USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=24 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 801 CYS SG : rot 157:sc= -0.899 USER MOD Set 1.2: A 803 CYS SG : rot -77:sc= 0.484 USER MOD Set 1.3: A 805 ASN : amide:sc= 2.14 K(o=5.4,f=0.93!) USER MOD Set 1.4: A 818 CYS SG : rot 139:sc= 2.84 USER MOD Set 1.5: A 819 SER OG : rot 81:sc= 0.496 USER MOD Set 1.6: A 820 THR OG1 : rot 180:sc= 0 USER MOD Set 1.7: A 821 CYS SG : rot -44:sc= 0.295 USER MOD Set 2.1: A 768 CYS SG : rot 170:sc= -0.0999 USER MOD Set 2.2: A 771 CYS SG : rot 90:sc= 0.0338 USER MOD Set 2.3: A 773 TYR OH : rot 180:sc= 0.691 USER MOD Set 2.4: A 779 LYS NZ :NH3+ -132:sc= 2.04 (180deg=-1.03) USER MOD Set 2.5: A 781 THR OG1 : rot -175:sc= 0.798 USER MOD Set 2.6: A 782 CYS SG : rot -63:sc= 1.83 USER MOD Set 2.7: A 787 HIS : no HD1:sc= 0.709 K(o=6,f=2.9) USER MOD Set 3.1: A 767 THR OG1 : rot 93:sc= 1.37 USER MOD Set 3.2: A 774 THR OG1 : rot -71:sc= 0.678 USER MOD Set 3.3: A 792 HIS : no HE2:sc= 0.344 K(o=2.4,f=-0.62) USER MOD Set 4.1: A 763 CYS SG : rot -71:sc= -0.0479 USER MOD Set 4.2: A 796 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 761 GLN : amide:sc= 0 X(o=0,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+ 172:sc= 0 (180deg=-0.0461) USER MOD Single : A 775 HIS : no HD1:sc= -0.103 K(o=-0.1,f=-1.1) USER MOD Single : A 777 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 784 SER OG : rot 88:sc= 0.017 USER MOD Single : A 786 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 790 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 793 ASN : amide:sc= 0.798 K(o=0.8,f=-4.9!) USER MOD Single : A 800 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 807 THR OG1 : rot 180:sc= 0.0545 USER MOD Single : A 809 SER OG : rot 180:sc= -0.0377 USER MOD Single : A 815 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 816 LYS NZ :NH3+ -175:sc= 0.904 (180deg=0.89) USER MOD Single : A 817 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 825 LYS NZ :NH3+ -121:sc= 0.0228 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 112 N ARG A 759 8.844 -9.561 -1.367 1.00 0.00 N ATOM 113 CA ARG A 759 8.463 -10.556 -0.343 1.00 0.00 C ATOM 114 C ARG A 759 7.641 -11.762 -0.861 1.00 0.00 C ATOM 115 O ARG A 759 7.150 -12.556 -0.064 1.00 0.00 O ATOM 116 CB ARG A 759 7.751 -9.841 0.820 1.00 0.00 C ATOM 117 CG ARG A 759 6.312 -9.423 0.449 1.00 0.00 C ATOM 118 CD ARG A 759 5.608 -8.609 1.542 1.00 0.00 C ATOM 119 NE ARG A 759 4.143 -8.676 1.354 1.00 0.00 N ATOM 120 CZ ARG A 759 3.209 -8.453 2.268 1.00 0.00 C ATOM 121 NH1 ARG A 759 3.501 -8.045 3.486 1.00 0.00 N ATOM 122 NH2 ARG A 759 1.947 -8.647 1.954 1.00 0.00 N ATOM 0 HA ARG A 759 9.392 -11.010 0.001 1.00 0.00 H new ATOM 0 HB2 ARG A 759 7.725 -10.499 1.688 1.00 0.00 H new ATOM 0 HB3 ARG A 759 8.322 -8.958 1.107 1.00 0.00 H new ATOM 0 HG2 ARG A 759 6.338 -8.836 -0.469 1.00 0.00 H new ATOM 0 HG3 ARG A 759 5.725 -10.317 0.239 1.00 0.00 H new ATOM 0 HD2 ARG A 759 5.875 -8.996 2.525 1.00 0.00 H new ATOM 0 HD3 ARG A 759 5.941 -7.572 1.507 1.00 0.00 H new ATOM 0 HE ARG A 759 3.815 -8.920 0.419 1.00 0.00 H new ATOM 0 HH11 ARG A 759 4.473 -7.890 3.753 1.00 0.00 H new ATOM 0 HH12 ARG A 759 2.755 -7.884 4.162 1.00 0.00 H new ATOM 0 HH21 ARG A 759 1.698 -8.965 1.017 1.00 0.00 H new ATOM 0 HH22 ARG A 759 1.217 -8.480 2.647 1.00 0.00 H new ATOM 136 N GLU A 760 7.470 -11.894 -2.172 1.00 0.00 N ATOM 137 CA GLU A 760 6.966 -13.084 -2.863 1.00 0.00 C ATOM 138 C GLU A 760 7.802 -13.269 -4.137 1.00 0.00 C ATOM 139 O GLU A 760 8.153 -12.295 -4.809 1.00 0.00 O ATOM 140 CB GLU A 760 5.452 -13.004 -3.129 1.00 0.00 C ATOM 141 CG GLU A 760 4.923 -11.695 -3.750 1.00 0.00 C ATOM 142 CD GLU A 760 3.782 -11.105 -2.911 1.00 0.00 C ATOM 143 OE1 GLU A 760 2.615 -11.515 -3.101 1.00 0.00 O ATOM 144 OE2 GLU A 760 4.035 -10.218 -2.062 1.00 0.00 O ATOM 0 H GLU A 760 7.690 -11.136 -2.819 1.00 0.00 H new ATOM 0 HA GLU A 760 7.079 -13.966 -2.233 1.00 0.00 H new ATOM 0 HB2 GLU A 760 5.179 -13.828 -3.789 1.00 0.00 H new ATOM 0 HB3 GLU A 760 4.932 -13.166 -2.185 1.00 0.00 H new ATOM 0 HG2 GLU A 760 5.734 -10.971 -3.825 1.00 0.00 H new ATOM 0 HG3 GLU A 760 4.571 -11.886 -4.764 1.00 0.00 H new ATOM 151 N GLN A 761 8.216 -14.507 -4.408 1.00 0.00 N ATOM 152 CA GLN A 761 9.484 -14.785 -5.094 1.00 0.00 C ATOM 153 C GLN A 761 9.362 -15.858 -6.189 1.00 0.00 C ATOM 154 O GLN A 761 8.653 -16.853 -6.034 1.00 0.00 O ATOM 155 CB GLN A 761 10.543 -15.164 -4.042 1.00 0.00 C ATOM 156 CG GLN A 761 10.194 -16.412 -3.223 1.00 0.00 C ATOM 157 CD GLN A 761 11.224 -16.680 -2.123 1.00 0.00 C ATOM 158 OE1 GLN A 761 12.113 -17.511 -2.253 1.00 0.00 O ATOM 159 NE2 GLN A 761 11.159 -15.994 -1.000 1.00 0.00 N ATOM 0 H GLN A 761 7.687 -15.343 -4.161 1.00 0.00 H new ATOM 0 HA GLN A 761 9.790 -13.880 -5.620 1.00 0.00 H new ATOM 0 HB2 GLN A 761 11.496 -15.327 -4.545 1.00 0.00 H new ATOM 0 HB3 GLN A 761 10.681 -14.323 -3.362 1.00 0.00 H new ATOM 0 HG2 GLN A 761 9.208 -16.288 -2.775 1.00 0.00 H new ATOM 0 HG3 GLN A 761 10.137 -17.276 -3.885 1.00 0.00 H new ATOM 0 HE21 GLN A 761 10.426 -15.296 -0.870 1.00 0.00 H new ATOM 0 HE22 GLN A 761 11.841 -16.161 -0.260 1.00 0.00 H new ATOM 168 N SER A 762 10.083 -15.661 -7.293 1.00 0.00 N ATOM 169 CA SER A 762 10.046 -16.551 -8.463 1.00 0.00 C ATOM 170 C SER A 762 10.573 -17.963 -8.152 1.00 0.00 C ATOM 171 O SER A 762 11.542 -18.135 -7.402 1.00 0.00 O ATOM 172 CB SER A 762 10.829 -15.944 -9.636 1.00 0.00 C ATOM 173 OG SER A 762 10.378 -14.629 -9.938 1.00 0.00 O ATOM 0 H SER A 762 10.718 -14.871 -7.405 1.00 0.00 H new ATOM 0 HA SER A 762 8.997 -16.650 -8.742 1.00 0.00 H new ATOM 0 HB2 SER A 762 11.891 -15.919 -9.392 1.00 0.00 H new ATOM 0 HB3 SER A 762 10.719 -16.579 -10.515 1.00 0.00 H new ATOM 0 HG SER A 762 10.897 -14.269 -10.688 1.00 0.00 H new ATOM 179 N CYS A 763 9.943 -18.983 -8.742 1.00 0.00 N ATOM 180 CA CYS A 763 10.188 -20.404 -8.450 1.00 0.00 C ATOM 181 C CYS A 763 9.850 -21.300 -9.661 1.00 0.00 C ATOM 182 O CYS A 763 9.103 -20.889 -10.556 1.00 0.00 O ATOM 183 CB CYS A 763 9.345 -20.749 -7.204 1.00 0.00 C ATOM 184 SG CYS A 763 9.859 -22.326 -6.455 1.00 0.00 S ATOM 0 H CYS A 763 9.228 -18.842 -9.456 1.00 0.00 H new ATOM 0 HA CYS A 763 11.244 -20.588 -8.251 1.00 0.00 H new ATOM 0 HB2 CYS A 763 9.439 -19.950 -6.469 1.00 0.00 H new ATOM 0 HB3 CYS A 763 8.292 -20.804 -7.481 1.00 0.00 H new ATOM 0 HG CYS A 763 9.498 -23.310 -7.224 1.00 0.00 H new ATOM 190 N ARG A 764 10.386 -22.528 -9.691 1.00 0.00 N ATOM 191 CA ARG A 764 10.033 -23.565 -10.665 1.00 0.00 C ATOM 192 C ARG A 764 8.821 -24.369 -10.168 1.00 0.00 C ATOM 193 O ARG A 764 8.696 -24.659 -8.978 1.00 0.00 O ATOM 194 CB ARG A 764 11.265 -24.433 -10.978 1.00 0.00 C ATOM 195 CG ARG A 764 10.983 -25.509 -12.045 1.00 0.00 C ATOM 196 CD ARG A 764 12.168 -25.779 -12.977 1.00 0.00 C ATOM 197 NE ARG A 764 12.399 -24.661 -13.907 1.00 0.00 N ATOM 198 CZ ARG A 764 13.413 -24.549 -14.761 1.00 0.00 C ATOM 199 NH1 ARG A 764 14.354 -25.469 -14.864 1.00 0.00 N ATOM 200 NH2 ARG A 764 13.487 -23.493 -15.538 1.00 0.00 N ATOM 0 H ARG A 764 11.093 -22.833 -9.022 1.00 0.00 H new ATOM 0 HA ARG A 764 9.729 -23.109 -11.607 1.00 0.00 H new ATOM 0 HB2 ARG A 764 12.077 -23.792 -11.321 1.00 0.00 H new ATOM 0 HB3 ARG A 764 11.605 -24.916 -10.062 1.00 0.00 H new ATOM 0 HG2 ARG A 764 10.705 -26.438 -11.547 1.00 0.00 H new ATOM 0 HG3 ARG A 764 10.126 -25.199 -12.643 1.00 0.00 H new ATOM 0 HD2 ARG A 764 13.066 -25.949 -12.383 1.00 0.00 H new ATOM 0 HD3 ARG A 764 11.984 -26.691 -13.544 1.00 0.00 H new ATOM 0 HE ARG A 764 11.718 -23.902 -13.895 1.00 0.00 H new ATOM 0 HH11 ARG A 764 14.319 -26.302 -14.276 1.00 0.00 H new ATOM 0 HH12 ARG A 764 15.116 -25.347 -15.531 1.00 0.00 H new ATOM 0 HH21 ARG A 764 12.771 -22.768 -15.483 1.00 0.00 H new ATOM 0 HH22 ARG A 764 14.260 -23.397 -16.196 1.00 0.00 H new ATOM 214 N VAL A 765 7.914 -24.674 -11.090 1.00 0.00 N ATOM 215 CA VAL A 765 6.579 -25.246 -10.853 1.00 0.00 C ATOM 216 C VAL A 765 6.243 -26.295 -11.920 1.00 0.00 C ATOM 217 O VAL A 765 6.942 -26.420 -12.930 1.00 0.00 O ATOM 218 CB VAL A 765 5.490 -24.142 -10.804 1.00 0.00 C ATOM 219 CG1 VAL A 765 5.584 -23.279 -9.533 1.00 0.00 C ATOM 220 CG2 VAL A 765 5.540 -23.211 -12.022 1.00 0.00 C ATOM 0 H VAL A 765 8.094 -24.523 -12.082 1.00 0.00 H new ATOM 0 HA VAL A 765 6.595 -25.737 -9.880 1.00 0.00 H new ATOM 0 HB VAL A 765 4.544 -24.684 -10.804 1.00 0.00 H new ATOM 0 HG11 VAL A 765 4.800 -22.522 -9.548 1.00 0.00 H new ATOM 0 HG12 VAL A 765 5.461 -23.911 -8.654 1.00 0.00 H new ATOM 0 HG13 VAL A 765 6.558 -22.791 -9.495 1.00 0.00 H new ATOM 0 HG21 VAL A 765 4.757 -22.458 -11.937 1.00 0.00 H new ATOM 0 HG22 VAL A 765 6.512 -22.720 -12.065 1.00 0.00 H new ATOM 0 HG23 VAL A 765 5.386 -23.793 -12.931 1.00 0.00 H new ATOM 230 N VAL A 766 5.178 -27.061 -11.692 1.00 0.00 N ATOM 231 CA VAL A 766 4.734 -28.174 -12.543 1.00 0.00 C ATOM 232 C VAL A 766 3.208 -28.219 -12.617 1.00 0.00 C ATOM 233 O VAL A 766 2.530 -28.078 -11.596 1.00 0.00 O ATOM 234 CB VAL A 766 5.318 -29.516 -12.039 1.00 0.00 C ATOM 235 CG1 VAL A 766 4.982 -29.836 -10.572 1.00 0.00 C ATOM 236 CG2 VAL A 766 4.914 -30.719 -12.899 1.00 0.00 C ATOM 0 H VAL A 766 4.575 -26.922 -10.881 1.00 0.00 H new ATOM 0 HA VAL A 766 5.110 -28.010 -13.553 1.00 0.00 H new ATOM 0 HB VAL A 766 6.393 -29.359 -12.123 1.00 0.00 H new ATOM 0 HG11 VAL A 766 5.428 -30.792 -10.297 1.00 0.00 H new ATOM 0 HG12 VAL A 766 5.380 -29.052 -9.928 1.00 0.00 H new ATOM 0 HG13 VAL A 766 3.900 -29.892 -10.450 1.00 0.00 H new ATOM 0 HG21 VAL A 766 5.358 -31.626 -12.488 1.00 0.00 H new ATOM 0 HG22 VAL A 766 3.828 -30.816 -12.902 1.00 0.00 H new ATOM 0 HG23 VAL A 766 5.268 -30.572 -13.919 1.00 0.00 H new ATOM 246 N THR A 767 2.679 -28.416 -13.829 1.00 0.00 N ATOM 247 CA THR A 767 1.251 -28.573 -14.113 1.00 0.00 C ATOM 248 C THR A 767 0.960 -29.984 -14.598 1.00 0.00 C ATOM 249 O THR A 767 1.478 -30.383 -15.641 1.00 0.00 O ATOM 250 CB THR A 767 0.805 -27.525 -15.143 1.00 0.00 C ATOM 251 OG1 THR A 767 0.879 -26.258 -14.536 1.00 0.00 O ATOM 252 CG2 THR A 767 -0.644 -27.682 -15.616 1.00 0.00 C ATOM 0 H THR A 767 3.255 -28.472 -14.669 1.00 0.00 H new ATOM 0 HA THR A 767 0.683 -28.413 -13.197 1.00 0.00 H new ATOM 0 HB THR A 767 1.460 -27.651 -16.005 1.00 0.00 H new ATOM 0 HG1 THR A 767 1.756 -25.859 -14.717 1.00 0.00 H new ATOM 0 HG21 THR A 767 -0.877 -26.902 -16.341 1.00 0.00 H new ATOM 0 HG22 THR A 767 -0.771 -28.660 -16.081 1.00 0.00 H new ATOM 0 HG23 THR A 767 -1.317 -27.596 -14.763 1.00 0.00 H new ATOM 260 N CYS A 768 0.116 -30.723 -13.866 1.00 0.00 N ATOM 261 CA CYS A 768 -0.433 -32.009 -14.301 1.00 0.00 C ATOM 262 C CYS A 768 -1.554 -31.765 -15.325 1.00 0.00 C ATOM 263 O CYS A 768 -2.563 -31.106 -15.043 1.00 0.00 O ATOM 264 CB CYS A 768 -0.907 -32.822 -13.081 1.00 0.00 C ATOM 265 SG CYS A 768 -1.449 -34.498 -13.584 1.00 0.00 S ATOM 0 H CYS A 768 -0.208 -30.438 -12.942 1.00 0.00 H new ATOM 0 HA CYS A 768 0.338 -32.602 -14.794 1.00 0.00 H new ATOM 0 HB2 CYS A 768 -0.098 -32.900 -12.354 1.00 0.00 H new ATOM 0 HB3 CYS A 768 -1.729 -32.302 -12.589 1.00 0.00 H new ATOM 0 HG CYS A 768 -1.635 -35.230 -12.526 1.00 0.00 H new ATOM 270 N LYS A 769 -1.374 -32.301 -16.527 1.00 0.00 N ATOM 271 CA LYS A 769 -2.297 -32.146 -17.650 1.00 0.00 C ATOM 272 C LYS A 769 -3.509 -33.096 -17.555 1.00 0.00 C ATOM 273 O LYS A 769 -4.446 -32.960 -18.346 1.00 0.00 O ATOM 274 CB LYS A 769 -1.515 -32.369 -18.964 1.00 0.00 C ATOM 275 CG LYS A 769 -0.251 -31.499 -19.151 1.00 0.00 C ATOM 276 CD LYS A 769 -0.505 -29.982 -19.164 1.00 0.00 C ATOM 277 CE LYS A 769 -1.380 -29.573 -20.359 1.00 0.00 C ATOM 278 NZ LYS A 769 -1.603 -28.105 -20.409 1.00 0.00 N ATOM 0 H LYS A 769 -0.560 -32.872 -16.755 1.00 0.00 H new ATOM 0 HA LYS A 769 -2.707 -31.136 -17.626 1.00 0.00 H new ATOM 0 HB2 LYS A 769 -1.222 -33.418 -19.017 1.00 0.00 H new ATOM 0 HB3 LYS A 769 -2.188 -32.183 -19.801 1.00 0.00 H new ATOM 0 HG2 LYS A 769 0.452 -31.728 -18.350 1.00 0.00 H new ATOM 0 HG3 LYS A 769 0.231 -31.780 -20.088 1.00 0.00 H new ATOM 0 HD2 LYS A 769 -0.992 -29.685 -18.235 1.00 0.00 H new ATOM 0 HD3 LYS A 769 0.446 -29.452 -19.209 1.00 0.00 H new ATOM 0 HE2 LYS A 769 -0.905 -29.899 -21.284 1.00 0.00 H new ATOM 0 HE3 LYS A 769 -2.341 -30.084 -20.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 769 -2.198 -27.872 -21.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 769 -2.079 -27.796 -19.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 769 -0.688 -27.618 -20.495 1.00 0.00 H new ATOM 292 N THR A 770 -3.508 -34.032 -16.594 1.00 0.00 N ATOM 293 CA THR A 770 -4.630 -34.946 -16.316 1.00 0.00 C ATOM 294 C THR A 770 -5.584 -34.331 -15.290 1.00 0.00 C ATOM 295 O THR A 770 -6.795 -34.317 -15.534 1.00 0.00 O ATOM 296 CB THR A 770 -4.100 -36.305 -15.845 1.00 0.00 C ATOM 297 OG1 THR A 770 -3.265 -36.848 -16.855 1.00 0.00 O ATOM 298 CG2 THR A 770 -5.215 -37.322 -15.595 1.00 0.00 C ATOM 0 H THR A 770 -2.711 -34.179 -15.975 1.00 0.00 H new ATOM 0 HA THR A 770 -5.194 -35.104 -17.236 1.00 0.00 H new ATOM 0 HB THR A 770 -3.569 -36.129 -14.910 1.00 0.00 H new ATOM 0 HG1 THR A 770 -2.920 -37.717 -16.562 1.00 0.00 H new ATOM 0 HG21 THR A 770 -4.780 -38.265 -15.264 1.00 0.00 H new ATOM 0 HG22 THR A 770 -5.888 -36.943 -14.826 1.00 0.00 H new ATOM 0 HG23 THR A 770 -5.773 -37.484 -16.517 1.00 0.00 H new ATOM 306 N CYS A 771 -5.058 -33.793 -14.181 1.00 0.00 N ATOM 307 CA CYS A 771 -5.850 -33.304 -13.041 1.00 0.00 C ATOM 308 C CYS A 771 -6.107 -31.772 -13.060 1.00 0.00 C ATOM 309 O CYS A 771 -7.024 -31.300 -12.379 1.00 0.00 O ATOM 310 CB CYS A 771 -5.122 -33.692 -11.746 1.00 0.00 C ATOM 311 SG CYS A 771 -4.872 -35.502 -11.603 1.00 0.00 S ATOM 0 H CYS A 771 -4.053 -33.683 -14.047 1.00 0.00 H new ATOM 0 HA CYS A 771 -6.833 -33.770 -13.107 1.00 0.00 H new ATOM 0 HB2 CYS A 771 -4.155 -33.190 -11.711 1.00 0.00 H new ATOM 0 HB3 CYS A 771 -5.696 -33.338 -10.889 1.00 0.00 H new ATOM 0 HG CYS A 771 -3.735 -35.827 -12.142 1.00 0.00 H new ATOM 316 N LYS A 772 -5.308 -31.009 -13.820 1.00 0.00 N ATOM 317 CA LYS A 772 -5.458 -29.562 -14.078 1.00 0.00 C ATOM 318 C LYS A 772 -5.091 -28.657 -12.875 1.00 0.00 C ATOM 319 O LYS A 772 -5.707 -27.604 -12.655 1.00 0.00 O ATOM 320 CB LYS A 772 -6.837 -29.231 -14.706 1.00 0.00 C ATOM 321 CG LYS A 772 -7.226 -30.085 -15.924 1.00 0.00 C ATOM 322 CD LYS A 772 -6.151 -30.088 -17.020 1.00 0.00 C ATOM 323 CE LYS A 772 -6.625 -30.794 -18.300 1.00 0.00 C ATOM 324 NZ LYS A 772 -7.699 -30.049 -19.013 1.00 0.00 N ATOM 0 H LYS A 772 -4.497 -31.401 -14.298 1.00 0.00 H new ATOM 0 HA LYS A 772 -4.704 -29.313 -14.825 1.00 0.00 H new ATOM 0 HB2 LYS A 772 -7.604 -29.349 -13.941 1.00 0.00 H new ATOM 0 HB3 LYS A 772 -6.841 -28.182 -15.002 1.00 0.00 H new ATOM 0 HG2 LYS A 772 -7.409 -31.109 -15.599 1.00 0.00 H new ATOM 0 HG3 LYS A 772 -8.161 -29.710 -16.340 1.00 0.00 H new ATOM 0 HD2 LYS A 772 -5.873 -29.061 -17.256 1.00 0.00 H new ATOM 0 HD3 LYS A 772 -5.255 -30.583 -16.645 1.00 0.00 H new ATOM 0 HE2 LYS A 772 -5.776 -30.927 -18.971 1.00 0.00 H new ATOM 0 HE3 LYS A 772 -6.989 -31.790 -18.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 772 -7.882 -30.499 -19.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 772 -8.568 -30.061 -18.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 772 -7.398 -29.065 -19.164 1.00 0.00 H new ATOM 338 N TYR A 773 -4.078 -29.052 -12.091 1.00 0.00 N ATOM 339 CA TYR A 773 -3.476 -28.232 -11.018 1.00 0.00 C ATOM 340 C TYR A 773 -2.089 -27.695 -11.404 1.00 0.00 C ATOM 341 O TYR A 773 -1.430 -28.279 -12.265 1.00 0.00 O ATOM 342 CB TYR A 773 -3.387 -29.042 -9.711 1.00 0.00 C ATOM 343 CG TYR A 773 -2.390 -30.184 -9.696 1.00 0.00 C ATOM 344 CD1 TYR A 773 -1.011 -29.941 -9.519 1.00 0.00 C ATOM 345 CD2 TYR A 773 -2.842 -31.506 -9.829 1.00 0.00 C ATOM 346 CE1 TYR A 773 -0.093 -31.003 -9.475 1.00 0.00 C ATOM 347 CE2 TYR A 773 -1.938 -32.579 -9.723 1.00 0.00 C ATOM 348 CZ TYR A 773 -0.554 -32.335 -9.555 1.00 0.00 C ATOM 349 OH TYR A 773 0.329 -33.369 -9.441 1.00 0.00 O ATOM 0 H TYR A 773 -3.642 -29.969 -12.183 1.00 0.00 H new ATOM 0 HA TYR A 773 -4.127 -27.371 -10.867 1.00 0.00 H new ATOM 0 HB2 TYR A 773 -3.136 -28.358 -8.901 1.00 0.00 H new ATOM 0 HB3 TYR A 773 -4.375 -29.447 -9.491 1.00 0.00 H new ATOM 0 HD1 TYR A 773 -0.657 -28.926 -9.416 1.00 0.00 H new ATOM 0 HD2 TYR A 773 -3.888 -31.701 -10.013 1.00 0.00 H new ATOM 0 HE1 TYR A 773 0.964 -30.801 -9.380 1.00 0.00 H new ATOM 0 HE2 TYR A 773 -2.302 -33.595 -9.770 1.00 0.00 H new ATOM 0 HH TYR A 773 -0.152 -34.220 -9.517 1.00 0.00 H new ATOM 359 N THR A 774 -1.612 -26.654 -10.702 1.00 0.00 N ATOM 360 CA THR A 774 -0.216 -26.188 -10.734 1.00 0.00 C ATOM 361 C THR A 774 0.331 -26.181 -9.308 1.00 0.00 C ATOM 362 O THR A 774 -0.207 -25.493 -8.448 1.00 0.00 O ATOM 363 CB THR A 774 -0.107 -24.785 -11.343 1.00 0.00 C ATOM 364 OG1 THR A 774 -0.735 -24.757 -12.612 1.00 0.00 O ATOM 365 CG2 THR A 774 1.354 -24.347 -11.507 1.00 0.00 C ATOM 0 H THR A 774 -2.201 -26.099 -10.081 1.00 0.00 H new ATOM 0 HA THR A 774 0.366 -26.864 -11.360 1.00 0.00 H new ATOM 0 HB THR A 774 -0.602 -24.096 -10.658 1.00 0.00 H new ATOM 0 HG1 THR A 774 -0.193 -25.259 -13.256 1.00 0.00 H new ATOM 0 HG21 THR A 774 1.388 -23.348 -11.942 1.00 0.00 H new ATOM 0 HG22 THR A 774 1.842 -24.336 -10.532 1.00 0.00 H new ATOM 0 HG23 THR A 774 1.872 -25.046 -12.164 1.00 0.00 H new ATOM 373 N HIS A 775 1.405 -26.932 -9.070 1.00 0.00 N ATOM 374 CA HIS A 775 2.134 -26.998 -7.791 1.00 0.00 C ATOM 375 C HIS A 775 3.648 -26.786 -8.017 1.00 0.00 C ATOM 376 O HIS A 775 4.116 -26.762 -9.158 1.00 0.00 O ATOM 377 CB HIS A 775 1.890 -28.368 -7.126 1.00 0.00 C ATOM 378 CG HIS A 775 0.487 -28.647 -6.623 1.00 0.00 C ATOM 379 ND1 HIS A 775 -0.054 -29.901 -6.433 1.00 0.00 N ATOM 380 CD2 HIS A 775 -0.454 -27.744 -6.201 1.00 0.00 C ATOM 381 CE1 HIS A 775 -1.296 -29.755 -5.949 1.00 0.00 C ATOM 382 NE2 HIS A 775 -1.591 -28.453 -5.779 1.00 0.00 N ATOM 0 H HIS A 775 1.811 -27.536 -9.785 1.00 0.00 H new ATOM 0 HA HIS A 775 1.768 -26.206 -7.138 1.00 0.00 H new ATOM 0 HB2 HIS A 775 2.154 -29.145 -7.844 1.00 0.00 H new ATOM 0 HB3 HIS A 775 2.577 -28.464 -6.285 1.00 0.00 H new ATOM 0 HD2 HIS A 775 -0.341 -26.670 -6.194 1.00 0.00 H new ATOM 0 HE1 HIS A 775 -1.968 -30.571 -5.726 1.00 0.00 H new ATOM 0 HE2 HIS A 775 -2.461 -28.062 -5.418 1.00 0.00 H new ATOM 390 N PHE A 776 4.433 -26.674 -6.941 1.00 0.00 N ATOM 391 CA PHE A 776 5.903 -26.600 -7.000 1.00 0.00 C ATOM 392 C PHE A 776 6.518 -27.926 -7.491 1.00 0.00 C ATOM 393 O PHE A 776 7.484 -27.925 -8.254 1.00 0.00 O ATOM 394 CB PHE A 776 6.485 -26.219 -5.619 1.00 0.00 C ATOM 395 CG PHE A 776 5.599 -25.364 -4.728 1.00 0.00 C ATOM 396 CD1 PHE A 776 5.507 -23.968 -4.910 1.00 0.00 C ATOM 397 CD2 PHE A 776 4.824 -25.990 -3.733 1.00 0.00 C ATOM 398 CE1 PHE A 776 4.623 -23.218 -4.117 1.00 0.00 C ATOM 399 CE2 PHE A 776 3.953 -25.234 -2.933 1.00 0.00 C ATOM 400 CZ PHE A 776 3.841 -23.847 -3.128 1.00 0.00 C ATOM 0 H PHE A 776 4.064 -26.631 -5.991 1.00 0.00 H new ATOM 0 HA PHE A 776 6.164 -25.823 -7.719 1.00 0.00 H new ATOM 0 HB2 PHE A 776 6.724 -27.138 -5.083 1.00 0.00 H new ATOM 0 HB3 PHE A 776 7.424 -25.689 -5.778 1.00 0.00 H new ATOM 0 HD1 PHE A 776 6.114 -23.478 -5.657 1.00 0.00 H new ATOM 0 HD2 PHE A 776 4.900 -27.057 -3.585 1.00 0.00 H new ATOM 0 HE1 PHE A 776 4.542 -22.151 -4.266 1.00 0.00 H new ATOM 0 HE2 PHE A 776 3.368 -25.719 -2.166 1.00 0.00 H new ATOM 0 HZ PHE A 776 3.160 -23.267 -2.524 1.00 0.00 H new ATOM 410 N LYS A 777 5.948 -29.055 -7.051 1.00 0.00 N ATOM 411 CA LYS A 777 6.375 -30.435 -7.349 1.00 0.00 C ATOM 412 C LYS A 777 5.146 -31.349 -7.584 1.00 0.00 C ATOM 413 O LYS A 777 4.058 -31.024 -7.082 1.00 0.00 O ATOM 414 CB LYS A 777 7.211 -30.957 -6.164 1.00 0.00 C ATOM 415 CG LYS A 777 8.505 -30.160 -5.940 1.00 0.00 C ATOM 416 CD LYS A 777 9.302 -30.757 -4.776 1.00 0.00 C ATOM 417 CE LYS A 777 10.537 -29.892 -4.490 1.00 0.00 C ATOM 418 NZ LYS A 777 11.349 -30.451 -3.379 1.00 0.00 N ATOM 0 H LYS A 777 5.130 -29.032 -6.443 1.00 0.00 H new ATOM 0 HA LYS A 777 6.975 -30.443 -8.259 1.00 0.00 H new ATOM 0 HB2 LYS A 777 6.607 -30.920 -5.257 1.00 0.00 H new ATOM 0 HB3 LYS A 777 7.462 -32.004 -6.337 1.00 0.00 H new ATOM 0 HG2 LYS A 777 9.109 -30.172 -6.847 1.00 0.00 H new ATOM 0 HG3 LYS A 777 8.266 -29.118 -5.729 1.00 0.00 H new ATOM 0 HD2 LYS A 777 8.675 -30.816 -3.887 1.00 0.00 H new ATOM 0 HD3 LYS A 777 9.608 -31.775 -5.018 1.00 0.00 H new ATOM 0 HE2 LYS A 777 11.149 -29.821 -5.389 1.00 0.00 H new ATOM 0 HE3 LYS A 777 10.222 -28.879 -4.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 777 12.175 -29.842 -3.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 777 10.772 -30.495 -2.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 777 11.669 -31.408 -3.631 1.00 0.00 H new ATOM 432 N PRO A 778 5.277 -32.481 -8.315 1.00 0.00 N ATOM 433 CA PRO A 778 4.148 -33.356 -8.614 1.00 0.00 C ATOM 434 C PRO A 778 3.813 -34.231 -7.401 1.00 0.00 C ATOM 435 O PRO A 778 4.687 -34.574 -6.603 1.00 0.00 O ATOM 436 CB PRO A 778 4.582 -34.175 -9.826 1.00 0.00 C ATOM 437 CG PRO A 778 6.092 -34.300 -9.640 1.00 0.00 C ATOM 438 CD PRO A 778 6.484 -32.984 -8.957 1.00 0.00 C ATOM 0 HA PRO A 778 3.235 -32.803 -8.834 1.00 0.00 H new ATOM 0 HB2 PRO A 778 4.097 -35.151 -9.847 1.00 0.00 H new ATOM 0 HB3 PRO A 778 4.332 -33.674 -10.761 1.00 0.00 H new ATOM 0 HG2 PRO A 778 6.350 -35.162 -9.025 1.00 0.00 H new ATOM 0 HG3 PRO A 778 6.604 -34.424 -10.594 1.00 0.00 H new ATOM 0 HD2 PRO A 778 7.275 -33.147 -8.225 1.00 0.00 H new ATOM 0 HD3 PRO A 778 6.865 -32.267 -9.684 1.00 0.00 H new ATOM 446 N LYS A 779 2.541 -34.616 -7.272 1.00 0.00 N ATOM 447 CA LYS A 779 2.079 -35.528 -6.217 1.00 0.00 C ATOM 448 C LYS A 779 2.702 -36.929 -6.360 1.00 0.00 C ATOM 449 O LYS A 779 2.900 -37.428 -7.473 1.00 0.00 O ATOM 450 CB LYS A 779 0.544 -35.614 -6.273 1.00 0.00 C ATOM 451 CG LYS A 779 -0.151 -34.334 -5.786 1.00 0.00 C ATOM 452 CD LYS A 779 -1.583 -34.150 -6.312 1.00 0.00 C ATOM 453 CE LYS A 779 -2.592 -35.271 -6.002 1.00 0.00 C ATOM 454 NZ LYS A 779 -2.409 -36.473 -6.862 1.00 0.00 N ATOM 0 H LYS A 779 1.798 -34.304 -7.897 1.00 0.00 H new ATOM 0 HA LYS A 779 2.397 -35.135 -5.251 1.00 0.00 H new ATOM 0 HB2 LYS A 779 0.235 -35.820 -7.298 1.00 0.00 H new ATOM 0 HB3 LYS A 779 0.211 -36.455 -5.664 1.00 0.00 H new ATOM 0 HG2 LYS A 779 -0.175 -34.340 -4.696 1.00 0.00 H new ATOM 0 HG3 LYS A 779 0.447 -33.474 -6.087 1.00 0.00 H new ATOM 0 HD2 LYS A 779 -1.976 -33.218 -5.905 1.00 0.00 H new ATOM 0 HD3 LYS A 779 -1.533 -34.029 -7.394 1.00 0.00 H new ATOM 0 HE2 LYS A 779 -2.494 -35.561 -4.956 1.00 0.00 H new ATOM 0 HE3 LYS A 779 -3.604 -34.888 -6.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 779 -3.329 -36.767 -7.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 779 -1.763 -36.245 -7.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 779 -2.007 -37.247 -6.296 1.00 0.00 H new ATOM 468 N GLU A 780 2.930 -37.620 -5.241 1.00 0.00 N ATOM 469 CA GLU A 780 3.443 -39.002 -5.238 1.00 0.00 C ATOM 470 C GLU A 780 2.499 -39.958 -5.989 1.00 0.00 C ATOM 471 O GLU A 780 2.958 -40.817 -6.740 1.00 0.00 O ATOM 472 CB GLU A 780 3.679 -39.485 -3.801 1.00 0.00 C ATOM 473 CG GLU A 780 4.813 -38.728 -3.098 1.00 0.00 C ATOM 474 CD GLU A 780 5.067 -39.294 -1.697 1.00 0.00 C ATOM 475 OE1 GLU A 780 4.424 -38.829 -0.726 1.00 0.00 O ATOM 476 OE2 GLU A 780 5.906 -40.216 -1.557 1.00 0.00 O ATOM 0 H GLU A 780 2.766 -37.242 -4.308 1.00 0.00 H new ATOM 0 HA GLU A 780 4.397 -39.004 -5.766 1.00 0.00 H new ATOM 0 HB2 GLU A 780 2.760 -39.367 -3.227 1.00 0.00 H new ATOM 0 HB3 GLU A 780 3.912 -40.550 -3.814 1.00 0.00 H new ATOM 0 HG2 GLU A 780 5.724 -38.797 -3.692 1.00 0.00 H new ATOM 0 HG3 GLU A 780 4.559 -37.670 -3.026 1.00 0.00 H new ATOM 483 N THR A 781 1.181 -39.759 -5.873 1.00 0.00 N ATOM 484 CA THR A 781 0.154 -40.501 -6.620 1.00 0.00 C ATOM 485 C THR A 781 0.158 -40.179 -8.108 1.00 0.00 C ATOM 486 O THR A 781 0.033 -41.102 -8.905 1.00 0.00 O ATOM 487 CB THR A 781 -1.231 -40.272 -6.013 1.00 0.00 C ATOM 488 OG1 THR A 781 -1.386 -38.911 -5.651 1.00 0.00 O ATOM 489 CG2 THR A 781 -1.400 -41.127 -4.755 1.00 0.00 C ATOM 0 H THR A 781 0.787 -39.061 -5.242 1.00 0.00 H new ATOM 0 HA THR A 781 0.404 -41.558 -6.531 1.00 0.00 H new ATOM 0 HB THR A 781 -1.980 -40.547 -6.756 1.00 0.00 H new ATOM 0 HG1 THR A 781 -2.244 -38.790 -5.193 1.00 0.00 H new ATOM 0 HG21 THR A 781 -2.389 -40.957 -4.330 1.00 0.00 H new ATOM 0 HG22 THR A 781 -1.292 -42.180 -5.014 1.00 0.00 H new ATOM 0 HG23 THR A 781 -0.639 -40.853 -4.024 1.00 0.00 H new ATOM 497 N CYS A 782 0.401 -38.925 -8.507 1.00 0.00 N ATOM 498 CA CYS A 782 0.567 -38.545 -9.908 1.00 0.00 C ATOM 499 C CYS A 782 1.841 -39.154 -10.531 1.00 0.00 C ATOM 500 O CYS A 782 1.815 -39.591 -11.681 1.00 0.00 O ATOM 501 CB CYS A 782 0.561 -37.008 -10.013 1.00 0.00 C ATOM 502 SG CYS A 782 -1.123 -36.381 -9.706 1.00 0.00 S ATOM 0 H CYS A 782 0.488 -38.142 -7.859 1.00 0.00 H new ATOM 0 HA CYS A 782 -0.267 -38.949 -10.482 1.00 0.00 H new ATOM 0 HB2 CYS A 782 1.256 -36.581 -9.290 1.00 0.00 H new ATOM 0 HB3 CYS A 782 0.900 -36.700 -11.002 1.00 0.00 H new ATOM 0 HG CYS A 782 -1.925 -36.823 -10.628 1.00 0.00 H new ATOM 507 N VAL A 783 2.931 -39.231 -9.764 1.00 0.00 N ATOM 508 CA VAL A 783 4.170 -39.920 -10.167 1.00 0.00 C ATOM 509 C VAL A 783 3.946 -41.438 -10.292 1.00 0.00 C ATOM 510 O VAL A 783 4.329 -42.030 -11.303 1.00 0.00 O ATOM 511 CB VAL A 783 5.344 -39.592 -9.213 1.00 0.00 C ATOM 512 CG1 VAL A 783 6.595 -40.446 -9.489 1.00 0.00 C ATOM 513 CG2 VAL A 783 5.736 -38.108 -9.331 1.00 0.00 C ATOM 0 H VAL A 783 2.984 -38.814 -8.835 1.00 0.00 H new ATOM 0 HA VAL A 783 4.448 -39.546 -11.153 1.00 0.00 H new ATOM 0 HB VAL A 783 4.988 -39.819 -8.208 1.00 0.00 H new ATOM 0 HG11 VAL A 783 7.385 -40.171 -8.789 1.00 0.00 H new ATOM 0 HG12 VAL A 783 6.350 -41.501 -9.364 1.00 0.00 H new ATOM 0 HG13 VAL A 783 6.937 -40.271 -10.509 1.00 0.00 H new ATOM 0 HG21 VAL A 783 6.563 -37.895 -8.653 1.00 0.00 H new ATOM 0 HG22 VAL A 783 6.041 -37.893 -10.355 1.00 0.00 H new ATOM 0 HG23 VAL A 783 4.882 -37.484 -9.068 1.00 0.00 H new ATOM 523 N SER A 784 3.302 -42.079 -9.312 1.00 0.00 N ATOM 524 CA SER A 784 3.073 -43.526 -9.285 1.00 0.00 C ATOM 525 C SER A 784 2.011 -44.020 -10.289 1.00 0.00 C ATOM 526 O SER A 784 2.194 -45.082 -10.886 1.00 0.00 O ATOM 527 CB SER A 784 2.660 -43.926 -7.865 1.00 0.00 C ATOM 528 OG SER A 784 3.772 -43.873 -6.976 1.00 0.00 O ATOM 0 H SER A 784 2.918 -41.597 -8.499 1.00 0.00 H new ATOM 0 HA SER A 784 4.008 -44.000 -9.585 1.00 0.00 H new ATOM 0 HB2 SER A 784 1.874 -43.260 -7.510 1.00 0.00 H new ATOM 0 HB3 SER A 784 2.244 -44.934 -7.874 1.00 0.00 H new ATOM 0 HG SER A 784 3.856 -42.967 -6.611 1.00 0.00 H new ATOM 534 N GLU A 785 0.941 -43.256 -10.528 1.00 0.00 N ATOM 535 CA GLU A 785 -0.018 -43.510 -11.616 1.00 0.00 C ATOM 536 C GLU A 785 0.510 -43.067 -12.994 1.00 0.00 C ATOM 537 O GLU A 785 -0.089 -43.389 -14.023 1.00 0.00 O ATOM 538 CB GLU A 785 -1.355 -42.802 -11.338 1.00 0.00 C ATOM 539 CG GLU A 785 -2.106 -43.376 -10.129 1.00 0.00 C ATOM 540 CD GLU A 785 -3.433 -42.638 -9.877 1.00 0.00 C ATOM 541 OE1 GLU A 785 -4.101 -42.204 -10.850 1.00 0.00 O ATOM 542 OE2 GLU A 785 -3.839 -42.528 -8.693 1.00 0.00 O ATOM 0 H GLU A 785 0.711 -42.435 -9.968 1.00 0.00 H new ATOM 0 HA GLU A 785 -0.164 -44.590 -11.646 1.00 0.00 H new ATOM 0 HB2 GLU A 785 -1.169 -41.741 -11.171 1.00 0.00 H new ATOM 0 HB3 GLU A 785 -1.989 -42.879 -12.221 1.00 0.00 H new ATOM 0 HG2 GLU A 785 -2.305 -44.435 -10.294 1.00 0.00 H new ATOM 0 HG3 GLU A 785 -1.476 -43.304 -9.242 1.00 0.00 H new ATOM 549 N ASN A 786 1.628 -42.338 -13.026 1.00 0.00 N ATOM 550 CA ASN A 786 2.382 -41.964 -14.225 1.00 0.00 C ATOM 551 C ASN A 786 1.622 -40.953 -15.120 1.00 0.00 C ATOM 552 O ASN A 786 1.634 -41.056 -16.349 1.00 0.00 O ATOM 553 CB ASN A 786 2.864 -43.242 -14.954 1.00 0.00 C ATOM 554 CG ASN A 786 4.225 -43.031 -15.599 1.00 0.00 C ATOM 555 OD1 ASN A 786 4.361 -42.833 -16.799 1.00 0.00 O ATOM 556 ND2 ASN A 786 5.275 -43.062 -14.796 1.00 0.00 N ATOM 0 H ASN A 786 2.053 -41.974 -12.173 1.00 0.00 H new ATOM 0 HA ASN A 786 3.275 -41.413 -13.929 1.00 0.00 H new ATOM 0 HB2 ASN A 786 2.919 -44.068 -14.245 1.00 0.00 H new ATOM 0 HB3 ASN A 786 2.138 -43.524 -15.716 1.00 0.00 H new ATOM 0 HD21 ASN A 786 6.211 -42.920 -15.175 1.00 0.00 H new ATOM 0 HD22 ASN A 786 5.149 -43.228 -13.798 1.00 0.00 H new ATOM 563 N HIS A 787 0.945 -39.977 -14.490 1.00 0.00 N ATOM 564 CA HIS A 787 0.256 -38.865 -15.162 1.00 0.00 C ATOM 565 C HIS A 787 1.245 -38.032 -15.996 1.00 0.00 C ATOM 566 O HIS A 787 2.434 -37.958 -15.689 1.00 0.00 O ATOM 567 CB HIS A 787 -0.467 -37.966 -14.128 1.00 0.00 C ATOM 568 CG HIS A 787 -1.637 -38.573 -13.377 1.00 0.00 C ATOM 569 ND1 HIS A 787 -2.471 -37.904 -12.478 1.00 0.00 N ATOM 570 CD2 HIS A 787 -2.044 -39.883 -13.423 1.00 0.00 C ATOM 571 CE1 HIS A 787 -3.344 -38.819 -12.004 1.00 0.00 C ATOM 572 NE2 HIS A 787 -3.104 -40.018 -12.556 1.00 0.00 N ATOM 0 H HIS A 787 0.861 -39.940 -13.474 1.00 0.00 H new ATOM 0 HA HIS A 787 -0.489 -39.288 -15.836 1.00 0.00 H new ATOM 0 HB2 HIS A 787 0.269 -37.635 -13.395 1.00 0.00 H new ATOM 0 HB3 HIS A 787 -0.824 -37.076 -14.646 1.00 0.00 H new ATOM 0 HD2 HIS A 787 -1.611 -40.665 -14.029 1.00 0.00 H new ATOM 0 HE1 HIS A 787 -4.123 -38.615 -11.284 1.00 0.00 H new ATOM 0 HE2 HIS A 787 -3.617 -40.879 -12.366 1.00 0.00 H new ATOM 580 N ASP A 788 0.750 -37.383 -17.049 1.00 0.00 N ATOM 581 CA ASP A 788 1.534 -36.445 -17.858 1.00 0.00 C ATOM 582 C ASP A 788 1.534 -35.046 -17.228 1.00 0.00 C ATOM 583 O ASP A 788 0.469 -34.478 -16.987 1.00 0.00 O ATOM 584 CB ASP A 788 0.980 -36.376 -19.290 1.00 0.00 C ATOM 585 CG ASP A 788 1.205 -37.683 -20.066 1.00 0.00 C ATOM 586 OD1 ASP A 788 2.363 -37.945 -20.475 1.00 0.00 O ATOM 587 OD2 ASP A 788 0.222 -38.428 -20.298 1.00 0.00 O ATOM 0 H ASP A 788 -0.212 -37.493 -17.369 1.00 0.00 H new ATOM 0 HA ASP A 788 2.561 -36.808 -17.893 1.00 0.00 H new ATOM 0 HB2 ASP A 788 -0.087 -36.156 -19.254 1.00 0.00 H new ATOM 0 HB3 ASP A 788 1.457 -35.553 -19.822 1.00 0.00 H new ATOM 592 N PHE A 789 2.720 -34.480 -16.988 1.00 0.00 N ATOM 593 CA PHE A 789 2.904 -33.114 -16.480 1.00 0.00 C ATOM 594 C PHE A 789 3.957 -32.342 -17.282 1.00 0.00 C ATOM 595 O PHE A 789 4.936 -32.914 -17.772 1.00 0.00 O ATOM 596 CB PHE A 789 3.260 -33.088 -14.978 1.00 0.00 C ATOM 597 CG PHE A 789 3.712 -34.365 -14.310 1.00 0.00 C ATOM 598 CD1 PHE A 789 5.082 -34.693 -14.255 1.00 0.00 C ATOM 599 CD2 PHE A 789 2.768 -35.188 -13.668 1.00 0.00 C ATOM 600 CE1 PHE A 789 5.497 -35.854 -13.579 1.00 0.00 C ATOM 601 CE2 PHE A 789 3.188 -36.336 -12.983 1.00 0.00 C ATOM 602 CZ PHE A 789 4.551 -36.672 -12.940 1.00 0.00 C ATOM 0 H PHE A 789 3.601 -34.969 -17.145 1.00 0.00 H new ATOM 0 HA PHE A 789 1.942 -32.617 -16.606 1.00 0.00 H new ATOM 0 HB2 PHE A 789 4.048 -32.348 -14.839 1.00 0.00 H new ATOM 0 HB3 PHE A 789 2.384 -32.727 -14.439 1.00 0.00 H new ATOM 0 HD1 PHE A 789 5.811 -34.054 -14.731 1.00 0.00 H new ATOM 0 HD2 PHE A 789 1.719 -34.935 -13.703 1.00 0.00 H new ATOM 0 HE1 PHE A 789 6.544 -36.117 -13.551 1.00 0.00 H new ATOM 0 HE2 PHE A 789 2.462 -36.964 -12.487 1.00 0.00 H new ATOM 0 HZ PHE A 789 4.872 -37.560 -12.415 1.00 0.00 H new ATOM 612 N HIS A 790 3.779 -31.024 -17.374 1.00 0.00 N ATOM 613 CA HIS A 790 4.751 -30.084 -17.942 1.00 0.00 C ATOM 614 C HIS A 790 5.354 -29.197 -16.828 1.00 0.00 C ATOM 615 O HIS A 790 4.620 -28.638 -16.014 1.00 0.00 O ATOM 616 CB HIS A 790 4.061 -29.203 -19.004 1.00 0.00 C ATOM 617 CG HIS A 790 3.510 -29.906 -20.227 1.00 0.00 C ATOM 618 ND1 HIS A 790 2.681 -29.338 -21.168 1.00 0.00 N ATOM 619 CD2 HIS A 790 3.768 -31.185 -20.649 1.00 0.00 C ATOM 620 CE1 HIS A 790 2.428 -30.253 -22.119 1.00 0.00 C ATOM 621 NE2 HIS A 790 3.075 -31.400 -21.848 1.00 0.00 N ATOM 0 H HIS A 790 2.929 -30.565 -17.046 1.00 0.00 H new ATOM 0 HA HIS A 790 5.557 -30.648 -18.411 1.00 0.00 H new ATOM 0 HB2 HIS A 790 3.242 -28.670 -18.522 1.00 0.00 H new ATOM 0 HB3 HIS A 790 4.777 -28.452 -19.338 1.00 0.00 H new ATOM 0 HD2 HIS A 790 4.397 -31.903 -20.144 1.00 0.00 H new ATOM 0 HE1 HIS A 790 1.795 -30.090 -22.979 1.00 0.00 H new ATOM 0 HE2 HIS A 790 3.064 -32.255 -22.404 1.00 0.00 H new ATOM 629 N TRP A 791 6.680 -29.045 -16.813 1.00 0.00 N ATOM 630 CA TRP A 791 7.414 -28.145 -15.906 1.00 0.00 C ATOM 631 C TRP A 791 7.620 -26.751 -16.527 1.00 0.00 C ATOM 632 O TRP A 791 7.762 -26.612 -17.746 1.00 0.00 O ATOM 633 CB TRP A 791 8.762 -28.788 -15.536 1.00 0.00 C ATOM 634 CG TRP A 791 8.670 -29.965 -14.610 1.00 0.00 C ATOM 635 CD1 TRP A 791 8.396 -31.239 -14.967 1.00 0.00 C ATOM 636 CD2 TRP A 791 8.873 -29.998 -13.161 1.00 0.00 C ATOM 637 NE1 TRP A 791 8.409 -32.055 -13.854 1.00 0.00 N ATOM 638 CE2 TRP A 791 8.707 -31.343 -12.710 1.00 0.00 C ATOM 639 CE3 TRP A 791 9.163 -29.020 -12.182 1.00 0.00 C ATOM 640 CZ2 TRP A 791 8.856 -31.704 -11.365 1.00 0.00 C ATOM 641 CZ3 TRP A 791 9.297 -29.372 -10.825 1.00 0.00 C ATOM 642 CH2 TRP A 791 9.144 -30.708 -10.419 1.00 0.00 C ATOM 0 H TRP A 791 7.294 -29.556 -17.447 1.00 0.00 H new ATOM 0 HA TRP A 791 6.820 -28.002 -15.003 1.00 0.00 H new ATOM 0 HB2 TRP A 791 9.261 -29.104 -16.452 1.00 0.00 H new ATOM 0 HB3 TRP A 791 9.394 -28.030 -15.074 1.00 0.00 H new ATOM 0 HD1 TRP A 791 8.196 -31.570 -15.975 1.00 0.00 H new ATOM 0 HE1 TRP A 791 8.222 -33.058 -13.874 1.00 0.00 H new ATOM 0 HE3 TRP A 791 9.283 -27.989 -12.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 791 8.751 -32.735 -11.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 791 9.519 -28.610 -10.092 1.00 0.00 H new ATOM 0 HH2 TRP A 791 9.248 -30.969 -9.376 1.00 0.00 H new ATOM 653 N HIS A 792 7.670 -25.712 -15.687 1.00 0.00 N ATOM 654 CA HIS A 792 7.782 -24.291 -16.053 1.00 0.00 C ATOM 655 C HIS A 792 8.101 -23.415 -14.822 1.00 0.00 C ATOM 656 O HIS A 792 8.305 -23.931 -13.721 1.00 0.00 O ATOM 657 CB HIS A 792 6.495 -23.833 -16.766 1.00 0.00 C ATOM 658 CG HIS A 792 5.236 -23.880 -15.926 1.00 0.00 C ATOM 659 ND1 HIS A 792 4.556 -22.802 -15.409 1.00 0.00 N ATOM 660 CD2 HIS A 792 4.539 -25.002 -15.560 1.00 0.00 C ATOM 661 CE1 HIS A 792 3.471 -23.264 -14.759 1.00 0.00 C ATOM 662 NE2 HIS A 792 3.421 -24.607 -14.816 1.00 0.00 N ATOM 0 H HIS A 792 7.631 -25.844 -14.676 1.00 0.00 H new ATOM 0 HA HIS A 792 8.617 -24.171 -16.744 1.00 0.00 H new ATOM 0 HB2 HIS A 792 6.639 -22.812 -17.118 1.00 0.00 H new ATOM 0 HB3 HIS A 792 6.347 -24.456 -17.648 1.00 0.00 H new ATOM 0 HD1 HIS A 792 4.827 -21.823 -15.502 1.00 0.00 H new ATOM 0 HD2 HIS A 792 4.807 -26.019 -15.804 1.00 0.00 H new ATOM 0 HE1 HIS A 792 2.742 -22.642 -14.261 1.00 0.00 H new ATOM 670 N ASN A 793 8.147 -22.088 -14.977 1.00 0.00 N ATOM 671 CA ASN A 793 8.361 -21.137 -13.880 1.00 0.00 C ATOM 672 C ASN A 793 7.098 -20.309 -13.549 1.00 0.00 C ATOM 673 O ASN A 793 6.199 -20.142 -14.376 1.00 0.00 O ATOM 674 CB ASN A 793 9.561 -20.240 -14.219 1.00 0.00 C ATOM 675 CG ASN A 793 10.882 -20.987 -14.042 1.00 0.00 C ATOM 676 OD1 ASN A 793 11.425 -21.576 -14.972 1.00 0.00 O ATOM 677 ND2 ASN A 793 11.424 -21.009 -12.838 1.00 0.00 N ATOM 0 H ASN A 793 8.035 -21.636 -15.884 1.00 0.00 H new ATOM 0 HA ASN A 793 8.579 -21.703 -12.974 1.00 0.00 H new ATOM 0 HB2 ASN A 793 9.475 -19.888 -15.247 1.00 0.00 H new ATOM 0 HB3 ASN A 793 9.551 -19.358 -13.578 1.00 0.00 H new ATOM 0 HD21 ASN A 793 12.295 -21.516 -12.680 1.00 0.00 H new ATOM 0 HD22 ASN A 793 10.972 -20.519 -12.066 1.00 0.00 H new ATOM 684 N GLY A 794 7.060 -19.779 -12.320 1.00 0.00 N ATOM 685 CA GLY A 794 6.022 -18.893 -11.766 1.00 0.00 C ATOM 686 C GLY A 794 6.516 -18.134 -10.527 1.00 0.00 C ATOM 687 O GLY A 794 7.717 -17.914 -10.373 1.00 0.00 O ATOM 0 H GLY A 794 7.798 -19.968 -11.642 1.00 0.00 H new ATOM 0 HA2 GLY A 794 5.710 -18.179 -12.528 1.00 0.00 H new ATOM 0 HA3 GLY A 794 5.144 -19.483 -11.504 1.00 0.00 H new ATOM 691 N VAL A 795 5.596 -17.748 -9.639 1.00 0.00 N ATOM 692 CA VAL A 795 5.870 -17.113 -8.331 1.00 0.00 C ATOM 693 C VAL A 795 4.951 -17.689 -7.251 1.00 0.00 C ATOM 694 O VAL A 795 3.757 -17.894 -7.475 1.00 0.00 O ATOM 695 CB VAL A 795 5.763 -15.562 -8.377 1.00 0.00 C ATOM 696 CG1 VAL A 795 4.482 -15.052 -9.049 1.00 0.00 C ATOM 697 CG2 VAL A 795 5.850 -14.904 -6.984 1.00 0.00 C ATOM 0 H VAL A 795 4.598 -17.871 -9.811 1.00 0.00 H new ATOM 0 HA VAL A 795 6.905 -17.345 -8.079 1.00 0.00 H new ATOM 0 HB VAL A 795 6.625 -15.273 -8.977 1.00 0.00 H new ATOM 0 HG11 VAL A 795 4.478 -13.962 -9.044 1.00 0.00 H new ATOM 0 HG12 VAL A 795 4.443 -15.410 -10.078 1.00 0.00 H new ATOM 0 HG13 VAL A 795 3.613 -15.421 -8.504 1.00 0.00 H new ATOM 0 HG21 VAL A 795 5.769 -13.822 -7.087 1.00 0.00 H new ATOM 0 HG22 VAL A 795 5.037 -15.271 -6.357 1.00 0.00 H new ATOM 0 HG23 VAL A 795 6.805 -15.154 -6.523 1.00 0.00 H new ATOM 707 N LYS A 796 5.520 -17.938 -6.073 1.00 0.00 N ATOM 708 CA LYS A 796 4.809 -18.438 -4.893 1.00 0.00 C ATOM 709 C LYS A 796 4.419 -17.313 -3.918 1.00 0.00 C ATOM 710 O LYS A 796 5.190 -16.385 -3.666 1.00 0.00 O ATOM 711 CB LYS A 796 5.653 -19.543 -4.239 1.00 0.00 C ATOM 712 CG LYS A 796 6.920 -19.024 -3.534 1.00 0.00 C ATOM 713 CD LYS A 796 8.042 -20.064 -3.500 1.00 0.00 C ATOM 714 CE LYS A 796 7.636 -21.343 -2.747 1.00 0.00 C ATOM 715 NZ LYS A 796 8.731 -22.349 -2.751 1.00 0.00 N ATOM 0 H LYS A 796 6.516 -17.794 -5.906 1.00 0.00 H new ATOM 0 HA LYS A 796 3.857 -18.868 -5.203 1.00 0.00 H new ATOM 0 HB2 LYS A 796 5.038 -20.076 -3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 796 5.943 -20.265 -5.002 1.00 0.00 H new ATOM 0 HG2 LYS A 796 7.275 -18.129 -4.045 1.00 0.00 H new ATOM 0 HG3 LYS A 796 6.670 -18.731 -2.514 1.00 0.00 H new ATOM 0 HD2 LYS A 796 8.326 -20.321 -4.520 1.00 0.00 H new ATOM 0 HD3 LYS A 796 8.921 -19.630 -3.025 1.00 0.00 H new ATOM 0 HE2 LYS A 796 7.374 -21.093 -1.719 1.00 0.00 H new ATOM 0 HE3 LYS A 796 6.746 -21.771 -3.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 796 8.424 -23.198 -2.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 796 8.964 -22.605 -3.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 796 9.572 -21.948 -2.289 1.00 0.00 H new ATOM 729 N ARG A 797 3.208 -17.422 -3.371 1.00 0.00 N ATOM 730 CA ARG A 797 2.579 -16.522 -2.402 1.00 0.00 C ATOM 731 C ARG A 797 2.459 -17.257 -1.057 1.00 0.00 C ATOM 732 O ARG A 797 2.101 -18.439 -1.034 1.00 0.00 O ATOM 733 CB ARG A 797 1.179 -16.116 -2.907 1.00 0.00 C ATOM 734 CG ARG A 797 1.102 -15.627 -4.364 1.00 0.00 C ATOM 735 CD ARG A 797 1.913 -14.353 -4.632 1.00 0.00 C ATOM 736 NE ARG A 797 1.847 -13.989 -6.060 1.00 0.00 N ATOM 737 CZ ARG A 797 1.850 -12.764 -6.573 1.00 0.00 C ATOM 738 NH1 ARG A 797 1.966 -11.682 -5.831 1.00 0.00 N ATOM 739 NH2 ARG A 797 1.732 -12.608 -7.871 1.00 0.00 N ATOM 0 H ARG A 797 2.594 -18.200 -3.612 1.00 0.00 H new ATOM 0 HA ARG A 797 3.182 -15.622 -2.278 1.00 0.00 H new ATOM 0 HB2 ARG A 797 0.513 -16.971 -2.796 1.00 0.00 H new ATOM 0 HB3 ARG A 797 0.796 -15.327 -2.259 1.00 0.00 H new ATOM 0 HG2 ARG A 797 1.458 -16.419 -5.023 1.00 0.00 H new ATOM 0 HG3 ARG A 797 0.059 -15.444 -4.621 1.00 0.00 H new ATOM 0 HD2 ARG A 797 1.527 -13.535 -4.024 1.00 0.00 H new ATOM 0 HD3 ARG A 797 2.951 -14.507 -4.338 1.00 0.00 H new ATOM 0 HE ARG A 797 1.793 -14.761 -6.725 1.00 0.00 H new ATOM 0 HH11 ARG A 797 2.059 -11.765 -4.819 1.00 0.00 H new ATOM 0 HH12 ARG A 797 1.963 -10.761 -6.269 1.00 0.00 H new ATOM 0 HH21 ARG A 797 1.639 -13.424 -8.476 1.00 0.00 H new ATOM 0 HH22 ARG A 797 1.733 -11.671 -8.274 1.00 0.00 H new ATOM 753 N PHE A 798 2.755 -16.569 0.045 1.00 0.00 N ATOM 754 CA PHE A 798 2.723 -17.130 1.402 1.00 0.00 C ATOM 755 C PHE A 798 1.447 -16.678 2.129 1.00 0.00 C ATOM 756 O PHE A 798 1.003 -15.541 1.942 1.00 0.00 O ATOM 757 CB PHE A 798 3.986 -16.698 2.168 1.00 0.00 C ATOM 758 CG PHE A 798 5.284 -16.876 1.399 1.00 0.00 C ATOM 759 CD1 PHE A 798 5.783 -18.167 1.147 1.00 0.00 C ATOM 760 CD2 PHE A 798 5.993 -15.758 0.931 1.00 0.00 C ATOM 761 CE1 PHE A 798 6.970 -18.337 0.415 1.00 0.00 C ATOM 762 CE2 PHE A 798 7.192 -15.926 0.222 1.00 0.00 C ATOM 763 CZ PHE A 798 7.674 -17.215 -0.055 1.00 0.00 C ATOM 0 H PHE A 798 3.029 -15.587 0.023 1.00 0.00 H new ATOM 0 HA PHE A 798 2.709 -18.219 1.349 1.00 0.00 H new ATOM 0 HB2 PHE A 798 3.885 -15.649 2.447 1.00 0.00 H new ATOM 0 HB3 PHE A 798 4.046 -17.269 3.094 1.00 0.00 H new ATOM 0 HD1 PHE A 798 5.251 -19.031 1.518 1.00 0.00 H new ATOM 0 HD2 PHE A 798 5.614 -14.764 1.118 1.00 0.00 H new ATOM 0 HE1 PHE A 798 7.342 -19.331 0.213 1.00 0.00 H new ATOM 0 HE2 PHE A 798 7.746 -15.061 -0.112 1.00 0.00 H new ATOM 0 HZ PHE A 798 8.581 -17.344 -0.626 1.00 0.00 H new ATOM 773 N PHE A 799 0.869 -17.536 2.979 1.00 0.00 N ATOM 774 CA PHE A 799 -0.383 -17.261 3.689 1.00 0.00 C ATOM 775 C PHE A 799 -0.332 -17.665 5.169 1.00 0.00 C ATOM 776 O PHE A 799 0.395 -18.579 5.567 1.00 0.00 O ATOM 777 CB PHE A 799 -1.561 -17.957 2.983 1.00 0.00 C ATOM 778 CG PHE A 799 -1.690 -17.586 1.521 1.00 0.00 C ATOM 779 CD1 PHE A 799 -2.430 -16.450 1.148 1.00 0.00 C ATOM 780 CD2 PHE A 799 -1.028 -18.347 0.537 1.00 0.00 C ATOM 781 CE1 PHE A 799 -2.486 -16.061 -0.200 1.00 0.00 C ATOM 782 CE2 PHE A 799 -1.108 -17.970 -0.815 1.00 0.00 C ATOM 783 CZ PHE A 799 -1.826 -16.820 -1.180 1.00 0.00 C ATOM 0 H PHE A 799 1.264 -18.451 3.194 1.00 0.00 H new ATOM 0 HA PHE A 799 -0.530 -16.181 3.664 1.00 0.00 H new ATOM 0 HB2 PHE A 799 -1.438 -19.037 3.067 1.00 0.00 H new ATOM 0 HB3 PHE A 799 -2.487 -17.700 3.498 1.00 0.00 H new ATOM 0 HD1 PHE A 799 -2.955 -15.877 1.898 1.00 0.00 H new ATOM 0 HD2 PHE A 799 -0.459 -19.220 0.821 1.00 0.00 H new ATOM 0 HE1 PHE A 799 -3.037 -15.177 -0.484 1.00 0.00 H new ATOM 0 HE2 PHE A 799 -0.618 -18.564 -1.572 1.00 0.00 H new ATOM 0 HZ PHE A 799 -1.871 -16.519 -2.216 1.00 0.00 H new ATOM 793 N LYS A 800 -1.143 -16.983 5.980 1.00 0.00 N ATOM 794 CA LYS A 800 -1.304 -17.203 7.422 1.00 0.00 C ATOM 795 C LYS A 800 -2.790 -17.214 7.823 1.00 0.00 C ATOM 796 O LYS A 800 -3.597 -16.444 7.297 1.00 0.00 O ATOM 797 CB LYS A 800 -0.501 -16.114 8.163 1.00 0.00 C ATOM 798 CG LYS A 800 -0.539 -16.262 9.689 1.00 0.00 C ATOM 799 CD LYS A 800 0.406 -15.258 10.363 1.00 0.00 C ATOM 800 CE LYS A 800 0.337 -15.412 11.887 1.00 0.00 C ATOM 801 NZ LYS A 800 1.201 -14.428 12.590 1.00 0.00 N ATOM 0 H LYS A 800 -1.734 -16.227 5.635 1.00 0.00 H new ATOM 0 HA LYS A 800 -0.917 -18.183 7.701 1.00 0.00 H new ATOM 0 HB2 LYS A 800 0.536 -16.146 7.828 1.00 0.00 H new ATOM 0 HB3 LYS A 800 -0.894 -15.134 7.890 1.00 0.00 H new ATOM 0 HG2 LYS A 800 -1.556 -16.106 10.048 1.00 0.00 H new ATOM 0 HG3 LYS A 800 -0.255 -17.277 9.967 1.00 0.00 H new ATOM 0 HD2 LYS A 800 1.427 -15.421 10.019 1.00 0.00 H new ATOM 0 HD3 LYS A 800 0.132 -14.242 10.079 1.00 0.00 H new ATOM 0 HE2 LYS A 800 -0.695 -15.288 12.217 1.00 0.00 H new ATOM 0 HE3 LYS A 800 0.641 -16.422 12.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 1.123 -14.569 13.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 2.190 -14.562 12.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 0.896 -13.463 12.349 1.00 0.00 H new ATOM 815 N CYS A 801 -3.155 -18.102 8.752 1.00 0.00 N ATOM 816 CA CYS A 801 -4.466 -18.206 9.406 1.00 0.00 C ATOM 817 C CYS A 801 -4.418 -17.557 10.813 1.00 0.00 C ATOM 818 O CYS A 801 -3.361 -17.624 11.454 1.00 0.00 O ATOM 819 CB CYS A 801 -4.776 -19.709 9.488 1.00 0.00 C ATOM 820 SG CYS A 801 -6.451 -20.036 10.130 1.00 0.00 S ATOM 0 H CYS A 801 -2.505 -18.812 9.089 1.00 0.00 H new ATOM 0 HA CYS A 801 -5.243 -17.680 8.851 1.00 0.00 H new ATOM 0 HB2 CYS A 801 -4.676 -20.153 8.498 1.00 0.00 H new ATOM 0 HB3 CYS A 801 -4.042 -20.195 10.131 1.00 0.00 H new ATOM 0 HG CYS A 801 -6.845 -21.211 9.737 1.00 0.00 H new ATOM 825 N PRO A 802 -5.510 -16.962 11.338 1.00 0.00 N ATOM 826 CA PRO A 802 -5.546 -16.327 12.662 1.00 0.00 C ATOM 827 C PRO A 802 -5.170 -17.222 13.861 1.00 0.00 C ATOM 828 O PRO A 802 -4.777 -16.679 14.895 1.00 0.00 O ATOM 829 CB PRO A 802 -6.958 -15.743 12.813 1.00 0.00 C ATOM 830 CG PRO A 802 -7.787 -16.440 11.737 1.00 0.00 C ATOM 831 CD PRO A 802 -6.753 -16.668 10.640 1.00 0.00 C ATOM 0 HA PRO A 802 -4.764 -15.568 12.693 1.00 0.00 H new ATOM 0 HB2 PRO A 802 -7.361 -15.934 13.808 1.00 0.00 H new ATOM 0 HB3 PRO A 802 -6.956 -14.662 12.672 1.00 0.00 H new ATOM 0 HG2 PRO A 802 -8.216 -17.376 12.095 1.00 0.00 H new ATOM 0 HG3 PRO A 802 -8.616 -15.820 11.395 1.00 0.00 H new ATOM 0 HD2 PRO A 802 -7.044 -17.494 9.991 1.00 0.00 H new ATOM 0 HD3 PRO A 802 -6.650 -15.786 10.008 1.00 0.00 H new ATOM 839 N CYS A 803 -5.238 -18.557 13.752 1.00 0.00 N ATOM 840 CA CYS A 803 -4.776 -19.486 14.797 1.00 0.00 C ATOM 841 C CYS A 803 -3.236 -19.647 14.855 1.00 0.00 C ATOM 842 O CYS A 803 -2.699 -20.200 15.825 1.00 0.00 O ATOM 843 CB CYS A 803 -5.487 -20.836 14.615 1.00 0.00 C ATOM 844 SG CYS A 803 -4.872 -21.714 13.138 1.00 0.00 S ATOM 0 H CYS A 803 -5.618 -19.027 12.930 1.00 0.00 H new ATOM 0 HA CYS A 803 -5.042 -19.056 15.763 1.00 0.00 H new ATOM 0 HB2 CYS A 803 -5.331 -21.454 15.499 1.00 0.00 H new ATOM 0 HB3 CYS A 803 -6.561 -20.675 14.524 1.00 0.00 H new ATOM 0 HG CYS A 803 -5.385 -21.179 12.070 1.00 0.00 H new ATOM 849 N GLY A 804 -2.518 -19.159 13.834 1.00 0.00 N ATOM 850 CA GLY A 804 -1.064 -19.248 13.669 1.00 0.00 C ATOM 851 C GLY A 804 -0.596 -20.251 12.606 1.00 0.00 C ATOM 852 O GLY A 804 0.592 -20.269 12.280 1.00 0.00 O ATOM 0 H GLY A 804 -2.962 -18.665 13.060 1.00 0.00 H new ATOM 0 HA2 GLY A 804 -0.681 -18.261 13.410 1.00 0.00 H new ATOM 0 HA3 GLY A 804 -0.620 -19.521 14.626 1.00 0.00 H new ATOM 856 N ASN A 805 -1.498 -21.060 12.041 1.00 0.00 N ATOM 857 CA ASN A 805 -1.189 -22.002 10.958 1.00 0.00 C ATOM 858 C ASN A 805 -0.786 -21.279 9.653 1.00 0.00 C ATOM 859 O ASN A 805 -1.174 -20.131 9.407 1.00 0.00 O ATOM 860 CB ASN A 805 -2.389 -22.942 10.747 1.00 0.00 C ATOM 861 CG ASN A 805 -2.078 -24.165 9.889 1.00 0.00 C ATOM 862 OD1 ASN A 805 -0.930 -24.571 9.730 1.00 0.00 O ATOM 863 ND2 ASN A 805 -3.084 -24.777 9.306 1.00 0.00 N ATOM 0 H ASN A 805 -2.477 -21.080 12.326 1.00 0.00 H new ATOM 0 HA ASN A 805 -0.322 -22.595 11.248 1.00 0.00 H new ATOM 0 HB2 ASN A 805 -2.751 -23.276 11.719 1.00 0.00 H new ATOM 0 HB3 ASN A 805 -3.199 -22.381 10.281 1.00 0.00 H new ATOM 0 HD21 ASN A 805 -2.913 -25.593 8.718 1.00 0.00 H new ATOM 0 HD22 ASN A 805 -4.036 -24.436 9.441 1.00 0.00 H new ATOM 870 N ARG A 806 -0.009 -21.958 8.797 1.00 0.00 N ATOM 871 CA ARG A 806 0.618 -21.415 7.585 1.00 0.00 C ATOM 872 C ARG A 806 0.374 -22.308 6.356 1.00 0.00 C ATOM 873 O ARG A 806 0.157 -23.516 6.502 1.00 0.00 O ATOM 874 CB ARG A 806 2.136 -21.276 7.818 1.00 0.00 C ATOM 875 CG ARG A 806 2.537 -20.316 8.955 1.00 0.00 C ATOM 876 CD ARG A 806 2.097 -18.861 8.747 1.00 0.00 C ATOM 877 NE ARG A 806 2.595 -18.313 7.473 1.00 0.00 N ATOM 878 CZ ARG A 806 3.813 -17.853 7.218 1.00 0.00 C ATOM 879 NH1 ARG A 806 4.743 -17.773 8.149 1.00 0.00 N ATOM 880 NH2 ARG A 806 4.115 -17.471 6.000 1.00 0.00 N ATOM 0 H ARG A 806 0.209 -22.945 8.938 1.00 0.00 H new ATOM 0 HA ARG A 806 0.167 -20.443 7.384 1.00 0.00 H new ATOM 0 HB2 ARG A 806 2.547 -22.262 8.034 1.00 0.00 H new ATOM 0 HB3 ARG A 806 2.600 -20.933 6.893 1.00 0.00 H new ATOM 0 HG2 ARG A 806 2.110 -20.681 9.889 1.00 0.00 H new ATOM 0 HG3 ARG A 806 3.621 -20.341 9.069 1.00 0.00 H new ATOM 0 HD2 ARG A 806 1.009 -18.805 8.766 1.00 0.00 H new ATOM 0 HD3 ARG A 806 2.462 -18.250 9.572 1.00 0.00 H new ATOM 0 HE ARG A 806 1.929 -18.284 6.701 1.00 0.00 H new ATOM 0 HH11 ARG A 806 4.537 -18.070 9.103 1.00 0.00 H new ATOM 0 HH12 ARG A 806 5.669 -17.414 7.916 1.00 0.00 H new ATOM 0 HH21 ARG A 806 3.416 -17.529 5.259 1.00 0.00 H new ATOM 0 HH22 ARG A 806 5.049 -17.116 5.794 1.00 0.00 H new ATOM 894 N THR A 807 0.473 -21.727 5.152 1.00 0.00 N ATOM 895 CA THR A 807 0.484 -22.432 3.854 1.00 0.00 C ATOM 896 C THR A 807 1.089 -21.561 2.755 1.00 0.00 C ATOM 897 O THR A 807 1.403 -20.391 2.972 1.00 0.00 O ATOM 898 CB THR A 807 -0.907 -22.997 3.506 1.00 0.00 C ATOM 899 OG1 THR A 807 -0.750 -23.959 2.480 1.00 0.00 O ATOM 900 CG2 THR A 807 -1.906 -21.936 3.043 1.00 0.00 C ATOM 0 H THR A 807 0.551 -20.715 5.047 1.00 0.00 H new ATOM 0 HA THR A 807 1.139 -23.299 3.939 1.00 0.00 H new ATOM 0 HB THR A 807 -1.317 -23.430 4.418 1.00 0.00 H new ATOM 0 HG1 THR A 807 -1.625 -24.332 2.245 1.00 0.00 H new ATOM 0 HG21 THR A 807 -2.861 -22.410 2.816 1.00 0.00 H new ATOM 0 HG22 THR A 807 -2.045 -21.198 3.833 1.00 0.00 H new ATOM 0 HG23 THR A 807 -1.525 -21.443 2.149 1.00 0.00 H new ATOM 908 N ILE A 808 1.285 -22.142 1.574 1.00 0.00 N ATOM 909 CA ILE A 808 1.942 -21.533 0.404 1.00 0.00 C ATOM 910 C ILE A 808 1.206 -21.992 -0.867 1.00 0.00 C ATOM 911 O ILE A 808 0.821 -23.157 -0.980 1.00 0.00 O ATOM 912 CB ILE A 808 3.453 -21.921 0.336 1.00 0.00 C ATOM 913 CG1 ILE A 808 4.164 -21.813 1.713 1.00 0.00 C ATOM 914 CG2 ILE A 808 4.170 -21.058 -0.728 1.00 0.00 C ATOM 915 CD1 ILE A 808 5.663 -22.146 1.695 1.00 0.00 C ATOM 0 H ILE A 808 0.978 -23.097 1.391 1.00 0.00 H new ATOM 0 HA ILE A 808 1.893 -20.447 0.489 1.00 0.00 H new ATOM 0 HB ILE A 808 3.508 -22.970 0.046 1.00 0.00 H new ATOM 0 HG12 ILE A 808 4.036 -20.799 2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 808 3.667 -22.482 2.416 1.00 0.00 H new ATOM 0 HG21 ILE A 808 5.224 -21.334 -0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 808 3.711 -21.226 -1.702 1.00 0.00 H new ATOM 0 HG23 ILE A 808 4.081 -20.005 -0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 808 6.071 -22.043 2.701 1.00 0.00 H new ATOM 0 HD12 ILE A 808 5.804 -23.170 1.350 1.00 0.00 H new ATOM 0 HD13 ILE A 808 6.180 -21.462 1.022 1.00 0.00 H new ATOM 927 N SER A 809 1.022 -21.109 -1.847 1.00 0.00 N ATOM 928 CA SER A 809 0.354 -21.437 -3.121 1.00 0.00 C ATOM 929 C SER A 809 0.788 -20.509 -4.259 1.00 0.00 C ATOM 930 O SER A 809 1.414 -19.474 -4.041 1.00 0.00 O ATOM 931 CB SER A 809 -1.172 -21.413 -2.931 1.00 0.00 C ATOM 932 OG SER A 809 -1.856 -21.887 -4.085 1.00 0.00 O ATOM 0 H SER A 809 1.331 -20.139 -1.787 1.00 0.00 H new ATOM 0 HA SER A 809 0.659 -22.442 -3.411 1.00 0.00 H new ATOM 0 HB2 SER A 809 -1.441 -22.027 -2.071 1.00 0.00 H new ATOM 0 HB3 SER A 809 -1.495 -20.396 -2.710 1.00 0.00 H new ATOM 0 HG SER A 809 -2.823 -21.859 -3.927 1.00 0.00 H new ATOM 938 N LEU A 810 0.474 -20.906 -5.491 1.00 0.00 N ATOM 939 CA LEU A 810 0.790 -20.202 -6.730 1.00 0.00 C ATOM 940 C LEU A 810 -0.356 -19.268 -7.164 1.00 0.00 C ATOM 941 O LEU A 810 -0.158 -18.370 -7.986 1.00 0.00 O ATOM 942 CB LEU A 810 1.124 -21.256 -7.798 1.00 0.00 C ATOM 943 CG LEU A 810 2.322 -22.198 -7.524 1.00 0.00 C ATOM 944 CD1 LEU A 810 3.604 -21.431 -7.154 1.00 0.00 C ATOM 945 CD2 LEU A 810 2.064 -23.311 -6.493 1.00 0.00 C ATOM 0 H LEU A 810 -0.035 -21.774 -5.659 1.00 0.00 H new ATOM 0 HA LEU A 810 1.651 -19.551 -6.582 1.00 0.00 H new ATOM 0 HB2 LEU A 810 0.239 -21.873 -7.949 1.00 0.00 H new ATOM 0 HB3 LEU A 810 1.314 -20.735 -8.737 1.00 0.00 H new ATOM 0 HG LEU A 810 2.464 -22.699 -8.482 1.00 0.00 H new ATOM 0 HD11 LEU A 810 4.412 -22.139 -6.972 1.00 0.00 H new ATOM 0 HD12 LEU A 810 3.880 -20.768 -7.973 1.00 0.00 H new ATOM 0 HD13 LEU A 810 3.429 -20.842 -6.254 1.00 0.00 H new ATOM 0 HD21 LEU A 810 2.965 -23.913 -6.375 1.00 0.00 H new ATOM 0 HD22 LEU A 810 1.797 -22.865 -5.535 1.00 0.00 H new ATOM 0 HD23 LEU A 810 1.247 -23.944 -6.838 1.00 0.00 H new ATOM 957 N ASP A 811 -1.554 -19.453 -6.595 1.00 0.00 N ATOM 958 CA ASP A 811 -2.702 -18.551 -6.720 1.00 0.00 C ATOM 959 C ASP A 811 -2.648 -17.417 -5.668 1.00 0.00 C ATOM 960 O ASP A 811 -1.926 -17.507 -4.668 1.00 0.00 O ATOM 961 CB ASP A 811 -4.003 -19.365 -6.584 1.00 0.00 C ATOM 962 CG ASP A 811 -5.210 -18.649 -7.215 1.00 0.00 C ATOM 963 OD1 ASP A 811 -5.462 -18.851 -8.427 1.00 0.00 O ATOM 964 OD2 ASP A 811 -5.880 -17.865 -6.500 1.00 0.00 O ATOM 0 H ASP A 811 -1.756 -20.266 -6.013 1.00 0.00 H new ATOM 0 HA ASP A 811 -2.672 -18.078 -7.702 1.00 0.00 H new ATOM 0 HB2 ASP A 811 -3.872 -20.337 -7.059 1.00 0.00 H new ATOM 0 HB3 ASP A 811 -4.204 -19.550 -5.529 1.00 0.00 H new ATOM 969 N ARG A 812 -3.444 -16.362 -5.875 1.00 0.00 N ATOM 970 CA ARG A 812 -3.548 -15.190 -4.986 1.00 0.00 C ATOM 971 C ARG A 812 -4.244 -15.460 -3.637 1.00 0.00 C ATOM 972 O ARG A 812 -4.175 -14.611 -2.749 1.00 0.00 O ATOM 973 CB ARG A 812 -4.151 -13.991 -5.751 1.00 0.00 C ATOM 974 CG ARG A 812 -5.457 -14.209 -6.539 1.00 0.00 C ATOM 975 CD ARG A 812 -6.697 -14.631 -5.738 1.00 0.00 C ATOM 976 NE ARG A 812 -7.079 -13.633 -4.724 1.00 0.00 N ATOM 977 CZ ARG A 812 -8.208 -13.633 -4.020 1.00 0.00 C ATOM 978 NH1 ARG A 812 -9.112 -14.581 -4.157 1.00 0.00 N ATOM 979 NH2 ARG A 812 -8.443 -12.672 -3.157 1.00 0.00 N ATOM 0 H ARG A 812 -4.054 -16.294 -6.690 1.00 0.00 H new ATOM 0 HA ARG A 812 -2.530 -14.934 -4.692 1.00 0.00 H new ATOM 0 HB2 ARG A 812 -4.327 -13.192 -5.031 1.00 0.00 H new ATOM 0 HB3 ARG A 812 -3.397 -13.630 -6.450 1.00 0.00 H new ATOM 0 HG2 ARG A 812 -5.693 -13.284 -7.065 1.00 0.00 H new ATOM 0 HG3 ARG A 812 -5.271 -14.968 -7.298 1.00 0.00 H new ATOM 0 HD2 ARG A 812 -7.531 -14.788 -6.422 1.00 0.00 H new ATOM 0 HD3 ARG A 812 -6.502 -15.585 -5.249 1.00 0.00 H new ATOM 0 HE ARG A 812 -6.420 -12.875 -4.546 1.00 0.00 H new ATOM 0 HH11 ARG A 812 -8.956 -15.343 -4.817 1.00 0.00 H new ATOM 0 HH12 ARG A 812 -9.968 -14.553 -3.603 1.00 0.00 H new ATOM 0 HH21 ARG A 812 -7.760 -11.926 -3.026 1.00 0.00 H new ATOM 0 HH22 ARG A 812 -9.308 -12.672 -2.617 1.00 0.00 H new ATOM 993 N LEU A 813 -4.877 -16.630 -3.465 1.00 0.00 N ATOM 994 CA LEU A 813 -5.499 -17.125 -2.221 1.00 0.00 C ATOM 995 C LEU A 813 -5.758 -18.646 -2.365 1.00 0.00 C ATOM 996 O LEU A 813 -6.391 -19.038 -3.353 1.00 0.00 O ATOM 997 CB LEU A 813 -6.797 -16.310 -1.947 1.00 0.00 C ATOM 998 CG LEU A 813 -7.287 -16.171 -0.487 1.00 0.00 C ATOM 999 CD1 LEU A 813 -7.841 -17.481 0.080 1.00 0.00 C ATOM 1000 CD2 LEU A 813 -6.232 -15.553 0.439 1.00 0.00 C ATOM 0 H LEU A 813 -4.976 -17.296 -4.231 1.00 0.00 H new ATOM 0 HA LEU A 813 -4.843 -16.986 -1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -6.648 -15.306 -2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 813 -7.602 -16.764 -2.525 1.00 0.00 H new ATOM 0 HG LEU A 813 -8.120 -15.468 -0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 813 -8.170 -17.323 1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -8.686 -17.811 -0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 813 -7.062 -18.244 0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 813 -6.633 -15.481 1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 813 -5.341 -16.181 0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 813 -5.971 -14.557 0.080 1.00 0.00 H new ATOM 1012 N PRO A 814 -5.274 -19.518 -1.452 1.00 0.00 N ATOM 1013 CA PRO A 814 -5.430 -20.971 -1.572 1.00 0.00 C ATOM 1014 C PRO A 814 -6.891 -21.381 -1.369 1.00 0.00 C ATOM 1015 O PRO A 814 -7.606 -20.781 -0.574 1.00 0.00 O ATOM 1016 CB PRO A 814 -4.529 -21.574 -0.489 1.00 0.00 C ATOM 1017 CG PRO A 814 -4.451 -20.474 0.566 1.00 0.00 C ATOM 1018 CD PRO A 814 -4.478 -19.203 -0.273 1.00 0.00 C ATOM 0 HA PRO A 814 -5.150 -21.326 -2.564 1.00 0.00 H new ATOM 0 HB2 PRO A 814 -4.952 -22.492 -0.081 1.00 0.00 H new ATOM 0 HB3 PRO A 814 -3.543 -21.824 -0.881 1.00 0.00 H new ATOM 0 HG2 PRO A 814 -5.290 -20.519 1.260 1.00 0.00 H new ATOM 0 HG3 PRO A 814 -3.541 -20.547 1.161 1.00 0.00 H new ATOM 0 HD2 PRO A 814 -4.917 -18.376 0.285 1.00 0.00 H new ATOM 0 HD3 PRO A 814 -3.470 -18.898 -0.553 1.00 0.00 H new ATOM 1026 N LYS A 815 -7.321 -22.434 -2.074 1.00 0.00 N ATOM 1027 CA LYS A 815 -8.718 -22.920 -2.064 1.00 0.00 C ATOM 1028 C LYS A 815 -9.036 -23.950 -0.963 1.00 0.00 C ATOM 1029 O LYS A 815 -10.186 -24.375 -0.827 1.00 0.00 O ATOM 1030 CB LYS A 815 -9.087 -23.399 -3.487 1.00 0.00 C ATOM 1031 CG LYS A 815 -8.263 -24.550 -4.097 1.00 0.00 C ATOM 1032 CD LYS A 815 -8.467 -25.955 -3.504 1.00 0.00 C ATOM 1033 CE LYS A 815 -9.930 -26.412 -3.576 1.00 0.00 C ATOM 1034 NZ LYS A 815 -10.095 -27.817 -3.124 1.00 0.00 N ATOM 0 H LYS A 815 -6.707 -22.983 -2.676 1.00 0.00 H new ATOM 0 HA LYS A 815 -9.361 -22.084 -1.790 1.00 0.00 H new ATOM 0 HB2 LYS A 815 -10.133 -23.706 -3.476 1.00 0.00 H new ATOM 0 HB3 LYS A 815 -9.013 -22.543 -4.158 1.00 0.00 H new ATOM 0 HG2 LYS A 815 -8.487 -24.598 -5.163 1.00 0.00 H new ATOM 0 HG3 LYS A 815 -7.207 -24.295 -4.005 1.00 0.00 H new ATOM 0 HD2 LYS A 815 -7.840 -26.667 -4.040 1.00 0.00 H new ATOM 0 HD3 LYS A 815 -8.138 -25.959 -2.465 1.00 0.00 H new ATOM 0 HE2 LYS A 815 -10.545 -25.758 -2.959 1.00 0.00 H new ATOM 0 HE3 LYS A 815 -10.290 -26.316 -4.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 815 -11.097 -28.087 -3.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 815 -9.528 -28.445 -3.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 815 -9.775 -27.904 -2.138 1.00 0.00 H new ATOM 1048 N LYS A 816 -8.031 -24.387 -0.198 1.00 0.00 N ATOM 1049 CA LYS A 816 -8.132 -25.432 0.839 1.00 0.00 C ATOM 1050 C LYS A 816 -8.392 -24.874 2.251 1.00 0.00 C ATOM 1051 O LYS A 816 -8.034 -23.735 2.562 1.00 0.00 O ATOM 1052 CB LYS A 816 -6.892 -26.352 0.745 1.00 0.00 C ATOM 1053 CG LYS A 816 -5.508 -25.687 0.953 1.00 0.00 C ATOM 1054 CD LYS A 816 -5.032 -25.586 2.411 1.00 0.00 C ATOM 1055 CE LYS A 816 -4.692 -26.978 2.975 1.00 0.00 C ATOM 1056 NZ LYS A 816 -4.412 -26.926 4.432 1.00 0.00 N ATOM 0 H LYS A 816 -7.086 -24.012 -0.283 1.00 0.00 H new ATOM 0 HA LYS A 816 -9.020 -26.034 0.645 1.00 0.00 H new ATOM 0 HB2 LYS A 816 -7.002 -27.145 1.484 1.00 0.00 H new ATOM 0 HB3 LYS A 816 -6.896 -26.827 -0.236 1.00 0.00 H new ATOM 0 HG2 LYS A 816 -4.766 -26.249 0.386 1.00 0.00 H new ATOM 0 HG3 LYS A 816 -5.540 -24.683 0.530 1.00 0.00 H new ATOM 0 HD2 LYS A 816 -4.154 -24.942 2.468 1.00 0.00 H new ATOM 0 HD3 LYS A 816 -5.808 -25.122 3.020 1.00 0.00 H new ATOM 0 HE2 LYS A 816 -5.522 -27.659 2.788 1.00 0.00 H new ATOM 0 HE3 LYS A 816 -3.825 -27.381 2.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 816 -4.105 -27.864 4.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 816 -3.660 -26.231 4.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 816 -5.274 -26.646 4.941 1.00 0.00 H new ATOM 1070 N HIS A 817 -8.998 -25.674 3.129 1.00 0.00 N ATOM 1071 CA HIS A 817 -9.277 -25.306 4.522 1.00 0.00 C ATOM 1072 C HIS A 817 -8.035 -25.443 5.431 1.00 0.00 C ATOM 1073 O HIS A 817 -7.074 -26.141 5.098 1.00 0.00 O ATOM 1074 CB HIS A 817 -10.427 -26.176 5.062 1.00 0.00 C ATOM 1075 CG HIS A 817 -11.703 -26.137 4.247 1.00 0.00 C ATOM 1076 ND1 HIS A 817 -12.512 -27.212 3.954 1.00 0.00 N ATOM 1077 CD2 HIS A 817 -12.292 -25.028 3.694 1.00 0.00 C ATOM 1078 CE1 HIS A 817 -13.562 -26.763 3.250 1.00 0.00 C ATOM 1079 NE2 HIS A 817 -13.477 -25.426 3.062 1.00 0.00 N ATOM 0 H HIS A 817 -9.315 -26.613 2.890 1.00 0.00 H new ATOM 0 HA HIS A 817 -9.564 -24.255 4.534 1.00 0.00 H new ATOM 0 HB2 HIS A 817 -10.083 -27.209 5.120 1.00 0.00 H new ATOM 0 HB3 HIS A 817 -10.655 -25.858 6.079 1.00 0.00 H new ATOM 0 HD2 HIS A 817 -11.907 -24.020 3.738 1.00 0.00 H new ATOM 0 HE1 HIS A 817 -14.366 -27.384 2.883 1.00 0.00 H new ATOM 0 HE2 HIS A 817 -14.139 -24.831 2.563 1.00 0.00 H new ATOM 1087 N CYS A 818 -8.068 -24.817 6.610 1.00 0.00 N ATOM 1088 CA CYS A 818 -7.022 -24.940 7.624 1.00 0.00 C ATOM 1089 C CYS A 818 -6.876 -26.387 8.135 1.00 0.00 C ATOM 1090 O CYS A 818 -7.853 -27.076 8.432 1.00 0.00 O ATOM 1091 CB CYS A 818 -7.342 -23.951 8.744 1.00 0.00 C ATOM 1092 SG CYS A 818 -6.064 -23.984 10.039 1.00 0.00 S ATOM 0 H CYS A 818 -8.833 -24.203 6.889 1.00 0.00 H new ATOM 0 HA CYS A 818 -6.052 -24.698 7.191 1.00 0.00 H new ATOM 0 HB2 CYS A 818 -7.420 -22.945 8.332 1.00 0.00 H new ATOM 0 HB3 CYS A 818 -8.311 -24.193 9.180 1.00 0.00 H new ATOM 0 HG CYS A 818 -5.817 -22.771 10.436 1.00 0.00 H new ATOM 1097 N SER A 819 -5.637 -26.851 8.264 1.00 0.00 N ATOM 1098 CA SER A 819 -5.276 -28.160 8.828 1.00 0.00 C ATOM 1099 C SER A 819 -5.224 -28.189 10.368 1.00 0.00 C ATOM 1100 O SER A 819 -5.120 -29.273 10.952 1.00 0.00 O ATOM 1101 CB SER A 819 -3.929 -28.600 8.232 1.00 0.00 C ATOM 1102 OG SER A 819 -2.969 -27.542 8.226 1.00 0.00 O ATOM 0 H SER A 819 -4.823 -26.311 7.970 1.00 0.00 H new ATOM 0 HA SER A 819 -6.068 -28.858 8.556 1.00 0.00 H new ATOM 0 HB2 SER A 819 -3.537 -29.440 8.805 1.00 0.00 H new ATOM 0 HB3 SER A 819 -4.083 -28.954 7.213 1.00 0.00 H new ATOM 0 HG SER A 819 -2.563 -27.463 9.115 1.00 0.00 H new ATOM 1108 N THR A 820 -5.321 -27.026 11.034 1.00 0.00 N ATOM 1109 CA THR A 820 -5.243 -26.889 12.503 1.00 0.00 C ATOM 1110 C THR A 820 -6.616 -26.637 13.132 1.00 0.00 C ATOM 1111 O THR A 820 -6.929 -27.288 14.130 1.00 0.00 O ATOM 1112 CB THR A 820 -4.242 -25.785 12.872 1.00 0.00 C ATOM 1113 OG1 THR A 820 -2.968 -26.137 12.361 1.00 0.00 O ATOM 1114 CG2 THR A 820 -4.083 -25.573 14.378 1.00 0.00 C ATOM 0 H THR A 820 -5.459 -26.134 10.558 1.00 0.00 H new ATOM 0 HA THR A 820 -4.887 -27.834 12.913 1.00 0.00 H new ATOM 0 HB THR A 820 -4.633 -24.862 12.444 1.00 0.00 H new ATOM 0 HG1 THR A 820 -2.320 -25.438 12.589 1.00 0.00 H new ATOM 0 HG21 THR A 820 -3.360 -24.778 14.559 1.00 0.00 H new ATOM 0 HG22 THR A 820 -5.044 -25.295 14.810 1.00 0.00 H new ATOM 0 HG23 THR A 820 -3.731 -26.495 14.840 1.00 0.00 H new ATOM 1122 N CYS A 821 -7.442 -25.744 12.564 1.00 0.00 N ATOM 1123 CA CYS A 821 -8.759 -25.377 13.124 1.00 0.00 C ATOM 1124 C CYS A 821 -9.976 -25.613 12.192 1.00 0.00 C ATOM 1125 O CYS A 821 -11.121 -25.648 12.663 1.00 0.00 O ATOM 1126 CB CYS A 821 -8.702 -23.943 13.671 1.00 0.00 C ATOM 1127 SG CYS A 821 -8.602 -22.656 12.389 1.00 0.00 S ATOM 0 H CYS A 821 -7.217 -25.252 11.699 1.00 0.00 H new ATOM 0 HA CYS A 821 -8.947 -26.075 13.940 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -9.587 -23.764 14.281 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -7.838 -23.852 14.329 1.00 0.00 H new ATOM 0 HG CYS A 821 -7.746 -23.015 11.479 1.00 0.00 H new ATOM 1132 N GLY A 822 -9.754 -25.842 10.891 1.00 0.00 N ATOM 1133 CA GLY A 822 -10.749 -26.385 9.942 1.00 0.00 C ATOM 1134 C GLY A 822 -11.581 -25.363 9.160 1.00 0.00 C ATOM 1135 O GLY A 822 -12.343 -25.767 8.277 1.00 0.00 O ATOM 0 H GLY A 822 -8.853 -25.651 10.452 1.00 0.00 H new ATOM 0 HA2 GLY A 822 -10.226 -27.018 9.225 1.00 0.00 H new ATOM 0 HA3 GLY A 822 -11.433 -27.028 10.496 1.00 0.00 H new ATOM 1139 N LEU A 823 -11.463 -24.064 9.459 1.00 0.00 N ATOM 1140 CA LEU A 823 -12.167 -22.981 8.754 1.00 0.00 C ATOM 1141 C LEU A 823 -11.387 -22.448 7.530 1.00 0.00 C ATOM 1142 O LEU A 823 -10.414 -23.061 7.082 1.00 0.00 O ATOM 1143 CB LEU A 823 -12.606 -21.904 9.779 1.00 0.00 C ATOM 1144 CG LEU A 823 -11.524 -21.270 10.687 1.00 0.00 C ATOM 1145 CD1 LEU A 823 -10.320 -20.693 9.928 1.00 0.00 C ATOM 1146 CD2 LEU A 823 -12.163 -20.157 11.530 1.00 0.00 C ATOM 0 H LEU A 823 -10.864 -23.727 10.213 1.00 0.00 H new ATOM 0 HA LEU A 823 -13.076 -23.375 8.301 1.00 0.00 H new ATOM 0 HB2 LEU A 823 -13.091 -21.098 9.228 1.00 0.00 H new ATOM 0 HB3 LEU A 823 -13.363 -22.349 10.425 1.00 0.00 H new ATOM 0 HG LEU A 823 -11.137 -22.078 11.308 1.00 0.00 H new ATOM 0 HD11 LEU A 823 -9.611 -20.269 10.639 1.00 0.00 H new ATOM 0 HD12 LEU A 823 -9.834 -21.486 9.360 1.00 0.00 H new ATOM 0 HD13 LEU A 823 -10.659 -19.914 9.246 1.00 0.00 H new ATOM 0 HD21 LEU A 823 -11.406 -19.706 12.172 1.00 0.00 H new ATOM 0 HD22 LEU A 823 -12.580 -19.395 10.871 1.00 0.00 H new ATOM 0 HD23 LEU A 823 -12.957 -20.578 12.146 1.00 0.00 H new ATOM 1158 N PHE A 824 -11.829 -21.300 6.994 1.00 0.00 N ATOM 1159 CA PHE A 824 -11.223 -20.607 5.855 1.00 0.00 C ATOM 1160 C PHE A 824 -11.071 -19.106 6.167 1.00 0.00 C ATOM 1161 O PHE A 824 -12.020 -18.329 6.047 1.00 0.00 O ATOM 1162 CB PHE A 824 -12.098 -20.865 4.620 1.00 0.00 C ATOM 1163 CG PHE A 824 -11.452 -20.484 3.303 1.00 0.00 C ATOM 1164 CD1 PHE A 824 -10.588 -21.391 2.665 1.00 0.00 C ATOM 1165 CD2 PHE A 824 -11.728 -19.235 2.702 1.00 0.00 C ATOM 1166 CE1 PHE A 824 -10.035 -21.071 1.414 1.00 0.00 C ATOM 1167 CE2 PHE A 824 -11.160 -18.910 1.459 1.00 0.00 C ATOM 1168 CZ PHE A 824 -10.329 -19.834 0.805 1.00 0.00 C ATOM 0 H PHE A 824 -12.649 -20.814 7.358 1.00 0.00 H new ATOM 0 HA PHE A 824 -10.220 -20.984 5.656 1.00 0.00 H new ATOM 0 HB2 PHE A 824 -12.359 -21.923 4.590 1.00 0.00 H new ATOM 0 HB3 PHE A 824 -13.030 -20.310 4.728 1.00 0.00 H new ATOM 0 HD1 PHE A 824 -10.350 -22.333 3.136 1.00 0.00 H new ATOM 0 HD2 PHE A 824 -12.377 -18.529 3.199 1.00 0.00 H new ATOM 0 HE1 PHE A 824 -9.383 -21.774 0.917 1.00 0.00 H new ATOM 0 HE2 PHE A 824 -11.362 -17.950 1.007 1.00 0.00 H new ATOM 0 HZ PHE A 824 -9.915 -19.597 -0.164 1.00 0.00 H new ATOM 1178 N LYS A 825 -9.875 -18.704 6.617 1.00 0.00 N ATOM 1179 CA LYS A 825 -9.531 -17.332 7.045 1.00 0.00 C ATOM 1180 C LYS A 825 -8.078 -16.946 6.668 1.00 0.00 C ATOM 1181 O LYS A 825 -7.403 -16.212 7.399 1.00 0.00 O ATOM 1182 CB LYS A 825 -9.809 -17.165 8.563 1.00 0.00 C ATOM 1183 CG LYS A 825 -11.290 -17.161 8.984 1.00 0.00 C ATOM 1184 CD LYS A 825 -12.061 -15.936 8.462 1.00 0.00 C ATOM 1185 CE LYS A 825 -13.540 -15.967 8.850 1.00 0.00 C ATOM 1186 NZ LYS A 825 -14.309 -16.994 8.101 1.00 0.00 N ATOM 0 H LYS A 825 -9.087 -19.346 6.698 1.00 0.00 H new ATOM 0 HA LYS A 825 -10.171 -16.636 6.503 1.00 0.00 H new ATOM 0 HB2 LYS A 825 -9.303 -17.971 9.095 1.00 0.00 H new ATOM 0 HB3 LYS A 825 -9.356 -16.231 8.894 1.00 0.00 H new ATOM 0 HG2 LYS A 825 -11.769 -18.068 8.616 1.00 0.00 H new ATOM 0 HG3 LYS A 825 -11.353 -17.186 10.072 1.00 0.00 H new ATOM 0 HD2 LYS A 825 -11.604 -15.028 8.856 1.00 0.00 H new ATOM 0 HD3 LYS A 825 -11.974 -15.891 7.376 1.00 0.00 H new ATOM 0 HE2 LYS A 825 -13.627 -16.162 9.919 1.00 0.00 H new ATOM 0 HE3 LYS A 825 -13.979 -14.986 8.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 825 -15.078 -16.535 7.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 825 -13.677 -17.485 7.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 825 -14.711 -17.682 8.769 1.00 0.00 H new ATOM 1200 N TRP A 826 -7.563 -17.473 5.550 1.00 0.00 N ATOM 1201 CA TRP A 826 -6.222 -17.160 5.041 1.00 0.00 C ATOM 1202 C TRP A 826 -6.032 -15.665 4.721 1.00 0.00 C ATOM 1203 O TRP A 826 -6.914 -15.015 4.158 1.00 0.00 O ATOM 1204 CB TRP A 826 -5.931 -18.001 3.786 1.00 0.00 C ATOM 1205 CG TRP A 826 -5.943 -19.484 3.990 1.00 0.00 C ATOM 1206 CD1 TRP A 826 -6.802 -20.345 3.404 1.00 0.00 C ATOM 1207 CD2 TRP A 826 -5.051 -20.304 4.807 1.00 0.00 C ATOM 1208 NE1 TRP A 826 -6.512 -21.638 3.804 1.00 0.00 N ATOM 1209 CE2 TRP A 826 -5.447 -21.669 4.680 1.00 0.00 C ATOM 1210 CE3 TRP A 826 -3.946 -20.029 5.647 1.00 0.00 C ATOM 1211 CZ2 TRP A 826 -4.791 -22.709 5.359 1.00 0.00 C ATOM 1212 CZ3 TRP A 826 -3.280 -21.066 6.329 1.00 0.00 C ATOM 1213 CH2 TRP A 826 -3.702 -22.400 6.195 1.00 0.00 C ATOM 0 H TRP A 826 -8.072 -18.137 4.967 1.00 0.00 H new ATOM 0 HA TRP A 826 -5.517 -17.407 5.835 1.00 0.00 H new ATOM 0 HB2 TRP A 826 -6.667 -17.750 3.023 1.00 0.00 H new ATOM 0 HB3 TRP A 826 -4.955 -17.713 3.394 1.00 0.00 H new ATOM 0 HD1 TRP A 826 -7.595 -20.067 2.726 1.00 0.00 H new ATOM 0 HE1 TRP A 826 -7.022 -22.464 3.490 1.00 0.00 H new ATOM 0 HE3 TRP A 826 -3.609 -19.010 5.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 826 -5.118 -23.732 5.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 826 -2.436 -20.834 6.962 1.00 0.00 H new ATOM 0 HH2 TRP A 826 -3.192 -23.186 6.732 1.00 0.00 H new ATOM 1224 N GLU A 827 -4.846 -15.148 5.040 1.00 0.00 N ATOM 1225 CA GLU A 827 -4.377 -13.802 4.728 1.00 0.00 C ATOM 1226 C GLU A 827 -3.012 -13.891 4.031 1.00 0.00 C ATOM 1227 O GLU A 827 -2.125 -14.597 4.515 1.00 0.00 O ATOM 1228 CB GLU A 827 -4.276 -13.007 6.041 1.00 0.00 C ATOM 1229 CG GLU A 827 -3.721 -11.588 5.854 1.00 0.00 C ATOM 1230 CD GLU A 827 -3.912 -10.740 7.121 1.00 0.00 C ATOM 1231 OE1 GLU A 827 -3.060 -10.814 8.038 1.00 0.00 O ATOM 1232 OE2 GLU A 827 -4.913 -9.986 7.207 1.00 0.00 O ATOM 0 H GLU A 827 -4.149 -15.689 5.552 1.00 0.00 H new ATOM 0 HA GLU A 827 -5.070 -13.295 4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 827 -5.264 -12.945 6.497 1.00 0.00 H new ATOM 0 HB3 GLU A 827 -3.637 -13.550 6.738 1.00 0.00 H new ATOM 0 HG2 GLU A 827 -2.661 -11.640 5.606 1.00 0.00 H new ATOM 0 HG3 GLU A 827 -4.222 -11.107 5.014 1.00 0.00 H new ATOM 1239 N ARG A 828 -2.829 -13.169 2.918 1.00 0.00 N ATOM 1240 CA ARG A 828 -1.554 -13.112 2.197 1.00 0.00 C ATOM 1241 C ARG A 828 -0.505 -12.392 3.047 1.00 0.00 C ATOM 1242 O ARG A 828 -0.736 -11.279 3.523 1.00 0.00 O ATOM 1243 CB ARG A 828 -1.725 -12.453 0.819 1.00 0.00 C ATOM 1244 CG ARG A 828 -0.439 -12.529 -0.028 1.00 0.00 C ATOM 1245 CD ARG A 828 -0.653 -12.064 -1.477 1.00 0.00 C ATOM 1246 NE ARG A 828 -1.127 -10.666 -1.547 1.00 0.00 N ATOM 1247 CZ ARG A 828 -0.402 -9.570 -1.746 1.00 0.00 C ATOM 1248 NH1 ARG A 828 0.888 -9.585 -2.013 1.00 0.00 N ATOM 1249 NH2 ARG A 828 -0.990 -8.397 -1.667 1.00 0.00 N ATOM 0 H ARG A 828 -3.565 -12.606 2.492 1.00 0.00 H new ATOM 0 HA ARG A 828 -1.205 -14.129 2.019 1.00 0.00 H new ATOM 0 HB2 ARG A 828 -2.540 -12.941 0.284 1.00 0.00 H new ATOM 0 HB3 ARG A 828 -2.010 -11.409 0.950 1.00 0.00 H new ATOM 0 HG2 ARG A 828 0.333 -11.915 0.436 1.00 0.00 H new ATOM 0 HG3 ARG A 828 -0.071 -13.555 -0.031 1.00 0.00 H new ATOM 0 HD2 ARG A 828 0.282 -12.158 -2.029 1.00 0.00 H new ATOM 0 HD3 ARG A 828 -1.377 -12.717 -1.964 1.00 0.00 H new ATOM 0 HE ARG A 828 -2.130 -10.525 -1.428 1.00 0.00 H new ATOM 0 HH11 ARG A 828 1.385 -10.473 -2.077 1.00 0.00 H new ATOM 0 HH12 ARG A 828 1.389 -8.708 -2.156 1.00 0.00 H new ATOM 0 HH21 ARG A 828 -1.986 -8.339 -1.456 1.00 0.00 H new ATOM 0 HH22 ARG A 828 -0.450 -7.545 -1.817 1.00 0.00 H new ATOM 1263 N VAL A 829 0.660 -13.014 3.204 1.00 0.00 N ATOM 1264 CA VAL A 829 1.833 -12.499 3.937 1.00 0.00 C ATOM 1265 C VAL A 829 3.099 -12.630 3.071 1.00 0.00 C ATOM 1266 O VAL A 829 3.078 -13.251 2.007 1.00 0.00 O ATOM 1267 CB VAL A 829 2.014 -13.199 5.306 1.00 0.00 C ATOM 1268 CG1 VAL A 829 0.844 -12.901 6.253 1.00 0.00 C ATOM 1269 CG2 VAL A 829 2.210 -14.722 5.199 1.00 0.00 C ATOM 0 H VAL A 829 0.829 -13.938 2.807 1.00 0.00 H new ATOM 0 HA VAL A 829 1.661 -11.443 4.145 1.00 0.00 H new ATOM 0 HB VAL A 829 2.932 -12.780 5.717 1.00 0.00 H new ATOM 0 HG11 VAL A 829 1.007 -13.409 7.203 1.00 0.00 H new ATOM 0 HG12 VAL A 829 0.778 -11.826 6.423 1.00 0.00 H new ATOM 0 HG13 VAL A 829 -0.085 -13.255 5.806 1.00 0.00 H new ATOM 0 HG21 VAL A 829 2.330 -15.144 6.197 1.00 0.00 H new ATOM 0 HG22 VAL A 829 1.339 -15.168 4.719 1.00 0.00 H new ATOM 0 HG23 VAL A 829 3.100 -14.934 4.606 1.00 0.00 H new ATOM 1279 N GLY A 830 4.211 -12.035 3.523 1.00 0.00 N ATOM 1280 CA GLY A 830 5.497 -12.056 2.822 1.00 0.00 C ATOM 1281 C GLY A 830 6.499 -13.052 3.403 1.00 0.00 C ATOM 1282 O GLY A 830 6.416 -13.404 4.580 1.00 0.00 O ATOM 0 H GLY A 830 4.240 -11.517 4.401 1.00 0.00 H new ATOM 0 HA2 GLY A 830 5.325 -12.298 1.773 1.00 0.00 H new ATOM 0 HA3 GLY A 830 5.933 -11.057 2.851 1.00 0.00 H new