USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 579 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 816 LYS NZ :NH3+ -172:sc= 1.32 (180deg=0.952) USER MOD Set 1.2: A 819 SER OG : rot 180:sc= 0.328 USER MOD Set 2.1: A 801 CYS SG : rot 150:sc= -1.02 USER MOD Set 2.2: A 803 CYS SG : rot -74:sc= 0.375 USER MOD Set 2.3: A 805 ASN : amide:sc= 1.41 K(o=3.6,f=0.67) USER MOD Set 2.4: A 818 CYS SG : rot 140:sc= 2.68 USER MOD Set 2.5: A 821 CYS SG : rot -45:sc= 0.155 USER MOD Set 3.1: A 775 HIS : no HE2:sc= 1.11 K(o=2.4,f=-6.6!) USER MOD Set 3.2: A 815 LYS NZ :NH3+ -160:sc= 1.28 (180deg=0) USER MOD Set 4.1: A 768 CYS SG : rot 169:sc= -0.253 USER MOD Set 4.2: A 771 CYS SG : rot 86:sc= 0.0801 USER MOD Set 4.3: A 773 TYR OH : rot -174:sc= 0.337 USER MOD Set 4.4: A 782 CYS SG : rot -61:sc= 0.453 USER MOD Set 4.5: A 787 HIS : no HD1:sc= 0.213 K(o=0.83,f=0.085) USER MOD Set 5.1: A 767 THR OG1 : rot 180:sc= 0.692 USER MOD Set 5.2: A 774 THR OG1 : rot -78:sc= 0.774 USER MOD Set 5.3: A 792 HIS : no HE2:sc= -0.0146 X(o=1.5,f=0.96) USER MOD Set 6.1: A 763 CYS SG : rot -71:sc= 0.374 USER MOD Set 6.2: A 796 LYS NZ :NH3+ -158:sc= 0.214 (180deg=0) USER MOD Single : A 761 GLN : amide:sc= 0.802 K(o=0.8,f=0) USER MOD Single : A 762 SER OG : rot 180:sc= 0 USER MOD Single : A 769 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 770 THR OG1 : rot 180:sc= 0 USER MOD Single : A 772 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 777 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 779 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 781 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 784 SER OG : rot 180:sc= 0 USER MOD Single : A 786 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 790 HIS : no HD1:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 793 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 800 LYS NZ :NH3+ -174:sc= 0.425 (180deg=0.369) USER MOD Single : A 807 THR OG1 : rot 180:sc= 0.0681 USER MOD Single : A 809 SER OG : rot 180:sc= 0.272 USER MOD Single : A 817 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 820 THR OG1 : rot 180:sc= 0 USER MOD Single : A 825 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 112 N ARG A 759 8.064 -9.622 -1.480 1.00 0.00 N ATOM 113 CA ARG A 759 8.392 -10.981 -1.018 1.00 0.00 C ATOM 114 C ARG A 759 7.996 -12.127 -1.972 1.00 0.00 C ATOM 115 O ARG A 759 8.626 -13.188 -1.923 1.00 0.00 O ATOM 116 CB ARG A 759 7.805 -11.234 0.384 1.00 0.00 C ATOM 117 CG ARG A 759 6.266 -11.302 0.501 1.00 0.00 C ATOM 118 CD ARG A 759 5.567 -9.945 0.665 1.00 0.00 C ATOM 119 NE ARG A 759 4.200 -10.127 1.185 1.00 0.00 N ATOM 120 CZ ARG A 759 3.285 -9.184 1.368 1.00 0.00 C ATOM 121 NH1 ARG A 759 3.463 -7.939 0.983 1.00 0.00 N ATOM 122 NH2 ARG A 759 2.146 -9.505 1.946 1.00 0.00 N ATOM 0 HA ARG A 759 9.481 -11.001 -0.990 1.00 0.00 H new ATOM 0 HB2 ARG A 759 8.214 -12.172 0.758 1.00 0.00 H new ATOM 0 HB3 ARG A 759 8.160 -10.445 1.047 1.00 0.00 H new ATOM 0 HG2 ARG A 759 5.870 -11.792 -0.388 1.00 0.00 H new ATOM 0 HG3 ARG A 759 6.009 -11.931 1.353 1.00 0.00 H new ATOM 0 HD2 ARG A 759 6.140 -9.314 1.345 1.00 0.00 H new ATOM 0 HD3 ARG A 759 5.532 -9.429 -0.295 1.00 0.00 H new ATOM 0 HE ARG A 759 3.929 -11.079 1.430 1.00 0.00 H new ATOM 0 HH11 ARG A 759 4.332 -7.667 0.524 1.00 0.00 H new ATOM 0 HH12 ARG A 759 2.732 -7.246 1.144 1.00 0.00 H new ATOM 0 HH21 ARG A 759 1.979 -10.466 2.245 1.00 0.00 H new ATOM 0 HH22 ARG A 759 1.431 -8.793 2.095 1.00 0.00 H new ATOM 136 N GLU A 760 6.956 -11.946 -2.791 1.00 0.00 N ATOM 137 CA GLU A 760 6.510 -12.949 -3.766 1.00 0.00 C ATOM 138 C GLU A 760 7.584 -13.143 -4.849 1.00 0.00 C ATOM 139 O GLU A 760 8.140 -12.175 -5.376 1.00 0.00 O ATOM 140 CB GLU A 760 5.120 -12.606 -4.336 1.00 0.00 C ATOM 141 CG GLU A 760 5.037 -11.332 -5.186 1.00 0.00 C ATOM 142 CD GLU A 760 3.583 -10.872 -5.317 1.00 0.00 C ATOM 143 OE1 GLU A 760 2.721 -11.655 -5.780 1.00 0.00 O ATOM 144 OE2 GLU A 760 3.254 -9.748 -4.874 1.00 0.00 O ATOM 0 H GLU A 760 6.395 -11.094 -2.797 1.00 0.00 H new ATOM 0 HA GLU A 760 6.387 -13.907 -3.262 1.00 0.00 H new ATOM 0 HB2 GLU A 760 4.781 -13.446 -4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 760 4.422 -12.510 -3.504 1.00 0.00 H new ATOM 0 HG2 GLU A 760 5.635 -10.543 -4.730 1.00 0.00 H new ATOM 0 HG3 GLU A 760 5.457 -11.519 -6.175 1.00 0.00 H new ATOM 151 N GLN A 761 7.943 -14.397 -5.123 1.00 0.00 N ATOM 152 CA GLN A 761 9.256 -14.741 -5.690 1.00 0.00 C ATOM 153 C GLN A 761 9.172 -15.893 -6.699 1.00 0.00 C ATOM 154 O GLN A 761 8.426 -16.858 -6.511 1.00 0.00 O ATOM 155 CB GLN A 761 10.236 -15.061 -4.548 1.00 0.00 C ATOM 156 CG GLN A 761 9.808 -16.247 -3.666 1.00 0.00 C ATOM 157 CD GLN A 761 10.631 -16.344 -2.379 1.00 0.00 C ATOM 158 OE1 GLN A 761 11.437 -17.249 -2.180 1.00 0.00 O ATOM 159 NE2 GLN A 761 10.444 -15.431 -1.450 1.00 0.00 N ATOM 0 H GLN A 761 7.339 -15.203 -4.961 1.00 0.00 H new ATOM 0 HA GLN A 761 9.624 -13.880 -6.248 1.00 0.00 H new ATOM 0 HB2 GLN A 761 11.216 -15.274 -4.974 1.00 0.00 H new ATOM 0 HB3 GLN A 761 10.347 -14.177 -3.920 1.00 0.00 H new ATOM 0 HG2 GLN A 761 8.753 -16.145 -3.412 1.00 0.00 H new ATOM 0 HG3 GLN A 761 9.912 -17.173 -4.231 1.00 0.00 H new ATOM 0 HE21 GLN A 761 9.777 -14.675 -1.605 1.00 0.00 H new ATOM 0 HE22 GLN A 761 10.966 -15.479 -0.575 1.00 0.00 H new ATOM 168 N SER A 762 9.951 -15.790 -7.776 1.00 0.00 N ATOM 169 CA SER A 762 9.935 -16.736 -8.890 1.00 0.00 C ATOM 170 C SER A 762 10.432 -18.141 -8.500 1.00 0.00 C ATOM 171 O SER A 762 11.370 -18.290 -7.708 1.00 0.00 O ATOM 172 CB SER A 762 10.762 -16.196 -10.068 1.00 0.00 C ATOM 173 OG SER A 762 10.349 -14.883 -10.449 1.00 0.00 O ATOM 0 H SER A 762 10.623 -15.033 -7.900 1.00 0.00 H new ATOM 0 HA SER A 762 8.892 -16.840 -9.188 1.00 0.00 H new ATOM 0 HB2 SER A 762 11.817 -16.180 -9.794 1.00 0.00 H new ATOM 0 HB3 SER A 762 10.664 -16.869 -10.920 1.00 0.00 H new ATOM 0 HG SER A 762 10.898 -14.572 -11.199 1.00 0.00 H new ATOM 179 N CYS A 763 9.814 -19.179 -9.073 1.00 0.00 N ATOM 180 CA CYS A 763 10.053 -20.590 -8.740 1.00 0.00 C ATOM 181 C CYS A 763 9.773 -21.500 -9.945 1.00 0.00 C ATOM 182 O CYS A 763 9.073 -21.097 -10.880 1.00 0.00 O ATOM 183 CB CYS A 763 9.168 -20.920 -7.516 1.00 0.00 C ATOM 184 SG CYS A 763 9.564 -22.529 -6.780 1.00 0.00 S ATOM 0 H CYS A 763 9.112 -19.058 -9.803 1.00 0.00 H new ATOM 0 HA CYS A 763 11.099 -20.766 -8.490 1.00 0.00 H new ATOM 0 HB2 CYS A 763 9.290 -20.141 -6.764 1.00 0.00 H new ATOM 0 HB3 CYS A 763 8.120 -20.911 -7.817 1.00 0.00 H new ATOM 0 HG CYS A 763 9.175 -23.479 -7.578 1.00 0.00 H new ATOM 190 N ARG A 764 10.295 -22.731 -9.928 1.00 0.00 N ATOM 191 CA ARG A 764 9.866 -23.788 -10.854 1.00 0.00 C ATOM 192 C ARG A 764 8.540 -24.395 -10.365 1.00 0.00 C ATOM 193 O ARG A 764 8.332 -24.567 -9.162 1.00 0.00 O ATOM 194 CB ARG A 764 10.966 -24.855 -11.026 1.00 0.00 C ATOM 195 CG ARG A 764 10.820 -25.575 -12.377 1.00 0.00 C ATOM 196 CD ARG A 764 11.878 -26.664 -12.610 1.00 0.00 C ATOM 197 NE ARG A 764 11.606 -27.885 -11.832 1.00 0.00 N ATOM 198 CZ ARG A 764 12.306 -29.014 -11.876 1.00 0.00 C ATOM 199 NH1 ARG A 764 13.424 -29.114 -12.560 1.00 0.00 N ATOM 200 NH2 ARG A 764 11.878 -30.073 -11.218 1.00 0.00 N ATOM 0 H ARG A 764 11.023 -23.023 -9.276 1.00 0.00 H new ATOM 0 HA ARG A 764 9.697 -23.355 -11.840 1.00 0.00 H new ATOM 0 HB2 ARG A 764 11.948 -24.386 -10.963 1.00 0.00 H new ATOM 0 HB3 ARG A 764 10.906 -25.580 -10.214 1.00 0.00 H new ATOM 0 HG2 ARG A 764 9.829 -26.025 -12.434 1.00 0.00 H new ATOM 0 HG3 ARG A 764 10.884 -24.840 -13.180 1.00 0.00 H new ATOM 0 HD2 ARG A 764 11.913 -26.912 -13.671 1.00 0.00 H new ATOM 0 HD3 ARG A 764 12.860 -26.276 -12.341 1.00 0.00 H new ATOM 0 HE ARG A 764 10.805 -27.862 -11.200 1.00 0.00 H new ATOM 0 HH11 ARG A 764 13.779 -28.310 -13.078 1.00 0.00 H new ATOM 0 HH12 ARG A 764 13.937 -29.996 -12.573 1.00 0.00 H new ATOM 0 HH21 ARG A 764 11.014 -30.023 -10.679 1.00 0.00 H new ATOM 0 HH22 ARG A 764 12.411 -30.942 -11.248 1.00 0.00 H new ATOM 214 N VAL A 765 7.639 -24.681 -11.296 1.00 0.00 N ATOM 215 CA VAL A 765 6.245 -25.110 -11.076 1.00 0.00 C ATOM 216 C VAL A 765 5.839 -26.148 -12.126 1.00 0.00 C ATOM 217 O VAL A 765 6.580 -26.373 -13.082 1.00 0.00 O ATOM 218 CB VAL A 765 5.273 -23.908 -11.097 1.00 0.00 C ATOM 219 CG1 VAL A 765 5.531 -22.934 -9.938 1.00 0.00 C ATOM 220 CG2 VAL A 765 5.325 -23.119 -12.412 1.00 0.00 C ATOM 0 H VAL A 765 7.866 -24.619 -12.288 1.00 0.00 H new ATOM 0 HA VAL A 765 6.185 -25.565 -10.087 1.00 0.00 H new ATOM 0 HB VAL A 765 4.282 -24.350 -10.991 1.00 0.00 H new ATOM 0 HG11 VAL A 765 4.824 -22.106 -9.994 1.00 0.00 H new ATOM 0 HG12 VAL A 765 5.404 -23.456 -8.989 1.00 0.00 H new ATOM 0 HG13 VAL A 765 6.548 -22.548 -10.007 1.00 0.00 H new ATOM 0 HG21 VAL A 765 4.621 -22.288 -12.366 1.00 0.00 H new ATOM 0 HG22 VAL A 765 6.333 -22.733 -12.565 1.00 0.00 H new ATOM 0 HG23 VAL A 765 5.058 -23.775 -13.241 1.00 0.00 H new ATOM 230 N VAL A 766 4.680 -26.789 -11.963 1.00 0.00 N ATOM 231 CA VAL A 766 4.271 -27.946 -12.779 1.00 0.00 C ATOM 232 C VAL A 766 2.754 -28.053 -12.931 1.00 0.00 C ATOM 233 O VAL A 766 2.023 -27.835 -11.958 1.00 0.00 O ATOM 234 CB VAL A 766 4.870 -29.258 -12.217 1.00 0.00 C ATOM 235 CG1 VAL A 766 4.490 -29.521 -10.757 1.00 0.00 C ATOM 236 CG2 VAL A 766 4.517 -30.510 -13.035 1.00 0.00 C ATOM 0 H VAL A 766 3.992 -26.523 -11.259 1.00 0.00 H new ATOM 0 HA VAL A 766 4.673 -27.784 -13.779 1.00 0.00 H new ATOM 0 HB VAL A 766 5.944 -29.086 -12.289 1.00 0.00 H new ATOM 0 HG11 VAL A 766 4.942 -30.456 -10.426 1.00 0.00 H new ATOM 0 HG12 VAL A 766 4.851 -28.703 -10.134 1.00 0.00 H new ATOM 0 HG13 VAL A 766 3.406 -29.592 -10.670 1.00 0.00 H new ATOM 0 HG21 VAL A 766 4.975 -31.386 -12.575 1.00 0.00 H new ATOM 0 HG22 VAL A 766 3.435 -30.636 -13.058 1.00 0.00 H new ATOM 0 HG23 VAL A 766 4.891 -30.397 -14.053 1.00 0.00 H new ATOM 246 N THR A 767 2.301 -28.432 -14.132 1.00 0.00 N ATOM 247 CA THR A 767 0.908 -28.773 -14.442 1.00 0.00 C ATOM 248 C THR A 767 0.809 -30.243 -14.829 1.00 0.00 C ATOM 249 O THR A 767 1.415 -30.640 -15.822 1.00 0.00 O ATOM 250 CB THR A 767 0.383 -27.891 -15.584 1.00 0.00 C ATOM 251 OG1 THR A 767 0.435 -26.547 -15.171 1.00 0.00 O ATOM 252 CG2 THR A 767 -1.073 -28.193 -15.953 1.00 0.00 C ATOM 0 H THR A 767 2.915 -28.512 -14.942 1.00 0.00 H new ATOM 0 HA THR A 767 0.297 -28.595 -13.557 1.00 0.00 H new ATOM 0 HB THR A 767 1.008 -28.092 -16.454 1.00 0.00 H new ATOM 0 HG1 THR A 767 0.104 -25.970 -15.891 1.00 0.00 H new ATOM 0 HG21 THR A 767 -1.386 -27.538 -16.766 1.00 0.00 H new ATOM 0 HG22 THR A 767 -1.160 -29.232 -16.271 1.00 0.00 H new ATOM 0 HG23 THR A 767 -1.711 -28.025 -15.085 1.00 0.00 H new ATOM 260 N CYS A 768 0.019 -31.024 -14.086 1.00 0.00 N ATOM 261 CA CYS A 768 -0.411 -32.368 -14.477 1.00 0.00 C ATOM 262 C CYS A 768 -1.566 -32.259 -15.490 1.00 0.00 C ATOM 263 O CYS A 768 -2.581 -31.612 -15.233 1.00 0.00 O ATOM 264 CB CYS A 768 -0.804 -33.169 -13.224 1.00 0.00 C ATOM 265 SG CYS A 768 -1.260 -34.886 -13.667 1.00 0.00 S ATOM 0 H CYS A 768 -0.346 -30.733 -13.179 1.00 0.00 H new ATOM 0 HA CYS A 768 0.404 -32.904 -14.963 1.00 0.00 H new ATOM 0 HB2 CYS A 768 0.026 -33.179 -12.518 1.00 0.00 H new ATOM 0 HB3 CYS A 768 -1.642 -32.683 -12.724 1.00 0.00 H new ATOM 0 HG CYS A 768 -1.360 -35.601 -12.586 1.00 0.00 H new ATOM 270 N LYS A 769 -1.410 -32.875 -16.660 1.00 0.00 N ATOM 271 CA LYS A 769 -2.384 -32.808 -17.759 1.00 0.00 C ATOM 272 C LYS A 769 -3.557 -33.794 -17.582 1.00 0.00 C ATOM 273 O LYS A 769 -4.614 -33.595 -18.191 1.00 0.00 O ATOM 274 CB LYS A 769 -1.647 -33.046 -19.094 1.00 0.00 C ATOM 275 CG LYS A 769 -0.532 -32.034 -19.405 1.00 0.00 C ATOM 276 CD LYS A 769 -1.048 -30.589 -19.520 1.00 0.00 C ATOM 277 CE LYS A 769 0.094 -29.660 -19.957 1.00 0.00 C ATOM 278 NZ LYS A 769 -0.386 -28.282 -20.232 1.00 0.00 N ATOM 0 H LYS A 769 -0.593 -33.444 -16.879 1.00 0.00 H new ATOM 0 HA LYS A 769 -2.833 -31.815 -17.756 1.00 0.00 H new ATOM 0 HB2 LYS A 769 -1.216 -34.047 -19.081 1.00 0.00 H new ATOM 0 HB3 LYS A 769 -2.376 -33.023 -19.904 1.00 0.00 H new ATOM 0 HG2 LYS A 769 0.224 -32.083 -18.622 1.00 0.00 H new ATOM 0 HG3 LYS A 769 -0.043 -32.315 -20.338 1.00 0.00 H new ATOM 0 HD2 LYS A 769 -1.864 -30.541 -20.241 1.00 0.00 H new ATOM 0 HD3 LYS A 769 -1.450 -30.260 -18.562 1.00 0.00 H new ATOM 0 HE2 LYS A 769 0.856 -29.630 -19.178 1.00 0.00 H new ATOM 0 HE3 LYS A 769 0.568 -30.064 -20.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 769 0.415 -27.687 -20.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 769 -1.094 -28.307 -20.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 769 -0.816 -27.886 -19.372 1.00 0.00 H new ATOM 292 N THR A 770 -3.393 -34.824 -16.737 1.00 0.00 N ATOM 293 CA THR A 770 -4.433 -35.816 -16.410 1.00 0.00 C ATOM 294 C THR A 770 -5.427 -35.257 -15.390 1.00 0.00 C ATOM 295 O THR A 770 -6.636 -35.371 -15.606 1.00 0.00 O ATOM 296 CB THR A 770 -3.788 -37.115 -15.914 1.00 0.00 C ATOM 297 OG1 THR A 770 -2.920 -37.591 -16.925 1.00 0.00 O ATOM 298 CG2 THR A 770 -4.816 -38.216 -15.640 1.00 0.00 C ATOM 0 H THR A 770 -2.513 -34.995 -16.250 1.00 0.00 H new ATOM 0 HA THR A 770 -4.995 -36.041 -17.316 1.00 0.00 H new ATOM 0 HB THR A 770 -3.269 -36.889 -14.982 1.00 0.00 H new ATOM 0 HG1 THR A 770 -2.495 -38.422 -16.627 1.00 0.00 H new ATOM 0 HG21 THR A 770 -4.304 -39.113 -15.291 1.00 0.00 H new ATOM 0 HG22 THR A 770 -5.516 -37.878 -14.876 1.00 0.00 H new ATOM 0 HG23 THR A 770 -5.360 -38.442 -16.557 1.00 0.00 H new ATOM 306 N CYS A 771 -4.932 -34.640 -14.313 1.00 0.00 N ATOM 307 CA CYS A 771 -5.746 -34.101 -13.212 1.00 0.00 C ATOM 308 C CYS A 771 -6.083 -32.599 -13.374 1.00 0.00 C ATOM 309 O CYS A 771 -7.033 -32.109 -12.758 1.00 0.00 O ATOM 310 CB CYS A 771 -4.972 -34.312 -11.908 1.00 0.00 C ATOM 311 SG CYS A 771 -4.560 -36.073 -11.597 1.00 0.00 S ATOM 0 H CYS A 771 -3.931 -34.497 -14.176 1.00 0.00 H new ATOM 0 HA CYS A 771 -6.699 -34.630 -13.211 1.00 0.00 H new ATOM 0 HB2 CYS A 771 -4.051 -33.729 -11.940 1.00 0.00 H new ATOM 0 HB3 CYS A 771 -5.563 -33.930 -11.075 1.00 0.00 H new ATOM 0 HG CYS A 771 -3.449 -36.372 -12.202 1.00 0.00 H new ATOM 316 N LYS A 772 -5.308 -31.873 -14.195 1.00 0.00 N ATOM 317 CA LYS A 772 -5.578 -30.516 -14.731 1.00 0.00 C ATOM 318 C LYS A 772 -5.298 -29.373 -13.720 1.00 0.00 C ATOM 319 O LYS A 772 -5.802 -28.258 -13.879 1.00 0.00 O ATOM 320 CB LYS A 772 -6.983 -30.448 -15.376 1.00 0.00 C ATOM 321 CG LYS A 772 -7.187 -31.495 -16.495 1.00 0.00 C ATOM 322 CD LYS A 772 -8.605 -32.091 -16.459 1.00 0.00 C ATOM 323 CE LYS A 772 -8.789 -33.216 -17.487 1.00 0.00 C ATOM 324 NZ LYS A 772 -8.726 -32.732 -18.889 1.00 0.00 N ATOM 0 H LYS A 772 -4.415 -32.236 -14.528 1.00 0.00 H new ATOM 0 HA LYS A 772 -4.852 -30.338 -15.524 1.00 0.00 H new ATOM 0 HB2 LYS A 772 -7.738 -30.598 -14.604 1.00 0.00 H new ATOM 0 HB3 LYS A 772 -7.140 -29.451 -15.787 1.00 0.00 H new ATOM 0 HG2 LYS A 772 -7.011 -31.031 -17.465 1.00 0.00 H new ATOM 0 HG3 LYS A 772 -6.453 -32.293 -16.386 1.00 0.00 H new ATOM 0 HD2 LYS A 772 -8.809 -32.477 -15.460 1.00 0.00 H new ATOM 0 HD3 LYS A 772 -9.333 -31.303 -16.651 1.00 0.00 H new ATOM 0 HE2 LYS A 772 -8.018 -33.971 -17.334 1.00 0.00 H new ATOM 0 HE3 LYS A 772 -9.750 -33.702 -17.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 772 -8.856 -33.533 -19.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 772 -9.478 -32.031 -19.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 772 -7.800 -32.292 -19.063 1.00 0.00 H new ATOM 338 N TYR A 773 -4.490 -29.629 -12.683 1.00 0.00 N ATOM 339 CA TYR A 773 -4.059 -28.634 -11.680 1.00 0.00 C ATOM 340 C TYR A 773 -2.611 -28.150 -11.914 1.00 0.00 C ATOM 341 O TYR A 773 -1.804 -28.876 -12.510 1.00 0.00 O ATOM 342 CB TYR A 773 -4.224 -29.219 -10.267 1.00 0.00 C ATOM 343 CG TYR A 773 -3.194 -30.275 -9.886 1.00 0.00 C ATOM 344 CD1 TYR A 773 -1.954 -29.891 -9.338 1.00 0.00 C ATOM 345 CD2 TYR A 773 -3.478 -31.639 -10.081 1.00 0.00 C ATOM 346 CE1 TYR A 773 -0.982 -30.863 -9.015 1.00 0.00 C ATOM 347 CE2 TYR A 773 -2.525 -32.616 -9.733 1.00 0.00 C ATOM 348 CZ TYR A 773 -1.263 -32.231 -9.228 1.00 0.00 C ATOM 349 OH TYR A 773 -0.308 -33.157 -8.937 1.00 0.00 O ATOM 0 H TYR A 773 -4.105 -30.558 -12.510 1.00 0.00 H new ATOM 0 HA TYR A 773 -4.697 -27.756 -11.784 1.00 0.00 H new ATOM 0 HB2 TYR A 773 -4.173 -28.405 -9.544 1.00 0.00 H new ATOM 0 HB3 TYR A 773 -5.219 -29.656 -10.184 1.00 0.00 H new ATOM 0 HD1 TYR A 773 -1.745 -28.846 -9.164 1.00 0.00 H new ATOM 0 HD2 TYR A 773 -4.428 -31.937 -10.498 1.00 0.00 H new ATOM 0 HE1 TYR A 773 -0.028 -30.562 -8.607 1.00 0.00 H new ATOM 0 HE2 TYR A 773 -2.760 -33.663 -9.853 1.00 0.00 H new ATOM 0 HH TYR A 773 -0.610 -34.042 -9.231 1.00 0.00 H new ATOM 359 N THR A 774 -2.282 -26.963 -11.388 1.00 0.00 N ATOM 360 CA THR A 774 -0.934 -26.361 -11.399 1.00 0.00 C ATOM 361 C THR A 774 -0.473 -26.116 -9.966 1.00 0.00 C ATOM 362 O THR A 774 -1.216 -25.534 -9.177 1.00 0.00 O ATOM 363 CB THR A 774 -0.929 -25.036 -12.182 1.00 0.00 C ATOM 364 OG1 THR A 774 -1.494 -25.233 -13.460 1.00 0.00 O ATOM 365 CG2 THR A 774 0.483 -24.472 -12.365 1.00 0.00 C ATOM 0 H THR A 774 -2.970 -26.370 -10.925 1.00 0.00 H new ATOM 0 HA THR A 774 -0.250 -27.052 -11.892 1.00 0.00 H new ATOM 0 HB THR A 774 -1.513 -24.323 -11.600 1.00 0.00 H new ATOM 0 HG1 THR A 774 -0.836 -25.662 -14.046 1.00 0.00 H new ATOM 0 HG21 THR A 774 0.432 -23.537 -12.923 1.00 0.00 H new ATOM 0 HG22 THR A 774 0.930 -24.287 -11.388 1.00 0.00 H new ATOM 0 HG23 THR A 774 1.093 -25.189 -12.914 1.00 0.00 H new ATOM 373 N HIS A 775 0.752 -26.520 -9.636 1.00 0.00 N ATOM 374 CA HIS A 775 1.372 -26.397 -8.310 1.00 0.00 C ATOM 375 C HIS A 775 2.916 -26.459 -8.388 1.00 0.00 C ATOM 376 O HIS A 775 3.496 -26.498 -9.478 1.00 0.00 O ATOM 377 CB HIS A 775 0.770 -27.450 -7.351 1.00 0.00 C ATOM 378 CG HIS A 775 -0.171 -26.863 -6.326 1.00 0.00 C ATOM 379 ND1 HIS A 775 0.182 -26.229 -5.155 1.00 0.00 N ATOM 380 CD2 HIS A 775 -1.539 -26.835 -6.403 1.00 0.00 C ATOM 381 CE1 HIS A 775 -0.947 -25.820 -4.550 1.00 0.00 C ATOM 382 NE2 HIS A 775 -2.030 -26.170 -5.270 1.00 0.00 N ATOM 0 H HIS A 775 1.372 -26.963 -10.314 1.00 0.00 H new ATOM 0 HA HIS A 775 1.144 -25.412 -7.903 1.00 0.00 H new ATOM 0 HB2 HIS A 775 0.236 -28.199 -7.936 1.00 0.00 H new ATOM 0 HB3 HIS A 775 1.580 -27.966 -6.836 1.00 0.00 H new ATOM 0 HD1 HIS A 775 1.132 -26.094 -4.808 1.00 0.00 H new ATOM 0 HD2 HIS A 775 -2.136 -27.253 -7.200 1.00 0.00 H new ATOM 0 HE1 HIS A 775 -0.981 -25.283 -3.613 1.00 0.00 H new ATOM 390 N PHE A 776 3.608 -26.443 -7.238 1.00 0.00 N ATOM 391 CA PHE A 776 5.079 -26.396 -7.138 1.00 0.00 C ATOM 392 C PHE A 776 5.762 -27.713 -7.554 1.00 0.00 C ATOM 393 O PHE A 776 6.907 -27.701 -8.001 1.00 0.00 O ATOM 394 CB PHE A 776 5.474 -26.073 -5.681 1.00 0.00 C ATOM 395 CG PHE A 776 4.547 -25.127 -4.934 1.00 0.00 C ATOM 396 CD1 PHE A 776 4.529 -23.755 -5.252 1.00 0.00 C ATOM 397 CD2 PHE A 776 3.673 -25.631 -3.951 1.00 0.00 C ATOM 398 CE1 PHE A 776 3.633 -22.899 -4.592 1.00 0.00 C ATOM 399 CE2 PHE A 776 2.786 -24.769 -3.291 1.00 0.00 C ATOM 400 CZ PHE A 776 2.755 -23.405 -3.620 1.00 0.00 C ATOM 0 H PHE A 776 3.150 -26.463 -6.327 1.00 0.00 H new ATOM 0 HA PHE A 776 5.419 -25.624 -7.829 1.00 0.00 H new ATOM 0 HB2 PHE A 776 5.531 -27.009 -5.125 1.00 0.00 H new ATOM 0 HB3 PHE A 776 6.475 -25.642 -5.684 1.00 0.00 H new ATOM 0 HD1 PHE A 776 5.202 -23.363 -6.000 1.00 0.00 H new ATOM 0 HD2 PHE A 776 3.686 -26.683 -3.705 1.00 0.00 H new ATOM 0 HE1 PHE A 776 3.619 -21.846 -4.833 1.00 0.00 H new ATOM 0 HE2 PHE A 776 2.126 -25.155 -2.528 1.00 0.00 H new ATOM 0 HZ PHE A 776 2.057 -22.745 -3.126 1.00 0.00 H new ATOM 410 N LYS A 777 5.067 -28.848 -7.378 1.00 0.00 N ATOM 411 CA LYS A 777 5.555 -30.225 -7.579 1.00 0.00 C ATOM 412 C LYS A 777 4.384 -31.214 -7.827 1.00 0.00 C ATOM 413 O LYS A 777 3.263 -30.931 -7.374 1.00 0.00 O ATOM 414 CB LYS A 777 6.424 -30.639 -6.375 1.00 0.00 C ATOM 415 CG LYS A 777 5.659 -30.680 -5.042 1.00 0.00 C ATOM 416 CD LYS A 777 6.612 -31.002 -3.886 1.00 0.00 C ATOM 417 CE LYS A 777 5.849 -31.039 -2.556 1.00 0.00 C ATOM 418 NZ LYS A 777 6.747 -31.376 -1.426 1.00 0.00 N ATOM 0 H LYS A 777 4.093 -28.830 -7.074 1.00 0.00 H new ATOM 0 HA LYS A 777 6.173 -30.258 -8.477 1.00 0.00 H new ATOM 0 HB2 LYS A 777 6.851 -31.623 -6.568 1.00 0.00 H new ATOM 0 HB3 LYS A 777 7.257 -29.942 -6.284 1.00 0.00 H new ATOM 0 HG2 LYS A 777 5.174 -29.720 -4.865 1.00 0.00 H new ATOM 0 HG3 LYS A 777 4.871 -31.431 -5.091 1.00 0.00 H new ATOM 0 HD2 LYS A 777 7.095 -31.963 -4.062 1.00 0.00 H new ATOM 0 HD3 LYS A 777 7.402 -30.252 -3.838 1.00 0.00 H new ATOM 0 HE2 LYS A 777 5.382 -30.071 -2.376 1.00 0.00 H new ATOM 0 HE3 LYS A 777 5.046 -31.774 -2.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 777 6.200 -31.393 -0.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 777 7.173 -32.311 -1.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 777 7.499 -30.661 -1.355 1.00 0.00 H new ATOM 432 N PRO A 778 4.601 -32.355 -8.520 1.00 0.00 N ATOM 433 CA PRO A 778 3.577 -33.378 -8.698 1.00 0.00 C ATOM 434 C PRO A 778 3.391 -34.162 -7.392 1.00 0.00 C ATOM 435 O PRO A 778 4.301 -34.245 -6.565 1.00 0.00 O ATOM 436 CB PRO A 778 4.089 -34.265 -9.837 1.00 0.00 C ATOM 437 CG PRO A 778 5.603 -34.214 -9.650 1.00 0.00 C ATOM 438 CD PRO A 778 5.846 -32.793 -9.152 1.00 0.00 C ATOM 0 HA PRO A 778 2.599 -32.963 -8.943 1.00 0.00 H new ATOM 0 HB2 PRO A 778 3.706 -35.283 -9.761 1.00 0.00 H new ATOM 0 HB3 PRO A 778 3.789 -33.884 -10.813 1.00 0.00 H new ATOM 0 HG2 PRO A 778 5.945 -34.957 -8.929 1.00 0.00 H new ATOM 0 HG3 PRO A 778 6.131 -34.409 -10.584 1.00 0.00 H new ATOM 0 HD2 PRO A 778 6.672 -32.767 -8.441 1.00 0.00 H new ATOM 0 HD3 PRO A 778 6.115 -32.134 -9.977 1.00 0.00 H new ATOM 446 N LYS A 779 2.203 -34.748 -7.214 1.00 0.00 N ATOM 447 CA LYS A 779 1.914 -35.627 -6.072 1.00 0.00 C ATOM 448 C LYS A 779 2.647 -36.977 -6.172 1.00 0.00 C ATOM 449 O LYS A 779 2.993 -37.447 -7.263 1.00 0.00 O ATOM 450 CB LYS A 779 0.396 -35.828 -5.955 1.00 0.00 C ATOM 451 CG LYS A 779 -0.330 -34.549 -5.514 1.00 0.00 C ATOM 452 CD LYS A 779 -1.845 -34.764 -5.364 1.00 0.00 C ATOM 453 CE LYS A 779 -2.521 -35.080 -6.702 1.00 0.00 C ATOM 454 NZ LYS A 779 -3.985 -35.261 -6.549 1.00 0.00 N ATOM 0 H LYS A 779 1.417 -34.629 -7.853 1.00 0.00 H new ATOM 0 HA LYS A 779 2.286 -35.144 -5.169 1.00 0.00 H new ATOM 0 HB2 LYS A 779 0.000 -36.154 -6.917 1.00 0.00 H new ATOM 0 HB3 LYS A 779 0.191 -36.624 -5.239 1.00 0.00 H new ATOM 0 HG2 LYS A 779 0.083 -34.208 -4.565 1.00 0.00 H new ATOM 0 HG3 LYS A 779 -0.147 -33.760 -6.243 1.00 0.00 H new ATOM 0 HD2 LYS A 779 -2.027 -35.581 -4.665 1.00 0.00 H new ATOM 0 HD3 LYS A 779 -2.296 -33.870 -4.933 1.00 0.00 H new ATOM 0 HE2 LYS A 779 -2.326 -34.272 -7.408 1.00 0.00 H new ATOM 0 HE3 LYS A 779 -2.085 -35.985 -7.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 779 -4.407 -35.473 -7.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 779 -4.171 -36.048 -5.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 779 -4.405 -34.389 -6.169 1.00 0.00 H new ATOM 468 N GLU A 780 2.809 -37.661 -5.037 1.00 0.00 N ATOM 469 CA GLU A 780 3.393 -39.007 -4.994 1.00 0.00 C ATOM 470 C GLU A 780 2.551 -40.013 -5.794 1.00 0.00 C ATOM 471 O GLU A 780 3.111 -40.884 -6.464 1.00 0.00 O ATOM 472 CB GLU A 780 3.544 -39.482 -3.537 1.00 0.00 C ATOM 473 CG GLU A 780 4.472 -38.622 -2.668 1.00 0.00 C ATOM 474 CD GLU A 780 5.929 -38.649 -3.155 1.00 0.00 C ATOM 475 OE1 GLU A 780 6.664 -39.610 -2.823 1.00 0.00 O ATOM 476 OE2 GLU A 780 6.353 -37.695 -3.850 1.00 0.00 O ATOM 0 H GLU A 780 2.540 -37.299 -4.122 1.00 0.00 H new ATOM 0 HA GLU A 780 4.379 -38.953 -5.455 1.00 0.00 H new ATOM 0 HB2 GLU A 780 2.557 -39.507 -3.074 1.00 0.00 H new ATOM 0 HB3 GLU A 780 3.920 -40.505 -3.541 1.00 0.00 H new ATOM 0 HG2 GLU A 780 4.112 -37.593 -2.666 1.00 0.00 H new ATOM 0 HG3 GLU A 780 4.430 -38.976 -1.638 1.00 0.00 H new ATOM 483 N THR A 781 1.224 -39.840 -5.809 1.00 0.00 N ATOM 484 CA THR A 781 0.288 -40.597 -6.657 1.00 0.00 C ATOM 485 C THR A 781 0.498 -40.305 -8.139 1.00 0.00 C ATOM 486 O THR A 781 0.531 -41.249 -8.921 1.00 0.00 O ATOM 487 CB THR A 781 -1.159 -40.298 -6.259 1.00 0.00 C ATOM 488 OG1 THR A 781 -1.334 -38.907 -6.077 1.00 0.00 O ATOM 489 CG2 THR A 781 -1.528 -40.999 -4.950 1.00 0.00 C ATOM 0 H THR A 781 0.757 -39.153 -5.218 1.00 0.00 H new ATOM 0 HA THR A 781 0.490 -41.656 -6.497 1.00 0.00 H new ATOM 0 HB THR A 781 -1.801 -40.663 -7.060 1.00 0.00 H new ATOM 0 HG1 THR A 781 -2.263 -38.724 -5.824 1.00 0.00 H new ATOM 0 HG21 THR A 781 -2.562 -40.768 -4.692 1.00 0.00 H new ATOM 0 HG22 THR A 781 -1.416 -42.077 -5.070 1.00 0.00 H new ATOM 0 HG23 THR A 781 -0.870 -40.652 -4.153 1.00 0.00 H new ATOM 497 N CYS A 782 0.711 -39.044 -8.526 1.00 0.00 N ATOM 498 CA CYS A 782 0.984 -38.640 -9.908 1.00 0.00 C ATOM 499 C CYS A 782 2.321 -39.214 -10.411 1.00 0.00 C ATOM 500 O CYS A 782 2.399 -39.696 -11.542 1.00 0.00 O ATOM 501 CB CYS A 782 0.960 -37.102 -9.987 1.00 0.00 C ATOM 502 SG CYS A 782 -0.730 -36.493 -9.710 1.00 0.00 S ATOM 0 H CYS A 782 0.698 -38.260 -7.874 1.00 0.00 H new ATOM 0 HA CYS A 782 0.212 -39.045 -10.562 1.00 0.00 H new ATOM 0 HB2 CYS A 782 1.634 -36.681 -9.241 1.00 0.00 H new ATOM 0 HB3 CYS A 782 1.319 -36.774 -10.963 1.00 0.00 H new ATOM 0 HG CYS A 782 -1.518 -36.968 -10.628 1.00 0.00 H new ATOM 507 N VAL A 783 3.357 -39.206 -9.568 1.00 0.00 N ATOM 508 CA VAL A 783 4.667 -39.812 -9.872 1.00 0.00 C ATOM 509 C VAL A 783 4.559 -41.347 -9.960 1.00 0.00 C ATOM 510 O VAL A 783 5.079 -41.939 -10.908 1.00 0.00 O ATOM 511 CB VAL A 783 5.735 -39.385 -8.838 1.00 0.00 C ATOM 512 CG1 VAL A 783 7.085 -40.101 -9.045 1.00 0.00 C ATOM 513 CG2 VAL A 783 5.989 -37.867 -8.917 1.00 0.00 C ATOM 0 H VAL A 783 3.315 -38.775 -8.644 1.00 0.00 H new ATOM 0 HA VAL A 783 4.986 -39.444 -10.847 1.00 0.00 H new ATOM 0 HB VAL A 783 5.336 -39.664 -7.863 1.00 0.00 H new ATOM 0 HG11 VAL A 783 7.796 -39.762 -8.291 1.00 0.00 H new ATOM 0 HG12 VAL A 783 6.944 -41.178 -8.953 1.00 0.00 H new ATOM 0 HG13 VAL A 783 7.471 -39.870 -10.038 1.00 0.00 H new ATOM 0 HG21 VAL A 783 6.743 -37.586 -8.182 1.00 0.00 H new ATOM 0 HG22 VAL A 783 6.341 -37.609 -9.916 1.00 0.00 H new ATOM 0 HG23 VAL A 783 5.062 -37.332 -8.709 1.00 0.00 H new ATOM 523 N SER A 784 3.875 -42.004 -9.013 1.00 0.00 N ATOM 524 CA SER A 784 3.758 -43.471 -8.951 1.00 0.00 C ATOM 525 C SER A 784 2.871 -44.058 -10.070 1.00 0.00 C ATOM 526 O SER A 784 3.263 -45.032 -10.726 1.00 0.00 O ATOM 527 CB SER A 784 3.232 -43.879 -7.565 1.00 0.00 C ATOM 528 OG SER A 784 3.267 -45.284 -7.384 1.00 0.00 O ATOM 0 H SER A 784 3.381 -41.528 -8.259 1.00 0.00 H new ATOM 0 HA SER A 784 4.753 -43.887 -9.111 1.00 0.00 H new ATOM 0 HB2 SER A 784 3.831 -43.397 -6.792 1.00 0.00 H new ATOM 0 HB3 SER A 784 2.209 -43.522 -7.444 1.00 0.00 H new ATOM 0 HG SER A 784 2.927 -45.508 -6.492 1.00 0.00 H new ATOM 534 N GLU A 785 1.711 -43.447 -10.349 1.00 0.00 N ATOM 535 CA GLU A 785 0.817 -43.830 -11.452 1.00 0.00 C ATOM 536 C GLU A 785 1.276 -43.271 -12.817 1.00 0.00 C ATOM 537 O GLU A 785 0.698 -43.603 -13.856 1.00 0.00 O ATOM 538 CB GLU A 785 -0.627 -43.390 -11.148 1.00 0.00 C ATOM 539 CG GLU A 785 -1.233 -44.036 -9.892 1.00 0.00 C ATOM 540 CD GLU A 785 -1.400 -45.556 -10.042 1.00 0.00 C ATOM 541 OE1 GLU A 785 -2.307 -46.004 -10.789 1.00 0.00 O ATOM 542 OE2 GLU A 785 -0.641 -46.328 -9.413 1.00 0.00 O ATOM 0 H GLU A 785 1.361 -42.658 -9.805 1.00 0.00 H new ATOM 0 HA GLU A 785 0.856 -44.917 -11.528 1.00 0.00 H new ATOM 0 HB2 GLU A 785 -0.647 -42.306 -11.031 1.00 0.00 H new ATOM 0 HB3 GLU A 785 -1.256 -43.630 -12.005 1.00 0.00 H new ATOM 0 HG2 GLU A 785 -0.595 -43.826 -9.034 1.00 0.00 H new ATOM 0 HG3 GLU A 785 -2.203 -43.584 -9.686 1.00 0.00 H new ATOM 549 N ASN A 786 2.325 -42.443 -12.824 1.00 0.00 N ATOM 550 CA ASN A 786 3.084 -42.027 -14.008 1.00 0.00 C ATOM 551 C ASN A 786 2.291 -41.088 -14.949 1.00 0.00 C ATOM 552 O ASN A 786 2.308 -41.242 -16.173 1.00 0.00 O ATOM 553 CB ASN A 786 3.696 -43.263 -14.700 1.00 0.00 C ATOM 554 CG ASN A 786 5.011 -42.938 -15.397 1.00 0.00 C ATOM 555 OD1 ASN A 786 5.097 -42.829 -16.617 1.00 0.00 O ATOM 556 ND2 ASN A 786 6.070 -42.765 -14.623 1.00 0.00 N ATOM 0 H ASN A 786 2.685 -42.025 -11.966 1.00 0.00 H new ATOM 0 HA ASN A 786 3.914 -41.400 -13.682 1.00 0.00 H new ATOM 0 HB2 ASN A 786 3.862 -44.046 -13.961 1.00 0.00 H new ATOM 0 HB3 ASN A 786 2.988 -43.657 -15.429 1.00 0.00 H new ATOM 0 HD21 ASN A 786 6.974 -42.538 -15.038 1.00 0.00 H new ATOM 0 HD22 ASN A 786 5.983 -42.859 -13.611 1.00 0.00 H new ATOM 563 N HIS A 787 1.565 -40.125 -14.364 1.00 0.00 N ATOM 564 CA HIS A 787 0.818 -39.092 -15.087 1.00 0.00 C ATOM 565 C HIS A 787 1.763 -38.227 -15.943 1.00 0.00 C ATOM 566 O HIS A 787 2.942 -38.063 -15.630 1.00 0.00 O ATOM 567 CB HIS A 787 0.019 -38.211 -14.107 1.00 0.00 C ATOM 568 CG HIS A 787 -1.121 -38.887 -13.363 1.00 0.00 C ATOM 569 ND1 HIS A 787 -2.018 -38.276 -12.482 1.00 0.00 N ATOM 570 CD2 HIS A 787 -1.476 -40.207 -13.474 1.00 0.00 C ATOM 571 CE1 HIS A 787 -2.884 -39.234 -12.082 1.00 0.00 C ATOM 572 NE2 HIS A 787 -2.577 -40.402 -12.672 1.00 0.00 N ATOM 0 H HIS A 787 1.480 -40.043 -13.351 1.00 0.00 H new ATOM 0 HA HIS A 787 0.115 -39.590 -15.754 1.00 0.00 H new ATOM 0 HB2 HIS A 787 0.712 -37.804 -13.371 1.00 0.00 H new ATOM 0 HB3 HIS A 787 -0.389 -37.367 -14.662 1.00 0.00 H new ATOM 0 HD2 HIS A 787 -0.983 -40.954 -14.078 1.00 0.00 H new ATOM 0 HE1 HIS A 787 -3.701 -39.083 -11.391 1.00 0.00 H new ATOM 0 HE2 HIS A 787 -3.075 -41.283 -12.547 1.00 0.00 H new ATOM 580 N ASP A 788 1.233 -37.664 -17.031 1.00 0.00 N ATOM 581 CA ASP A 788 1.955 -36.723 -17.886 1.00 0.00 C ATOM 582 C ASP A 788 1.848 -35.302 -17.312 1.00 0.00 C ATOM 583 O ASP A 788 0.749 -34.757 -17.217 1.00 0.00 O ATOM 584 CB ASP A 788 1.405 -36.775 -19.314 1.00 0.00 C ATOM 585 CG ASP A 788 1.718 -38.113 -20.007 1.00 0.00 C ATOM 586 OD1 ASP A 788 2.897 -38.328 -20.387 1.00 0.00 O ATOM 587 OD2 ASP A 788 0.781 -38.926 -20.202 1.00 0.00 O ATOM 0 H ASP A 788 0.281 -37.851 -17.345 1.00 0.00 H new ATOM 0 HA ASP A 788 3.007 -37.005 -17.915 1.00 0.00 H new ATOM 0 HB2 ASP A 788 0.326 -36.622 -19.292 1.00 0.00 H new ATOM 0 HB3 ASP A 788 1.831 -35.958 -19.896 1.00 0.00 H new ATOM 592 N PHE A 789 2.991 -34.703 -16.957 1.00 0.00 N ATOM 593 CA PHE A 789 3.081 -33.321 -16.484 1.00 0.00 C ATOM 594 C PHE A 789 4.082 -32.489 -17.290 1.00 0.00 C ATOM 595 O PHE A 789 5.076 -32.996 -17.812 1.00 0.00 O ATOM 596 CB PHE A 789 3.408 -33.236 -14.972 1.00 0.00 C ATOM 597 CG PHE A 789 3.936 -34.473 -14.267 1.00 0.00 C ATOM 598 CD1 PHE A 789 5.324 -34.717 -14.195 1.00 0.00 C ATOM 599 CD2 PHE A 789 3.040 -35.334 -13.618 1.00 0.00 C ATOM 600 CE1 PHE A 789 5.808 -35.821 -13.474 1.00 0.00 C ATOM 601 CE2 PHE A 789 3.523 -36.435 -12.892 1.00 0.00 C ATOM 602 CZ PHE A 789 4.906 -36.685 -12.826 1.00 0.00 C ATOM 0 H PHE A 789 3.894 -35.176 -16.992 1.00 0.00 H new ATOM 0 HA PHE A 789 2.090 -32.894 -16.640 1.00 0.00 H new ATOM 0 HB2 PHE A 789 4.141 -32.441 -14.837 1.00 0.00 H new ATOM 0 HB3 PHE A 789 2.501 -32.924 -14.455 1.00 0.00 H new ATOM 0 HD1 PHE A 789 6.015 -34.054 -14.695 1.00 0.00 H new ATOM 0 HD2 PHE A 789 1.977 -35.150 -13.676 1.00 0.00 H new ATOM 0 HE1 PHE A 789 6.870 -36.006 -13.417 1.00 0.00 H new ATOM 0 HE2 PHE A 789 2.832 -37.091 -12.384 1.00 0.00 H new ATOM 0 HZ PHE A 789 5.275 -37.540 -12.278 1.00 0.00 H new ATOM 612 N HIS A 790 3.821 -31.186 -17.351 1.00 0.00 N ATOM 613 CA HIS A 790 4.701 -30.183 -17.952 1.00 0.00 C ATOM 614 C HIS A 790 5.247 -29.246 -16.859 1.00 0.00 C ATOM 615 O HIS A 790 4.480 -28.537 -16.198 1.00 0.00 O ATOM 616 CB HIS A 790 3.916 -29.372 -19.004 1.00 0.00 C ATOM 617 CG HIS A 790 3.620 -30.103 -20.291 1.00 0.00 C ATOM 618 ND1 HIS A 790 3.860 -29.631 -21.564 1.00 0.00 N ATOM 619 CD2 HIS A 790 3.026 -31.332 -20.433 1.00 0.00 C ATOM 620 CE1 HIS A 790 3.435 -30.552 -22.447 1.00 0.00 C ATOM 621 NE2 HIS A 790 2.917 -31.614 -21.802 1.00 0.00 N ATOM 0 H HIS A 790 2.964 -30.784 -16.972 1.00 0.00 H new ATOM 0 HA HIS A 790 5.539 -30.681 -18.439 1.00 0.00 H new ATOM 0 HB2 HIS A 790 2.973 -29.051 -18.562 1.00 0.00 H new ATOM 0 HB3 HIS A 790 4.481 -28.470 -19.239 1.00 0.00 H new ATOM 0 HD2 HIS A 790 2.698 -31.973 -19.628 1.00 0.00 H new ATOM 0 HE1 HIS A 790 3.500 -30.454 -23.521 1.00 0.00 H new ATOM 0 HE2 HIS A 790 2.524 -32.455 -22.225 1.00 0.00 H new ATOM 629 N TRP A 791 6.573 -29.223 -16.692 1.00 0.00 N ATOM 630 CA TRP A 791 7.278 -28.276 -15.823 1.00 0.00 C ATOM 631 C TRP A 791 7.514 -26.930 -16.538 1.00 0.00 C ATOM 632 O TRP A 791 7.741 -26.888 -17.752 1.00 0.00 O ATOM 633 CB TRP A 791 8.614 -28.878 -15.356 1.00 0.00 C ATOM 634 CG TRP A 791 8.524 -30.017 -14.383 1.00 0.00 C ATOM 635 CD1 TRP A 791 8.448 -31.323 -14.711 1.00 0.00 C ATOM 636 CD2 TRP A 791 8.540 -29.974 -12.921 1.00 0.00 C ATOM 637 NE1 TRP A 791 8.435 -32.097 -13.562 1.00 0.00 N ATOM 638 CE2 TRP A 791 8.514 -31.317 -12.429 1.00 0.00 C ATOM 639 CE3 TRP A 791 8.587 -28.938 -11.962 1.00 0.00 C ATOM 640 CZ2 TRP A 791 8.557 -31.609 -11.056 1.00 0.00 C ATOM 641 CZ3 TRP A 791 8.616 -29.221 -10.584 1.00 0.00 C ATOM 642 CH2 TRP A 791 8.613 -30.552 -10.129 1.00 0.00 C ATOM 0 H TRP A 791 7.198 -29.875 -17.166 1.00 0.00 H new ATOM 0 HA TRP A 791 6.652 -28.085 -14.951 1.00 0.00 H new ATOM 0 HB2 TRP A 791 9.161 -29.220 -16.234 1.00 0.00 H new ATOM 0 HB3 TRP A 791 9.207 -28.085 -14.901 1.00 0.00 H new ATOM 0 HD1 TRP A 791 8.404 -31.708 -15.719 1.00 0.00 H new ATOM 0 HE1 TRP A 791 8.375 -33.115 -13.556 1.00 0.00 H new ATOM 0 HE3 TRP A 791 8.601 -27.910 -12.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 791 8.547 -32.634 -10.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 791 8.641 -28.411 -9.871 1.00 0.00 H new ATOM 0 HH2 TRP A 791 8.654 -30.762 -9.070 1.00 0.00 H new ATOM 653 N HIS A 792 7.515 -25.834 -15.778 1.00 0.00 N ATOM 654 CA HIS A 792 7.777 -24.463 -16.239 1.00 0.00 C ATOM 655 C HIS A 792 8.114 -23.542 -15.048 1.00 0.00 C ATOM 656 O HIS A 792 8.190 -24.001 -13.906 1.00 0.00 O ATOM 657 CB HIS A 792 6.578 -23.951 -17.067 1.00 0.00 C ATOM 658 CG HIS A 792 5.290 -23.750 -16.297 1.00 0.00 C ATOM 659 ND1 HIS A 792 4.749 -22.537 -15.918 1.00 0.00 N ATOM 660 CD2 HIS A 792 4.401 -24.720 -15.908 1.00 0.00 C ATOM 661 CE1 HIS A 792 3.558 -22.773 -15.339 1.00 0.00 C ATOM 662 NE2 HIS A 792 3.296 -24.094 -15.311 1.00 0.00 N ATOM 0 H HIS A 792 7.325 -25.876 -14.777 1.00 0.00 H new ATOM 0 HA HIS A 792 8.650 -24.458 -16.891 1.00 0.00 H new ATOM 0 HB2 HIS A 792 6.856 -23.003 -17.528 1.00 0.00 H new ATOM 0 HB3 HIS A 792 6.390 -24.657 -17.876 1.00 0.00 H new ATOM 0 HD1 HIS A 792 5.178 -21.622 -16.054 1.00 0.00 H new ATOM 0 HD2 HIS A 792 4.530 -25.784 -16.039 1.00 0.00 H new ATOM 0 HE1 HIS A 792 2.902 -22.008 -14.950 1.00 0.00 H new ATOM 670 N ASN A 793 8.308 -22.237 -15.287 1.00 0.00 N ATOM 671 CA ASN A 793 8.508 -21.231 -14.241 1.00 0.00 C ATOM 672 C ASN A 793 7.225 -20.435 -13.933 1.00 0.00 C ATOM 673 O ASN A 793 6.386 -20.203 -14.807 1.00 0.00 O ATOM 674 CB ASN A 793 9.668 -20.303 -14.624 1.00 0.00 C ATOM 675 CG ASN A 793 11.014 -21.014 -14.568 1.00 0.00 C ATOM 676 OD1 ASN A 793 11.639 -21.285 -15.586 1.00 0.00 O ATOM 677 ND2 ASN A 793 11.497 -21.346 -13.380 1.00 0.00 N ATOM 0 H ASN A 793 8.330 -21.847 -16.229 1.00 0.00 H new ATOM 0 HA ASN A 793 8.765 -21.755 -13.320 1.00 0.00 H new ATOM 0 HB2 ASN A 793 9.505 -19.916 -15.630 1.00 0.00 H new ATOM 0 HB3 ASN A 793 9.683 -19.446 -13.951 1.00 0.00 H new ATOM 0 HD21 ASN A 793 12.393 -21.829 -13.310 1.00 0.00 H new ATOM 0 HD22 ASN A 793 10.973 -21.118 -12.535 1.00 0.00 H new ATOM 684 N GLY A 794 7.087 -20.017 -12.668 1.00 0.00 N ATOM 685 CA GLY A 794 5.970 -19.241 -12.111 1.00 0.00 C ATOM 686 C GLY A 794 6.403 -18.414 -10.897 1.00 0.00 C ATOM 687 O GLY A 794 7.589 -18.115 -10.750 1.00 0.00 O ATOM 0 H GLY A 794 7.795 -20.224 -11.963 1.00 0.00 H new ATOM 0 HA2 GLY A 794 5.569 -18.578 -12.878 1.00 0.00 H new ATOM 0 HA3 GLY A 794 5.166 -19.917 -11.822 1.00 0.00 H new ATOM 691 N VAL A 795 5.456 -18.054 -10.027 1.00 0.00 N ATOM 692 CA VAL A 795 5.678 -17.231 -8.822 1.00 0.00 C ATOM 693 C VAL A 795 4.689 -17.588 -7.708 1.00 0.00 C ATOM 694 O VAL A 795 3.520 -17.867 -7.972 1.00 0.00 O ATOM 695 CB VAL A 795 5.641 -15.712 -9.142 1.00 0.00 C ATOM 696 CG1 VAL A 795 4.345 -15.279 -9.845 1.00 0.00 C ATOM 697 CG2 VAL A 795 5.838 -14.834 -7.893 1.00 0.00 C ATOM 0 H VAL A 795 4.481 -18.333 -10.140 1.00 0.00 H new ATOM 0 HA VAL A 795 6.681 -17.460 -8.461 1.00 0.00 H new ATOM 0 HB VAL A 795 6.480 -15.559 -9.821 1.00 0.00 H new ATOM 0 HG11 VAL A 795 4.379 -14.208 -10.042 1.00 0.00 H new ATOM 0 HG12 VAL A 795 4.244 -15.818 -10.787 1.00 0.00 H new ATOM 0 HG13 VAL A 795 3.492 -15.504 -9.205 1.00 0.00 H new ATOM 0 HG21 VAL A 795 5.803 -13.783 -8.178 1.00 0.00 H new ATOM 0 HG22 VAL A 795 5.046 -15.042 -7.174 1.00 0.00 H new ATOM 0 HG23 VAL A 795 6.805 -15.055 -7.442 1.00 0.00 H new ATOM 707 N LYS A 796 5.174 -17.586 -6.461 1.00 0.00 N ATOM 708 CA LYS A 796 4.441 -18.008 -5.263 1.00 0.00 C ATOM 709 C LYS A 796 4.315 -16.903 -4.196 1.00 0.00 C ATOM 710 O LYS A 796 5.147 -15.994 -4.120 1.00 0.00 O ATOM 711 CB LYS A 796 5.133 -19.272 -4.721 1.00 0.00 C ATOM 712 CG LYS A 796 6.483 -18.959 -4.042 1.00 0.00 C ATOM 713 CD LYS A 796 7.483 -20.108 -4.150 1.00 0.00 C ATOM 714 CE LYS A 796 6.996 -21.381 -3.439 1.00 0.00 C ATOM 715 NZ LYS A 796 7.975 -22.490 -3.552 1.00 0.00 N ATOM 0 H LYS A 796 6.124 -17.279 -6.251 1.00 0.00 H new ATOM 0 HA LYS A 796 3.408 -18.227 -5.534 1.00 0.00 H new ATOM 0 HB2 LYS A 796 4.475 -19.764 -4.005 1.00 0.00 H new ATOM 0 HB3 LYS A 796 5.295 -19.973 -5.540 1.00 0.00 H new ATOM 0 HG2 LYS A 796 6.913 -18.066 -4.495 1.00 0.00 H new ATOM 0 HG3 LYS A 796 6.311 -18.732 -2.990 1.00 0.00 H new ATOM 0 HD2 LYS A 796 7.664 -20.330 -5.202 1.00 0.00 H new ATOM 0 HD3 LYS A 796 8.436 -19.798 -3.721 1.00 0.00 H new ATOM 0 HE2 LYS A 796 6.816 -21.162 -2.386 1.00 0.00 H new ATOM 0 HE3 LYS A 796 6.043 -21.693 -3.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 796 7.489 -23.398 -3.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 796 8.408 -22.476 -4.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 796 8.715 -22.375 -2.830 1.00 0.00 H new ATOM 729 N ARG A 797 3.279 -17.004 -3.359 1.00 0.00 N ATOM 730 CA ARG A 797 2.950 -16.104 -2.239 1.00 0.00 C ATOM 731 C ARG A 797 2.631 -16.909 -0.964 1.00 0.00 C ATOM 732 O ARG A 797 2.237 -18.078 -1.039 1.00 0.00 O ATOM 733 CB ARG A 797 1.789 -15.133 -2.569 1.00 0.00 C ATOM 734 CG ARG A 797 0.984 -15.370 -3.864 1.00 0.00 C ATOM 735 CD ARG A 797 1.649 -14.745 -5.095 1.00 0.00 C ATOM 736 NE ARG A 797 1.037 -15.212 -6.356 1.00 0.00 N ATOM 737 CZ ARG A 797 1.056 -14.570 -7.519 1.00 0.00 C ATOM 738 NH1 ARG A 797 1.578 -13.371 -7.663 1.00 0.00 N ATOM 739 NH2 ARG A 797 0.534 -15.138 -8.578 1.00 0.00 N ATOM 0 H ARG A 797 2.602 -17.762 -3.447 1.00 0.00 H new ATOM 0 HA ARG A 797 3.835 -15.493 -2.063 1.00 0.00 H new ATOM 0 HB2 ARG A 797 1.089 -15.155 -1.734 1.00 0.00 H new ATOM 0 HB3 ARG A 797 2.201 -14.125 -2.613 1.00 0.00 H new ATOM 0 HG2 ARG A 797 0.867 -16.442 -4.024 1.00 0.00 H new ATOM 0 HG3 ARG A 797 -0.017 -14.955 -3.746 1.00 0.00 H new ATOM 0 HD2 ARG A 797 1.572 -13.659 -5.036 1.00 0.00 H new ATOM 0 HD3 ARG A 797 2.711 -14.990 -5.096 1.00 0.00 H new ATOM 0 HE ARG A 797 0.555 -16.111 -6.331 1.00 0.00 H new ATOM 0 HH11 ARG A 797 1.991 -12.895 -6.861 1.00 0.00 H new ATOM 0 HH12 ARG A 797 1.569 -12.917 -8.577 1.00 0.00 H new ATOM 0 HH21 ARG A 797 0.117 -16.066 -8.506 1.00 0.00 H new ATOM 0 HH22 ARG A 797 0.544 -14.652 -9.475 1.00 0.00 H new ATOM 753 N PHE A 798 2.814 -16.278 0.199 1.00 0.00 N ATOM 754 CA PHE A 798 2.834 -16.914 1.524 1.00 0.00 C ATOM 755 C PHE A 798 1.690 -16.401 2.411 1.00 0.00 C ATOM 756 O PHE A 798 1.430 -15.197 2.441 1.00 0.00 O ATOM 757 CB PHE A 798 4.199 -16.628 2.179 1.00 0.00 C ATOM 758 CG PHE A 798 5.370 -16.861 1.238 1.00 0.00 C ATOM 759 CD1 PHE A 798 5.650 -18.164 0.787 1.00 0.00 C ATOM 760 CD2 PHE A 798 6.110 -15.773 0.726 1.00 0.00 C ATOM 761 CE1 PHE A 798 6.661 -18.390 -0.164 1.00 0.00 C ATOM 762 CE2 PHE A 798 7.120 -16.000 -0.225 1.00 0.00 C ATOM 763 CZ PHE A 798 7.395 -17.305 -0.672 1.00 0.00 C ATOM 0 H PHE A 798 2.958 -15.269 0.248 1.00 0.00 H new ATOM 0 HA PHE A 798 2.690 -17.988 1.410 1.00 0.00 H new ATOM 0 HB2 PHE A 798 4.220 -15.595 2.527 1.00 0.00 H new ATOM 0 HB3 PHE A 798 4.314 -17.263 3.058 1.00 0.00 H new ATOM 0 HD1 PHE A 798 5.084 -18.998 1.175 1.00 0.00 H new ATOM 0 HD2 PHE A 798 5.901 -14.769 1.064 1.00 0.00 H new ATOM 0 HE1 PHE A 798 6.872 -19.394 -0.503 1.00 0.00 H new ATOM 0 HE2 PHE A 798 7.688 -15.168 -0.614 1.00 0.00 H new ATOM 0 HZ PHE A 798 8.170 -17.473 -1.405 1.00 0.00 H new ATOM 773 N PHE A 799 1.028 -17.302 3.148 1.00 0.00 N ATOM 774 CA PHE A 799 -0.207 -17.011 3.889 1.00 0.00 C ATOM 775 C PHE A 799 -0.200 -17.595 5.306 1.00 0.00 C ATOM 776 O PHE A 799 0.402 -18.637 5.575 1.00 0.00 O ATOM 777 CB PHE A 799 -1.424 -17.545 3.114 1.00 0.00 C ATOM 778 CG PHE A 799 -1.544 -17.040 1.691 1.00 0.00 C ATOM 779 CD1 PHE A 799 -0.852 -17.690 0.650 1.00 0.00 C ATOM 780 CD2 PHE A 799 -2.308 -15.893 1.406 1.00 0.00 C ATOM 781 CE1 PHE A 799 -0.909 -17.183 -0.662 1.00 0.00 C ATOM 782 CE2 PHE A 799 -2.369 -15.395 0.091 1.00 0.00 C ATOM 783 CZ PHE A 799 -1.670 -16.037 -0.942 1.00 0.00 C ATOM 0 H PHE A 799 1.340 -18.268 3.248 1.00 0.00 H new ATOM 0 HA PHE A 799 -0.270 -15.927 3.987 1.00 0.00 H new ATOM 0 HB2 PHE A 799 -1.375 -18.634 3.095 1.00 0.00 H new ATOM 0 HB3 PHE A 799 -2.330 -17.276 3.658 1.00 0.00 H new ATOM 0 HD1 PHE A 799 -0.276 -18.580 0.859 1.00 0.00 H new ATOM 0 HD2 PHE A 799 -2.848 -15.394 2.197 1.00 0.00 H new ATOM 0 HE1 PHE A 799 -0.366 -17.677 -1.455 1.00 0.00 H new ATOM 0 HE2 PHE A 799 -2.957 -14.515 -0.124 1.00 0.00 H new ATOM 0 HZ PHE A 799 -1.717 -15.651 -1.950 1.00 0.00 H new ATOM 793 N LYS A 800 -0.916 -16.923 6.210 1.00 0.00 N ATOM 794 CA LYS A 800 -1.099 -17.285 7.618 1.00 0.00 C ATOM 795 C LYS A 800 -2.590 -17.286 8.012 1.00 0.00 C ATOM 796 O LYS A 800 -3.378 -16.464 7.542 1.00 0.00 O ATOM 797 CB LYS A 800 -0.272 -16.302 8.473 1.00 0.00 C ATOM 798 CG LYS A 800 -0.428 -16.527 9.986 1.00 0.00 C ATOM 799 CD LYS A 800 0.394 -15.536 10.814 1.00 0.00 C ATOM 800 CE LYS A 800 0.282 -15.833 12.319 1.00 0.00 C ATOM 801 NZ LYS A 800 -1.110 -15.699 12.832 1.00 0.00 N ATOM 0 H LYS A 800 -1.411 -16.065 5.967 1.00 0.00 H new ATOM 0 HA LYS A 800 -0.747 -18.302 7.792 1.00 0.00 H new ATOM 0 HB2 LYS A 800 0.781 -16.397 8.206 1.00 0.00 H new ATOM 0 HB3 LYS A 800 -0.572 -15.282 8.232 1.00 0.00 H new ATOM 0 HG2 LYS A 800 -1.480 -16.437 10.257 1.00 0.00 H new ATOM 0 HG3 LYS A 800 -0.121 -17.544 10.232 1.00 0.00 H new ATOM 0 HD2 LYS A 800 1.439 -15.584 10.509 1.00 0.00 H new ATOM 0 HD3 LYS A 800 0.050 -14.521 10.615 1.00 0.00 H new ATOM 0 HE2 LYS A 800 0.640 -16.844 12.513 1.00 0.00 H new ATOM 0 HE3 LYS A 800 0.934 -15.154 12.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 -1.111 -15.810 13.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 -1.482 -14.760 12.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 -1.710 -16.433 12.404 1.00 0.00 H new ATOM 815 N CYS A 801 -2.962 -18.198 8.906 1.00 0.00 N ATOM 816 CA CYS A 801 -4.258 -18.289 9.588 1.00 0.00 C ATOM 817 C CYS A 801 -4.190 -17.645 10.997 1.00 0.00 C ATOM 818 O CYS A 801 -3.121 -17.684 11.623 1.00 0.00 O ATOM 819 CB CYS A 801 -4.568 -19.791 9.665 1.00 0.00 C ATOM 820 SG CYS A 801 -6.252 -20.116 10.269 1.00 0.00 S ATOM 0 H CYS A 801 -2.328 -18.943 9.195 1.00 0.00 H new ATOM 0 HA CYS A 801 -5.040 -17.749 9.055 1.00 0.00 H new ATOM 0 HB2 CYS A 801 -4.446 -20.236 8.678 1.00 0.00 H new ATOM 0 HB3 CYS A 801 -3.848 -20.275 10.324 1.00 0.00 H new ATOM 0 HG CYS A 801 -6.693 -21.223 9.749 1.00 0.00 H new ATOM 825 N PRO A 802 -5.290 -17.088 11.552 1.00 0.00 N ATOM 826 CA PRO A 802 -5.310 -16.510 12.905 1.00 0.00 C ATOM 827 C PRO A 802 -4.907 -17.462 14.051 1.00 0.00 C ATOM 828 O PRO A 802 -4.448 -16.978 15.087 1.00 0.00 O ATOM 829 CB PRO A 802 -6.727 -15.941 13.107 1.00 0.00 C ATOM 830 CG PRO A 802 -7.568 -16.600 12.016 1.00 0.00 C ATOM 831 CD PRO A 802 -6.553 -16.781 10.889 1.00 0.00 C ATOM 0 HA PRO A 802 -4.537 -15.743 12.960 1.00 0.00 H new ATOM 0 HB2 PRO A 802 -7.111 -16.177 14.100 1.00 0.00 H new ATOM 0 HB3 PRO A 802 -6.735 -14.855 13.012 1.00 0.00 H new ATOM 0 HG2 PRO A 802 -7.986 -17.552 12.344 1.00 0.00 H new ATOM 0 HG3 PRO A 802 -8.405 -15.972 11.712 1.00 0.00 H new ATOM 0 HD2 PRO A 802 -6.851 -17.587 10.218 1.00 0.00 H new ATOM 0 HD3 PRO A 802 -6.471 -15.877 10.285 1.00 0.00 H new ATOM 839 N CYS A 803 -5.019 -18.794 13.894 1.00 0.00 N ATOM 840 CA CYS A 803 -4.531 -19.775 14.878 1.00 0.00 C ATOM 841 C CYS A 803 -2.992 -19.976 14.869 1.00 0.00 C ATOM 842 O CYS A 803 -2.434 -20.551 15.809 1.00 0.00 O ATOM 843 CB CYS A 803 -5.283 -21.106 14.703 1.00 0.00 C ATOM 844 SG CYS A 803 -4.750 -22.002 13.204 1.00 0.00 S ATOM 0 H CYS A 803 -5.453 -19.221 13.076 1.00 0.00 H new ATOM 0 HA CYS A 803 -4.746 -19.364 15.864 1.00 0.00 H new ATOM 0 HB2 CYS A 803 -5.117 -21.734 15.579 1.00 0.00 H new ATOM 0 HB3 CYS A 803 -6.354 -20.912 14.648 1.00 0.00 H new ATOM 0 HG CYS A 803 -5.231 -21.411 12.151 1.00 0.00 H new ATOM 849 N GLY A 804 -2.298 -19.470 13.839 1.00 0.00 N ATOM 850 CA GLY A 804 -0.842 -19.564 13.625 1.00 0.00 C ATOM 851 C GLY A 804 -0.423 -20.500 12.484 1.00 0.00 C ATOM 852 O GLY A 804 0.721 -20.411 12.030 1.00 0.00 O ATOM 0 H GLY A 804 -2.761 -18.955 13.090 1.00 0.00 H new ATOM 0 HA2 GLY A 804 -0.453 -18.567 13.420 1.00 0.00 H new ATOM 0 HA3 GLY A 804 -0.374 -19.906 14.548 1.00 0.00 H new ATOM 856 N ASN A 805 -1.324 -21.358 11.987 1.00 0.00 N ATOM 857 CA ASN A 805 -1.066 -22.256 10.852 1.00 0.00 C ATOM 858 C ASN A 805 -0.710 -21.482 9.558 1.00 0.00 C ATOM 859 O ASN A 805 -1.092 -20.321 9.393 1.00 0.00 O ATOM 860 CB ASN A 805 -2.276 -23.181 10.658 1.00 0.00 C ATOM 861 CG ASN A 805 -2.014 -24.323 9.679 1.00 0.00 C ATOM 862 OD1 ASN A 805 -0.891 -24.780 9.496 1.00 0.00 O ATOM 863 ND2 ASN A 805 -3.037 -24.806 9.000 1.00 0.00 N ATOM 0 H ASN A 805 -2.266 -21.450 12.367 1.00 0.00 H new ATOM 0 HA ASN A 805 -0.189 -22.863 11.078 1.00 0.00 H new ATOM 0 HB2 ASN A 805 -2.564 -23.598 11.623 1.00 0.00 H new ATOM 0 HB3 ASN A 805 -3.121 -22.592 10.301 1.00 0.00 H new ATOM 0 HD21 ASN A 805 -2.892 -25.557 8.325 1.00 0.00 H new ATOM 0 HD22 ASN A 805 -3.973 -24.428 9.150 1.00 0.00 H new ATOM 870 N ARG A 806 0.033 -22.121 8.645 1.00 0.00 N ATOM 871 CA ARG A 806 0.624 -21.503 7.443 1.00 0.00 C ATOM 872 C ARG A 806 0.311 -22.303 6.165 1.00 0.00 C ATOM 873 O ARG A 806 0.075 -23.511 6.232 1.00 0.00 O ATOM 874 CB ARG A 806 2.153 -21.398 7.609 1.00 0.00 C ATOM 875 CG ARG A 806 2.627 -20.686 8.886 1.00 0.00 C ATOM 876 CD ARG A 806 2.207 -19.215 8.965 1.00 0.00 C ATOM 877 NE ARG A 806 2.619 -18.638 10.255 1.00 0.00 N ATOM 878 CZ ARG A 806 3.492 -17.659 10.470 1.00 0.00 C ATOM 879 NH1 ARG A 806 4.081 -17.003 9.490 1.00 0.00 N ATOM 880 NH2 ARG A 806 3.782 -17.319 11.705 1.00 0.00 N ATOM 0 H ARG A 806 0.248 -23.115 8.722 1.00 0.00 H new ATOM 0 HA ARG A 806 0.182 -20.512 7.338 1.00 0.00 H new ATOM 0 HB2 ARG A 806 2.573 -22.404 7.596 1.00 0.00 H new ATOM 0 HB3 ARG A 806 2.560 -20.871 6.746 1.00 0.00 H new ATOM 0 HG2 ARG A 806 2.232 -21.214 9.754 1.00 0.00 H new ATOM 0 HG3 ARG A 806 3.714 -20.748 8.943 1.00 0.00 H new ATOM 0 HD2 ARG A 806 2.660 -18.655 8.147 1.00 0.00 H new ATOM 0 HD3 ARG A 806 1.126 -19.131 8.849 1.00 0.00 H new ATOM 0 HE ARG A 806 2.181 -19.038 11.085 1.00 0.00 H new ATOM 0 HH11 ARG A 806 3.873 -17.240 8.520 1.00 0.00 H new ATOM 0 HH12 ARG A 806 4.745 -16.258 9.702 1.00 0.00 H new ATOM 0 HH21 ARG A 806 3.339 -17.805 12.485 1.00 0.00 H new ATOM 0 HH22 ARG A 806 4.450 -16.569 11.884 1.00 0.00 H new ATOM 894 N THR A 807 0.379 -21.637 5.005 1.00 0.00 N ATOM 895 CA THR A 807 0.310 -22.252 3.663 1.00 0.00 C ATOM 896 C THR A 807 0.938 -21.345 2.595 1.00 0.00 C ATOM 897 O THR A 807 1.351 -20.222 2.879 1.00 0.00 O ATOM 898 CB THR A 807 -1.122 -22.710 3.331 1.00 0.00 C ATOM 899 OG1 THR A 807 -1.069 -23.664 2.291 1.00 0.00 O ATOM 900 CG2 THR A 807 -2.045 -21.577 2.895 1.00 0.00 C ATOM 0 H THR A 807 0.487 -20.623 4.968 1.00 0.00 H new ATOM 0 HA THR A 807 0.916 -23.158 3.667 1.00 0.00 H new ATOM 0 HB THR A 807 -1.535 -23.126 4.250 1.00 0.00 H new ATOM 0 HG1 THR A 807 -1.977 -23.962 2.074 1.00 0.00 H new ATOM 0 HG21 THR A 807 -3.035 -21.977 2.678 1.00 0.00 H new ATOM 0 HG22 THR A 807 -2.119 -20.840 3.694 1.00 0.00 H new ATOM 0 HG23 THR A 807 -1.642 -21.103 2.000 1.00 0.00 H new ATOM 908 N ILE A 808 1.034 -21.849 1.367 1.00 0.00 N ATOM 909 CA ILE A 808 1.673 -21.222 0.195 1.00 0.00 C ATOM 910 C ILE A 808 0.763 -21.455 -1.024 1.00 0.00 C ATOM 911 O ILE A 808 0.140 -22.514 -1.141 1.00 0.00 O ATOM 912 CB ILE A 808 3.095 -21.809 -0.045 1.00 0.00 C ATOM 913 CG1 ILE A 808 3.936 -21.852 1.260 1.00 0.00 C ATOM 914 CG2 ILE A 808 3.843 -21.018 -1.140 1.00 0.00 C ATOM 915 CD1 ILE A 808 5.389 -22.316 1.090 1.00 0.00 C ATOM 0 H ILE A 808 0.645 -22.765 1.141 1.00 0.00 H new ATOM 0 HA ILE A 808 1.798 -20.153 0.365 1.00 0.00 H new ATOM 0 HB ILE A 808 2.961 -22.836 -0.385 1.00 0.00 H new ATOM 0 HG12 ILE A 808 3.940 -20.856 1.703 1.00 0.00 H new ATOM 0 HG13 ILE A 808 3.441 -22.515 1.970 1.00 0.00 H new ATOM 0 HG21 ILE A 808 4.833 -21.449 -1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 808 3.282 -21.069 -2.073 1.00 0.00 H new ATOM 0 HG23 ILE A 808 3.942 -19.977 -0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 808 5.888 -22.310 2.059 1.00 0.00 H new ATOM 0 HD12 ILE A 808 5.403 -23.326 0.680 1.00 0.00 H new ATOM 0 HD13 ILE A 808 5.909 -21.642 0.410 1.00 0.00 H new ATOM 927 N SER A 809 0.685 -20.505 -1.954 1.00 0.00 N ATOM 928 CA SER A 809 -0.065 -20.665 -3.213 1.00 0.00 C ATOM 929 C SER A 809 0.652 -20.006 -4.399 1.00 0.00 C ATOM 930 O SER A 809 1.444 -19.074 -4.228 1.00 0.00 O ATOM 931 CB SER A 809 -1.482 -20.094 -3.068 1.00 0.00 C ATOM 932 OG SER A 809 -2.290 -20.434 -4.188 1.00 0.00 O ATOM 0 H SER A 809 1.140 -19.597 -1.862 1.00 0.00 H new ATOM 0 HA SER A 809 -0.127 -21.734 -3.419 1.00 0.00 H new ATOM 0 HB2 SER A 809 -1.940 -20.477 -2.156 1.00 0.00 H new ATOM 0 HB3 SER A 809 -1.432 -19.010 -2.968 1.00 0.00 H new ATOM 0 HG SER A 809 -3.188 -20.060 -4.069 1.00 0.00 H new ATOM 938 N LEU A 810 0.348 -20.474 -5.615 1.00 0.00 N ATOM 939 CA LEU A 810 0.690 -19.801 -6.874 1.00 0.00 C ATOM 940 C LEU A 810 -0.324 -18.700 -7.243 1.00 0.00 C ATOM 941 O LEU A 810 -0.033 -17.864 -8.099 1.00 0.00 O ATOM 942 CB LEU A 810 0.815 -20.844 -8.005 1.00 0.00 C ATOM 943 CG LEU A 810 1.960 -21.871 -7.852 1.00 0.00 C ATOM 944 CD1 LEU A 810 1.973 -22.810 -9.065 1.00 0.00 C ATOM 945 CD2 LEU A 810 3.333 -21.201 -7.711 1.00 0.00 C ATOM 0 H LEU A 810 -0.154 -21.351 -5.755 1.00 0.00 H new ATOM 0 HA LEU A 810 1.650 -19.303 -6.738 1.00 0.00 H new ATOM 0 HB2 LEU A 810 -0.127 -21.387 -8.078 1.00 0.00 H new ATOM 0 HB3 LEU A 810 0.951 -20.315 -8.948 1.00 0.00 H new ATOM 0 HG LEU A 810 1.773 -22.432 -6.936 1.00 0.00 H new ATOM 0 HD11 LEU A 810 2.781 -23.534 -8.956 1.00 0.00 H new ATOM 0 HD12 LEU A 810 1.020 -23.336 -9.128 1.00 0.00 H new ATOM 0 HD13 LEU A 810 2.127 -22.228 -9.974 1.00 0.00 H new ATOM 0 HD21 LEU A 810 4.102 -21.966 -7.607 1.00 0.00 H new ATOM 0 HD22 LEU A 810 3.537 -20.600 -8.597 1.00 0.00 H new ATOM 0 HD23 LEU A 810 3.336 -20.560 -6.829 1.00 0.00 H new ATOM 957 N ASP A 811 -1.496 -18.656 -6.603 1.00 0.00 N ATOM 958 CA ASP A 811 -2.513 -17.603 -6.769 1.00 0.00 C ATOM 959 C ASP A 811 -2.466 -16.586 -5.612 1.00 0.00 C ATOM 960 O ASP A 811 -1.806 -16.808 -4.594 1.00 0.00 O ATOM 961 CB ASP A 811 -3.900 -18.264 -6.890 1.00 0.00 C ATOM 962 CG ASP A 811 -5.016 -17.325 -7.385 1.00 0.00 C ATOM 963 OD1 ASP A 811 -4.709 -16.320 -8.072 1.00 0.00 O ATOM 964 OD2 ASP A 811 -6.203 -17.599 -7.090 1.00 0.00 O ATOM 0 H ASP A 811 -1.776 -19.373 -5.933 1.00 0.00 H new ATOM 0 HA ASP A 811 -2.305 -17.042 -7.680 1.00 0.00 H new ATOM 0 HB2 ASP A 811 -3.826 -19.111 -7.572 1.00 0.00 H new ATOM 0 HB3 ASP A 811 -4.184 -18.663 -5.916 1.00 0.00 H new ATOM 969 N ARG A 812 -3.194 -15.471 -5.747 1.00 0.00 N ATOM 970 CA ARG A 812 -3.269 -14.398 -4.743 1.00 0.00 C ATOM 971 C ARG A 812 -3.969 -14.792 -3.419 1.00 0.00 C ATOM 972 O ARG A 812 -3.970 -13.995 -2.478 1.00 0.00 O ATOM 973 CB ARG A 812 -3.882 -13.140 -5.370 1.00 0.00 C ATOM 974 CG ARG A 812 -5.358 -13.298 -5.771 1.00 0.00 C ATOM 975 CD ARG A 812 -5.971 -11.923 -6.054 1.00 0.00 C ATOM 976 NE ARG A 812 -5.400 -11.297 -7.263 1.00 0.00 N ATOM 977 CZ ARG A 812 -5.383 -10.002 -7.555 1.00 0.00 C ATOM 978 NH1 ARG A 812 -5.911 -9.097 -6.762 1.00 0.00 N ATOM 979 NH2 ARG A 812 -4.824 -9.596 -8.673 1.00 0.00 N ATOM 0 H ARG A 812 -3.760 -15.284 -6.574 1.00 0.00 H new ATOM 0 HA ARG A 812 -2.243 -14.189 -4.440 1.00 0.00 H new ATOM 0 HB2 ARG A 812 -3.794 -12.315 -4.664 1.00 0.00 H new ATOM 0 HB3 ARG A 812 -3.303 -12.867 -6.253 1.00 0.00 H new ATOM 0 HG2 ARG A 812 -5.438 -13.931 -6.655 1.00 0.00 H new ATOM 0 HG3 ARG A 812 -5.910 -13.795 -4.973 1.00 0.00 H new ATOM 0 HD2 ARG A 812 -7.049 -12.026 -6.175 1.00 0.00 H new ATOM 0 HD3 ARG A 812 -5.807 -11.270 -5.197 1.00 0.00 H new ATOM 0 HE ARG A 812 -4.974 -11.925 -7.945 1.00 0.00 H new ATOM 0 HH11 ARG A 812 -6.353 -9.381 -5.888 1.00 0.00 H new ATOM 0 HH12 ARG A 812 -5.878 -8.111 -7.021 1.00 0.00 H new ATOM 0 HH21 ARG A 812 -4.407 -10.274 -9.310 1.00 0.00 H new ATOM 0 HH22 ARG A 812 -4.807 -8.603 -8.903 1.00 0.00 H new ATOM 993 N LEU A 813 -4.543 -15.998 -3.340 1.00 0.00 N ATOM 994 CA LEU A 813 -5.165 -16.590 -2.147 1.00 0.00 C ATOM 995 C LEU A 813 -5.215 -18.127 -2.319 1.00 0.00 C ATOM 996 O LEU A 813 -5.546 -18.577 -3.422 1.00 0.00 O ATOM 997 CB LEU A 813 -6.572 -15.974 -1.965 1.00 0.00 C ATOM 998 CG LEU A 813 -7.208 -16.200 -0.581 1.00 0.00 C ATOM 999 CD1 LEU A 813 -6.518 -15.351 0.501 1.00 0.00 C ATOM 1000 CD2 LEU A 813 -8.693 -15.824 -0.640 1.00 0.00 C ATOM 0 H LEU A 813 -4.589 -16.620 -4.147 1.00 0.00 H new ATOM 0 HA LEU A 813 -4.586 -16.375 -1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -6.509 -14.901 -2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 813 -7.235 -16.389 -2.725 1.00 0.00 H new ATOM 0 HG LEU A 813 -7.089 -17.252 -0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 813 -6.992 -15.535 1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -5.463 -15.621 0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 813 -6.609 -14.295 0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 813 -9.148 -15.982 0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 813 -8.792 -14.775 -0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 813 -9.197 -16.446 -1.379 1.00 0.00 H new ATOM 1012 N PRO A 814 -4.905 -18.938 -1.283 1.00 0.00 N ATOM 1013 CA PRO A 814 -4.929 -20.398 -1.370 1.00 0.00 C ATOM 1014 C PRO A 814 -6.359 -20.940 -1.501 1.00 0.00 C ATOM 1015 O PRO A 814 -7.324 -20.312 -1.071 1.00 0.00 O ATOM 1016 CB PRO A 814 -4.233 -20.908 -0.101 1.00 0.00 C ATOM 1017 CG PRO A 814 -4.507 -19.791 0.903 1.00 0.00 C ATOM 1018 CD PRO A 814 -4.438 -18.538 0.034 1.00 0.00 C ATOM 0 HA PRO A 814 -4.413 -20.747 -2.265 1.00 0.00 H new ATOM 0 HB2 PRO A 814 -4.644 -21.861 0.231 1.00 0.00 H new ATOM 0 HB3 PRO A 814 -3.165 -21.059 -0.258 1.00 0.00 H new ATOM 0 HG2 PRO A 814 -5.482 -19.902 1.377 1.00 0.00 H new ATOM 0 HG3 PRO A 814 -3.765 -19.772 1.701 1.00 0.00 H new ATOM 0 HD2 PRO A 814 -5.061 -17.744 0.444 1.00 0.00 H new ATOM 0 HD3 PRO A 814 -3.420 -18.152 -0.014 1.00 0.00 H new ATOM 1026 N LYS A 815 -6.483 -22.137 -2.084 1.00 0.00 N ATOM 1027 CA LYS A 815 -7.773 -22.785 -2.389 1.00 0.00 C ATOM 1028 C LYS A 815 -8.366 -23.622 -1.240 1.00 0.00 C ATOM 1029 O LYS A 815 -9.548 -23.986 -1.270 1.00 0.00 O ATOM 1030 CB LYS A 815 -7.620 -23.623 -3.681 1.00 0.00 C ATOM 1031 CG LYS A 815 -6.977 -25.021 -3.563 1.00 0.00 C ATOM 1032 CD LYS A 815 -5.519 -25.057 -3.071 1.00 0.00 C ATOM 1033 CE LYS A 815 -4.989 -26.493 -2.958 1.00 0.00 C ATOM 1034 NZ LYS A 815 -4.681 -27.098 -4.282 1.00 0.00 N ATOM 0 H LYS A 815 -5.678 -22.697 -2.364 1.00 0.00 H new ATOM 0 HA LYS A 815 -8.500 -21.986 -2.535 1.00 0.00 H new ATOM 0 HB2 LYS A 815 -8.611 -23.746 -4.119 1.00 0.00 H new ATOM 0 HB3 LYS A 815 -7.029 -23.042 -4.389 1.00 0.00 H new ATOM 0 HG2 LYS A 815 -7.583 -25.621 -2.884 1.00 0.00 H new ATOM 0 HG3 LYS A 815 -7.021 -25.502 -4.540 1.00 0.00 H new ATOM 0 HD2 LYS A 815 -4.890 -24.491 -3.758 1.00 0.00 H new ATOM 0 HD3 LYS A 815 -5.451 -24.567 -2.099 1.00 0.00 H new ATOM 0 HE2 LYS A 815 -4.089 -26.496 -2.344 1.00 0.00 H new ATOM 0 HE3 LYS A 815 -5.727 -27.109 -2.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 815 -4.658 -28.134 -4.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 815 -5.414 -26.826 -4.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 815 -3.755 -26.758 -4.612 1.00 0.00 H new ATOM 1048 N LYS A 816 -7.540 -23.985 -0.254 1.00 0.00 N ATOM 1049 CA LYS A 816 -7.821 -25.004 0.766 1.00 0.00 C ATOM 1050 C LYS A 816 -8.150 -24.405 2.152 1.00 0.00 C ATOM 1051 O LYS A 816 -7.696 -23.314 2.494 1.00 0.00 O ATOM 1052 CB LYS A 816 -6.647 -26.012 0.780 1.00 0.00 C ATOM 1053 CG LYS A 816 -5.234 -25.441 1.051 1.00 0.00 C ATOM 1054 CD LYS A 816 -4.834 -25.358 2.532 1.00 0.00 C ATOM 1055 CE LYS A 816 -4.583 -26.749 3.132 1.00 0.00 C ATOM 1056 NZ LYS A 816 -4.480 -26.682 4.609 1.00 0.00 N ATOM 0 H LYS A 816 -6.620 -23.561 -0.139 1.00 0.00 H new ATOM 0 HA LYS A 816 -8.735 -25.537 0.504 1.00 0.00 H new ATOM 0 HB2 LYS A 816 -6.858 -26.767 1.537 1.00 0.00 H new ATOM 0 HB3 LYS A 816 -6.627 -26.522 -0.183 1.00 0.00 H new ATOM 0 HG2 LYS A 816 -4.504 -26.059 0.528 1.00 0.00 H new ATOM 0 HG3 LYS A 816 -5.174 -24.442 0.619 1.00 0.00 H new ATOM 0 HD2 LYS A 816 -3.934 -24.751 2.632 1.00 0.00 H new ATOM 0 HD3 LYS A 816 -5.622 -24.856 3.094 1.00 0.00 H new ATOM 0 HE2 LYS A 816 -5.394 -27.421 2.851 1.00 0.00 H new ATOM 0 HE3 LYS A 816 -3.665 -27.166 2.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 816 -4.177 -27.606 4.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 816 -3.783 -25.957 4.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 816 -5.407 -26.436 5.011 1.00 0.00 H new ATOM 1070 N HIS A 817 -8.935 -25.114 2.961 1.00 0.00 N ATOM 1071 CA HIS A 817 -9.221 -24.749 4.357 1.00 0.00 C ATOM 1072 C HIS A 817 -8.066 -25.158 5.301 1.00 0.00 C ATOM 1073 O HIS A 817 -7.194 -25.953 4.934 1.00 0.00 O ATOM 1074 CB HIS A 817 -10.558 -25.381 4.776 1.00 0.00 C ATOM 1075 CG HIS A 817 -11.780 -24.740 4.148 1.00 0.00 C ATOM 1076 ND1 HIS A 817 -11.967 -24.400 2.825 1.00 0.00 N ATOM 1077 CD2 HIS A 817 -12.937 -24.415 4.808 1.00 0.00 C ATOM 1078 CE1 HIS A 817 -13.198 -23.873 2.694 1.00 0.00 C ATOM 1079 NE2 HIS A 817 -13.834 -23.864 3.880 1.00 0.00 N ATOM 0 H HIS A 817 -9.400 -25.972 2.665 1.00 0.00 H new ATOM 0 HA HIS A 817 -9.305 -23.665 4.435 1.00 0.00 H new ATOM 0 HB2 HIS A 817 -10.543 -26.439 4.514 1.00 0.00 H new ATOM 0 HB3 HIS A 817 -10.649 -25.322 5.861 1.00 0.00 H new ATOM 0 HD2 HIS A 817 -13.126 -24.558 5.862 1.00 0.00 H new ATOM 0 HE1 HIS A 817 -13.617 -23.509 1.768 1.00 0.00 H new ATOM 0 HE2 HIS A 817 -14.778 -23.525 4.067 1.00 0.00 H new ATOM 1087 N CYS A 818 -8.043 -24.610 6.520 1.00 0.00 N ATOM 1088 CA CYS A 818 -7.014 -24.854 7.525 1.00 0.00 C ATOM 1089 C CYS A 818 -6.922 -26.334 7.957 1.00 0.00 C ATOM 1090 O CYS A 818 -7.925 -27.017 8.158 1.00 0.00 O ATOM 1091 CB CYS A 818 -7.302 -23.920 8.707 1.00 0.00 C ATOM 1092 SG CYS A 818 -5.996 -24.036 9.967 1.00 0.00 S ATOM 0 H CYS A 818 -8.765 -23.965 6.841 1.00 0.00 H new ATOM 0 HA CYS A 818 -6.033 -24.640 7.100 1.00 0.00 H new ATOM 0 HB2 CYS A 818 -7.379 -22.892 8.352 1.00 0.00 H new ATOM 0 HB3 CYS A 818 -8.264 -24.176 9.151 1.00 0.00 H new ATOM 0 HG CYS A 818 -5.727 -22.849 10.424 1.00 0.00 H new ATOM 1097 N SER A 819 -5.697 -26.818 8.125 1.00 0.00 N ATOM 1098 CA SER A 819 -5.399 -28.162 8.641 1.00 0.00 C ATOM 1099 C SER A 819 -5.520 -28.267 10.174 1.00 0.00 C ATOM 1100 O SER A 819 -5.585 -29.380 10.706 1.00 0.00 O ATOM 1101 CB SER A 819 -3.973 -28.568 8.238 1.00 0.00 C ATOM 1102 OG SER A 819 -3.737 -28.417 6.839 1.00 0.00 O ATOM 0 H SER A 819 -4.859 -26.280 7.903 1.00 0.00 H new ATOM 0 HA SER A 819 -6.141 -28.830 8.203 1.00 0.00 H new ATOM 0 HB2 SER A 819 -3.256 -27.962 8.792 1.00 0.00 H new ATOM 0 HB3 SER A 819 -3.800 -29.606 8.522 1.00 0.00 H new ATOM 0 HG SER A 819 -2.818 -28.685 6.631 1.00 0.00 H new ATOM 1108 N THR A 820 -5.527 -27.126 10.888 1.00 0.00 N ATOM 1109 CA THR A 820 -5.380 -27.051 12.354 1.00 0.00 C ATOM 1110 C THR A 820 -6.685 -26.679 13.062 1.00 0.00 C ATOM 1111 O THR A 820 -6.932 -27.214 14.144 1.00 0.00 O ATOM 1112 CB THR A 820 -4.240 -26.074 12.697 1.00 0.00 C ATOM 1113 OG1 THR A 820 -3.053 -26.592 12.120 1.00 0.00 O ATOM 1114 CG2 THR A 820 -3.974 -25.915 14.198 1.00 0.00 C ATOM 0 H THR A 820 -5.637 -26.210 10.452 1.00 0.00 H new ATOM 0 HA THR A 820 -5.125 -28.044 12.725 1.00 0.00 H new ATOM 0 HB THR A 820 -4.535 -25.097 12.316 1.00 0.00 H new ATOM 0 HG1 THR A 820 -2.304 -25.992 12.318 1.00 0.00 H new ATOM 0 HG21 THR A 820 -3.157 -25.210 14.350 1.00 0.00 H new ATOM 0 HG22 THR A 820 -4.872 -25.541 14.689 1.00 0.00 H new ATOM 0 HG23 THR A 820 -3.704 -26.881 14.624 1.00 0.00 H new ATOM 1122 N CYS A 821 -7.525 -25.826 12.464 1.00 0.00 N ATOM 1123 CA CYS A 821 -8.828 -25.422 13.024 1.00 0.00 C ATOM 1124 C CYS A 821 -10.038 -25.572 12.066 1.00 0.00 C ATOM 1125 O CYS A 821 -11.185 -25.574 12.517 1.00 0.00 O ATOM 1126 CB CYS A 821 -8.712 -24.016 13.633 1.00 0.00 C ATOM 1127 SG CYS A 821 -8.534 -22.698 12.384 1.00 0.00 S ATOM 0 H CYS A 821 -7.320 -25.389 11.566 1.00 0.00 H new ATOM 0 HA CYS A 821 -9.063 -26.136 13.813 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -9.596 -23.816 14.238 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -7.854 -23.989 14.304 1.00 0.00 H new ATOM 0 HG CYS A 821 -7.665 -23.063 11.489 1.00 0.00 H new ATOM 1132 N GLY A 822 -9.799 -25.771 10.766 1.00 0.00 N ATOM 1133 CA GLY A 822 -10.793 -26.241 9.788 1.00 0.00 C ATOM 1134 C GLY A 822 -11.576 -25.158 9.034 1.00 0.00 C ATOM 1135 O GLY A 822 -12.346 -25.505 8.136 1.00 0.00 O ATOM 0 H GLY A 822 -8.883 -25.605 10.350 1.00 0.00 H new ATOM 0 HA2 GLY A 822 -10.282 -26.865 9.055 1.00 0.00 H new ATOM 0 HA3 GLY A 822 -11.508 -26.879 10.308 1.00 0.00 H new ATOM 1139 N LEU A 823 -11.403 -23.873 9.369 1.00 0.00 N ATOM 1140 CA LEU A 823 -12.064 -22.740 8.699 1.00 0.00 C ATOM 1141 C LEU A 823 -11.254 -22.186 7.504 1.00 0.00 C ATOM 1142 O LEU A 823 -10.263 -22.784 7.077 1.00 0.00 O ATOM 1143 CB LEU A 823 -12.484 -21.694 9.764 1.00 0.00 C ATOM 1144 CG LEU A 823 -11.400 -21.127 10.704 1.00 0.00 C ATOM 1145 CD1 LEU A 823 -10.203 -20.506 9.972 1.00 0.00 C ATOM 1146 CD2 LEU A 823 -12.037 -20.073 11.628 1.00 0.00 C ATOM 0 H LEU A 823 -10.787 -23.583 10.129 1.00 0.00 H new ATOM 0 HA LEU A 823 -12.980 -23.084 8.218 1.00 0.00 H new ATOM 0 HB2 LEU A 823 -12.943 -20.854 9.242 1.00 0.00 H new ATOM 0 HB3 LEU A 823 -13.259 -22.145 10.384 1.00 0.00 H new ATOM 0 HG LEU A 823 -11.007 -21.970 11.272 1.00 0.00 H new ATOM 0 HD11 LEU A 823 -9.485 -20.130 10.701 1.00 0.00 H new ATOM 0 HD12 LEU A 823 -9.725 -21.262 9.349 1.00 0.00 H new ATOM 0 HD13 LEU A 823 -10.547 -19.684 9.345 1.00 0.00 H new ATOM 0 HD21 LEU A 823 -11.277 -19.667 12.296 1.00 0.00 H new ATOM 0 HD22 LEU A 823 -12.458 -19.268 11.026 1.00 0.00 H new ATOM 0 HD23 LEU A 823 -12.828 -20.536 12.218 1.00 0.00 H new ATOM 1158 N PHE A 824 -11.677 -21.036 6.966 1.00 0.00 N ATOM 1159 CA PHE A 824 -11.013 -20.314 5.875 1.00 0.00 C ATOM 1160 C PHE A 824 -10.899 -18.815 6.218 1.00 0.00 C ATOM 1161 O PHE A 824 -11.839 -18.045 6.028 1.00 0.00 O ATOM 1162 CB PHE A 824 -11.800 -20.570 4.574 1.00 0.00 C ATOM 1163 CG PHE A 824 -11.112 -20.080 3.316 1.00 0.00 C ATOM 1164 CD1 PHE A 824 -10.235 -20.934 2.621 1.00 0.00 C ATOM 1165 CD2 PHE A 824 -11.372 -18.790 2.814 1.00 0.00 C ATOM 1166 CE1 PHE A 824 -9.623 -20.506 1.431 1.00 0.00 C ATOM 1167 CE2 PHE A 824 -10.759 -18.363 1.618 1.00 0.00 C ATOM 1168 CZ PHE A 824 -9.882 -19.220 0.929 1.00 0.00 C ATOM 0 H PHE A 824 -12.522 -20.566 7.291 1.00 0.00 H new ATOM 0 HA PHE A 824 -9.994 -20.674 5.735 1.00 0.00 H new ATOM 0 HB2 PHE A 824 -11.983 -21.640 4.480 1.00 0.00 H new ATOM 0 HB3 PHE A 824 -12.774 -20.086 4.652 1.00 0.00 H new ATOM 0 HD1 PHE A 824 -10.032 -21.923 3.004 1.00 0.00 H new ATOM 0 HD2 PHE A 824 -12.040 -18.128 3.345 1.00 0.00 H new ATOM 0 HE1 PHE A 824 -8.953 -21.167 0.902 1.00 0.00 H new ATOM 0 HE2 PHE A 824 -10.963 -17.376 1.230 1.00 0.00 H new ATOM 0 HZ PHE A 824 -9.409 -18.890 0.016 1.00 0.00 H new ATOM 1178 N LYS A 825 -9.745 -18.404 6.756 1.00 0.00 N ATOM 1179 CA LYS A 825 -9.435 -17.033 7.215 1.00 0.00 C ATOM 1180 C LYS A 825 -7.982 -16.617 6.875 1.00 0.00 C ATOM 1181 O LYS A 825 -7.335 -15.870 7.617 1.00 0.00 O ATOM 1182 CB LYS A 825 -9.755 -16.907 8.729 1.00 0.00 C ATOM 1183 CG LYS A 825 -11.242 -16.961 9.121 1.00 0.00 C ATOM 1184 CD LYS A 825 -12.056 -15.759 8.613 1.00 0.00 C ATOM 1185 CE LYS A 825 -13.541 -15.854 9.003 1.00 0.00 C ATOM 1186 NZ LYS A 825 -13.770 -15.643 10.458 1.00 0.00 N ATOM 0 H LYS A 825 -8.962 -19.043 6.892 1.00 0.00 H new ATOM 0 HA LYS A 825 -10.070 -16.331 6.674 1.00 0.00 H new ATOM 0 HB2 LYS A 825 -9.234 -17.706 9.256 1.00 0.00 H new ATOM 0 HB3 LYS A 825 -9.341 -15.965 9.088 1.00 0.00 H new ATOM 0 HG2 LYS A 825 -11.680 -17.878 8.727 1.00 0.00 H new ATOM 0 HG3 LYS A 825 -11.321 -17.010 10.207 1.00 0.00 H new ATOM 0 HD2 LYS A 825 -11.634 -14.840 9.019 1.00 0.00 H new ATOM 0 HD3 LYS A 825 -11.971 -15.697 7.528 1.00 0.00 H new ATOM 0 HE2 LYS A 825 -14.108 -15.113 8.439 1.00 0.00 H new ATOM 0 HE3 LYS A 825 -13.925 -16.833 8.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 825 -14.787 -15.718 10.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 825 -13.253 -16.365 10.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 825 -13.431 -14.698 10.729 1.00 0.00 H new ATOM 1200 N TRP A 826 -7.446 -17.120 5.756 1.00 0.00 N ATOM 1201 CA TRP A 826 -6.076 -16.839 5.298 1.00 0.00 C ATOM 1202 C TRP A 826 -5.816 -15.344 5.045 1.00 0.00 C ATOM 1203 O TRP A 826 -6.649 -14.637 4.477 1.00 0.00 O ATOM 1204 CB TRP A 826 -5.778 -17.652 4.035 1.00 0.00 C ATOM 1205 CG TRP A 826 -5.810 -19.138 4.206 1.00 0.00 C ATOM 1206 CD1 TRP A 826 -6.727 -19.965 3.662 1.00 0.00 C ATOM 1207 CD2 TRP A 826 -4.890 -19.997 4.949 1.00 0.00 C ATOM 1208 NE1 TRP A 826 -6.426 -21.271 3.995 1.00 0.00 N ATOM 1209 CE2 TRP A 826 -5.324 -21.349 4.815 1.00 0.00 C ATOM 1210 CE3 TRP A 826 -3.730 -19.772 5.720 1.00 0.00 C ATOM 1211 CZ2 TRP A 826 -4.651 -22.421 5.426 1.00 0.00 C ATOM 1212 CZ3 TRP A 826 -3.053 -20.833 6.348 1.00 0.00 C ATOM 1213 CH2 TRP A 826 -3.511 -22.157 6.206 1.00 0.00 C ATOM 0 H TRP A 826 -7.958 -17.744 5.132 1.00 0.00 H new ATOM 0 HA TRP A 826 -5.403 -17.136 6.102 1.00 0.00 H new ATOM 0 HB2 TRP A 826 -6.500 -17.376 3.267 1.00 0.00 H new ATOM 0 HB3 TRP A 826 -4.794 -17.367 3.664 1.00 0.00 H new ATOM 0 HD1 TRP A 826 -7.567 -19.653 3.059 1.00 0.00 H new ATOM 0 HE1 TRP A 826 -6.957 -22.080 3.672 1.00 0.00 H new ATOM 0 HE3 TRP A 826 -3.355 -18.765 5.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 826 -5.004 -23.433 5.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 826 -2.175 -20.631 6.944 1.00 0.00 H new ATOM 0 HH2 TRP A 826 -2.989 -22.967 6.694 1.00 0.00 H new ATOM 1224 N GLU A 827 -4.623 -14.894 5.431 1.00 0.00 N ATOM 1225 CA GLU A 827 -4.103 -13.542 5.204 1.00 0.00 C ATOM 1226 C GLU A 827 -2.688 -13.642 4.623 1.00 0.00 C ATOM 1227 O GLU A 827 -1.882 -14.444 5.103 1.00 0.00 O ATOM 1228 CB GLU A 827 -4.079 -12.783 6.545 1.00 0.00 C ATOM 1229 CG GLU A 827 -3.619 -11.319 6.460 1.00 0.00 C ATOM 1230 CD GLU A 827 -4.580 -10.462 5.626 1.00 0.00 C ATOM 1231 OE1 GLU A 827 -4.386 -10.354 4.391 1.00 0.00 O ATOM 1232 OE2 GLU A 827 -5.522 -9.874 6.205 1.00 0.00 O ATOM 0 H GLU A 827 -3.962 -15.486 5.933 1.00 0.00 H new ATOM 0 HA GLU A 827 -4.739 -13.004 4.501 1.00 0.00 H new ATOM 0 HB2 GLU A 827 -5.080 -12.808 6.976 1.00 0.00 H new ATOM 0 HB3 GLU A 827 -3.422 -13.314 7.233 1.00 0.00 H new ATOM 0 HG2 GLU A 827 -3.543 -10.904 7.465 1.00 0.00 H new ATOM 0 HG3 GLU A 827 -2.622 -11.277 6.021 1.00 0.00 H new ATOM 1239 N ARG A 828 -2.368 -12.842 3.597 1.00 0.00 N ATOM 1240 CA ARG A 828 -1.051 -12.861 2.952 1.00 0.00 C ATOM 1241 C ARG A 828 0.001 -12.196 3.856 1.00 0.00 C ATOM 1242 O ARG A 828 -0.231 -11.108 4.387 1.00 0.00 O ATOM 1243 CB ARG A 828 -1.131 -12.208 1.561 1.00 0.00 C ATOM 1244 CG ARG A 828 -0.006 -12.716 0.644 1.00 0.00 C ATOM 1245 CD ARG A 828 -0.140 -12.203 -0.793 1.00 0.00 C ATOM 1246 NE ARG A 828 0.720 -11.039 -1.061 1.00 0.00 N ATOM 1247 CZ ARG A 828 1.289 -10.740 -2.225 1.00 0.00 C ATOM 1248 NH1 ARG A 828 1.031 -11.410 -3.329 1.00 0.00 N ATOM 1249 NH2 ARG A 828 2.144 -9.745 -2.309 1.00 0.00 N ATOM 0 H ARG A 828 -3.015 -12.165 3.192 1.00 0.00 H new ATOM 0 HA ARG A 828 -0.735 -13.894 2.805 1.00 0.00 H new ATOM 0 HB2 ARG A 828 -2.099 -12.426 1.109 1.00 0.00 H new ATOM 0 HB3 ARG A 828 -1.062 -11.125 1.660 1.00 0.00 H new ATOM 0 HG2 ARG A 828 0.957 -12.404 1.049 1.00 0.00 H new ATOM 0 HG3 ARG A 828 -0.011 -13.806 0.639 1.00 0.00 H new ATOM 0 HD2 ARG A 828 0.114 -13.005 -1.486 1.00 0.00 H new ATOM 0 HD3 ARG A 828 -1.179 -11.934 -0.983 1.00 0.00 H new ATOM 0 HE ARG A 828 0.896 -10.404 -0.283 1.00 0.00 H new ATOM 0 HH11 ARG A 828 0.374 -12.190 -3.311 1.00 0.00 H new ATOM 0 HH12 ARG A 828 1.488 -11.149 -4.203 1.00 0.00 H new ATOM 0 HH21 ARG A 828 2.374 -9.198 -1.479 1.00 0.00 H new ATOM 0 HH22 ARG A 828 2.578 -9.520 -3.204 1.00 0.00 H new ATOM 1263 N VAL A 829 1.154 -12.839 4.020 1.00 0.00 N ATOM 1264 CA VAL A 829 2.251 -12.421 4.925 1.00 0.00 C ATOM 1265 C VAL A 829 3.568 -12.200 4.168 1.00 0.00 C ATOM 1266 O VAL A 829 3.634 -12.409 2.957 1.00 0.00 O ATOM 1267 CB VAL A 829 2.442 -13.407 6.111 1.00 0.00 C ATOM 1268 CG1 VAL A 829 1.242 -13.342 7.062 1.00 0.00 C ATOM 1269 CG2 VAL A 829 2.679 -14.864 5.673 1.00 0.00 C ATOM 0 H VAL A 829 1.370 -13.698 3.514 1.00 0.00 H new ATOM 0 HA VAL A 829 1.952 -11.462 5.348 1.00 0.00 H new ATOM 0 HB VAL A 829 3.347 -13.083 6.625 1.00 0.00 H new ATOM 0 HG11 VAL A 829 1.393 -14.039 7.886 1.00 0.00 H new ATOM 0 HG12 VAL A 829 1.144 -12.330 7.455 1.00 0.00 H new ATOM 0 HG13 VAL A 829 0.334 -13.611 6.521 1.00 0.00 H new ATOM 0 HG21 VAL A 829 2.803 -15.493 6.554 1.00 0.00 H new ATOM 0 HG22 VAL A 829 1.824 -15.214 5.095 1.00 0.00 H new ATOM 0 HG23 VAL A 829 3.578 -14.918 5.059 1.00 0.00 H new ATOM 1279 N GLY A 830 4.610 -11.746 4.877 1.00 0.00 N ATOM 1280 CA GLY A 830 5.941 -11.449 4.342 1.00 0.00 C ATOM 1281 C GLY A 830 6.781 -12.683 4.041 1.00 0.00 C ATOM 1282 O GLY A 830 6.288 -13.814 4.023 1.00 0.00 O ATOM 0 H GLY A 830 4.544 -11.569 5.879 1.00 0.00 H new ATOM 0 HA2 GLY A 830 5.831 -10.866 3.428 1.00 0.00 H new ATOM 0 HA3 GLY A 830 6.477 -10.824 5.056 1.00 0.00 H new