00 0.00 C ATOM 978 C PHE A 779 29.025 -10.450 -21.110 1.00 0.00 C ATOM 979 O PHE A 779 29.835 -9.737 -20.513 1.00 0.00 O ATOM 980 CB PHE A 779 29.517 -12.689 -22.151 1.00 0.00 C ATOM 981 CG PHE A 779 30.543 -13.104 -21.133 1.00 0.00 C ATOM 982 CD1 PHE A 779 31.874 -13.251 -21.489 1.00 0.00 C ATOM 983 CD2 PHE A 779 30.172 -13.357 -19.821 1.00 0.00 C ATOM 984 CE1 PHE A 779 32.817 -13.638 -20.555 1.00 0.00 C ATOM 985 CE2 PHE A 779 31.109 -13.748 -18.885 1.00 0.00 C ATOM 986 CZ PHE A 779 32.433 -13.887 -19.253 1.00 0.00 C ATOM 0 HA PHE A 779 28.649 -11.001 -23.135 1.00 0.00 H new ATOM 0 HB2 PHE A 779 28.541 -13.055 -21.833 1.00 0.00 H new ATOM 0 HB3 PHE A 779 29.747 -13.177 -23.098 1.00 0.00 H new ATOM 0 HD1 PHE A 779 32.178 -13.061 -22.508 1.00 0.00 H new ATOM 0 HD2 PHE A 779 29.138 -13.247 -19.528 1.00 0.00 H new ATOM 0 HE1 PHE A 779 33.852 -13.745 -20.844 1.00 0.00 H new ATOM 0 HE2 PHE A 779 30.807 -13.945 -17.867 1.00 0.00 H new ATOM 0 HZ PHE A 779 33.168 -14.191 -18.522 1.00 0.00 H new ATOM 996 N ILE A 780 27.782 -10.624 -20.697 1.00 0.00 N ATOM 997 CA ILE A 780 27.273 -9.950 -19.515 1.00 0.00 C ATOM 998 C ILE A 780 26.898 -10.959 -18.437 1.00 0.00 C ATOM 999 O ILE A 780 26.284 -11.989 -18.712 1.00 0.00 O ATOM 1000 CB ILE A 780 26.061 -9.045 -19.849 1.00 0.00 C ATOM 1001 CG1 ILE A 780 25.507 -8.387 -18.578 1.00 0.00 C ATOM 1002 CG2 ILE A 780 24.978 -9.836 -20.566 1.00 0.00 C ATOM 1003 CD1 ILE A 780 24.282 -7.533 -18.822 1.00 0.00 C ATOM 0 H ILE A 780 27.105 -11.228 -21.164 1.00 0.00 H new ATOM 0 HA ILE A 780 28.071 -9.312 -19.136 1.00 0.00 H new ATOM 0 HB ILE A 780 26.401 -8.255 -20.518 1.00 0.00 H new ATOM 0 HG12 ILE A 780 25.259 -9.164 -17.855 1.00 0.00 H new ATOM 0 HG13 ILE A 780 26.286 -7.770 -18.129 1.00 0.00 H new ATOM 0 HG21 ILE A 780 24.137 -9.180 -20.791 1.00 0.00 H new ATOM 0 HG22 ILE A 780 25.379 -10.243 -21.494 1.00 0.00 H new ATOM 0 HG23 ILE A 780 24.641 -10.653 -19.928 1.00 0.00 H new ATOM 0 HD11 ILE A 780 23.946 -7.100 -17.879 1.00 0.00 H new ATOM 0 HD12 ILE A 780 24.529 -6.734 -19.521 1.00 0.00 H new ATOM 0 HD13 ILE A 780 23.487 -8.149 -19.242 1.00 0.00 H new ATOM 1015 N THR A 781 27.289 -10.666 -17.213 1.00 0.00 N ATOM 1016 CA THR A 781 27.013 -11.537 -16.091 1.00 0.00 C ATOM 1017 C THR A 781 26.180 -10.817 -15.043 1.00 0.00 C ATOM 1018 O THR A 781 26.588 -9.781 -14.514 1.00 0.00 O ATOM 1019 CB THR A 781 28.322 -12.031 -15.450 1.00 0.00 C ATOM 1020 OG1 THR A 781 29.136 -12.666 -16.443 1.00 0.00 O ATOM 1021 CG2 THR A 781 28.043 -13.007 -14.312 1.00 0.00 C ATOM 0 H THR A 781 27.805 -9.820 -16.970 1.00 0.00 H new ATOM 0 HA THR A 781 26.453 -12.394 -16.466 1.00 0.00 H new ATOM 0 HB THR A 781 28.848 -11.169 -15.039 1.00 0.00 H new ATOM 0 HG1 THR A 781 29.969 -12.978 -16.032 1.00 0.00 H new ATOM 0 HG21 THR A 781 28.986 -13.339 -13.878 1.00 0.00 H new ATOM 0 HG22 THR A 781 27.446 -12.512 -13.546 1.00 0.00 H new ATOM 0 HG23 THR A 781 27.497 -13.868 -14.697 1.00 0.00 H new ATOM 1029 N VAL A 782 25.007 -11.359 -14.767 1.00 0.00 N ATOM 1030 CA VAL A 782 24.144 -10.823 -13.726 1.00 0.00 C ATOM 1031 C VAL A 782 24.395 -11.568 -12.425 1.00 0.00 C ATOM 1032 O VAL A 782 24.278 -12.787 -12.369 1.00 0.00 O ATOM 1033 CB VAL A 782 22.652 -10.932 -14.115 1.00 0.00 C ATOM 1034 CG1 VAL A 782 21.754 -10.295 -13.059 1.00 0.00 C ATOM 1035 CG2 VAL A 782 22.422 -10.293 -15.470 1.00 0.00 C ATOM 0 H VAL A 782 24.628 -12.173 -15.251 1.00 0.00 H new ATOM 0 HA VAL A 782 24.379 -9.766 -13.599 1.00 0.00 H new ATOM 0 HB VAL A 782 22.391 -11.989 -14.173 1.00 0.00 H new ATOM 0 HG11 VAL A 782 20.712 -10.389 -13.363 1.00 0.00 H new ATOM 0 HG12 VAL A 782 21.900 -10.800 -12.104 1.00 0.00 H new ATOM 0 HG13 VAL A 782 22.008 -9.240 -12.954 1.00 0.00 H new ATOM 0 HG21 VAL A 782 21.368 -10.374 -15.736 1.00 0.00 H new ATOM 0 HG22 VAL A 782 22.706 -9.241 -15.429 1.00 0.00 H new ATOM 0 HG23 VAL A 782 23.026 -10.803 -16.220 1.00 0.00 H new ATOM 1045 N SER A 783 24.758 -10.839 -11.391 1.00 0.00 N ATOM 1046 CA SER A 783 25.106 -11.448 -10.125 1.00 0.00 C ATOM 1047 C SER A 783 24.098 -11.067 -9.044 1.00 0.00 C ATOM 1048 O SER A 783 23.714 -9.900 -8.913 1.00 0.00 O ATOM 1049 CB SER A 783 26.524 -11.033 -9.716 1.00 0.00 C ATOM 1050 OG SER A 783 26.887 -11.590 -8.464 1.00 0.00 O ATOM 0 H SER A 783 24.820 -9.821 -11.403 1.00 0.00 H new ATOM 0 HA SER A 783 25.078 -12.532 -10.240 1.00 0.00 H new ATOM 0 HB2 SER A 783 27.233 -11.356 -10.478 1.00 0.00 H new ATOM 0 HB3 SER A 783 26.585 -9.946 -9.663 1.00 0.00 H new ATOM 0 HG SER A 783 27.797 -11.308 -8.232 1.00 0.00 H new ATOM 1056 N LYS A 784 23.665 -12.063 -8.282 1.00 0.00 N ATOM 1057 CA LYS A 784 22.713 -11.853 -7.198 1.00 0.00 C ATOM 1058 C LYS A 784 23.434 -11.506 -5.908 1.00 0.00 C ATOM 1059 O LYS A 784 23.022 -10.609 -5.167 1.00 0.00 O ATOM 1060 CB LYS A 784 21.884 -13.116 -6.985 1.00 0.00 C ATOM 1061 CG LYS A 784 20.925 -13.409 -8.118 1.00 0.00 C ATOM 1062 CD LYS A 784 20.474 -14.860 -8.111 1.00 0.00 C ATOM 1063 CE LYS A 784 19.823 -15.258 -6.797 1.00 0.00 C ATOM 1064 NZ LYS A 784 19.472 -16.701 -6.784 1.00 0.00 N ATOM 0 H LYS A 784 23.961 -13.032 -8.396 1.00 0.00 H new ATOM 0 HA LYS A 784 22.061 -11.024 -7.472 1.00 0.00 H new ATOM 0 HB2 LYS A 784 22.556 -13.965 -6.860 1.00 0.00 H new ATOM 0 HB3 LYS A 784 21.319 -13.018 -6.058 1.00 0.00 H new ATOM 0 HG2 LYS A 784 20.055 -12.757 -8.036 1.00 0.00 H new ATOM 0 HG3 LYS A 784 21.406 -13.182 -9.070 1.00 0.00 H new ATOM 0 HD2 LYS A 784 19.769 -15.022 -8.926 1.00 0.00 H new ATOM 0 HD3 LYS A 784 21.332 -15.505 -8.298 1.00 0.00 H new ATOM 0 HE2 LYS A 784 20.501 -15.039 -5.972 1.00 0.00 H new ATOM 0 HE3 LYS A 784 18.925 -14.662 -6.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 784 18.439 -16.807 -6.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 784 19.912 -17.173 -7.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 784 19.819 -17.135 -5.905 1.00 0.00 H new