USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=14 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= -0.442 K(o=0.16,f=-9.3!) USER MOD Set 1.2: A 769 HIS : no HD1:sc= 0.6 K(o=0.16,f=-11!) USER MOD Set 2.1: A 751 ASN : amide:sc= 1.36 K(o=1.4,f=-6.5!) USER MOD Set 2.2: A 753 HIS : no HD1:sc= 0 X(o=1.4,f=1.4) USER MOD Single : A 728 HIS : no HD1:sc= -0.115 X(o=-0.11,f=0) USER MOD Single : A 732 MET CE :methyl -144:sc= -0.337 (180deg=-0.675) USER MOD Single : A 737 MET CE :methyl 173:sc= 0 (180deg=-0.085) USER MOD Single : A 739 SER OG : rot 48:sc= 1.22 USER MOD Single : A 740 LYS NZ :NH3+ 157:sc= -1.83! (180deg=-3.4!) USER MOD Single : A 741 LYS NZ :NH3+ -169:sc= -0.0105 (180deg=-0.131) 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=-1.2,f=0) USER MOD Single : A 749 SER OG : rot 180:sc= -0.475 USER MOD Single : A 752 SER OG : rot 180:sc= 0 USER MOD Single : A 760 GLN : amide:sc= -0.106 K(o=-0.11,f=-1.1) USER MOD Single : A 765 HIS : no HE2:sc= 1.25 K(o=1.3,f=-5.8!) USER MOD Single : A 771 SER OG : rot 3:sc= 1.12 USER MOD Single : A 781 THR OG1 : rot -57:sc= -0.145 USER MOD Single : A 783 SER OG : rot 180:sc= -0.756 USER MOD Single : A 784 LYS NZ :NH3+ -113:sc= 0.21 (180deg=0.000169) USER MOD ----------------------------------------------------------------- ATOM 143 N HIS A 728 11.718 -11.884 -22.399 1.00 0.00 N ATOM 144 CA HIS A 728 12.631 -13.027 -22.406 1.00 0.00 C ATOM 145 C HIS A 728 13.724 -12.871 -21.348 1.00 0.00 C ATOM 146 O HIS A 728 13.984 -13.792 -20.570 1.00 0.00 O ATOM 147 CB HIS A 728 13.262 -13.188 -23.796 1.00 0.00 C ATOM 148 CG HIS A 728 14.112 -14.417 -23.950 1.00 0.00 C ATOM 149 ND1 HIS A 728 13.704 -15.553 -24.614 1.00 0.00 N ATOM 150 CD2 HIS A 728 15.379 -14.669 -23.525 1.00 0.00 C ATOM 151 CE1 HIS A 728 14.707 -16.438 -24.574 1.00 0.00 C ATOM 152 NE2 HIS A 728 15.748 -15.951 -23.925 1.00 0.00 N ATOM 0 HA HIS A 728 12.055 -13.921 -22.166 1.00 0.00 H new ATOM 0 HB2 HIS A 728 12.468 -13.214 -24.542 1.00 0.00 H new ATOM 0 HB3 HIS A 728 13.871 -12.310 -24.010 1.00 0.00 H new ATOM 0 HD2 HIS A 728 16.000 -13.984 -22.966 1.00 0.00 H new ATOM 0 HE1 HIS A 728 14.670 -17.423 -25.015 1.00 0.00 H new ATOM 0 HE2 HIS A 728 16.639 -16.417 -23.752 1.00 0.00 H new ATOM 160 N PHE A 729 14.338 -11.698 -21.304 1.00 0.00 N ATOM 161 CA PHE A 729 15.440 -11.460 -20.386 1.00 0.00 C ATOM 162 C PHE A 729 14.921 -11.286 -18.965 1.00 0.00 C ATOM 163 O PHE A 729 15.546 -11.751 -18.014 1.00 0.00 O ATOM 164 CB PHE A 729 16.267 -10.244 -20.824 1.00 0.00 C ATOM 165 CG PHE A 729 17.075 -10.483 -22.075 1.00 0.00 C ATOM 166 CD1 PHE A 729 17.754 -11.680 -22.252 1.00 0.00 C ATOM 167 CD2 PHE A 729 17.167 -9.515 -23.067 1.00 0.00 C ATOM 168 CE1 PHE A 729 18.503 -11.909 -23.388 1.00 0.00 C ATOM 169 CE2 PHE A 729 17.920 -9.743 -24.209 1.00 0.00 C ATOM 170 CZ PHE A 729 18.585 -10.940 -24.367 1.00 0.00 C ATOM 0 H PHE A 729 14.093 -10.900 -21.890 1.00 0.00 H new ATOM 0 HA PHE A 729 16.096 -12.330 -20.405 1.00 0.00 H new ATOM 0 HB2 PHE A 729 15.597 -9.400 -20.990 1.00 0.00 H new ATOM 0 HB3 PHE A 729 16.941 -9.962 -20.015 1.00 0.00 H new ATOM 0 HD1 PHE A 729 17.695 -12.443 -21.490 1.00 0.00 H new ATOM 0 HD2 PHE A 729 16.647 -8.576 -22.948 1.00 0.00 H new ATOM 0 HE1 PHE A 729 19.025 -12.846 -23.511 1.00 0.00 H new ATOM 0 HE2 PHE A 729 17.985 -8.983 -24.974 1.00 0.00 H new ATOM 0 HZ PHE A 729 19.170 -11.119 -25.257 1.00 0.00 H new ATOM 180 N ARG A 730 13.768 -10.643 -18.824 1.00 0.00 N ATOM 181 CA ARG A 730 13.140 -10.503 -17.514 1.00 0.00 C ATOM 182 C ARG A 730 12.797 -11.874 -16.940 1.00 0.00 C ATOM 183 O ARG A 730 13.016 -12.134 -15.757 1.00 0.00 O ATOM 184 CB ARG A 730 11.875 -9.644 -17.591 1.00 0.00 C ATOM 185 CG ARG A 730 11.101 -9.595 -16.281 1.00 0.00 C ATOM 186 CD ARG A 730 9.881 -8.688 -16.364 1.00 0.00 C ATOM 187 NE ARG A 730 10.234 -7.272 -16.254 1.00 0.00 N ATOM 188 CZ ARG A 730 9.971 -6.523 -15.179 1.00 0.00 C ATOM 189 NH1 ARG A 730 9.393 -7.062 -14.110 1.00 0.00 N ATOM 190 NH2 ARG A 730 10.296 -5.236 -15.169 1.00 0.00 N ATOM 0 H ARG A 730 13.252 -10.214 -19.592 1.00 0.00 H new ATOM 0 HA ARG A 730 13.853 -10.005 -16.857 1.00 0.00 H new ATOM 0 HB2 ARG A 730 12.150 -8.630 -17.881 1.00 0.00 H new ATOM 0 HB3 ARG A 730 11.226 -10.035 -18.374 1.00 0.00 H new ATOM 0 HG2 ARG A 730 10.784 -10.602 -16.011 1.00 0.00 H new ATOM 0 HG3 ARG A 730 11.759 -9.244 -15.486 1.00 0.00 H new ATOM 0 HD2 ARG A 730 9.367 -8.860 -17.310 1.00 0.00 H new ATOM 0 HD3 ARG A 730 9.182 -8.949 -15.569 1.00 0.00 H new ATOM 0 HE ARG A 730 10.708 -6.832 -17.043 1.00 0.00 H new ATOM 0 HH11 ARG A 730 9.148 -8.052 -14.108 1.00 0.00 H new ATOM 0 HH12 ARG A 730 9.195 -6.485 -13.292 1.00 0.00 H new ATOM 0 HH21 ARG A 730 10.747 -4.818 -15.983 1.00 0.00 H new ATOM 0 HH22 ARG A 730 10.095 -4.666 -14.348 1.00 0.00 H new ATOM 204 N ALA A 731 12.274 -12.748 -17.793 1.00 0.00 N ATOM 205 CA ALA A 731 11.905 -14.095 -17.387 1.00 0.00 C ATOM 206 C ALA A 731 13.117 -14.855 -16.871 1.00 0.00 C ATOM 207 O ALA A 731 13.059 -15.492 -15.821 1.00 0.00 O ATOM 208 CB ALA A 731 11.260 -14.843 -18.545 1.00 0.00 C ATOM 0 H ALA A 731 12.096 -12.543 -18.776 1.00 0.00 H new ATOM 0 HA ALA A 731 11.180 -14.020 -16.577 1.00 0.00 H new ATOM 0 HB1 ALA A 731 10.990 -15.849 -18.223 1.00 0.00 H new ATOM 0 HB2 ALA A 731 10.364 -14.312 -18.867 1.00 0.00 H new ATOM 0 HB3 ALA A 731 11.963 -14.904 -19.376 1.00 0.00 H new ATOM 214 N MET A 732 14.222 -14.768 -17.596 1.00 0.00 N ATOM 215 CA MET A 732 15.432 -15.469 -17.199 1.00 0.00 C ATOM 216 C MET A 732 16.025 -14.871 -15.925 1.00 0.00 C ATOM 217 O MET A 732 16.587 -15.595 -15.108 1.00 0.00 O ATOM 218 CB MET A 732 16.463 -15.477 -18.330 1.00 0.00 C ATOM 219 CG MET A 732 16.021 -16.303 -19.528 1.00 0.00 C ATOM 220 SD MET A 732 17.405 -16.936 -20.497 1.00 0.00 S ATOM 221 CE MET A 732 18.309 -15.427 -20.814 1.00 0.00 C ATOM 0 H MET A 732 14.305 -14.224 -18.455 1.00 0.00 H new ATOM 0 HA MET A 732 15.159 -16.503 -16.987 1.00 0.00 H new ATOM 0 HB2 MET A 732 16.651 -14.452 -18.651 1.00 0.00 H new ATOM 0 HB3 MET A 732 17.407 -15.871 -17.952 1.00 0.00 H new ATOM 0 HG2 MET A 732 15.414 -17.140 -19.182 1.00 0.00 H new ATOM 0 HG3 MET A 732 15.385 -15.692 -20.169 1.00 0.00 H new ATOM 0 HE1 MET A 732 18.745 -15.467 -21.812 1.00 0.00 H new ATOM 0 HE2 MET A 732 17.631 -14.576 -20.748 1.00 0.00 H new ATOM 0 HE3 MET A 732 19.103 -15.317 -20.075 1.00 0.00 H new ATOM 231 N ILE A 733 15.880 -13.560 -15.749 1.00 0.00 N ATOM 232 CA ILE A 733 16.380 -12.890 -14.551 1.00 0.00 C ATOM 233 C ILE A 733 15.558 -13.265 -13.321 1.00 0.00 C ATOM 234 O ILE A 733 16.119 -13.647 -12.295 1.00 0.00 O ATOM 235 CB ILE A 733 16.404 -11.351 -14.716 1.00 0.00 C ATOM 236 CG1 ILE A 733 17.495 -10.953 -15.716 1.00 0.00 C ATOM 237 CG2 ILE A 733 16.623 -10.658 -13.372 1.00 0.00 C ATOM 238 CD1 ILE A 733 17.576 -9.463 -15.975 1.00 0.00 C ATOM 0 H ILE A 733 15.422 -12.942 -16.419 1.00 0.00 H new ATOM 0 HA ILE A 733 17.405 -13.233 -14.408 1.00 0.00 H new ATOM 0 HB ILE A 733 15.437 -11.027 -15.100 1.00 0.00 H new ATOM 0 HG12 ILE A 733 18.459 -11.300 -15.344 1.00 0.00 H new ATOM 0 HG13 ILE A 733 17.314 -11.467 -16.660 1.00 0.00 H new ATOM 0 HG21 ILE A 733 16.636 -9.578 -13.517 1.00 0.00 H new ATOM 0 HG22 ILE A 733 15.815 -10.923 -12.690 1.00 0.00 H new ATOM 0 HG23 ILE A 733 17.575 -10.978 -12.948 1.00 0.00 H new ATOM 0 HD11 ILE A 733 18.371 -9.261 -16.693 1.00 0.00 H new ATOM 0 HD12 ILE A 733 16.626 -9.112 -16.378 1.00 0.00 H new ATOM 0 HD13 ILE A 733 17.789 -8.942 -15.041 1.00 0.00 H new ATOM 250 N VAL A 734 14.236 -13.177 -13.425 1.00 0.00 N ATOM 251 CA VAL A 734 13.375 -13.468 -12.282 1.00 0.00 C ATOM 252 C VAL A 734 13.527 -14.929 -11.843 1.00 0.00 C ATOM 253 O VAL A 734 13.479 -15.236 -10.652 1.00 0.00 O ATOM 254 CB VAL A 734 11.888 -13.137 -12.572 1.00 0.00 C ATOM 255 CG1 VAL A 734 11.312 -14.030 -13.657 1.00 0.00 C ATOM 256 CG2 VAL A 734 11.055 -13.230 -11.302 1.00 0.00 C ATOM 0 H VAL A 734 13.742 -12.910 -14.276 1.00 0.00 H new ATOM 0 HA VAL A 734 13.698 -12.822 -11.465 1.00 0.00 H new ATOM 0 HB VAL A 734 11.850 -12.111 -12.937 1.00 0.00 H new ATOM 0 HG11 VAL A 734 10.269 -13.766 -13.830 1.00 0.00 H new ATOM 0 HG12 VAL A 734 11.878 -13.894 -14.578 1.00 0.00 H new ATOM 0 HG13 VAL A 734 11.375 -15.072 -13.342 1.00 0.00 H new ATOM 0 HG21 VAL A 734 10.016 -12.994 -11.530 1.00 0.00 H new ATOM 0 HG22 VAL A 734 11.117 -14.241 -10.899 1.00 0.00 H new ATOM 0 HG23 VAL A 734 11.435 -12.522 -10.565 1.00 0.00 H new ATOM 266 N GLU A 735 13.742 -15.824 -12.805 1.00 0.00 N ATOM 267 CA GLU A 735 13.998 -17.224 -12.493 1.00 0.00 C ATOM 268 C GLU A 735 15.376 -17.377 -11.858 1.00 0.00 C ATOM 269 O GLU A 735 15.550 -18.118 -10.893 1.00 0.00 O ATOM 270 CB GLU A 735 13.901 -18.091 -13.748 1.00 0.00 C ATOM 271 CG GLU A 735 12.500 -18.180 -14.329 1.00 0.00 C ATOM 272 CD GLU A 735 12.411 -19.159 -15.480 1.00 0.00 C ATOM 273 OE1 GLU A 735 12.416 -20.384 -15.227 1.00 0.00 O ATOM 274 OE2 GLU A 735 12.327 -18.714 -16.644 1.00 0.00 O ATOM 0 H GLU A 735 13.744 -15.604 -13.801 1.00 0.00 H new ATOM 0 HA GLU A 735 13.239 -17.559 -11.786 1.00 0.00 H new ATOM 0 HB2 GLU A 735 14.573 -17.691 -14.507 1.00 0.00 H new ATOM 0 HB3 GLU A 735 14.250 -19.096 -13.511 1.00 0.00 H new ATOM 0 HG2 GLU A 735 11.804 -18.481 -13.546 1.00 0.00 H new ATOM 0 HG3 GLU A 735 12.189 -17.193 -14.671 1.00 0.00 H new ATOM 281 N PHE A 736 16.342 -16.653 -12.408 1.00 0.00 N ATOM 282 CA PHE A 736 17.712 -16.638 -11.901 1.00 0.00 C ATOM 283 C PHE A 736 17.758 -16.204 -10.435 1.00 0.00 C ATOM 284 O PHE A 736 18.562 -16.711 -9.651 1.00 0.00 O ATOM 285 CB PHE A 736 18.548 -15.698 -12.778 1.00 0.00 C ATOM 286 CG PHE A 736 19.877 -15.305 -12.211 1.00 0.00 C ATOM 287 CD1 PHE A 736 20.924 -16.206 -12.167 1.00 0.00 C ATOM 288 CD2 PHE A 736 20.080 -14.017 -11.741 1.00 0.00 C ATOM 289 CE1 PHE A 736 22.152 -15.829 -11.662 1.00 0.00 C ATOM 290 CE2 PHE A 736 21.305 -13.635 -11.239 1.00 0.00 C ATOM 291 CZ PHE A 736 22.342 -14.542 -11.200 1.00 0.00 C ATOM 0 H PHE A 736 16.199 -16.056 -13.222 1.00 0.00 H new ATOM 0 HA PHE A 736 18.124 -17.646 -11.946 1.00 0.00 H new ATOM 0 HB2 PHE A 736 18.711 -16.178 -13.743 1.00 0.00 H new ATOM 0 HB3 PHE A 736 17.970 -14.793 -12.966 1.00 0.00 H new ATOM 0 HD1 PHE A 736 20.780 -17.213 -12.531 1.00 0.00 H new ATOM 0 HD2 PHE A 736 19.269 -13.305 -11.769 1.00 0.00 H new ATOM 0 HE1 PHE A 736 22.964 -16.540 -11.628 1.00 0.00 H new ATOM 0 HE2 PHE A 736 21.452 -12.628 -10.877 1.00 0.00 H new ATOM 0 HZ PHE A 736 23.304 -14.246 -10.808 1.00 0.00 H new ATOM 301 N MET A 737 16.877 -15.283 -10.070 1.00 0.00 N ATOM 302 CA MET A 737 16.792 -14.792 -8.696 1.00 0.00 C ATOM 303 C MET A 737 16.444 -15.926 -7.735 1.00 0.00 C ATOM 304 O MET A 737 16.898 -15.949 -6.590 1.00 0.00 O ATOM 305 CB MET A 737 15.742 -13.681 -8.605 1.00 0.00 C ATOM 306 CG MET A 737 16.060 -12.480 -9.479 1.00 0.00 C ATOM 307 SD MET A 737 14.684 -11.325 -9.630 1.00 0.00 S ATOM 308 CE MET A 737 14.568 -10.715 -7.952 1.00 0.00 C ATOM 0 H MET A 737 16.206 -14.857 -10.709 1.00 0.00 H new ATOM 0 HA MET A 737 17.764 -14.390 -8.411 1.00 0.00 H new ATOM 0 HB2 MET A 737 14.771 -14.084 -8.893 1.00 0.00 H new ATOM 0 HB3 MET A 737 15.657 -13.355 -7.568 1.00 0.00 H new ATOM 0 HG2 MET A 737 16.922 -11.956 -9.065 1.00 0.00 H new ATOM 0 HG3 MET A 737 16.345 -12.827 -10.472 1.00 0.00 H new ATOM 0 HE1 MET A 737 13.845 -9.901 -7.910 1.00 0.00 H new ATOM 0 HE2 MET A 737 14.245 -11.521 -7.293 1.00 0.00 H new ATOM 0 HE3 MET A 737 15.543 -10.351 -7.629 1.00 0.00 H new ATOM 318 N ALA A 738 15.658 -16.877 -8.217 1.00 0.00 N ATOM 319 CA ALA A 738 15.240 -18.010 -7.402 1.00 0.00 C ATOM 320 C ALA A 738 16.142 -19.221 -7.632 1.00 0.00 C ATOM 321 O ALA A 738 16.043 -20.228 -6.928 1.00 0.00 O ATOM 322 CB ALA A 738 13.793 -18.364 -7.706 1.00 0.00 C ATOM 0 H ALA A 738 15.296 -16.887 -9.170 1.00 0.00 H new ATOM 0 HA ALA A 738 15.326 -17.724 -6.354 1.00 0.00 H new ATOM 0 HB1 ALA A 738 13.489 -19.212 -7.092 1.00 0.00 H new ATOM 0 HB2 ALA A 738 13.155 -17.509 -7.484 1.00 0.00 H new ATOM 0 HB3 ALA A 738 13.696 -18.626 -8.760 1.00 0.00 H new ATOM 328 N SER A 739 17.031 -19.109 -8.606 1.00 0.00 N ATOM 329 CA SER A 739 17.915 -20.205 -8.962 1.00 0.00 C ATOM 330 C SER A 739 19.130 -20.250 -8.043 1.00 0.00 C ATOM 331 O SER A 739 19.387 -19.314 -7.282 1.00 0.00 O ATOM 332 CB SER A 739 18.358 -20.071 -10.419 1.00 0.00 C ATOM 333 OG SER A 739 17.244 -20.125 -11.296 1.00 0.00 O ATOM 0 H SER A 739 17.159 -18.266 -9.166 1.00 0.00 H new ATOM 0 HA SER A 739 17.366 -21.139 -8.841 1.00 0.00 H new ATOM 0 HB2 SER A 739 18.888 -19.129 -10.556 1.00 0.00 H new ATOM 0 HB3 SER A 739 19.058 -20.869 -10.665 1.00 0.00 H new ATOM 0 HG SER A 739 16.539 -19.529 -10.966 1.00 0.00 H new ATOM 339 N LYS A 740 19.871 -21.348 -8.131 1.00 0.00 N ATOM 340 CA LYS A 740 21.048 -21.558 -7.302 1.00 0.00 C ATOM 341 C LYS A 740 22.248 -20.823 -7.886 1.00 0.00 C ATOM 342 O LYS A 740 23.215 -20.524 -7.181 1.00 0.00 O ATOM 343 CB LYS A 740 21.334 -23.057 -7.199 1.00 0.00 C ATOM 344 CG LYS A 740 22.438 -23.421 -6.217 1.00 0.00 C ATOM 345 CD LYS A 740 22.625 -24.929 -6.107 1.00 0.00 C ATOM 346 CE LYS A 740 21.592 -25.585 -5.191 1.00 0.00 C ATOM 347 NZ LYS A 740 20.201 -25.484 -5.708 1.00 0.00 N ATOM 0 H LYS A 740 19.673 -22.113 -8.776 1.00 0.00 H new ATOM 0 HA LYS A 740 20.862 -21.160 -6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 740 20.418 -23.570 -6.904 1.00 0.00 H new ATOM 0 HB3 LYS A 740 21.605 -23.431 -8.186 1.00 0.00 H new ATOM 0 HG2 LYS A 740 23.374 -22.961 -6.536 1.00 0.00 H new ATOM 0 HG3 LYS A 740 22.200 -23.012 -5.235 1.00 0.00 H new ATOM 0 HD2 LYS A 740 22.558 -25.373 -7.100 1.00 0.00 H new ATOM 0 HD3 LYS A 740 23.626 -25.141 -5.730 1.00 0.00 H new ATOM 0 HE2 LYS A 740 21.848 -26.636 -5.060 1.00 0.00 H new ATOM 0 HE3 LYS A 740 21.641 -25.119 -4.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 19.620 -26.240 -5.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 19.801 -24.559 -5.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 20.207 -25.583 -6.743 1.00 0.00 H new ATOM 361 N LYS A 741 22.178 -20.533 -9.179 1.00 0.00 N ATOM 362 CA LYS A 741 23.248 -19.819 -9.864 1.00 0.00 C ATOM 363 C LYS A 741 23.420 -18.423 -9.283 1.00 0.00 C ATOM 364 O LYS A 741 22.459 -17.667 -9.168 1.00 0.00 O ATOM 365 CB LYS A 741 22.954 -19.709 -11.362 1.00 0.00 C ATOM 366 CG LYS A 741 22.821 -21.047 -12.069 1.00 0.00 C ATOM 367 CD LYS A 741 22.566 -20.865 -13.557 1.00 0.00 C ATOM 368 CE LYS A 741 22.388 -22.200 -14.267 1.00 0.00 C ATOM 369 NZ LYS A 741 23.592 -23.065 -14.153 1.00 0.00 N ATOM 0 H LYS A 741 21.389 -20.782 -9.776 1.00 0.00 H new ATOM 0 HA LYS A 741 24.169 -20.384 -9.720 1.00 0.00 H new ATOM 0 HB2 LYS A 741 22.032 -19.144 -11.500 1.00 0.00 H new ATOM 0 HB3 LYS A 741 23.752 -19.137 -11.837 1.00 0.00 H new ATOM 0 HG2 LYS A 741 23.731 -21.630 -11.923 1.00 0.00 H new ATOM 0 HG3 LYS A 741 22.004 -21.615 -11.625 1.00 0.00 H new ATOM 0 HD2 LYS A 741 21.674 -20.255 -13.701 1.00 0.00 H new ATOM 0 HD3 LYS A 741 23.399 -20.323 -14.005 1.00 0.00 H new ATOM 0 HE2 LYS A 741 21.528 -22.721 -13.846 1.00 0.00 H new ATOM 0 HE3 LYS A 741 22.169 -22.023 -15.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 741 23.500 -23.875 -14.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 741 24.439 -22.516 -14.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 741 23.680 -23.410 -13.176 1.00 0.00 H new ATOM 383 N MET A 742 24.646 -18.085 -8.910 1.00 0.00 N ATOM 384 CA MET A 742 24.932 -16.759 -8.378 1.00 0.00 C ATOM 385 C MET A 742 25.282 -15.792 -9.505 1.00 0.00 C ATOM 386 O MET A 742 25.241 -14.575 -9.323 1.00 0.00 O ATOM 387 CB MET A 742 26.074 -16.814 -7.359 1.00 0.00 C ATOM 388 CG MET A 742 27.409 -17.252 -7.947 1.00 0.00 C ATOM 389 SD MET A 742 28.750 -17.191 -6.744 1.00 0.00 S ATOM 390 CE MET A 742 30.147 -17.657 -7.768 1.00 0.00 C ATOM 0 H MET A 742 25.454 -18.705 -8.965 1.00 0.00 H new ATOM 0 HA MET A 742 24.035 -16.400 -7.873 1.00 0.00 H new ATOM 0 HB2 MET A 742 26.193 -15.829 -6.909 1.00 0.00 H new ATOM 0 HB3 MET A 742 25.799 -17.500 -6.558 1.00 0.00 H new ATOM 0 HG2 MET A 742 27.317 -18.268 -8.331 1.00 0.00 H new ATOM 0 HG3 MET A 742 27.656 -16.612 -8.794 1.00 0.00 H new ATOM 0 HE1 MET A 742 31.054 -17.665 -7.164 1.00 0.00 H new ATOM 0 HE2 MET A 742 29.979 -18.651 -8.183 1.00 0.00 H new ATOM 0 HE3 MET A 742 30.258 -16.939 -8.581 1.00 0.00 H new ATOM 400 N GLN A 743 25.617 -16.344 -10.668 1.00 0.00 N ATOM 401 CA GLN A 743 25.999 -15.538 -11.821 1.00 0.00 C ATOM 402 C GLN A 743 25.396 -16.095 -13.105 1.00 0.00 C ATOM 403 O GLN A 743 25.657 -17.240 -13.484 1.00 0.00 O ATOM 404 CB GLN A 743 27.519 -15.472 -11.965 1.00 0.00 C ATOM 405 CG GLN A 743 28.206 -14.632 -10.902 1.00 0.00 C ATOM 406 CD GLN A 743 29.710 -14.594 -11.070 1.00 0.00 C ATOM 407 OE1 GLN A 743 30.176 -14.706 -12.305 1.00 0.00 O flip ATOM 408 NE2 GLN A 743 30.449 -14.460 -10.098 1.00 0.00 N flip ATOM 0 H GLN A 743 25.631 -17.350 -10.836 1.00 0.00 H new ATOM 0 HA GLN A 743 25.612 -14.533 -11.654 1.00 0.00 H new ATOM 0 HB2 GLN A 743 27.921 -16.484 -11.929 1.00 0.00 H new ATOM 0 HB3 GLN A 743 27.763 -15.067 -12.947 1.00 0.00 H new ATOM 0 HG2 GLN A 743 27.815 -13.615 -10.939 1.00 0.00 H new ATOM 0 HG3 GLN A 743 27.964 -15.031 -9.917 1.00 0.00 H new ATOM 0 HE21 GLN A 743 30.051 -14.377 -9.162 1.00 0.00 H new ATOM 0 HE22 GLN A 743 31.460 -14.432 -10.226 1.00 0.00 H new ATOM 417 N LEU A 744 24.587 -15.279 -13.759 1.00 0.00 N ATOM 418 CA LEU A 744 23.997 -15.632 -15.035 1.00 0.00 C ATOM 419 C LEU A 744 24.770 -14.950 -16.153 1.00 0.00 C ATOM 420 O LEU A 744 24.678 -13.736 -16.341 1.00 0.00 O ATOM 421 CB LEU A 744 22.520 -15.227 -15.075 1.00 0.00 C ATOM 422 CG LEU A 744 21.769 -15.567 -16.365 1.00 0.00 C ATOM 423 CD1 LEU A 744 21.840 -17.057 -16.665 1.00 0.00 C ATOM 424 CD2 LEU A 744 20.319 -15.120 -16.262 1.00 0.00 C ATOM 0 H LEU A 744 24.322 -14.354 -13.419 1.00 0.00 H new ATOM 0 HA LEU A 744 24.052 -16.712 -15.169 1.00 0.00 H new ATOM 0 HB2 LEU A 744 22.008 -15.709 -14.242 1.00 0.00 H new ATOM 0 HB3 LEU A 744 22.453 -14.151 -14.911 1.00 0.00 H new ATOM 0 HG LEU A 744 22.248 -15.034 -17.186 1.00 0.00 H new ATOM 0 HD11 LEU A 744 21.298 -17.269 -17.587 1.00 0.00 H new ATOM 0 HD12 LEU A 744 22.882 -17.356 -16.780 1.00 0.00 H new ATOM 0 HD13 LEU A 744 21.391 -17.615 -15.844 1.00 0.00 H new ATOM 0 HD21 LEU A 744 19.796 -15.367 -17.186 1.00 0.00 H new ATOM 0 HD22 LEU A 744 19.840 -15.629 -15.426 1.00 0.00 H new ATOM 0 HD23 LEU A 744 20.281 -14.043 -16.101 1.00 0.00 H new ATOM 436 N GLU A 745 25.564 -15.736 -16.850 1.00 0.00 N ATOM 437 CA GLU A 745 26.382 -15.232 -17.940 1.00 0.00 C ATOM 438 C GLU A 745 25.613 -15.301 -19.254 1.00 0.00 C ATOM 439 O GLU A 745 25.251 -16.384 -19.715 1.00 0.00 O ATOM 440 CB GLU A 745 27.678 -16.043 -18.035 1.00 0.00 C ATOM 441 CG GLU A 745 28.497 -16.025 -16.754 1.00 0.00 C ATOM 442 CD GLU A 745 29.658 -16.996 -16.791 1.00 0.00 C ATOM 443 OE1 GLU A 745 29.432 -18.202 -16.557 1.00 0.00 O ATOM 444 OE2 GLU A 745 30.803 -16.564 -17.051 1.00 0.00 O ATOM 0 H GLU A 745 25.662 -16.737 -16.681 1.00 0.00 H new ATOM 0 HA GLU A 745 26.633 -14.190 -17.743 1.00 0.00 H new ATOM 0 HB2 GLU A 745 27.434 -17.075 -18.287 1.00 0.00 H new ATOM 0 HB3 GLU A 745 28.285 -15.650 -18.851 1.00 0.00 H new ATOM 0 HG2 GLU A 745 28.876 -15.017 -16.584 1.00 0.00 H new ATOM 0 HG3 GLU A 745 27.851 -16.269 -15.911 1.00 0.00 H new ATOM 451 N PHE A 746 25.346 -14.145 -19.838 1.00 0.00 N ATOM 452 CA PHE A 746 24.616 -14.075 -21.093 1.00 0.00 C ATOM 453 C PHE A 746 25.566 -14.171 -22.282 1.00 0.00 C ATOM 454 O PHE A 746 26.693 -13.679 -22.220 1.00 0.00 O ATOM 455 CB PHE A 746 23.823 -12.771 -21.181 1.00 0.00 C ATOM 456 CG PHE A 746 22.646 -12.700 -20.251 1.00 0.00 C ATOM 457 CD1 PHE A 746 22.818 -12.428 -18.904 1.00 0.00 C ATOM 458 CD2 PHE A 746 21.364 -12.902 -20.730 1.00 0.00 C ATOM 459 CE1 PHE A 746 21.730 -12.362 -18.054 1.00 0.00 C ATOM 460 CE2 PHE A 746 20.274 -12.836 -19.886 1.00 0.00 C ATOM 461 CZ PHE A 746 20.456 -12.565 -18.546 1.00 0.00 C ATOM 0 H PHE A 746 25.625 -13.239 -19.462 1.00 0.00 H new ATOM 0 HA PHE A 746 23.926 -14.919 -21.123 1.00 0.00 H new ATOM 0 HB2 PHE A 746 24.492 -11.937 -20.966 1.00 0.00 H new ATOM 0 HB3 PHE A 746 23.471 -12.642 -22.204 1.00 0.00 H new ATOM 0 HD1 PHE A 746 23.812 -12.266 -18.514 1.00 0.00 H new ATOM 0 HD2 PHE A 746 21.214 -13.114 -21.778 1.00 0.00 H new ATOM 0 HE1 PHE A 746 21.876 -12.152 -17.005 1.00 0.00 H new ATOM 0 HE2 PHE A 746 19.279 -12.996 -20.275 1.00 0.00 H new ATOM 0 HZ PHE A 746 19.605 -12.512 -17.884 1.00 0.00 H new ATOM 471 N PRO A 747 25.116 -14.807 -23.376 1.00 0.00 N ATOM 472 CA PRO A 747 25.905 -14.945 -24.607 1.00 0.00 C ATOM 473 C PRO A 747 26.322 -13.594 -25.199 1.00 0.00 C ATOM 474 O PRO A 747 25.651 -12.579 -24.999 1.00 0.00 O ATOM 475 CB PRO A 747 24.954 -15.671 -25.565 1.00 0.00 C ATOM 476 CG PRO A 747 23.963 -16.351 -24.686 1.00 0.00 C ATOM 477 CD PRO A 747 23.797 -15.457 -23.494 1.00 0.00 C ATOM 0 HA PRO A 747 26.840 -15.475 -24.424 1.00 0.00 H new ATOM 0 HB2 PRO A 747 24.465 -14.970 -26.242 1.00 0.00 H new ATOM 0 HB3 PRO A 747 25.491 -16.390 -26.184 1.00 0.00 H new ATOM 0 HG2 PRO A 747 23.014 -16.494 -25.203 1.00 0.00 H new ATOM 0 HG3 PRO A 747 24.316 -17.338 -24.389 1.00 0.00 H new ATOM 0 HD2 PRO A 747 23.001 -14.728 -23.645 1.00 0.00 H new ATOM 0 HD3 PRO A 747 23.545 -16.023 -22.597 1.00 0.00 H new ATOM 485 N PRO A 748 27.436 -13.571 -25.952 1.00 0.00 N ATOM 486 CA PRO A 748 27.954 -12.343 -26.577 1.00 0.00 C ATOM 487 C PRO A 748 27.068 -11.834 -27.715 1.00 0.00 C ATOM 488 O PRO A 748 27.268 -10.729 -28.224 1.00 0.00 O ATOM 489 CB PRO A 748 29.317 -12.772 -27.126 1.00 0.00 C ATOM 490 CG PRO A 748 29.209 -14.243 -27.322 1.00 0.00 C ATOM 491 CD PRO A 748 28.291 -14.739 -26.240 1.00 0.00 C ATOM 0 HA PRO A 748 27.997 -11.520 -25.863 1.00 0.00 H new ATOM 0 HB2 PRO A 748 29.542 -12.265 -28.064 1.00 0.00 H new ATOM 0 HB3 PRO A 748 30.118 -12.525 -26.430 1.00 0.00 H new ATOM 0 HG2 PRO A 748 28.811 -14.477 -28.309 1.00 0.00 H new ATOM 0 HG3 PRO A 748 30.187 -14.719 -27.252 1.00 0.00 H new ATOM 0 HD2 PRO A 748 27.703 -15.594 -26.573 1.00 0.00 H new ATOM 0 HD3 PRO A 748 28.846 -15.058 -25.358 1.00 0.00 H new ATOM 499 N SER A 749 26.095 -12.647 -28.102 1.00 0.00 N ATOM 500 CA SER A 749 25.193 -12.319 -29.196 1.00 0.00 C ATOM 501 C SER A 749 24.251 -11.170 -28.833 1.00 0.00 C ATOM 502 O SER A 749 23.748 -10.474 -29.717 1.00 0.00 O ATOM 503 CB SER A 749 24.405 -13.567 -29.593 1.00 0.00 C ATOM 504 OG SER A 749 24.086 -14.346 -28.448 1.00 0.00 O ATOM 0 H SER A 749 25.909 -13.551 -27.667 1.00 0.00 H new ATOM 0 HA SER A 749 25.788 -11.981 -30.044 1.00 0.00 H new ATOM 0 HB2 SER A 749 23.489 -13.276 -30.108 1.00 0.00 H new ATOM 0 HB3 SER A 749 24.989 -14.164 -30.294 1.00 0.00 H new ATOM 0 HG SER A 749 23.580 -15.139 -28.723 1.00 0.00 H new ATOM 510 N LEU A 750 24.018 -10.978 -27.535 1.00 0.00 N ATOM 511 CA LEU A 750 23.212 -9.856 -27.053 1.00 0.00 C ATOM 512 C LEU A 750 23.785 -8.536 -27.563 1.00 0.00 C ATOM 513 O LEU A 750 24.924 -8.187 -27.244 1.00 0.00 O ATOM 514 CB LEU A 750 23.185 -9.826 -25.520 1.00 0.00 C ATOM 515 CG LEU A 750 22.148 -10.732 -24.846 1.00 0.00 C ATOM 516 CD1 LEU A 750 22.475 -12.201 -25.060 1.00 0.00 C ATOM 517 CD2 LEU A 750 22.062 -10.414 -23.362 1.00 0.00 C ATOM 0 H LEU A 750 24.376 -11.585 -26.798 1.00 0.00 H new ATOM 0 HA LEU A 750 22.197 -9.987 -27.429 1.00 0.00 H new ATOM 0 HB2 LEU A 750 24.173 -10.104 -25.154 1.00 0.00 H new ATOM 0 HB3 LEU A 750 23.004 -8.800 -25.200 1.00 0.00 H new ATOM 0 HG LEU A 750 21.179 -10.539 -25.306 1.00 0.00 H new ATOM 0 HD11 LEU A 750 21.721 -12.817 -24.570 1.00 0.00 H new ATOM 0 HD12 LEU A 750 22.484 -12.420 -26.128 1.00 0.00 H new ATOM 0 HD13 LEU A 750 23.455 -12.421 -24.636 1.00 0.00 H new ATOM 0 HD21 LEU A 750 21.323 -11.063 -22.893 1.00 0.00 H new ATOM 0 HD22 LEU A 750 23.035 -10.577 -22.898 1.00 0.00 H new ATOM 0 HD23 LEU A 750 21.767 -9.373 -23.229 1.00 0.00 H new ATOM 529 N ASN A 751 23.013 -7.806 -28.361 1.00 0.00 N ATOM 530 CA ASN A 751 23.476 -6.520 -28.872 1.00 0.00 C ATOM 531 C ASN A 751 23.373 -5.473 -27.766 1.00 0.00 C ATOM 532 O ASN A 751 22.865 -5.771 -26.684 1.00 0.00 O ATOM 533 CB ASN A 751 22.692 -6.096 -30.130 1.00 0.00 C ATOM 534 CG ASN A 751 21.402 -5.341 -29.842 1.00 0.00 C ATOM 535 OD1 ASN A 751 21.399 -4.114 -29.745 1.00 0.00 O ATOM 536 ND2 ASN A 751 20.299 -6.058 -29.714 1.00 0.00 N ATOM 0 H ASN A 751 22.078 -8.077 -28.665 1.00 0.00 H new ATOM 0 HA ASN A 751 24.519 -6.613 -29.174 1.00 0.00 H new ATOM 0 HB2 ASN A 751 23.334 -5.470 -30.750 1.00 0.00 H new ATOM 0 HB3 ASN A 751 22.455 -6.986 -30.713 1.00 0.00 H new ATOM 0 HD21 ASN A 751 19.409 -5.596 -29.529 1.00 0.00 H new ATOM 0 HD22 ASN A 751 20.338 -7.074 -29.800 1.00 0.00 H new ATOM 543 N SER A 752 23.854 -4.259 -28.019 1.00 0.00 N ATOM 544 CA SER A 752 23.889 -3.223 -26.990 1.00 0.00 C ATOM 545 C SER A 752 22.504 -2.981 -26.385 1.00 0.00 C ATOM 546 O SER A 752 22.388 -2.672 -25.202 1.00 0.00 O ATOM 547 CB SER A 752 24.451 -1.916 -27.557 1.00 0.00 C ATOM 548 OG SER A 752 24.716 -0.974 -26.525 1.00 0.00 O ATOM 0 H SER A 752 24.224 -3.969 -28.924 1.00 0.00 H new ATOM 0 HA SER A 752 24.546 -3.576 -26.195 1.00 0.00 H new ATOM 0 HB2 SER A 752 25.369 -2.122 -28.108 1.00 0.00 H new ATOM 0 HB3 SER A 752 23.741 -1.491 -28.267 1.00 0.00 H new ATOM 0 HG SER A 752 25.075 -0.151 -26.918 1.00 0.00 H new ATOM 554 N HIS A 753 21.461 -3.142 -27.190 1.00 0.00 N ATOM 555 CA HIS A 753 20.094 -2.942 -26.719 1.00 0.00 C ATOM 556 C HIS A 753 19.601 -4.159 -25.941 1.00 0.00 C ATOM 557 O HIS A 753 18.803 -4.025 -25.012 1.00 0.00 O ATOM 558 CB HIS A 753 19.154 -2.638 -27.890 1.00 0.00 C ATOM 559 CG HIS A 753 19.494 -1.366 -28.606 1.00 0.00 C ATOM 560 ND1 HIS A 753 19.809 -1.295 -29.945 1.00 0.00 N ATOM 561 CD2 HIS A 753 19.574 -0.094 -28.135 1.00 0.00 C ATOM 562 CE1 HIS A 753 20.067 -0.014 -30.240 1.00 0.00 C ATOM 563 NE2 HIS A 753 19.938 0.756 -29.175 1.00 0.00 N ATOM 0 H HIS A 753 21.534 -3.410 -28.171 1.00 0.00 H new ATOM 0 HA HIS A 753 20.094 -2.084 -26.046 1.00 0.00 H new ATOM 0 HB2 HIS A 753 19.187 -3.466 -28.598 1.00 0.00 H new ATOM 0 HB3 HIS A 753 18.131 -2.576 -27.519 1.00 0.00 H new ATOM 0 HD2 HIS A 753 19.385 0.209 -27.116 1.00 0.00 H new ATOM 0 HE1 HIS A 753 20.344 0.343 -31.221 1.00 0.00 H new ATOM 0 HE2 HIS A 753 20.077 1.765 -29.125 1.00 0.00 H new ATOM 571 N ASP A 754 20.074 -5.345 -26.317 1.00 0.00 N ATOM 572 CA ASP A 754 19.759 -6.558 -25.562 1.00 0.00 C ATOM 573 C ASP A 754 20.400 -6.475 -24.191 1.00 0.00 C ATOM 574 O ASP A 754 19.770 -6.763 -23.176 1.00 0.00 O ATOM 575 CB ASP A 754 20.265 -7.821 -26.265 1.00 0.00 C ATOM 576 CG ASP A 754 19.576 -8.103 -27.582 1.00 0.00 C ATOM 577 OD1 ASP A 754 18.337 -7.970 -27.658 1.00 0.00 O ATOM 578 OD2 ASP A 754 20.279 -8.467 -28.550 1.00 0.00 O ATOM 0 H ASP A 754 20.671 -5.493 -27.131 1.00 0.00 H new ATOM 0 HA ASP A 754 18.674 -6.624 -25.483 1.00 0.00 H new ATOM 0 HB2 ASP A 754 21.337 -7.724 -26.439 1.00 0.00 H new ATOM 0 HB3 ASP A 754 20.126 -8.675 -25.602 1.00 0.00 H new ATOM 583 N ARG A 755 21.665 -6.060 -24.175 1.00 0.00 N ATOM 584 CA ARG A 755 22.389 -5.880 -22.927 1.00 0.00 C ATOM 585 C ARG A 755 21.714 -4.799 -22.092 1.00 0.00 C ATOM 586 O ARG A 755 21.468 -4.996 -20.910 1.00 0.00 O ATOM 587 CB ARG A 755 23.855 -5.507 -23.182 1.00 0.00 C ATOM 588 CG ARG A 755 24.614 -6.503 -24.049 1.00 0.00 C ATOM 589 CD ARG A 755 26.102 -6.177 -24.098 1.00 0.00 C ATOM 590 NE ARG A 755 26.813 -6.961 -25.110 1.00 0.00 N ATOM 591 CZ ARG A 755 27.678 -7.940 -24.843 1.00 0.00 C ATOM 592 NH1 ARG A 755 27.975 -8.254 -23.588 1.00 0.00 N ATOM 593 NH2 ARG A 755 28.267 -8.595 -25.838 1.00 0.00 N ATOM 0 H ARG A 755 22.206 -5.843 -25.012 1.00 0.00 H new ATOM 0 HA ARG A 755 22.372 -6.825 -22.384 1.00 0.00 H new ATOM 0 HB2 ARG A 755 23.891 -4.527 -23.659 1.00 0.00 H new ATOM 0 HB3 ARG A 755 24.366 -5.414 -22.224 1.00 0.00 H new ATOM 0 HG2 ARG A 755 24.473 -7.510 -23.657 1.00 0.00 H new ATOM 0 HG3 ARG A 755 24.205 -6.494 -25.059 1.00 0.00 H new ATOM 0 HD2 ARG A 755 26.232 -5.115 -24.308 1.00 0.00 H new ATOM 0 HD3 ARG A 755 26.545 -6.365 -23.120 1.00 0.00 H new ATOM 0 HE ARG A 755 26.634 -6.742 -26.090 1.00 0.00 H new ATOM 0 HH11 ARG A 755 27.540 -7.745 -22.818 1.00 0.00 H new ATOM 0 HH12 ARG A 755 28.638 -9.004 -23.393 1.00 0.00 H new ATOM 0 HH21 ARG A 755 28.057 -8.349 -26.805 1.00 0.00 H new ATOM 0 HH22 ARG A 755 28.929 -9.344 -25.634 1.00 0.00 H new ATOM 607 N LEU A 756 21.401 -3.668 -22.728 1.00 0.00 N ATOM 608 CA LEU A 756 20.732 -2.552 -22.056 1.00 0.00 C ATOM 609 C LEU A 756 19.437 -3.012 -21.398 1.00 0.00 C ATOM 610 O LEU A 756 19.109 -2.592 -20.288 1.00 0.00 O ATOM 611 CB LEU A 756 20.434 -1.431 -23.057 1.00 0.00 C ATOM 612 CG LEU A 756 19.733 -0.197 -22.478 1.00 0.00 C ATOM 613 CD1 LEU A 756 20.610 0.496 -21.446 1.00 0.00 C ATOM 614 CD2 LEU A 756 19.367 0.769 -23.591 1.00 0.00 C ATOM 0 H LEU A 756 21.602 -3.500 -23.714 1.00 0.00 H new ATOM 0 HA LEU A 756 21.400 -2.174 -21.282 1.00 0.00 H new ATOM 0 HB2 LEU A 756 21.373 -1.114 -23.511 1.00 0.00 H new ATOM 0 HB3 LEU A 756 19.815 -1.837 -23.857 1.00 0.00 H new ATOM 0 HG LEU A 756 18.821 -0.527 -21.981 1.00 0.00 H new ATOM 0 HD11 LEU A 756 20.088 1.368 -21.052 1.00 0.00 H new ATOM 0 HD12 LEU A 756 20.829 -0.195 -20.632 1.00 0.00 H new ATOM 0 HD13 LEU A 756 21.542 0.812 -21.914 1.00 0.00 H new ATOM 0 HD21 LEU A 756 18.870 1.641 -23.167 1.00 0.00 H new ATOM 0 HD22 LEU A 756 20.271 1.084 -24.111 1.00 0.00 H new ATOM 0 HD23 LEU A 756 18.697 0.276 -24.295 1.00 0.00 H new ATOM 626 N ARG A 757 18.705 -3.872 -22.100 1.00 0.00 N ATOM 627 CA ARG A 757 17.488 -4.466 -21.570 1.00 0.00 C ATOM 628 C ARG A 757 17.791 -5.193 -20.262 1.00 0.00 C ATOM 629 O ARG A 757 17.142 -4.955 -19.244 1.00 0.00 O ATOM 630 CB ARG A 757 16.901 -5.438 -22.598 1.00 0.00 C ATOM 631 CG ARG A 757 15.531 -5.990 -22.239 1.00 0.00 C ATOM 632 CD ARG A 757 14.470 -4.902 -22.205 1.00 0.00 C ATOM 633 NE ARG A 757 13.121 -5.464 -22.161 1.00 0.00 N ATOM 634 CZ ARG A 757 12.018 -4.754 -21.919 1.00 0.00 C ATOM 635 NH1 ARG A 757 12.094 -3.454 -21.671 1.00 0.00 N ATOM 636 NH2 ARG A 757 10.835 -5.352 -21.934 1.00 0.00 N ATOM 0 H ARG A 757 18.939 -4.173 -23.046 1.00 0.00 H new ATOM 0 HA ARG A 757 16.759 -3.681 -21.370 1.00 0.00 H new ATOM 0 HB2 ARG A 757 16.833 -4.930 -23.560 1.00 0.00 H new ATOM 0 HB3 ARG A 757 17.592 -6.272 -22.726 1.00 0.00 H new ATOM 0 HG2 ARG A 757 15.246 -6.752 -22.964 1.00 0.00 H new ATOM 0 HG3 ARG A 757 15.581 -6.479 -21.266 1.00 0.00 H new ATOM 0 HD2 ARG A 757 14.628 -4.266 -21.334 1.00 0.00 H new ATOM 0 HD3 ARG A 757 14.571 -4.267 -23.085 1.00 0.00 H new ATOM 0 HE ARG A 757 13.016 -6.465 -22.326 1.00 0.00 H new ATOM 0 HH11 ARG A 757 13.001 -2.988 -21.664 1.00 0.00 H new ATOM 0 HH12 ARG A 757 11.245 -2.919 -21.487 1.00 0.00 H new ATOM 0 HH21 ARG A 757 10.771 -6.351 -22.130 1.00 0.00 H new ATOM 0 HH22 ARG A 757 9.989 -4.813 -21.750 1.00 0.00 H new ATOM 650 N VAL A 758 18.806 -6.053 -20.299 1.00 0.00 N ATOM 651 CA VAL A 758 19.233 -6.805 -19.122 1.00 0.00 C ATOM 652 C VAL A 758 19.676 -5.870 -17.998 1.00 0.00 C ATOM 653 O VAL A 758 19.225 -6.009 -16.859 1.00 0.00 O ATOM 654 CB VAL A 758 20.390 -7.770 -19.462 1.00 0.00 C ATOM 655 CG1 VAL A 758 20.886 -8.487 -18.216 1.00 0.00 C ATOM 656 CG2 VAL A 758 19.957 -8.775 -20.515 1.00 0.00 C ATOM 0 H VAL A 758 19.352 -6.247 -21.139 1.00 0.00 H new ATOM 0 HA VAL A 758 18.372 -7.384 -18.787 1.00 0.00 H new ATOM 0 HB VAL A 758 21.213 -7.179 -19.864 1.00 0.00 H new ATOM 0 HG11 VAL A 758 21.700 -9.160 -18.484 1.00 0.00 H new ATOM 0 HG12 VAL A 758 21.244 -7.754 -17.493 1.00 0.00 H new ATOM 0 HG13 VAL A 758 20.070 -9.061 -17.777 1.00 0.00 H new ATOM 0 HG21 VAL A 758 20.786 -9.446 -20.741 1.00 0.00 H new ATOM 0 HG22 VAL A 758 19.113 -9.354 -20.140 1.00 0.00 H new ATOM 0 HG23 VAL A 758 19.660 -8.247 -21.421 1.00 0.00 H new ATOM 666 N HIS A 759 20.545 -4.914 -18.330 1.00 0.00 N ATOM 667 CA HIS A 759 21.051 -3.951 -17.352 1.00 0.00 C ATOM 668 C HIS A 759 19.898 -3.254 -16.638 1.00 0.00 C ATOM 669 O HIS A 759 19.849 -3.226 -15.411 1.00 0.00 O ATOM 670 CB HIS A 759 21.955 -2.896 -18.015 1.00 0.00 C ATOM 671 CG HIS A 759 23.299 -3.401 -18.465 1.00 0.00 C ATOM 672 ND1 HIS A 759 24.315 -3.643 -17.575 1.00 0.00 N ATOM 673 CD2 HIS A 759 23.747 -3.660 -19.715 1.00 0.00 C ATOM 674 CE1 HIS A 759 25.345 -4.039 -18.296 1.00 0.00 C ATOM 675 NE2 HIS A 759 25.053 -4.064 -19.603 1.00 0.00 N ATOM 0 H HIS A 759 20.914 -4.786 -19.272 1.00 0.00 H new ATOM 0 HA HIS A 759 21.643 -4.508 -16.626 1.00 0.00 H new ATOM 0 HB2 HIS A 759 21.432 -2.482 -18.877 1.00 0.00 H new ATOM 0 HB3 HIS A 759 22.108 -2.077 -17.312 1.00 0.00 H new ATOM 0 HD1 HIS A 759 24.280 -3.538 -16.561 1.00 0.00 H new ATOM 0 HD2 HIS A 759 23.182 -3.566 -20.630 1.00 0.00 H new ATOM 0 HE1 HIS A 759 26.306 -4.310 -17.884 1.00 0.00 H new ATOM 683 N GLN A 760 18.958 -2.717 -17.409 1.00 0.00 N ATOM 684 CA GLN A 760 17.822 -2.002 -16.842 1.00 0.00 C ATOM 685 C GLN A 760 16.982 -2.896 -15.934 1.00 0.00 C ATOM 686 O GLN A 760 16.583 -2.482 -14.844 1.00 0.00 O ATOM 687 CB GLN A 760 16.938 -1.428 -17.946 1.00 0.00 C ATOM 688 CG GLN A 760 17.533 -0.217 -18.641 1.00 0.00 C ATOM 689 CD GLN A 760 16.540 0.470 -19.556 1.00 0.00 C ATOM 690 OE1 GLN A 760 15.333 0.439 -19.319 1.00 0.00 O ATOM 691 NE2 GLN A 760 17.038 1.112 -20.596 1.00 0.00 N ATOM 0 H GLN A 760 18.961 -2.764 -18.428 1.00 0.00 H new ATOM 0 HA GLN A 760 18.228 -1.189 -16.241 1.00 0.00 H new ATOM 0 HB2 GLN A 760 16.749 -2.204 -18.688 1.00 0.00 H new ATOM 0 HB3 GLN A 760 15.973 -1.153 -17.520 1.00 0.00 H new ATOM 0 HG2 GLN A 760 17.884 0.493 -17.892 1.00 0.00 H new ATOM 0 HG3 GLN A 760 18.404 -0.525 -19.220 1.00 0.00 H new ATOM 0 HE21 GLN A 760 18.045 1.115 -20.759 1.00 0.00 H new ATOM 0 HE22 GLN A 760 16.416 1.605 -21.236 1.00 0.00 H new ATOM 700 N ILE A 761 16.718 -4.119 -16.383 1.00 0.00 N ATOM 701 CA ILE A 761 15.885 -5.045 -15.621 1.00 0.00 C ATOM 702 C ILE A 761 16.568 -5.448 -14.319 1.00 0.00 C ATOM 703 O ILE A 761 15.971 -5.373 -13.246 1.00 0.00 O ATOM 704 CB ILE A 761 15.532 -6.310 -16.439 1.00 0.00 C ATOM 705 CG1 ILE A 761 14.711 -5.920 -17.661 1.00 0.00 C ATOM 706 CG2 ILE A 761 14.755 -7.302 -15.582 1.00 0.00 C ATOM 707 CD1 ILE A 761 14.494 -7.049 -18.641 1.00 0.00 C ATOM 0 H ILE A 761 17.067 -4.491 -17.266 1.00 0.00 H new ATOM 0 HA ILE A 761 14.958 -4.520 -15.391 1.00 0.00 H new ATOM 0 HB ILE A 761 16.457 -6.786 -16.764 1.00 0.00 H new ATOM 0 HG12 ILE A 761 13.741 -5.548 -17.331 1.00 0.00 H new ATOM 0 HG13 ILE A 761 15.210 -5.098 -18.174 1.00 0.00 H new ATOM 0 HG21 ILE A 761 14.516 -8.185 -16.174 1.00 0.00 H new ATOM 0 HG22 ILE A 761 15.360 -7.594 -14.724 1.00 0.00 H new ATOM 0 HG23 ILE A 761 13.832 -6.838 -15.234 1.00 0.00 H new ATOM 0 HD11 ILE A 761 13.901 -6.691 -19.483 1.00 0.00 H new ATOM 0 HD12 ILE A 761 15.458 -7.407 -19.002 1.00 0.00 H new ATOM 0 HD13 ILE A 761 13.966 -7.864 -18.146 1.00 0.00 H new ATOM 719 N ALA A 762 17.829 -5.853 -14.409 1.00 0.00 N ATOM 720 CA ALA A 762 18.580 -6.268 -13.229 1.00 0.00 C ATOM 721 C ALA A 762 18.763 -5.096 -12.270 1.00 0.00 C ATOM 722 O ALA A 762 18.796 -5.274 -11.050 1.00 0.00 O ATOM 723 CB ALA A 762 19.931 -6.835 -13.629 1.00 0.00 C ATOM 0 H ALA A 762 18.352 -5.903 -15.283 1.00 0.00 H new ATOM 0 HA ALA A 762 18.013 -7.047 -12.720 1.00 0.00 H new ATOM 0 HB1 ALA A 762 20.477 -7.139 -12.736 1.00 0.00 H new ATOM 0 HB2 ALA A 762 19.785 -7.699 -14.277 1.00 0.00 H new ATOM 0 HB3 ALA A 762 20.502 -6.074 -14.161 1.00 0.00 H new ATOM 729 N GLU A 763 18.877 -3.902 -12.839 1.00 0.00 N ATOM 730 CA GLU A 763 19.028 -2.672 -12.070 1.00 0.00 C ATOM 731 C GLU A 763 17.763 -2.390 -11.263 1.00 0.00 C ATOM 732 O GLU A 763 17.827 -1.920 -10.125 1.00 0.00 O ATOM 733 CB GLU A 763 19.333 -1.521 -13.034 1.00 0.00 C ATOM 734 CG GLU A 763 19.854 -0.251 -12.385 1.00 0.00 C ATOM 735 CD GLU A 763 20.434 0.707 -13.408 1.00 0.00 C ATOM 736 OE1 GLU A 763 19.661 1.296 -14.193 1.00 0.00 O ATOM 737 OE2 GLU A 763 21.671 0.874 -13.440 1.00 0.00 O ATOM 0 H GLU A 763 18.867 -3.759 -13.849 1.00 0.00 H new ATOM 0 HA GLU A 763 19.852 -2.776 -11.364 1.00 0.00 H new ATOM 0 HB2 GLU A 763 20.067 -1.864 -13.763 1.00 0.00 H new ATOM 0 HB3 GLU A 763 18.424 -1.281 -13.586 1.00 0.00 H new ATOM 0 HG2 GLU A 763 19.044 0.240 -11.845 1.00 0.00 H new ATOM 0 HG3 GLU A 763 20.618 -0.505 -11.651 1.00 0.00 H new ATOM 744 N GLU A 764 16.620 -2.699 -11.859 1.00 0.00 N ATOM 745 CA GLU A 764 15.335 -2.533 -11.196 1.00 0.00 C ATOM 746 C GLU A 764 15.120 -3.630 -10.153 1.00 0.00 C ATOM 747 O GLU A 764 14.689 -3.359 -9.034 1.00 0.00 O ATOM 748 CB GLU A 764 14.211 -2.549 -12.238 1.00 0.00 C ATOM 749 CG GLU A 764 12.804 -2.510 -11.655 1.00 0.00 C ATOM 750 CD GLU A 764 12.576 -1.324 -10.744 1.00 0.00 C ATOM 751 OE1 GLU A 764 12.576 -0.178 -11.234 1.00 0.00 O ATOM 752 OE2 GLU A 764 12.385 -1.532 -9.530 1.00 0.00 O ATOM 0 H GLU A 764 16.557 -3.069 -12.808 1.00 0.00 H new ATOM 0 HA GLU A 764 15.325 -1.573 -10.679 1.00 0.00 H new ATOM 0 HB2 GLU A 764 14.338 -1.695 -12.903 1.00 0.00 H new ATOM 0 HB3 GLU A 764 14.312 -3.446 -12.848 1.00 0.00 H new ATOM 0 HG2 GLU A 764 12.080 -2.481 -12.469 1.00 0.00 H new ATOM 0 HG3 GLU A 764 12.621 -3.429 -11.099 1.00 0.00 H new ATOM 759 N HIS A 765 15.457 -4.860 -10.519 1.00 0.00 N ATOM 760 CA HIS A 765 15.241 -6.007 -9.640 1.00 0.00 C ATOM 761 C HIS A 765 16.169 -5.965 -8.431 1.00 0.00 C ATOM 762 O HIS A 765 15.865 -6.542 -7.387 1.00 0.00 O ATOM 763 CB HIS A 765 15.420 -7.321 -10.406 1.00 0.00 C ATOM 764 CG HIS A 765 14.234 -7.692 -11.253 1.00 0.00 C ATOM 765 ND1 HIS A 765 13.598 -8.912 -11.185 1.00 0.00 N ATOM 766 CD2 HIS A 765 13.574 -6.980 -12.200 1.00 0.00 C ATOM 767 CE1 HIS A 765 12.594 -8.904 -12.070 1.00 0.00 C ATOM 768 NE2 HIS A 765 12.536 -7.756 -12.713 1.00 0.00 N ATOM 0 H HIS A 765 15.881 -5.091 -11.417 1.00 0.00 H new ATOM 0 HA HIS A 765 14.215 -5.954 -9.277 1.00 0.00 H new ATOM 0 HB2 HIS A 765 16.301 -7.243 -11.044 1.00 0.00 H new ATOM 0 HB3 HIS A 765 15.612 -8.123 -9.694 1.00 0.00 H new ATOM 0 HD1 HIS A 765 13.848 -9.685 -10.569 1.00 0.00 H new ATOM 0 HD2 HIS A 765 13.814 -5.973 -12.507 1.00 0.00 H new ATOM 0 HE1 HIS A 765 11.919 -9.731 -12.235 1.00 0.00 H new ATOM 776 N GLY A 766 17.302 -5.289 -8.573 1.00 0.00 N ATOM 777 CA GLY A 766 18.189 -5.093 -7.442 1.00 0.00 C ATOM 778 C GLY A 766 19.353 -6.061 -7.424 1.00 0.00 C ATOM 779 O GLY A 766 19.860 -6.414 -6.359 1.00 0.00 O ATOM 0 H GLY A 766 17.622 -4.874 -9.448 1.00 0.00 H new ATOM 0 HA2 GLY A 766 18.573 -4.073 -7.462 1.00 0.00 H new ATOM 0 HA3 GLY A 766 17.620 -5.202 -6.519 1.00 0.00 H new ATOM 783 N LEU A 767 19.777 -6.485 -8.603 1.00 0.00 N ATOM 784 CA LEU A 767 20.931 -7.366 -8.736 1.00 0.00 C ATOM 785 C LEU A 767 22.098 -6.576 -9.310 1.00 0.00 C ATOM 786 O LEU A 767 21.921 -5.434 -9.737 1.00 0.00 O ATOM 787 CB LEU A 767 20.601 -8.540 -9.662 1.00 0.00 C ATOM 788 CG LEU A 767 19.351 -9.342 -9.293 1.00 0.00 C ATOM 789 CD1 LEU A 767 19.060 -10.383 -10.362 1.00 0.00 C ATOM 790 CD2 LEU A 767 19.518 -10.010 -7.937 1.00 0.00 C ATOM 0 H LEU A 767 19.338 -6.233 -9.488 1.00 0.00 H new ATOM 0 HA LEU A 767 21.196 -7.759 -7.754 1.00 0.00 H new ATOM 0 HB2 LEU A 767 20.479 -8.157 -10.675 1.00 0.00 H new ATOM 0 HB3 LEU A 767 21.454 -9.218 -9.678 1.00 0.00 H new ATOM 0 HG LEU A 767 18.508 -8.654 -9.233 1.00 0.00 H new ATOM 0 HD11 LEU A 767 18.168 -10.947 -10.088 1.00 0.00 H new ATOM 0 HD12 LEU A 767 18.895 -9.886 -11.318 1.00 0.00 H new ATOM 0 HD13 LEU A 767 19.907 -11.063 -10.448 1.00 0.00 H new ATOM 0 HD21 LEU A 767 18.617 -10.574 -7.696 1.00 0.00 H new ATOM 0 HD22 LEU A 767 20.372 -10.686 -7.967 1.00 0.00 H new ATOM 0 HD23 LEU A 767 19.684 -9.249 -7.175 1.00 0.00 H new ATOM 802 N ARG A 768 23.289 -7.159 -9.329 1.00 0.00 N ATOM 803 CA ARG A 768 24.406 -6.486 -9.962 1.00 0.00 C ATOM 804 C ARG A 768 24.574 -6.996 -11.383 1.00 0.00 C ATOM 805 O ARG A 768 24.438 -8.189 -11.649 1.00 0.00 O ATOM 806 CB ARG A 768 25.719 -6.649 -9.199 1.00 0.00 C ATOM 807 CG ARG A 768 26.760 -5.654 -9.688 1.00 0.00 C ATOM 808 CD ARG A 768 28.144 -5.875 -9.104 1.00 0.00 C ATOM 809 NE ARG A 768 29.059 -4.829 -9.566 1.00 0.00 N ATOM 810 CZ ARG A 768 30.268 -5.047 -10.089 1.00 0.00 C ATOM 811 NH1 ARG A 768 30.778 -6.275 -10.138 1.00 0.00 N ATOM 812 NH2 ARG A 768 30.976 -4.024 -10.552 1.00 0.00 N ATOM 0 H ARG A 768 23.500 -8.071 -8.925 1.00 0.00 H new ATOM 0 HA ARG A 768 24.172 -5.422 -9.963 1.00 0.00 H new ATOM 0 HB2 ARG A 768 25.545 -6.504 -8.133 1.00 0.00 H new ATOM 0 HB3 ARG A 768 26.094 -7.665 -9.326 1.00 0.00 H new ATOM 0 HG2 ARG A 768 26.821 -5.712 -10.775 1.00 0.00 H new ATOM 0 HG3 ARG A 768 26.429 -4.645 -9.441 1.00 0.00 H new ATOM 0 HD2 ARG A 768 28.093 -5.869 -8.015 1.00 0.00 H new ATOM 0 HD3 ARG A 768 28.520 -6.854 -9.400 1.00 0.00 H new ATOM 0 HE ARG A 768 28.749 -3.861 -9.482 1.00 0.00 H new ATOM 0 HH11 ARG A 768 30.244 -7.064 -9.773 1.00 0.00 H new ATOM 0 HH12 ARG A 768 31.703 -6.427 -10.540 1.00 0.00 H new ATOM 0 HH21 ARG A 768 30.596 -3.079 -10.507 1.00 0.00 H new ATOM 0 HH22 ARG A 768 31.900 -4.183 -10.953 1.00 0.00 H new ATOM 826 N HIS A 769 24.872 -6.081 -12.280 1.00 0.00 N ATOM 827 CA HIS A 769 24.999 -6.390 -13.691 1.00 0.00 C ATOM 828 C HIS A 769 26.212 -5.680 -14.267 1.00 0.00 C ATOM 829 O HIS A 769 26.417 -4.488 -14.026 1.00 0.00 O ATOM 830 CB HIS A 769 23.725 -5.977 -14.437 1.00 0.00 C ATOM 831 CG HIS A 769 23.219 -4.616 -14.056 1.00 0.00 C ATOM 832 ND1 HIS A 769 23.441 -3.520 -14.845 1.00 0.00 N ATOM 833 CD2 HIS A 769 22.528 -4.233 -12.955 1.00 0.00 C ATOM 834 CE1 HIS A 769 22.887 -2.502 -14.220 1.00 0.00 C ATOM 835 NE2 HIS A 769 22.321 -2.883 -13.067 1.00 0.00 N ATOM 0 H HIS A 769 25.034 -5.100 -12.053 1.00 0.00 H new ATOM 0 HA HIS A 769 25.135 -7.465 -13.812 1.00 0.00 H new ATOM 0 HB2 HIS A 769 23.920 -5.996 -15.509 1.00 0.00 H new ATOM 0 HB3 HIS A 769 22.945 -6.713 -14.242 1.00 0.00 H new ATOM 0 HD2 HIS A 769 22.203 -4.869 -12.145 1.00 0.00 H new ATOM 0 HE1 HIS A 769 22.889 -1.487 -14.590 1.00 0.00 H new ATOM 0 HE2 HIS A 769 21.831 -2.285 -12.402 1.00 0.00 H new ATOM 843 N ASP A 770 27.029 -6.418 -14.998 1.00 0.00 N ATOM 844 CA ASP A 770 28.235 -5.860 -15.596 1.00 0.00 C ATOM 845 C ASP A 770 28.703 -6.731 -16.750 1.00 0.00 C ATOM 846 O ASP A 770 28.551 -7.954 -16.719 1.00 0.00 O ATOM 847 CB ASP A 770 29.342 -5.739 -14.542 1.00 0.00 C ATOM 848 CG ASP A 770 30.618 -5.132 -15.094 1.00 0.00 C ATOM 849 OD1 ASP A 770 30.559 -4.016 -15.656 1.00 0.00 O ATOM 850 OD2 ASP A 770 31.688 -5.760 -14.951 1.00 0.00 O ATOM 0 H ASP A 770 26.881 -7.408 -15.194 1.00 0.00 H new ATOM 0 HA ASP A 770 28.006 -4.866 -15.980 1.00 0.00 H new ATOM 0 HB2 ASP A 770 28.983 -5.128 -13.714 1.00 0.00 H new ATOM 0 HB3 ASP A 770 29.561 -6.727 -14.137 1.00 0.00 H new ATOM 855 N SER A 771 29.248 -6.105 -17.781 1.00 0.00 N ATOM 856 CA SER A 771 29.756 -6.840 -18.920 1.00 0.00 C ATOM 857 C SER A 771 31.266 -6.759 -18.959 1.00 0.00 C ATOM 858 O SER A 771 31.866 -5.763 -18.557 1.00 0.00 O ATOM 859 CB SER A 771 29.172 -6.311 -20.224 1.00 0.00 C ATOM 860 OG SER A 771 29.414 -7.198 -21.302 1.00 0.00 O ATOM 0 H SER A 771 29.348 -5.092 -17.849 1.00 0.00 H new ATOM 0 HA SER A 771 29.453 -7.881 -18.811 1.00 0.00 H new ATOM 0 HB2 SER A 771 28.098 -6.162 -20.109 1.00 0.00 H new ATOM 0 HB3 SER A 771 29.606 -5.337 -20.449 1.00 0.00 H new ATOM 0 HG SER A 771 29.878 -7.996 -20.972 1.00 0.00 H new ATOM 976 N PHE A 779 30.694 -10.515 -22.742 1.00 0.00 N ATOM 977 CA PHE A 779 29.434 -11.059 -22.268 1.00 0.00 C ATOM 978 C PHE A 779 28.986 -10.296 -21.035 1.00 0.00 C ATOM 979 O PHE A 779 29.806 -9.675 -20.358 1.00 0.00 O ATOM 980 CB PHE A 779 29.576 -12.556 -21.954 1.00 0.00 C ATOM 981 CG PHE A 779 30.537 -12.866 -20.835 1.00 0.00 C ATOM 982 CD1 PHE A 779 31.904 -12.727 -21.015 1.00 0.00 C ATOM 983 CD2 PHE A 779 30.071 -13.304 -19.606 1.00 0.00 C ATOM 984 CE1 PHE A 779 32.787 -13.014 -19.993 1.00 0.00 C ATOM 985 CE2 PHE A 779 30.950 -13.592 -18.580 1.00 0.00 C ATOM 986 CZ PHE A 779 32.309 -13.447 -18.773 1.00 0.00 C ATOM 0 HA PHE A 779 28.682 -10.949 -23.049 1.00 0.00 H new ATOM 0 HB2 PHE A 779 28.595 -12.956 -21.696 1.00 0.00 H new ATOM 0 HB3 PHE A 779 29.905 -13.075 -22.854 1.00 0.00 H new ATOM 0 HD1 PHE A 779 32.284 -12.389 -21.968 1.00 0.00 H new ATOM 0 HD2 PHE A 779 29.009 -13.422 -19.448 1.00 0.00 H new ATOM 0 HE1 PHE A 779 33.850 -12.900 -20.148 1.00 0.00 H new ATOM 0 HE2 PHE A 779 30.574 -13.931 -17.626 1.00 0.00 H new ATOM 0 HZ PHE A 779 32.997 -13.672 -17.971 1.00 0.00 H new ATOM 996 N ILE A 780 27.694 -10.305 -20.761 1.00 0.00 N ATOM 997 CA ILE A 780 27.180 -9.618 -19.590 1.00 0.00 C ATOM 998 C ILE A 780 26.844 -10.623 -18.500 1.00 0.00 C ATOM 999 O ILE A 780 26.186 -11.634 -18.747 1.00 0.00 O ATOM 1000 CB ILE A 780 25.950 -8.732 -19.913 1.00 0.00 C ATOM 1001 CG1 ILE A 780 25.396 -8.109 -18.626 1.00 0.00 C ATOM 1002 CG2 ILE A 780 24.878 -9.523 -20.647 1.00 0.00 C ATOM 1003 CD1 ILE A 780 24.159 -7.266 -18.837 1.00 0.00 C ATOM 0 H ILE A 780 26.988 -10.775 -21.327 1.00 0.00 H new ATOM 0 HA ILE A 780 27.965 -8.950 -19.236 1.00 0.00 H new ATOM 0 HB ILE A 780 26.270 -7.928 -20.576 1.00 0.00 H new ATOM 0 HG12 ILE A 780 25.165 -8.905 -17.919 1.00 0.00 H new ATOM 0 HG13 ILE A 780 26.170 -7.492 -18.170 1.00 0.00 H new ATOM 0 HG21 ILE A 780 24.028 -8.874 -20.859 1.00 0.00 H new ATOM 0 HG22 ILE A 780 25.285 -9.906 -21.583 1.00 0.00 H new ATOM 0 HG23 ILE A 780 24.551 -10.357 -20.025 1.00 0.00 H new ATOM 0 HD11 ILE A 780 23.828 -6.860 -17.881 1.00 0.00 H new ATOM 0 HD12 ILE A 780 24.389 -6.447 -19.519 1.00 0.00 H new ATOM 0 HD13 ILE A 780 23.367 -7.882 -19.264 1.00 0.00 H new ATOM 1015 N THR A 781 27.332 -10.360 -17.305 1.00 0.00 N ATOM 1016 CA THR A 781 27.101 -11.242 -16.185 1.00 0.00 C ATOM 1017 C THR A 781 26.186 -10.581 -15.169 1.00 0.00 C ATOM 1018 O THR A 781 26.489 -9.504 -14.653 1.00 0.00 O ATOM 1019 CB THR A 781 28.425 -11.622 -15.503 1.00 0.00 C ATOM 1020 OG1 THR A 781 29.339 -12.113 -16.484 1.00 0.00 O ATOM 1021 CG2 THR A 781 28.209 -12.686 -14.435 1.00 0.00 C ATOM 0 H THR A 781 27.894 -9.537 -17.086 1.00 0.00 H new ATOM 0 HA THR A 781 26.627 -12.146 -16.567 1.00 0.00 H new ATOM 0 HB THR A 781 28.831 -10.732 -15.022 1.00 0.00 H new ATOM 0 HG1 THR A 781 28.940 -12.877 -16.949 1.00 0.00 H new ATOM 0 HG21 THR A 781 29.163 -12.934 -13.970 1.00 0.00 H new ATOM 0 HG22 THR A 781 27.524 -12.307 -13.677 1.00 0.00 H new ATOM 0 HG23 THR A 781 27.785 -13.580 -14.892 1.00 0.00 H new ATOM 1029 N VAL A 782 25.055 -11.210 -14.913 1.00 0.00 N ATOM 1030 CA VAL A 782 24.171 -10.762 -13.860 1.00 0.00 C ATOM 1031 C VAL A 782 24.452 -11.574 -12.613 1.00 0.00 C ATOM 1032 O VAL A 782 24.335 -12.797 -12.620 1.00 0.00 O ATOM 1033 CB VAL A 782 22.689 -10.905 -14.252 1.00 0.00 C ATOM 1034 CG1 VAL A 782 21.779 -10.384 -13.152 1.00 0.00 C ATOM 1035 CG2 VAL A 782 22.423 -10.169 -15.545 1.00 0.00 C ATOM 0 H VAL A 782 24.729 -12.032 -15.421 1.00 0.00 H new ATOM 0 HA VAL A 782 24.358 -9.703 -13.680 1.00 0.00 H new ATOM 0 HB VAL A 782 22.473 -11.964 -14.393 1.00 0.00 H new ATOM 0 HG11 VAL A 782 20.739 -10.498 -13.456 1.00 0.00 H new ATOM 0 HG12 VAL A 782 21.953 -10.950 -12.237 1.00 0.00 H new ATOM 0 HG13 VAL A 782 21.992 -9.330 -12.973 1.00 0.00 H new ATOM 0 HG21 VAL A 782 21.372 -10.275 -15.815 1.00 0.00 H new ATOM 0 HG22 VAL A 782 22.660 -9.113 -15.418 1.00 0.00 H new ATOM 0 HG23 VAL A 782 23.045 -10.587 -16.336 1.00 0.00 H new ATOM 1045 N SER A 783 24.864 -10.903 -11.561 1.00 0.00 N ATOM 1046 CA SER A 783 25.224 -11.575 -10.335 1.00 0.00 C ATOM 1047 C SER A 783 24.251 -11.219 -9.231 1.00 0.00 C ATOM 1048 O SER A 783 23.844 -10.062 -9.099 1.00 0.00 O ATOM 1049 CB SER A 783 26.647 -11.186 -9.931 1.00 0.00 C ATOM 1050 OG SER A 783 26.772 -9.778 -9.840 1.00 0.00 O ATOM 0 H SER A 783 24.958 -9.888 -11.531 1.00 0.00 H new ATOM 0 HA SER A 783 25.181 -12.652 -10.498 1.00 0.00 H new ATOM 0 HB2 SER A 783 26.896 -11.641 -8.972 1.00 0.00 H new ATOM 0 HB3 SER A 783 27.357 -11.573 -10.662 1.00 0.00 H new ATOM 0 HG SER A 783 27.688 -9.547 -9.579 1.00 0.00 H new ATOM 1056 N LYS A 784 23.868 -12.220 -8.458 1.00 0.00 N ATOM 1057 CA LYS A 784 23.066 -11.990 -7.273 1.00 0.00 C ATOM 1058 C LYS A 784 23.923 -11.250 -6.253 1.00 0.00 C ATOM 1059 O LYS A 784 23.899 -10.021 -6.200 1.00 0.00 O ATOM 1060 CB LYS A 784 22.551 -13.322 -6.722 1.00 0.00 C ATOM 1061 CG LYS A 784 21.647 -14.064 -7.697 1.00 0.00 C ATOM 1062 CD LYS A 784 21.211 -15.422 -7.166 1.00 0.00 C ATOM 1063 CE LYS A 784 20.217 -15.297 -6.022 1.00 0.00 C ATOM 1064 NZ LYS A 784 19.741 -16.626 -5.553 1.00 0.00 N ATOM 0 H LYS A 784 24.100 -13.198 -8.631 1.00 0.00 H new ATOM 0 HA LYS A 784 22.193 -11.382 -7.510 1.00 0.00 H new ATOM 0 HB2 LYS A 784 23.401 -13.956 -6.469 1.00 0.00 H new ATOM 0 HB3 LYS A 784 22.004 -13.138 -5.797 1.00 0.00 H new ATOM 0 HG2 LYS A 784 20.765 -13.458 -7.904 1.00 0.00 H new ATOM 0 HG3 LYS A 784 22.171 -14.198 -8.643 1.00 0.00 H new ATOM 0 HD2 LYS A 784 20.762 -16.000 -7.974 1.00 0.00 H new ATOM 0 HD3 LYS A 784 22.086 -15.976 -6.826 1.00 0.00 H new ATOM 0 HE2 LYS A 784 20.683 -14.765 -5.193 1.00 0.00 H new ATOM 0 HE3 LYS A 784 19.365 -14.699 -6.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 784 18.730 -16.731 -5.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 784 20.280 -17.376 -6.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 784 19.879 -16.701 -4.525 1.00 0.00 H new