USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=26 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 60:sc= -0.838 USER MOD Set 1.2: A 803 CYS SG : rot -76:sc= 0.438 USER MOD Set 1.3: A 805 ASN : amide:sc= 1.31 K(o=3.8,f=0.76) USER MOD Set 1.4: A 818 CYS SG : rot 136:sc= 2.79 USER MOD Set 1.5: A 821 CYS SG : rot -44:sc= 0.0743 USER MOD Set 2.1: A 807 THR OG1 : rot -146:sc= 0.381 USER MOD Set 2.2: A 816 LYS NZ :NH3+ -169:sc= 0.403 (180deg=0) USER MOD Set 3.1: A 763 CYS SG : rot 149:sc= -0.0586 USER MOD Set 3.2: A 796 LYS NZ :NH3+ -164:sc= 0.0151 (180deg=0) USER MOD Set 4.1: A 767 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 774 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 768 CYS SG : rot 167:sc= 0.0218 USER MOD Set 5.2: A 771 CYS SG : rot 80:sc= 0.102 USER MOD Set 5.3: A 773 TYR OH : rot -172:sc= 1.79 USER MOD Set 5.4: A 781 THR OG1 : rot 180:sc= -0.0444 USER MOD Set 5.5: A 782 CYS SG : rot -68:sc= 1.31 USER MOD Set 5.6: A 787 HIS : no HD1:sc= 0.429 K(o=3.6,f=2.3) USER MOD Set 6.1: A 769 LYS NZ :NH3+ -112:sc= 0.0466 (180deg=-0.0134) USER MOD Set 6.2: A 790 HIS : no HD1:sc= 0.0491 X(o=0.096,f=-0.013) 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 770 THR OG1 : rot 180:sc= 0 USER MOD Single : A 772 LYS NZ :NH3+ 177:sc= 1.3 (180deg=1.29) USER MOD Single : A 775 HIS : no HE2:sc= -0.362 K(o=-0.36,f=-1.7) USER MOD Single : A 777 LYS NZ :NH3+ -166:sc= 0.965 (180deg=0.81) USER MOD Single : A 779 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 784 SER OG : rot 180:sc= 0 USER MOD Single : A 786 ASN : amide:sc= 0.0187 X(o=0.019,f=0) USER MOD Single : A 792 HIS : no HE2:sc= 0.0226 X(o=0.023,f=-0.38) USER MOD Single : A 793 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 800 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 809 SER OG : rot 180:sc= 0.021 USER MOD Single : A 815 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 817 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 819 SER OG : rot 180:sc= 0 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 6.322 -8.725 -2.155 1.00 0.00 N ATOM 113 CA ARG A 759 6.286 -9.843 -1.190 1.00 0.00 C ATOM 114 C ARG A 759 5.956 -11.201 -1.826 1.00 0.00 C ATOM 115 O ARG A 759 4.951 -11.852 -1.540 1.00 0.00 O ATOM 116 CB ARG A 759 5.454 -9.476 0.035 1.00 0.00 C ATOM 117 CG ARG A 759 3.942 -9.352 -0.191 1.00 0.00 C ATOM 118 CD ARG A 759 3.345 -8.503 0.926 1.00 0.00 C ATOM 119 NE ARG A 759 1.871 -8.457 0.847 1.00 0.00 N ATOM 120 CZ ARG A 759 1.000 -8.873 1.760 1.00 0.00 C ATOM 121 NH1 ARG A 759 1.369 -9.401 2.903 1.00 0.00 N ATOM 122 NH2 ARG A 759 -0.289 -8.753 1.524 1.00 0.00 N ATOM 0 HA ARG A 759 7.301 -9.999 -0.825 1.00 0.00 H new ATOM 0 HB2 ARG A 759 5.626 -10.228 0.805 1.00 0.00 H new ATOM 0 HB3 ARG A 759 5.821 -8.528 0.428 1.00 0.00 H new ATOM 0 HG2 ARG A 759 3.742 -8.895 -1.160 1.00 0.00 H new ATOM 0 HG3 ARG A 759 3.480 -10.339 -0.202 1.00 0.00 H new ATOM 0 HD2 ARG A 759 3.645 -8.909 1.892 1.00 0.00 H new ATOM 0 HD3 ARG A 759 3.745 -7.491 0.867 1.00 0.00 H new ATOM 0 HE ARG A 759 1.477 -8.061 -0.006 1.00 0.00 H new ATOM 0 HH11 ARG A 759 2.360 -9.506 3.120 1.00 0.00 H new ATOM 0 HH12 ARG A 759 0.665 -9.707 3.575 1.00 0.00 H new ATOM 0 HH21 ARG A 759 -0.611 -8.344 0.647 1.00 0.00 H new ATOM 0 HH22 ARG A 759 -0.966 -9.069 2.218 1.00 0.00 H new ATOM 136 N GLU A 760 6.844 -11.611 -2.714 1.00 0.00 N ATOM 137 CA GLU A 760 6.814 -12.834 -3.523 1.00 0.00 C ATOM 138 C GLU A 760 8.151 -13.065 -4.250 1.00 0.00 C ATOM 139 O GLU A 760 8.993 -12.169 -4.330 1.00 0.00 O ATOM 140 CB GLU A 760 5.631 -12.831 -4.511 1.00 0.00 C ATOM 141 CG GLU A 760 5.542 -11.583 -5.402 1.00 0.00 C ATOM 142 CD GLU A 760 4.307 -11.585 -6.315 1.00 0.00 C ATOM 143 OE1 GLU A 760 3.206 -11.955 -5.845 1.00 0.00 O ATOM 144 OE2 GLU A 760 4.420 -11.185 -7.496 1.00 0.00 O ATOM 0 H GLU A 760 7.677 -11.056 -2.910 1.00 0.00 H new ATOM 0 HA GLU A 760 6.666 -13.669 -2.839 1.00 0.00 H new ATOM 0 HB2 GLU A 760 5.706 -13.712 -5.149 1.00 0.00 H new ATOM 0 HB3 GLU A 760 4.703 -12.924 -3.946 1.00 0.00 H new ATOM 0 HG2 GLU A 760 5.520 -10.694 -4.772 1.00 0.00 H new ATOM 0 HG3 GLU A 760 6.441 -11.516 -6.015 1.00 0.00 H new ATOM 151 N GLN A 761 8.353 -14.274 -4.779 1.00 0.00 N ATOM 152 CA GLN A 761 9.590 -14.672 -5.462 1.00 0.00 C ATOM 153 C GLN A 761 9.321 -15.745 -6.529 1.00 0.00 C ATOM 154 O GLN A 761 8.398 -16.551 -6.398 1.00 0.00 O ATOM 155 CB GLN A 761 10.642 -15.144 -4.439 1.00 0.00 C ATOM 156 CG GLN A 761 10.275 -16.469 -3.741 1.00 0.00 C ATOM 157 CD GLN A 761 11.217 -16.777 -2.582 1.00 0.00 C ATOM 158 OE1 GLN A 761 12.156 -17.559 -2.697 1.00 0.00 O ATOM 159 NE2 GLN A 761 11.014 -16.162 -1.434 1.00 0.00 N ATOM 0 H GLN A 761 7.653 -15.016 -4.745 1.00 0.00 H new ATOM 0 HA GLN A 761 9.989 -13.799 -5.979 1.00 0.00 H new ATOM 0 HB2 GLN A 761 11.600 -15.263 -4.945 1.00 0.00 H new ATOM 0 HB3 GLN A 761 10.774 -14.370 -3.683 1.00 0.00 H new ATOM 0 HG2 GLN A 761 9.251 -16.414 -3.372 1.00 0.00 H new ATOM 0 HG3 GLN A 761 10.310 -17.283 -4.465 1.00 0.00 H new ATOM 0 HE21 GLN A 761 10.235 -15.511 -1.335 1.00 0.00 H new ATOM 0 HE22 GLN A 761 11.636 -16.337 -0.645 1.00 0.00 H new ATOM 168 N SER A 762 10.137 -15.764 -7.583 1.00 0.00 N ATOM 169 CA SER A 762 10.026 -16.730 -8.676 1.00 0.00 C ATOM 170 C SER A 762 10.679 -18.090 -8.343 1.00 0.00 C ATOM 171 O SER A 762 11.663 -18.169 -7.590 1.00 0.00 O ATOM 172 CB SER A 762 10.589 -16.129 -9.975 1.00 0.00 C ATOM 173 OG SER A 762 11.933 -15.676 -9.833 1.00 0.00 O ATOM 0 H SER A 762 10.903 -15.101 -7.703 1.00 0.00 H new ATOM 0 HA SER A 762 8.966 -16.939 -8.821 1.00 0.00 H new ATOM 0 HB2 SER A 762 10.544 -16.877 -10.766 1.00 0.00 H new ATOM 0 HB3 SER A 762 9.960 -15.296 -10.288 1.00 0.00 H new ATOM 0 HG SER A 762 12.245 -15.305 -10.685 1.00 0.00 H new ATOM 179 N CYS A 763 10.136 -19.176 -8.912 1.00 0.00 N ATOM 180 CA CYS A 763 10.517 -20.568 -8.632 1.00 0.00 C ATOM 181 C CYS A 763 10.007 -21.509 -9.741 1.00 0.00 C ATOM 182 O CYS A 763 9.058 -21.167 -10.459 1.00 0.00 O ATOM 183 CB CYS A 763 9.949 -20.939 -7.249 1.00 0.00 C ATOM 184 SG CYS A 763 10.713 -22.459 -6.613 1.00 0.00 S ATOM 0 H CYS A 763 9.392 -19.106 -9.606 1.00 0.00 H new ATOM 0 HA CYS A 763 11.602 -20.676 -8.618 1.00 0.00 H new ATOM 0 HB2 CYS A 763 10.123 -20.121 -6.550 1.00 0.00 H new ATOM 0 HB3 CYS A 763 8.870 -21.073 -7.320 1.00 0.00 H new ATOM 0 HG CYS A 763 10.763 -22.409 -5.315 1.00 0.00 H new ATOM 190 N ARG A 764 10.607 -22.697 -9.872 1.00 0.00 N ATOM 191 CA ARG A 764 10.147 -23.718 -10.820 1.00 0.00 C ATOM 192 C ARG A 764 8.844 -24.378 -10.333 1.00 0.00 C ATOM 193 O ARG A 764 8.682 -24.637 -9.140 1.00 0.00 O ATOM 194 CB ARG A 764 11.263 -24.744 -11.095 1.00 0.00 C ATOM 195 CG ARG A 764 11.121 -25.311 -12.517 1.00 0.00 C ATOM 196 CD ARG A 764 12.130 -26.417 -12.849 1.00 0.00 C ATOM 197 NE ARG A 764 11.879 -27.652 -12.083 1.00 0.00 N ATOM 198 CZ ARG A 764 12.583 -28.777 -12.135 1.00 0.00 C ATOM 199 NH1 ARG A 764 13.694 -28.872 -12.837 1.00 0.00 N ATOM 200 NH2 ARG A 764 12.169 -29.835 -11.470 1.00 0.00 N ATOM 0 H ARG A 764 11.422 -22.977 -9.326 1.00 0.00 H new ATOM 0 HA ARG A 764 9.915 -23.235 -11.769 1.00 0.00 H new ATOM 0 HB2 ARG A 764 12.238 -24.272 -10.979 1.00 0.00 H new ATOM 0 HB3 ARG A 764 11.212 -25.553 -10.366 1.00 0.00 H new ATOM 0 HG2 ARG A 764 10.112 -25.704 -12.642 1.00 0.00 H new ATOM 0 HG3 ARG A 764 11.238 -24.499 -13.235 1.00 0.00 H new ATOM 0 HD2 ARG A 764 12.085 -26.638 -13.915 1.00 0.00 H new ATOM 0 HD3 ARG A 764 13.139 -26.061 -12.639 1.00 0.00 H new ATOM 0 HE ARG A 764 11.082 -27.641 -11.447 1.00 0.00 H new ATOM 0 HH11 ARG A 764 14.036 -28.067 -13.361 1.00 0.00 H new ATOM 0 HH12 ARG A 764 14.212 -29.751 -12.856 1.00 0.00 H new ATOM 0 HH21 ARG A 764 11.312 -29.788 -10.919 1.00 0.00 H new ATOM 0 HH22 ARG A 764 12.705 -30.702 -11.506 1.00 0.00 H new ATOM 214 N VAL A 765 7.925 -24.653 -11.253 1.00 0.00 N ATOM 215 CA VAL A 765 6.541 -25.103 -11.004 1.00 0.00 C ATOM 216 C VAL A 765 6.106 -26.123 -12.062 1.00 0.00 C ATOM 217 O VAL A 765 6.779 -26.295 -13.074 1.00 0.00 O ATOM 218 CB VAL A 765 5.550 -23.910 -10.986 1.00 0.00 C ATOM 219 CG1 VAL A 765 5.828 -22.953 -9.820 1.00 0.00 C ATOM 220 CG2 VAL A 765 5.577 -23.104 -12.291 1.00 0.00 C ATOM 0 H VAL A 765 8.127 -24.566 -12.249 1.00 0.00 H new ATOM 0 HA VAL A 765 6.524 -25.576 -10.022 1.00 0.00 H new ATOM 0 HB VAL A 765 4.563 -24.358 -10.866 1.00 0.00 H new ATOM 0 HG11 VAL A 765 5.112 -22.132 -9.845 1.00 0.00 H new ATOM 0 HG12 VAL A 765 5.731 -23.491 -8.877 1.00 0.00 H new ATOM 0 HG13 VAL A 765 6.839 -22.555 -9.909 1.00 0.00 H new ATOM 0 HG21 VAL A 765 4.865 -22.281 -12.225 1.00 0.00 H new ATOM 0 HG22 VAL A 765 6.579 -22.705 -12.452 1.00 0.00 H new ATOM 0 HG23 VAL A 765 5.306 -23.752 -13.125 1.00 0.00 H new ATOM 230 N VAL A 766 4.990 -26.810 -11.827 1.00 0.00 N ATOM 231 CA VAL A 766 4.564 -27.965 -12.627 1.00 0.00 C ATOM 232 C VAL A 766 3.046 -28.058 -12.761 1.00 0.00 C ATOM 233 O VAL A 766 2.317 -27.943 -11.775 1.00 0.00 O ATOM 234 CB VAL A 766 5.162 -29.272 -12.069 1.00 0.00 C ATOM 235 CG1 VAL A 766 4.865 -29.499 -10.580 1.00 0.00 C ATOM 236 CG2 VAL A 766 4.731 -30.518 -12.853 1.00 0.00 C ATOM 0 H VAL A 766 4.347 -26.581 -11.069 1.00 0.00 H new ATOM 0 HA VAL A 766 4.953 -27.815 -13.634 1.00 0.00 H new ATOM 0 HB VAL A 766 6.236 -29.132 -12.190 1.00 0.00 H new ATOM 0 HG11 VAL A 766 5.317 -30.437 -10.258 1.00 0.00 H new ATOM 0 HG12 VAL A 766 5.280 -28.677 -9.997 1.00 0.00 H new ATOM 0 HG13 VAL A 766 3.787 -29.544 -10.427 1.00 0.00 H new ATOM 0 HG21 VAL A 766 5.186 -31.403 -12.409 1.00 0.00 H new ATOM 0 HG22 VAL A 766 3.646 -30.612 -12.818 1.00 0.00 H new ATOM 0 HG23 VAL A 766 5.054 -30.425 -13.890 1.00 0.00 H new ATOM 246 N THR A 767 2.590 -28.289 -13.997 1.00 0.00 N ATOM 247 CA THR A 767 1.185 -28.506 -14.362 1.00 0.00 C ATOM 248 C THR A 767 0.952 -29.987 -14.620 1.00 0.00 C ATOM 249 O THR A 767 1.492 -30.499 -15.604 1.00 0.00 O ATOM 250 CB THR A 767 0.823 -27.687 -15.611 1.00 0.00 C ATOM 251 OG1 THR A 767 1.138 -26.331 -15.381 1.00 0.00 O ATOM 252 CG2 THR A 767 -0.666 -27.772 -15.954 1.00 0.00 C ATOM 0 H THR A 767 3.214 -28.332 -14.803 1.00 0.00 H new ATOM 0 HA THR A 767 0.548 -28.178 -13.540 1.00 0.00 H new ATOM 0 HB THR A 767 1.393 -28.100 -16.444 1.00 0.00 H new ATOM 0 HG1 THR A 767 0.911 -25.803 -16.175 1.00 0.00 H new ATOM 0 HG21 THR A 767 -0.869 -27.176 -16.844 1.00 0.00 H new ATOM 0 HG22 THR A 767 -0.937 -28.811 -16.143 1.00 0.00 H new ATOM 0 HG23 THR A 767 -1.254 -27.390 -15.120 1.00 0.00 H new ATOM 260 N CYS A 768 0.129 -30.655 -13.803 1.00 0.00 N ATOM 261 CA CYS A 768 -0.405 -31.981 -14.130 1.00 0.00 C ATOM 262 C CYS A 768 -1.470 -31.820 -15.222 1.00 0.00 C ATOM 263 O CYS A 768 -2.439 -31.071 -15.067 1.00 0.00 O ATOM 264 CB CYS A 768 -0.977 -32.663 -12.877 1.00 0.00 C ATOM 265 SG CYS A 768 -1.556 -34.354 -13.274 1.00 0.00 S ATOM 0 H CYS A 768 -0.184 -30.294 -12.902 1.00 0.00 H new ATOM 0 HA CYS A 768 0.393 -32.624 -14.501 1.00 0.00 H new ATOM 0 HB2 CYS A 768 -0.214 -32.707 -12.100 1.00 0.00 H new ATOM 0 HB3 CYS A 768 -1.803 -32.073 -12.480 1.00 0.00 H new ATOM 0 HG CYS A 768 -1.765 -35.011 -12.172 1.00 0.00 H new ATOM 270 N LYS A 769 -1.290 -32.511 -16.344 1.00 0.00 N ATOM 271 CA LYS A 769 -2.196 -32.447 -17.493 1.00 0.00 C ATOM 272 C LYS A 769 -3.457 -33.308 -17.292 1.00 0.00 C ATOM 273 O LYS A 769 -4.502 -33.036 -17.898 1.00 0.00 O ATOM 274 CB LYS A 769 -1.420 -32.856 -18.762 1.00 0.00 C ATOM 275 CG LYS A 769 -0.086 -32.109 -18.981 1.00 0.00 C ATOM 276 CD LYS A 769 -0.193 -30.571 -19.014 1.00 0.00 C ATOM 277 CE LYS A 769 -0.964 -30.030 -20.231 1.00 0.00 C ATOM 278 NZ LYS A 769 -0.233 -30.261 -21.507 1.00 0.00 N ATOM 0 H LYS A 769 -0.500 -33.141 -16.485 1.00 0.00 H new ATOM 0 HA LYS A 769 -2.553 -31.423 -17.602 1.00 0.00 H new ATOM 0 HB2 LYS A 769 -1.217 -33.926 -18.716 1.00 0.00 H new ATOM 0 HB3 LYS A 769 -2.059 -32.690 -19.630 1.00 0.00 H new ATOM 0 HG2 LYS A 769 0.605 -32.392 -18.187 1.00 0.00 H new ATOM 0 HG3 LYS A 769 0.351 -32.447 -19.920 1.00 0.00 H new ATOM 0 HD2 LYS A 769 -0.685 -30.230 -18.103 1.00 0.00 H new ATOM 0 HD3 LYS A 769 0.811 -30.146 -19.013 1.00 0.00 H new ATOM 0 HE2 LYS A 769 -1.942 -30.509 -20.282 1.00 0.00 H new ATOM 0 HE3 LYS A 769 -1.139 -28.962 -20.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 769 0.082 -29.350 -21.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 769 0.594 -30.865 -21.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 769 -0.864 -30.730 -22.188 1.00 0.00 H new ATOM 292 N THR A 770 -3.378 -34.329 -16.425 1.00 0.00 N ATOM 293 CA THR A 770 -4.477 -35.249 -16.102 1.00 0.00 C ATOM 294 C THR A 770 -5.496 -34.583 -15.176 1.00 0.00 C ATOM 295 O THR A 770 -6.687 -34.628 -15.486 1.00 0.00 O ATOM 296 CB THR A 770 -3.915 -36.551 -15.509 1.00 0.00 C ATOM 297 OG1 THR A 770 -2.910 -37.058 -16.364 1.00 0.00 O ATOM 298 CG2 THR A 770 -4.985 -37.625 -15.342 1.00 0.00 C ATOM 0 H THR A 770 -2.521 -34.543 -15.914 1.00 0.00 H new ATOM 0 HA THR A 770 -5.009 -35.504 -17.019 1.00 0.00 H new ATOM 0 HB THR A 770 -3.517 -36.310 -14.524 1.00 0.00 H new ATOM 0 HG1 THR A 770 -2.548 -37.887 -15.988 1.00 0.00 H new ATOM 0 HG21 THR A 770 -4.536 -38.524 -14.920 1.00 0.00 H new ATOM 0 HG22 THR A 770 -5.765 -37.261 -14.673 1.00 0.00 H new ATOM 0 HG23 THR A 770 -5.420 -37.859 -16.314 1.00 0.00 H new ATOM 306 N CYS A 771 -5.046 -33.915 -14.105 1.00 0.00 N ATOM 307 CA CYS A 771 -5.908 -33.266 -13.105 1.00 0.00 C ATOM 308 C CYS A 771 -6.120 -31.748 -13.369 1.00 0.00 C ATOM 309 O CYS A 771 -7.001 -31.126 -12.769 1.00 0.00 O ATOM 310 CB CYS A 771 -5.273 -33.480 -11.727 1.00 0.00 C ATOM 311 SG CYS A 771 -5.028 -35.245 -11.310 1.00 0.00 S ATOM 0 H CYS A 771 -4.052 -33.808 -13.905 1.00 0.00 H new ATOM 0 HA CYS A 771 -6.898 -33.719 -13.162 1.00 0.00 H new ATOM 0 HB2 CYS A 771 -4.311 -32.969 -11.695 1.00 0.00 H new ATOM 0 HB3 CYS A 771 -5.905 -33.019 -10.968 1.00 0.00 H new ATOM 0 HG CYS A 771 -3.959 -35.687 -11.903 1.00 0.00 H new ATOM 316 N LYS A 772 -5.297 -31.152 -14.243 1.00 0.00 N ATOM 317 CA LYS A 772 -5.321 -29.738 -14.683 1.00 0.00 C ATOM 318 C LYS A 772 -4.921 -28.725 -13.577 1.00 0.00 C ATOM 319 O LYS A 772 -5.226 -27.530 -13.685 1.00 0.00 O ATOM 320 CB LYS A 772 -6.656 -29.376 -15.388 1.00 0.00 C ATOM 321 CG LYS A 772 -7.001 -30.269 -16.596 1.00 0.00 C ATOM 322 CD LYS A 772 -8.070 -31.327 -16.272 1.00 0.00 C ATOM 323 CE LYS A 772 -8.458 -32.150 -17.507 1.00 0.00 C ATOM 324 NZ LYS A 772 -7.430 -33.162 -17.854 1.00 0.00 N ATOM 0 H LYS A 772 -4.546 -31.673 -14.695 1.00 0.00 H new ATOM 0 HA LYS A 772 -4.533 -29.645 -15.430 1.00 0.00 H new ATOM 0 HB2 LYS A 772 -7.466 -29.440 -14.661 1.00 0.00 H new ATOM 0 HB3 LYS A 772 -6.608 -28.339 -15.720 1.00 0.00 H new ATOM 0 HG2 LYS A 772 -7.353 -29.643 -17.416 1.00 0.00 H new ATOM 0 HG3 LYS A 772 -6.096 -30.768 -16.943 1.00 0.00 H new ATOM 0 HD2 LYS A 772 -7.696 -31.994 -15.495 1.00 0.00 H new ATOM 0 HD3 LYS A 772 -8.956 -30.836 -15.871 1.00 0.00 H new ATOM 0 HE2 LYS A 772 -9.409 -32.650 -17.324 1.00 0.00 H new ATOM 0 HE3 LYS A 772 -8.607 -31.481 -18.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 772 -7.758 -33.727 -18.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 772 -6.542 -32.683 -18.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 772 -7.268 -33.787 -17.038 1.00 0.00 H new ATOM 338 N TYR A 773 -4.234 -29.171 -12.513 1.00 0.00 N ATOM 339 CA TYR A 773 -3.693 -28.290 -11.460 1.00 0.00 C ATOM 340 C TYR A 773 -2.314 -27.714 -11.821 1.00 0.00 C ATOM 341 O TYR A 773 -1.617 -28.277 -12.668 1.00 0.00 O ATOM 342 CB TYR A 773 -3.642 -29.015 -10.101 1.00 0.00 C ATOM 343 CG TYR A 773 -2.654 -30.163 -9.943 1.00 0.00 C ATOM 344 CD1 TYR A 773 -1.262 -29.931 -9.885 1.00 0.00 C ATOM 345 CD2 TYR A 773 -3.132 -31.475 -9.745 1.00 0.00 C ATOM 346 CE1 TYR A 773 -0.362 -30.987 -9.657 1.00 0.00 C ATOM 347 CE2 TYR A 773 -2.244 -32.525 -9.443 1.00 0.00 C ATOM 348 CZ TYR A 773 -0.851 -32.288 -9.416 1.00 0.00 C ATOM 349 OH TYR A 773 0.019 -33.305 -9.169 1.00 0.00 O ATOM 0 H TYR A 773 -4.036 -30.159 -12.356 1.00 0.00 H new ATOM 0 HA TYR A 773 -4.379 -27.447 -11.379 1.00 0.00 H new ATOM 0 HB2 TYR A 773 -3.418 -28.273 -9.334 1.00 0.00 H new ATOM 0 HB3 TYR A 773 -4.639 -29.401 -9.890 1.00 0.00 H new ATOM 0 HD1 TYR A 773 -0.883 -28.928 -10.018 1.00 0.00 H new ATOM 0 HD2 TYR A 773 -4.190 -31.676 -9.826 1.00 0.00 H new ATOM 0 HE1 TYR A 773 0.702 -30.802 -9.666 1.00 0.00 H new ATOM 0 HE2 TYR A 773 -2.628 -33.512 -9.232 1.00 0.00 H new ATOM 0 HH TYR A 773 -0.468 -34.155 -9.150 1.00 0.00 H new ATOM 359 N THR A 774 -1.876 -26.671 -11.095 1.00 0.00 N ATOM 360 CA THR A 774 -0.494 -26.158 -11.113 1.00 0.00 C ATOM 361 C THR A 774 0.025 -26.052 -9.677 1.00 0.00 C ATOM 362 O THR A 774 -0.578 -25.356 -8.863 1.00 0.00 O ATOM 363 CB THR A 774 -0.397 -24.788 -11.807 1.00 0.00 C ATOM 364 OG1 THR A 774 -1.134 -24.805 -13.014 1.00 0.00 O ATOM 365 CG2 THR A 774 1.061 -24.461 -12.142 1.00 0.00 C ATOM 0 H THR A 774 -2.486 -26.149 -10.465 1.00 0.00 H new ATOM 0 HA THR A 774 0.118 -26.857 -11.684 1.00 0.00 H new ATOM 0 HB THR A 774 -0.799 -24.036 -11.128 1.00 0.00 H new ATOM 0 HG1 THR A 774 -1.069 -23.929 -13.449 1.00 0.00 H new ATOM 0 HG21 THR A 774 1.112 -23.489 -12.632 1.00 0.00 H new ATOM 0 HG22 THR A 774 1.648 -24.436 -11.224 1.00 0.00 H new ATOM 0 HG23 THR A 774 1.461 -25.225 -12.808 1.00 0.00 H new ATOM 373 N HIS A 775 1.125 -26.737 -9.374 1.00 0.00 N ATOM 374 CA HIS A 775 1.788 -26.780 -8.057 1.00 0.00 C ATOM 375 C HIS A 775 3.319 -26.585 -8.190 1.00 0.00 C ATOM 376 O HIS A 775 3.849 -26.496 -9.299 1.00 0.00 O ATOM 377 CB HIS A 775 1.484 -28.138 -7.381 1.00 0.00 C ATOM 378 CG HIS A 775 0.056 -28.394 -6.953 1.00 0.00 C ATOM 379 ND1 HIS A 775 -0.524 -29.635 -6.799 1.00 0.00 N ATOM 380 CD2 HIS A 775 -0.889 -27.475 -6.570 1.00 0.00 C ATOM 381 CE1 HIS A 775 -1.783 -29.468 -6.366 1.00 0.00 C ATOM 382 NE2 HIS A 775 -2.058 -28.158 -6.207 1.00 0.00 N ATOM 0 H HIS A 775 1.608 -27.307 -10.068 1.00 0.00 H new ATOM 0 HA HIS A 775 1.402 -25.964 -7.446 1.00 0.00 H new ATOM 0 HB2 HIS A 775 1.777 -28.931 -8.069 1.00 0.00 H new ATOM 0 HB3 HIS A 775 2.121 -28.227 -6.501 1.00 0.00 H new ATOM 0 HD1 HIS A 775 -0.072 -30.530 -6.983 1.00 0.00 H new ATOM 0 HD2 HIS A 775 -0.754 -26.404 -6.551 1.00 0.00 H new ATOM 0 HE1 HIS A 775 -2.479 -30.271 -6.172 1.00 0.00 H new ATOM 390 N PHE A 776 4.044 -26.555 -7.063 1.00 0.00 N ATOM 391 CA PHE A 776 5.518 -26.491 -7.022 1.00 0.00 C ATOM 392 C PHE A 776 6.188 -27.825 -7.404 1.00 0.00 C ATOM 393 O PHE A 776 7.289 -27.843 -7.953 1.00 0.00 O ATOM 394 CB PHE A 776 5.976 -26.089 -5.606 1.00 0.00 C ATOM 395 CG PHE A 776 5.105 -25.085 -4.877 1.00 0.00 C ATOM 396 CD1 PHE A 776 5.162 -23.717 -5.211 1.00 0.00 C ATOM 397 CD2 PHE A 776 4.214 -25.535 -3.884 1.00 0.00 C ATOM 398 CE1 PHE A 776 4.311 -22.809 -4.557 1.00 0.00 C ATOM 399 CE2 PHE A 776 3.372 -24.622 -3.229 1.00 0.00 C ATOM 400 CZ PHE A 776 3.417 -23.261 -3.571 1.00 0.00 C ATOM 0 H PHE A 776 3.618 -26.575 -6.136 1.00 0.00 H new ATOM 0 HA PHE A 776 5.824 -25.748 -7.759 1.00 0.00 H new ATOM 0 HB2 PHE A 776 6.040 -26.992 -4.998 1.00 0.00 H new ATOM 0 HB3 PHE A 776 6.984 -25.680 -5.676 1.00 0.00 H new ATOM 0 HD1 PHE A 776 5.854 -23.369 -5.964 1.00 0.00 H new ATOM 0 HD2 PHE A 776 4.178 -26.583 -3.626 1.00 0.00 H new ATOM 0 HE1 PHE A 776 4.344 -21.760 -4.813 1.00 0.00 H new ATOM 0 HE2 PHE A 776 2.691 -24.966 -2.464 1.00 0.00 H new ATOM 0 HZ PHE A 776 2.763 -22.559 -3.075 1.00 0.00 H new ATOM 410 N LYS A 777 5.516 -28.944 -7.103 1.00 0.00 N ATOM 411 CA LYS A 777 5.928 -30.331 -7.395 1.00 0.00 C ATOM 412 C LYS A 777 4.701 -31.203 -7.758 1.00 0.00 C ATOM 413 O LYS A 777 3.584 -30.852 -7.348 1.00 0.00 O ATOM 414 CB LYS A 777 6.712 -30.897 -6.191 1.00 0.00 C ATOM 415 CG LYS A 777 5.857 -31.109 -4.926 1.00 0.00 C ATOM 416 CD LYS A 777 6.697 -31.785 -3.834 1.00 0.00 C ATOM 417 CE LYS A 777 5.937 -31.957 -2.508 1.00 0.00 C ATOM 418 NZ LYS A 777 4.827 -32.942 -2.589 1.00 0.00 N ATOM 0 H LYS A 777 4.618 -28.908 -6.621 1.00 0.00 H new ATOM 0 HA LYS A 777 6.587 -30.343 -8.263 1.00 0.00 H new ATOM 0 HB2 LYS A 777 7.159 -31.849 -6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 777 7.531 -30.218 -5.953 1.00 0.00 H new ATOM 0 HG2 LYS A 777 5.480 -30.151 -4.567 1.00 0.00 H new ATOM 0 HG3 LYS A 777 4.989 -31.724 -5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 777 7.023 -32.763 -4.188 1.00 0.00 H new ATOM 0 HD3 LYS A 777 7.595 -31.194 -3.657 1.00 0.00 H new ATOM 0 HE2 LYS A 777 6.637 -32.272 -1.734 1.00 0.00 H new ATOM 0 HE3 LYS A 777 5.535 -30.992 -2.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 777 4.213 -32.843 -1.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 777 4.271 -32.769 -3.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 777 5.219 -33.905 -2.617 1.00 0.00 H new ATOM 432 N PRO A 778 4.864 -32.330 -8.482 1.00 0.00 N ATOM 433 CA PRO A 778 3.769 -33.263 -8.709 1.00 0.00 C ATOM 434 C PRO A 778 3.440 -33.985 -7.399 1.00 0.00 C ATOM 435 O PRO A 778 4.322 -34.265 -6.586 1.00 0.00 O ATOM 436 CB PRO A 778 4.263 -34.213 -9.803 1.00 0.00 C ATOM 437 CG PRO A 778 5.775 -34.258 -9.574 1.00 0.00 C ATOM 438 CD PRO A 778 6.096 -32.849 -9.075 1.00 0.00 C ATOM 0 HA PRO A 778 2.846 -32.778 -9.027 1.00 0.00 H new ATOM 0 HB2 PRO A 778 3.813 -35.201 -9.711 1.00 0.00 H new ATOM 0 HB3 PRO A 778 4.018 -33.842 -10.798 1.00 0.00 H new ATOM 0 HG2 PRO A 778 6.049 -35.017 -8.841 1.00 0.00 H new ATOM 0 HG3 PRO A 778 6.314 -34.493 -10.492 1.00 0.00 H new ATOM 0 HD2 PRO A 778 6.901 -32.871 -8.341 1.00 0.00 H new ATOM 0 HD3 PRO A 778 6.430 -32.213 -9.895 1.00 0.00 H new ATOM 446 N LYS A 779 2.157 -34.277 -7.175 1.00 0.00 N ATOM 447 CA LYS A 779 1.710 -35.027 -5.995 1.00 0.00 C ATOM 448 C LYS A 779 2.262 -36.462 -5.985 1.00 0.00 C ATOM 449 O LYS A 779 2.506 -37.072 -7.033 1.00 0.00 O ATOM 450 CB LYS A 779 0.174 -35.044 -5.917 1.00 0.00 C ATOM 451 CG LYS A 779 -0.443 -33.665 -5.636 1.00 0.00 C ATOM 452 CD LYS A 779 -1.978 -33.695 -5.726 1.00 0.00 C ATOM 453 CE LYS A 779 -2.591 -34.629 -4.676 1.00 0.00 C ATOM 454 NZ LYS A 779 -4.073 -34.675 -4.775 1.00 0.00 N ATOM 0 H LYS A 779 1.401 -34.003 -7.802 1.00 0.00 H new ATOM 0 HA LYS A 779 2.104 -34.517 -5.116 1.00 0.00 H new ATOM 0 HB2 LYS A 779 -0.225 -35.427 -6.856 1.00 0.00 H new ATOM 0 HB3 LYS A 779 -0.134 -35.737 -5.134 1.00 0.00 H new ATOM 0 HG2 LYS A 779 -0.144 -33.329 -4.643 1.00 0.00 H new ATOM 0 HG3 LYS A 779 -0.052 -32.940 -6.349 1.00 0.00 H new ATOM 0 HD2 LYS A 779 -2.370 -32.687 -5.589 1.00 0.00 H new ATOM 0 HD3 LYS A 779 -2.278 -34.021 -6.722 1.00 0.00 H new ATOM 0 HE2 LYS A 779 -2.187 -35.633 -4.803 1.00 0.00 H new ATOM 0 HE3 LYS A 779 -2.304 -34.294 -3.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 779 -4.450 -35.317 -4.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 779 -4.460 -33.721 -4.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 779 -4.347 -35.019 -5.717 1.00 0.00 H new ATOM 468 N GLU A 780 2.379 -37.046 -4.796 1.00 0.00 N ATOM 469 CA GLU A 780 2.835 -38.425 -4.595 1.00 0.00 C ATOM 470 C GLU A 780 1.877 -39.431 -5.261 1.00 0.00 C ATOM 471 O GLU A 780 2.330 -40.430 -5.825 1.00 0.00 O ATOM 472 CB GLU A 780 2.987 -38.715 -3.084 1.00 0.00 C ATOM 473 CG GLU A 780 4.166 -37.979 -2.411 1.00 0.00 C ATOM 474 CD GLU A 780 4.050 -36.440 -2.414 1.00 0.00 C ATOM 475 OE1 GLU A 780 2.926 -35.898 -2.268 1.00 0.00 O ATOM 476 OE2 GLU A 780 5.088 -35.756 -2.587 1.00 0.00 O ATOM 0 H GLU A 780 2.155 -36.566 -3.924 1.00 0.00 H new ATOM 0 HA GLU A 780 3.809 -38.542 -5.071 1.00 0.00 H new ATOM 0 HB2 GLU A 780 2.063 -38.436 -2.578 1.00 0.00 H new ATOM 0 HB3 GLU A 780 3.116 -39.788 -2.943 1.00 0.00 H new ATOM 0 HG2 GLU A 780 4.250 -38.322 -1.380 1.00 0.00 H new ATOM 0 HG3 GLU A 780 5.089 -38.261 -2.917 1.00 0.00 H new ATOM 483 N THR A 781 0.573 -39.120 -5.296 1.00 0.00 N ATOM 484 CA THR A 781 -0.440 -39.851 -6.065 1.00 0.00 C ATOM 485 C THR A 781 -0.177 -39.752 -7.562 1.00 0.00 C ATOM 486 O THR A 781 -0.203 -40.775 -8.240 1.00 0.00 O ATOM 487 CB THR A 781 -1.852 -39.344 -5.737 1.00 0.00 C ATOM 488 OG1 THR A 781 -1.877 -37.931 -5.731 1.00 0.00 O ATOM 489 CG2 THR A 781 -2.299 -39.834 -4.369 1.00 0.00 C ATOM 0 H THR A 781 0.186 -38.332 -4.776 1.00 0.00 H new ATOM 0 HA THR A 781 -0.374 -40.900 -5.777 1.00 0.00 H new ATOM 0 HB THR A 781 -2.526 -39.729 -6.502 1.00 0.00 H new ATOM 0 HG1 THR A 781 -2.783 -37.621 -5.522 1.00 0.00 H new ATOM 0 HG21 THR A 781 -3.302 -39.462 -4.159 1.00 0.00 H new ATOM 0 HG22 THR A 781 -2.306 -40.924 -4.357 1.00 0.00 H new ATOM 0 HG23 THR A 781 -1.610 -39.468 -3.608 1.00 0.00 H new ATOM 497 N CYS A 782 0.131 -38.564 -8.078 1.00 0.00 N ATOM 498 CA CYS A 782 0.384 -38.320 -9.497 1.00 0.00 C ATOM 499 C CYS A 782 1.691 -38.979 -9.981 1.00 0.00 C ATOM 500 O CYS A 782 1.735 -39.501 -11.095 1.00 0.00 O ATOM 501 CB CYS A 782 0.390 -36.805 -9.740 1.00 0.00 C ATOM 502 SG CYS A 782 -1.266 -36.149 -9.392 1.00 0.00 S ATOM 0 H CYS A 782 0.214 -37.723 -7.507 1.00 0.00 H new ATOM 0 HA CYS A 782 -0.412 -38.781 -10.082 1.00 0.00 H new ATOM 0 HB2 CYS A 782 1.129 -36.323 -9.100 1.00 0.00 H new ATOM 0 HB3 CYS A 782 0.672 -36.589 -10.770 1.00 0.00 H new ATOM 0 HG CYS A 782 -2.102 -36.582 -10.289 1.00 0.00 H new ATOM 507 N VAL A 783 2.720 -39.012 -9.136 1.00 0.00 N ATOM 508 CA VAL A 783 3.963 -39.764 -9.383 1.00 0.00 C ATOM 509 C VAL A 783 3.696 -41.280 -9.354 1.00 0.00 C ATOM 510 O VAL A 783 4.181 -41.993 -10.228 1.00 0.00 O ATOM 511 CB VAL A 783 5.081 -39.367 -8.384 1.00 0.00 C ATOM 512 CG1 VAL A 783 6.348 -40.226 -8.556 1.00 0.00 C ATOM 513 CG2 VAL A 783 5.481 -37.894 -8.584 1.00 0.00 C ATOM 0 H VAL A 783 2.720 -38.513 -8.247 1.00 0.00 H new ATOM 0 HA VAL A 783 4.318 -39.502 -10.380 1.00 0.00 H new ATOM 0 HB VAL A 783 4.674 -39.528 -7.386 1.00 0.00 H new ATOM 0 HG11 VAL A 783 7.102 -39.911 -7.835 1.00 0.00 H new ATOM 0 HG12 VAL A 783 6.102 -41.275 -8.389 1.00 0.00 H new ATOM 0 HG13 VAL A 783 6.738 -40.101 -9.566 1.00 0.00 H new ATOM 0 HG21 VAL A 783 6.266 -37.631 -7.876 1.00 0.00 H new ATOM 0 HG22 VAL A 783 5.847 -37.751 -9.601 1.00 0.00 H new ATOM 0 HG23 VAL A 783 4.613 -37.256 -8.417 1.00 0.00 H new ATOM 523 N SER A 784 2.910 -41.780 -8.394 1.00 0.00 N ATOM 524 CA SER A 784 2.591 -43.215 -8.265 1.00 0.00 C ATOM 525 C SER A 784 1.684 -43.743 -9.401 1.00 0.00 C ATOM 526 O SER A 784 1.955 -44.796 -9.990 1.00 0.00 O ATOM 527 CB SER A 784 1.951 -43.475 -6.892 1.00 0.00 C ATOM 528 OG SER A 784 1.757 -44.866 -6.661 1.00 0.00 O ATOM 0 H SER A 784 2.472 -41.200 -7.678 1.00 0.00 H new ATOM 0 HA SER A 784 3.528 -43.765 -8.350 1.00 0.00 H new ATOM 0 HB2 SER A 784 2.586 -43.060 -6.109 1.00 0.00 H new ATOM 0 HB3 SER A 784 0.993 -42.958 -6.832 1.00 0.00 H new ATOM 0 HG SER A 784 1.350 -44.998 -5.779 1.00 0.00 H new ATOM 534 N GLU A 785 0.635 -42.992 -9.764 1.00 0.00 N ATOM 535 CA GLU A 785 -0.290 -43.304 -10.867 1.00 0.00 C ATOM 536 C GLU A 785 0.288 -42.944 -12.253 1.00 0.00 C ATOM 537 O GLU A 785 -0.335 -43.246 -13.275 1.00 0.00 O ATOM 538 CB GLU A 785 -1.627 -42.569 -10.642 1.00 0.00 C ATOM 539 CG GLU A 785 -2.400 -43.024 -9.391 1.00 0.00 C ATOM 540 CD GLU A 785 -2.916 -44.466 -9.520 1.00 0.00 C ATOM 541 OE1 GLU A 785 -3.940 -44.687 -10.215 1.00 0.00 O ATOM 542 OE2 GLU A 785 -2.320 -45.393 -8.924 1.00 0.00 O ATOM 0 H GLU A 785 0.398 -42.124 -9.285 1.00 0.00 H new ATOM 0 HA GLU A 785 -0.448 -44.382 -10.864 1.00 0.00 H new ATOM 0 HB2 GLU A 785 -1.431 -41.500 -10.564 1.00 0.00 H new ATOM 0 HB3 GLU A 785 -2.259 -42.714 -11.518 1.00 0.00 H new ATOM 0 HG2 GLU A 785 -1.752 -42.949 -8.518 1.00 0.00 H new ATOM 0 HG3 GLU A 785 -3.242 -42.352 -9.222 1.00 0.00 H new ATOM 549 N ASN A 786 1.464 -42.303 -12.304 1.00 0.00 N ATOM 550 CA ASN A 786 2.184 -41.912 -13.524 1.00 0.00 C ATOM 551 C ASN A 786 1.336 -41.006 -14.451 1.00 0.00 C ATOM 552 O ASN A 786 1.213 -41.250 -15.656 1.00 0.00 O ATOM 553 CB ASN A 786 2.793 -43.145 -14.226 1.00 0.00 C ATOM 554 CG ASN A 786 4.012 -43.694 -13.490 1.00 0.00 C ATOM 555 OD1 ASN A 786 5.151 -43.424 -13.856 1.00 0.00 O ATOM 556 ND2 ASN A 786 3.827 -44.468 -12.429 1.00 0.00 N ATOM 0 H ASN A 786 1.962 -42.030 -11.457 1.00 0.00 H new ATOM 0 HA ASN A 786 3.026 -41.284 -13.232 1.00 0.00 H new ATOM 0 HB2 ASN A 786 2.037 -43.926 -14.302 1.00 0.00 H new ATOM 0 HB3 ASN A 786 3.077 -42.876 -15.243 1.00 0.00 H new ATOM 0 HD21 ASN A 786 4.631 -44.837 -11.920 1.00 0.00 H new ATOM 0 HD22 ASN A 786 2.881 -44.695 -12.122 1.00 0.00 H new ATOM 563 N HIS A 787 0.742 -39.944 -13.879 1.00 0.00 N ATOM 564 CA HIS A 787 0.128 -38.842 -14.637 1.00 0.00 C ATOM 565 C HIS A 787 1.189 -38.118 -15.488 1.00 0.00 C ATOM 566 O HIS A 787 2.383 -38.143 -15.183 1.00 0.00 O ATOM 567 CB HIS A 787 -0.586 -37.864 -13.684 1.00 0.00 C ATOM 568 CG HIS A 787 -1.820 -38.395 -12.973 1.00 0.00 C ATOM 569 ND1 HIS A 787 -2.674 -37.680 -12.123 1.00 0.00 N ATOM 570 CD2 HIS A 787 -2.325 -39.663 -13.100 1.00 0.00 C ATOM 571 CE1 HIS A 787 -3.656 -38.536 -11.756 1.00 0.00 C ATOM 572 NE2 HIS A 787 -3.465 -39.736 -12.332 1.00 0.00 N ATOM 0 H HIS A 787 0.675 -39.826 -12.868 1.00 0.00 H new ATOM 0 HA HIS A 787 -0.620 -39.256 -15.313 1.00 0.00 H new ATOM 0 HB2 HIS A 787 0.130 -37.538 -12.929 1.00 0.00 H new ATOM 0 HB3 HIS A 787 -0.873 -36.980 -14.253 1.00 0.00 H new ATOM 0 HD2 HIS A 787 -1.905 -40.460 -13.695 1.00 0.00 H new ATOM 0 HE1 HIS A 787 -4.475 -38.291 -11.096 1.00 0.00 H new ATOM 0 HE2 HIS A 787 -4.060 -40.556 -12.220 1.00 0.00 H new ATOM 580 N ASP A 788 0.759 -37.462 -16.566 1.00 0.00 N ATOM 581 CA ASP A 788 1.624 -36.598 -17.380 1.00 0.00 C ATOM 582 C ASP A 788 1.681 -35.183 -16.784 1.00 0.00 C ATOM 583 O ASP A 788 0.640 -34.627 -16.431 1.00 0.00 O ATOM 584 CB ASP A 788 1.112 -36.551 -18.829 1.00 0.00 C ATOM 585 CG ASP A 788 1.290 -37.893 -19.558 1.00 0.00 C ATOM 586 OD1 ASP A 788 2.453 -38.261 -19.856 1.00 0.00 O ATOM 587 OD2 ASP A 788 0.270 -38.558 -19.873 1.00 0.00 O ATOM 0 H ASP A 788 -0.202 -37.513 -16.903 1.00 0.00 H new ATOM 0 HA ASP A 788 2.632 -37.012 -17.380 1.00 0.00 H new ATOM 0 HB2 ASP A 788 0.057 -36.277 -18.830 1.00 0.00 H new ATOM 0 HB3 ASP A 788 1.644 -35.771 -19.374 1.00 0.00 H new ATOM 592 N PHE A 789 2.878 -34.585 -16.711 1.00 0.00 N ATOM 593 CA PHE A 789 3.067 -33.201 -16.262 1.00 0.00 C ATOM 594 C PHE A 789 4.021 -32.399 -17.160 1.00 0.00 C ATOM 595 O PHE A 789 4.950 -32.953 -17.748 1.00 0.00 O ATOM 596 CB PHE A 789 3.509 -33.114 -14.779 1.00 0.00 C ATOM 597 CG PHE A 789 3.807 -34.391 -14.015 1.00 0.00 C ATOM 598 CD1 PHE A 789 2.763 -35.116 -13.407 1.00 0.00 C ATOM 599 CD2 PHE A 789 5.142 -34.804 -13.830 1.00 0.00 C ATOM 600 CE1 PHE A 789 3.054 -36.257 -12.635 1.00 0.00 C ATOM 601 CE2 PHE A 789 5.429 -35.939 -13.053 1.00 0.00 C ATOM 602 CZ PHE A 789 4.386 -36.673 -12.461 1.00 0.00 C ATOM 0 H PHE A 789 3.748 -35.053 -16.964 1.00 0.00 H new ATOM 0 HA PHE A 789 2.083 -32.739 -16.346 1.00 0.00 H new ATOM 0 HB2 PHE A 789 4.404 -32.493 -14.740 1.00 0.00 H new ATOM 0 HB3 PHE A 789 2.728 -32.582 -14.235 1.00 0.00 H new ATOM 0 HD1 PHE A 789 1.739 -34.796 -13.533 1.00 0.00 H new ATOM 0 HD2 PHE A 789 5.946 -34.247 -14.287 1.00 0.00 H new ATOM 0 HE1 PHE A 789 2.252 -36.815 -12.175 1.00 0.00 H new ATOM 0 HE2 PHE A 789 6.454 -36.249 -12.910 1.00 0.00 H new ATOM 0 HZ PHE A 789 4.607 -37.553 -11.875 1.00 0.00 H new ATOM 612 N HIS A 790 3.808 -31.083 -17.233 1.00 0.00 N ATOM 613 CA HIS A 790 4.705 -30.117 -17.874 1.00 0.00 C ATOM 614 C HIS A 790 5.321 -29.177 -16.815 1.00 0.00 C ATOM 615 O HIS A 790 4.596 -28.471 -16.107 1.00 0.00 O ATOM 616 CB HIS A 790 3.916 -29.291 -18.910 1.00 0.00 C ATOM 617 CG HIS A 790 3.613 -29.990 -20.216 1.00 0.00 C ATOM 618 ND1 HIS A 790 3.808 -29.463 -21.475 1.00 0.00 N ATOM 619 CD2 HIS A 790 3.055 -31.226 -20.395 1.00 0.00 C ATOM 620 CE1 HIS A 790 3.371 -30.351 -22.383 1.00 0.00 C ATOM 621 NE2 HIS A 790 2.883 -31.445 -21.768 1.00 0.00 N ATOM 0 H HIS A 790 2.978 -30.645 -16.834 1.00 0.00 H new ATOM 0 HA HIS A 790 5.509 -30.656 -18.375 1.00 0.00 H new ATOM 0 HB2 HIS A 790 2.974 -28.981 -18.458 1.00 0.00 H new ATOM 0 HB3 HIS A 790 4.479 -28.383 -19.128 1.00 0.00 H new ATOM 0 HD2 HIS A 790 2.791 -31.918 -19.609 1.00 0.00 H new ATOM 0 HE1 HIS A 790 3.406 -30.208 -23.453 1.00 0.00 H new ATOM 0 HE2 HIS A 790 2.472 -32.266 -22.212 1.00 0.00 H new ATOM 629 N TRP A 791 6.654 -29.136 -16.723 1.00 0.00 N ATOM 630 CA TRP A 791 7.396 -28.181 -15.892 1.00 0.00 C ATOM 631 C TRP A 791 7.589 -26.825 -16.595 1.00 0.00 C ATOM 632 O TRP A 791 7.775 -26.760 -17.811 1.00 0.00 O ATOM 633 CB TRP A 791 8.748 -28.791 -15.487 1.00 0.00 C ATOM 634 CG TRP A 791 8.683 -29.873 -14.452 1.00 0.00 C ATOM 635 CD1 TRP A 791 8.551 -31.196 -14.695 1.00 0.00 C ATOM 636 CD2 TRP A 791 8.757 -29.742 -12.999 1.00 0.00 C ATOM 637 NE1 TRP A 791 8.553 -31.895 -13.502 1.00 0.00 N ATOM 638 CE2 TRP A 791 8.702 -31.048 -12.423 1.00 0.00 C ATOM 639 CE3 TRP A 791 8.875 -28.655 -12.108 1.00 0.00 C ATOM 640 CZ2 TRP A 791 8.780 -31.262 -11.037 1.00 0.00 C ATOM 641 CZ3 TRP A 791 8.935 -28.857 -10.715 1.00 0.00 C ATOM 642 CH2 TRP A 791 8.886 -30.156 -10.179 1.00 0.00 C ATOM 0 H TRP A 791 7.260 -29.778 -17.234 1.00 0.00 H new ATOM 0 HA TRP A 791 6.807 -27.984 -14.996 1.00 0.00 H new ATOM 0 HB2 TRP A 791 9.227 -29.194 -16.379 1.00 0.00 H new ATOM 0 HB3 TRP A 791 9.390 -27.993 -15.114 1.00 0.00 H new ATOM 0 HD1 TRP A 791 8.458 -31.641 -15.675 1.00 0.00 H new ATOM 0 HE1 TRP A 791 8.457 -32.908 -13.429 1.00 0.00 H new ATOM 0 HE3 TRP A 791 8.920 -27.650 -12.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 791 8.759 -32.265 -10.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 791 9.019 -28.007 -10.054 1.00 0.00 H new ATOM 0 HH2 TRP A 791 8.930 -30.302 -9.110 1.00 0.00 H new ATOM 653 N HIS A 792 7.608 -25.744 -15.818 1.00 0.00 N ATOM 654 CA HIS A 792 7.908 -24.367 -16.243 1.00 0.00 C ATOM 655 C HIS A 792 8.284 -23.498 -15.022 1.00 0.00 C ATOM 656 O HIS A 792 8.425 -24.022 -13.913 1.00 0.00 O ATOM 657 CB HIS A 792 6.722 -23.789 -17.049 1.00 0.00 C ATOM 658 CG HIS A 792 5.476 -23.497 -16.242 1.00 0.00 C ATOM 659 ND1 HIS A 792 5.027 -22.253 -15.854 1.00 0.00 N ATOM 660 CD2 HIS A 792 4.552 -24.407 -15.801 1.00 0.00 C ATOM 661 CE1 HIS A 792 3.855 -22.408 -15.216 1.00 0.00 C ATOM 662 NE2 HIS A 792 3.514 -23.708 -15.162 1.00 0.00 N ATOM 0 H HIS A 792 7.404 -25.802 -14.820 1.00 0.00 H new ATOM 0 HA HIS A 792 8.773 -24.368 -16.906 1.00 0.00 H new ATOM 0 HB2 HIS A 792 7.047 -22.868 -17.532 1.00 0.00 H new ATOM 0 HB3 HIS A 792 6.466 -24.492 -17.842 1.00 0.00 H new ATOM 0 HD1 HIS A 792 5.503 -21.367 -16.022 1.00 0.00 H new ATOM 0 HD2 HIS A 792 4.611 -25.478 -15.923 1.00 0.00 H new ATOM 0 HE1 HIS A 792 3.268 -21.601 -14.804 1.00 0.00 H new ATOM 670 N ASN A 793 8.459 -22.182 -15.194 1.00 0.00 N ATOM 671 CA ASN A 793 8.737 -21.250 -14.093 1.00 0.00 C ATOM 672 C ASN A 793 7.524 -20.341 -13.783 1.00 0.00 C ATOM 673 O ASN A 793 6.769 -19.962 -14.685 1.00 0.00 O ATOM 674 CB ASN A 793 10.010 -20.450 -14.430 1.00 0.00 C ATOM 675 CG ASN A 793 10.867 -20.225 -13.191 1.00 0.00 C ATOM 676 OD1 ASN A 793 11.760 -21.007 -12.885 1.00 0.00 O ATOM 677 ND2 ASN A 793 10.613 -19.179 -12.429 1.00 0.00 N ATOM 0 H ASN A 793 8.411 -21.730 -16.107 1.00 0.00 H new ATOM 0 HA ASN A 793 8.912 -21.814 -13.177 1.00 0.00 H new ATOM 0 HB2 ASN A 793 10.589 -20.984 -15.183 1.00 0.00 H new ATOM 0 HB3 ASN A 793 9.734 -19.489 -14.863 1.00 0.00 H new ATOM 0 HD21 ASN A 793 11.160 -19.019 -11.583 1.00 0.00 H new ATOM 0 HD22 ASN A 793 9.869 -18.530 -12.686 1.00 0.00 H new ATOM 684 N GLY A 794 7.337 -20.009 -12.502 1.00 0.00 N ATOM 685 CA GLY A 794 6.224 -19.203 -11.965 1.00 0.00 C ATOM 686 C GLY A 794 6.620 -18.380 -10.736 1.00 0.00 C ATOM 687 O GLY A 794 7.811 -18.187 -10.485 1.00 0.00 O ATOM 0 H GLY A 794 7.985 -20.306 -11.773 1.00 0.00 H new ATOM 0 HA2 GLY A 794 5.860 -18.532 -12.743 1.00 0.00 H new ATOM 0 HA3 GLY A 794 5.398 -19.864 -11.702 1.00 0.00 H new ATOM 691 N VAL A 795 5.632 -17.883 -9.983 1.00 0.00 N ATOM 692 CA VAL A 795 5.817 -17.036 -8.784 1.00 0.00 C ATOM 693 C VAL A 795 4.877 -17.486 -7.660 1.00 0.00 C ATOM 694 O VAL A 795 3.712 -17.798 -7.904 1.00 0.00 O ATOM 695 CB VAL A 795 5.595 -15.533 -9.096 1.00 0.00 C ATOM 696 CG1 VAL A 795 5.720 -14.657 -7.835 1.00 0.00 C ATOM 697 CG2 VAL A 795 6.615 -15.010 -10.127 1.00 0.00 C ATOM 0 H VAL A 795 4.650 -18.061 -10.192 1.00 0.00 H new ATOM 0 HA VAL A 795 6.850 -17.157 -8.458 1.00 0.00 H new ATOM 0 HB VAL A 795 4.584 -15.463 -9.497 1.00 0.00 H new ATOM 0 HG11 VAL A 795 5.557 -13.612 -8.100 1.00 0.00 H new ATOM 0 HG12 VAL A 795 4.975 -14.966 -7.102 1.00 0.00 H new ATOM 0 HG13 VAL A 795 6.717 -14.772 -7.409 1.00 0.00 H new ATOM 0 HG21 VAL A 795 6.428 -13.954 -10.320 1.00 0.00 H new ATOM 0 HG22 VAL A 795 7.625 -15.134 -9.735 1.00 0.00 H new ATOM 0 HG23 VAL A 795 6.515 -15.572 -11.056 1.00 0.00 H new ATOM 707 N LYS A 796 5.394 -17.513 -6.423 1.00 0.00 N ATOM 708 CA LYS A 796 4.693 -17.995 -5.216 1.00 0.00 C ATOM 709 C LYS A 796 4.435 -16.905 -4.154 1.00 0.00 C ATOM 710 O LYS A 796 5.226 -15.969 -3.999 1.00 0.00 O ATOM 711 CB LYS A 796 5.493 -19.180 -4.650 1.00 0.00 C ATOM 712 CG LYS A 796 6.812 -18.774 -3.971 1.00 0.00 C ATOM 713 CD LYS A 796 7.910 -19.837 -4.104 1.00 0.00 C ATOM 714 CE LYS A 796 7.523 -21.161 -3.416 1.00 0.00 C ATOM 715 NZ LYS A 796 8.586 -22.189 -3.572 1.00 0.00 N ATOM 0 H LYS A 796 6.341 -17.191 -6.225 1.00 0.00 H new ATOM 0 HA LYS A 796 3.691 -18.312 -5.505 1.00 0.00 H new ATOM 0 HB2 LYS A 796 4.873 -19.713 -3.929 1.00 0.00 H new ATOM 0 HB3 LYS A 796 5.712 -19.877 -5.459 1.00 0.00 H new ATOM 0 HG2 LYS A 796 7.165 -17.839 -4.407 1.00 0.00 H new ATOM 0 HG3 LYS A 796 6.626 -18.583 -2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 796 8.108 -20.022 -5.160 1.00 0.00 H new ATOM 0 HD3 LYS A 796 8.834 -19.459 -3.667 1.00 0.00 H new ATOM 0 HE2 LYS A 796 7.342 -20.982 -2.356 1.00 0.00 H new ATOM 0 HE3 LYS A 796 6.591 -21.533 -3.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 796 8.198 -23.127 -3.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 796 8.932 -22.185 -4.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 796 9.373 -21.975 -2.926 1.00 0.00 H new ATOM 729 N ARG A 797 3.328 -17.047 -3.417 1.00 0.00 N ATOM 730 CA ARG A 797 2.855 -16.153 -2.343 1.00 0.00 C ATOM 731 C ARG A 797 2.587 -16.940 -1.047 1.00 0.00 C ATOM 732 O ARG A 797 2.279 -18.136 -1.085 1.00 0.00 O ATOM 733 CB ARG A 797 1.589 -15.349 -2.750 1.00 0.00 C ATOM 734 CG ARG A 797 0.989 -15.584 -4.150 1.00 0.00 C ATOM 735 CD ARG A 797 1.747 -14.853 -5.264 1.00 0.00 C ATOM 736 NE ARG A 797 1.404 -15.395 -6.590 1.00 0.00 N ATOM 737 CZ ARG A 797 1.649 -14.831 -7.767 1.00 0.00 C ATOM 738 NH1 ARG A 797 2.218 -13.653 -7.886 1.00 0.00 N ATOM 739 NH2 ARG A 797 1.305 -15.475 -8.863 1.00 0.00 N ATOM 0 H ARG A 797 2.697 -17.836 -3.559 1.00 0.00 H new ATOM 0 HA ARG A 797 3.655 -15.435 -2.165 1.00 0.00 H new ATOM 0 HB2 ARG A 797 0.811 -15.561 -2.016 1.00 0.00 H new ATOM 0 HB3 ARG A 797 1.828 -14.289 -2.665 1.00 0.00 H new ATOM 0 HG2 ARG A 797 0.987 -16.653 -4.362 1.00 0.00 H new ATOM 0 HG3 ARG A 797 -0.051 -15.257 -4.152 1.00 0.00 H new ATOM 0 HD2 ARG A 797 1.510 -13.790 -5.231 1.00 0.00 H new ATOM 0 HD3 ARG A 797 2.820 -14.945 -5.098 1.00 0.00 H new ATOM 0 HE ARG A 797 0.929 -16.297 -6.606 1.00 0.00 H new ATOM 0 HH11 ARG A 797 2.491 -13.132 -7.053 1.00 0.00 H new ATOM 0 HH12 ARG A 797 2.387 -13.259 -8.812 1.00 0.00 H new ATOM 0 HH21 ARG A 797 0.859 -16.390 -8.798 1.00 0.00 H new ATOM 0 HH22 ARG A 797 1.485 -15.059 -9.777 1.00 0.00 H new ATOM 753 N PHE A 798 2.681 -16.260 0.096 1.00 0.00 N ATOM 754 CA PHE A 798 2.745 -16.862 1.436 1.00 0.00 C ATOM 755 C PHE A 798 1.530 -16.461 2.283 1.00 0.00 C ATOM 756 O PHE A 798 1.165 -15.283 2.307 1.00 0.00 O ATOM 757 CB PHE A 798 4.058 -16.406 2.088 1.00 0.00 C ATOM 758 CG PHE A 798 5.271 -16.533 1.180 1.00 0.00 C ATOM 759 CD1 PHE A 798 5.814 -17.804 0.914 1.00 0.00 C ATOM 760 CD2 PHE A 798 5.825 -15.391 0.568 1.00 0.00 C ATOM 761 CE1 PHE A 798 6.903 -17.936 0.037 1.00 0.00 C ATOM 762 CE2 PHE A 798 6.913 -15.522 -0.312 1.00 0.00 C ATOM 763 CZ PHE A 798 7.445 -16.795 -0.579 1.00 0.00 C ATOM 0 H PHE A 798 2.716 -15.241 0.120 1.00 0.00 H new ATOM 0 HA PHE A 798 2.723 -17.949 1.363 1.00 0.00 H new ATOM 0 HB2 PHE A 798 3.956 -15.366 2.399 1.00 0.00 H new ATOM 0 HB3 PHE A 798 4.228 -16.994 2.990 1.00 0.00 H new ATOM 0 HD1 PHE A 798 5.392 -18.680 1.385 1.00 0.00 H new ATOM 0 HD2 PHE A 798 5.413 -14.414 0.775 1.00 0.00 H new ATOM 0 HE1 PHE A 798 7.322 -18.911 -0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 798 7.339 -14.647 -0.781 1.00 0.00 H new ATOM 0 HZ PHE A 798 8.276 -16.897 -1.262 1.00 0.00 H new ATOM 773 N PHE A 799 0.918 -17.414 3.001 1.00 0.00 N ATOM 774 CA PHE A 799 -0.336 -17.198 3.734 1.00 0.00 C ATOM 775 C PHE A 799 -0.314 -17.759 5.161 1.00 0.00 C ATOM 776 O PHE A 799 0.295 -18.798 5.434 1.00 0.00 O ATOM 777 CB PHE A 799 -1.523 -17.785 2.942 1.00 0.00 C ATOM 778 CG PHE A 799 -1.635 -17.286 1.513 1.00 0.00 C ATOM 779 CD1 PHE A 799 -0.917 -17.916 0.478 1.00 0.00 C ATOM 780 CD2 PHE A 799 -2.440 -16.168 1.228 1.00 0.00 C ATOM 781 CE1 PHE A 799 -0.971 -17.410 -0.828 1.00 0.00 C ATOM 782 CE2 PHE A 799 -2.509 -15.676 -0.087 1.00 0.00 C ATOM 783 CZ PHE A 799 -1.769 -16.288 -1.115 1.00 0.00 C ATOM 0 H PHE A 799 1.283 -18.363 3.089 1.00 0.00 H new ATOM 0 HA PHE A 799 -0.456 -16.119 3.833 1.00 0.00 H new ATOM 0 HB2 PHE A 799 -1.432 -18.871 2.928 1.00 0.00 H new ATOM 0 HB3 PHE A 799 -2.447 -17.549 3.469 1.00 0.00 H new ATOM 0 HD1 PHE A 799 -0.323 -18.792 0.691 1.00 0.00 H new ATOM 0 HD2 PHE A 799 -3.003 -15.690 2.016 1.00 0.00 H new ATOM 0 HE1 PHE A 799 -0.400 -17.882 -1.614 1.00 0.00 H new ATOM 0 HE2 PHE A 799 -3.134 -14.823 -0.309 1.00 0.00 H new ATOM 0 HZ PHE A 799 -1.814 -15.898 -2.121 1.00 0.00 H new ATOM 793 N LYS A 800 -1.014 -17.074 6.072 1.00 0.00 N ATOM 794 CA LYS A 800 -1.178 -17.448 7.483 1.00 0.00 C ATOM 795 C LYS A 800 -2.656 -17.474 7.903 1.00 0.00 C ATOM 796 O LYS A 800 -3.458 -16.648 7.466 1.00 0.00 O ATOM 797 CB LYS A 800 -0.352 -16.465 8.328 1.00 0.00 C ATOM 798 CG LYS A 800 -0.307 -16.837 9.814 1.00 0.00 C ATOM 799 CD LYS A 800 0.622 -15.908 10.602 1.00 0.00 C ATOM 800 CE LYS A 800 0.647 -16.319 12.077 1.00 0.00 C ATOM 801 NZ LYS A 800 1.528 -15.433 12.878 1.00 0.00 N ATOM 0 H LYS A 800 -1.502 -16.209 5.838 1.00 0.00 H new ATOM 0 HA LYS A 800 -0.816 -18.464 7.642 1.00 0.00 H new ATOM 0 HB2 LYS A 800 0.665 -16.427 7.939 1.00 0.00 H new ATOM 0 HB3 LYS A 800 -0.771 -15.464 8.223 1.00 0.00 H new ATOM 0 HG2 LYS A 800 -1.312 -16.787 10.232 1.00 0.00 H new ATOM 0 HG3 LYS A 800 0.032 -17.867 9.921 1.00 0.00 H new ATOM 0 HD2 LYS A 800 1.629 -15.950 10.187 1.00 0.00 H new ATOM 0 HD3 LYS A 800 0.282 -14.876 10.509 1.00 0.00 H new ATOM 0 HE2 LYS A 800 -0.365 -16.288 12.481 1.00 0.00 H new ATOM 0 HE3 LYS A 800 0.992 -17.349 12.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 1.520 -15.741 13.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 2.499 -15.482 12.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 1.183 -14.454 12.817 1.00 0.00 H new ATOM 815 N CYS A 801 -3.022 -18.422 8.765 1.00 0.00 N ATOM 816 CA CYS A 801 -4.339 -18.565 9.404 1.00 0.00 C ATOM 817 C CYS A 801 -4.303 -18.012 10.856 1.00 0.00 C ATOM 818 O CYS A 801 -3.254 -18.136 11.501 1.00 0.00 O ATOM 819 CB CYS A 801 -4.656 -20.068 9.384 1.00 0.00 C ATOM 820 SG CYS A 801 -6.316 -20.438 10.033 1.00 0.00 S ATOM 0 H CYS A 801 -2.374 -19.154 9.056 1.00 0.00 H new ATOM 0 HA CYS A 801 -5.108 -17.998 8.879 1.00 0.00 H new ATOM 0 HB2 CYS A 801 -4.578 -20.439 8.362 1.00 0.00 H new ATOM 0 HB3 CYS A 801 -3.911 -20.601 9.975 1.00 0.00 H new ATOM 0 HG CYS A 801 -7.210 -19.829 9.311 1.00 0.00 H new ATOM 825 N PRO A 802 -5.400 -17.439 11.407 1.00 0.00 N ATOM 826 CA PRO A 802 -5.430 -16.878 12.764 1.00 0.00 C ATOM 827 C PRO A 802 -5.081 -17.843 13.914 1.00 0.00 C ATOM 828 O PRO A 802 -4.706 -17.363 14.982 1.00 0.00 O ATOM 829 CB PRO A 802 -6.838 -16.285 12.935 1.00 0.00 C ATOM 830 CG PRO A 802 -7.671 -16.901 11.815 1.00 0.00 C ATOM 831 CD PRO A 802 -6.638 -17.098 10.717 1.00 0.00 C ATOM 0 HA PRO A 802 -4.634 -16.138 12.843 1.00 0.00 H new ATOM 0 HB2 PRO A 802 -7.252 -16.529 13.913 1.00 0.00 H new ATOM 0 HB3 PRO A 802 -6.819 -15.198 12.859 1.00 0.00 H new ATOM 0 HG2 PRO A 802 -8.127 -17.843 12.118 1.00 0.00 H new ATOM 0 HG3 PRO A 802 -8.480 -16.242 11.500 1.00 0.00 H new ATOM 0 HD2 PRO A 802 -6.938 -17.892 10.033 1.00 0.00 H new ATOM 0 HD3 PRO A 802 -6.520 -16.192 10.122 1.00 0.00 H new ATOM 839 N CYS A 803 -5.151 -19.170 13.733 1.00 0.00 N ATOM 840 CA CYS A 803 -4.688 -20.160 14.725 1.00 0.00 C ATOM 841 C CYS A 803 -3.145 -20.306 14.794 1.00 0.00 C ATOM 842 O CYS A 803 -2.616 -20.884 15.752 1.00 0.00 O ATOM 843 CB CYS A 803 -5.375 -21.511 14.463 1.00 0.00 C ATOM 844 SG CYS A 803 -4.748 -22.286 12.938 1.00 0.00 S ATOM 0 H CYS A 803 -5.534 -19.593 12.887 1.00 0.00 H new ATOM 0 HA CYS A 803 -4.977 -19.788 15.708 1.00 0.00 H new ATOM 0 HB2 CYS A 803 -5.206 -22.178 15.309 1.00 0.00 H new ATOM 0 HB3 CYS A 803 -6.452 -21.364 14.383 1.00 0.00 H new ATOM 0 HG CYS A 803 -5.260 -21.686 11.904 1.00 0.00 H new ATOM 849 N GLY A 804 -2.421 -19.769 13.800 1.00 0.00 N ATOM 850 CA GLY A 804 -0.957 -19.816 13.648 1.00 0.00 C ATOM 851 C GLY A 804 -0.470 -20.718 12.509 1.00 0.00 C ATOM 852 O GLY A 804 0.725 -20.712 12.206 1.00 0.00 O ATOM 0 H GLY A 804 -2.867 -19.261 13.036 1.00 0.00 H new ATOM 0 HA2 GLY A 804 -0.588 -18.804 13.478 1.00 0.00 H new ATOM 0 HA3 GLY A 804 -0.517 -20.162 14.583 1.00 0.00 H new ATOM 856 N ASN A 805 -1.354 -21.485 11.864 1.00 0.00 N ATOM 857 CA ASN A 805 -1.002 -22.351 10.730 1.00 0.00 C ATOM 858 C ASN A 805 -0.543 -21.545 9.491 1.00 0.00 C ATOM 859 O ASN A 805 -0.939 -20.390 9.308 1.00 0.00 O ATOM 860 CB ASN A 805 -2.194 -23.283 10.433 1.00 0.00 C ATOM 861 CG ASN A 805 -1.860 -24.412 9.452 1.00 0.00 C ATOM 862 OD1 ASN A 805 -0.714 -24.830 9.300 1.00 0.00 O ATOM 863 ND2 ASN A 805 -2.851 -24.930 8.745 1.00 0.00 N ATOM 0 H ASN A 805 -2.342 -21.524 12.114 1.00 0.00 H new ATOM 0 HA ASN A 805 -0.139 -22.961 10.997 1.00 0.00 H new ATOM 0 HB2 ASN A 805 -2.546 -23.718 11.368 1.00 0.00 H new ATOM 0 HB3 ASN A 805 -3.015 -22.691 10.027 1.00 0.00 H new ATOM 0 HD21 ASN A 805 -2.664 -25.676 8.075 1.00 0.00 H new ATOM 0 HD22 ASN A 805 -3.802 -24.584 8.870 1.00 0.00 H new ATOM 870 N ARG A 806 0.290 -22.158 8.640 1.00 0.00 N ATOM 871 CA ARG A 806 0.980 -21.534 7.498 1.00 0.00 C ATOM 872 C ARG A 806 0.860 -22.386 6.220 1.00 0.00 C ATOM 873 O ARG A 806 0.851 -23.619 6.293 1.00 0.00 O ATOM 874 CB ARG A 806 2.472 -21.350 7.869 1.00 0.00 C ATOM 875 CG ARG A 806 2.715 -20.187 8.852 1.00 0.00 C ATOM 876 CD ARG A 806 2.680 -18.800 8.195 1.00 0.00 C ATOM 877 NE ARG A 806 3.915 -18.537 7.435 1.00 0.00 N ATOM 878 CZ ARG A 806 4.116 -18.667 6.130 1.00 0.00 C ATOM 879 NH1 ARG A 806 3.139 -18.892 5.279 1.00 0.00 N ATOM 880 NH2 ARG A 806 5.338 -18.592 5.658 1.00 0.00 N ATOM 0 H ARG A 806 0.513 -23.149 8.731 1.00 0.00 H new ATOM 0 HA ARG A 806 0.512 -20.572 7.290 1.00 0.00 H new ATOM 0 HB2 ARG A 806 2.847 -22.274 8.310 1.00 0.00 H new ATOM 0 HB3 ARG A 806 3.047 -21.175 6.960 1.00 0.00 H new ATOM 0 HG2 ARG A 806 1.961 -20.225 9.638 1.00 0.00 H new ATOM 0 HG3 ARG A 806 3.683 -20.326 9.332 1.00 0.00 H new ATOM 0 HD2 ARG A 806 1.819 -18.732 7.530 1.00 0.00 H new ATOM 0 HD3 ARG A 806 2.552 -18.035 8.961 1.00 0.00 H new ATOM 0 HE ARG A 806 4.715 -18.215 7.980 1.00 0.00 H new ATOM 0 HH11 ARG A 806 2.179 -18.973 5.614 1.00 0.00 H new ATOM 0 HH12 ARG A 806 3.341 -18.985 4.284 1.00 0.00 H new ATOM 0 HH21 ARG A 806 6.121 -18.435 6.293 1.00 0.00 H new ATOM 0 HH22 ARG A 806 5.505 -18.690 4.657 1.00 0.00 H new ATOM 894 N THR A 807 0.822 -21.731 5.053 1.00 0.00 N ATOM 895 CA THR A 807 0.792 -22.357 3.719 1.00 0.00 C ATOM 896 C THR A 807 1.374 -21.432 2.652 1.00 0.00 C ATOM 897 O THR A 807 1.652 -20.257 2.904 1.00 0.00 O ATOM 898 CB THR A 807 -0.627 -22.858 3.391 1.00 0.00 C ATOM 899 OG1 THR A 807 -0.568 -23.863 2.403 1.00 0.00 O ATOM 900 CG2 THR A 807 -1.589 -21.765 2.931 1.00 0.00 C ATOM 0 H THR A 807 0.811 -20.712 5.007 1.00 0.00 H new ATOM 0 HA THR A 807 1.439 -23.234 3.727 1.00 0.00 H new ATOM 0 HB THR A 807 -1.023 -23.249 4.328 1.00 0.00 H new ATOM 0 HG1 THR A 807 -1.360 -23.804 1.828 1.00 0.00 H new ATOM 0 HG21 THR A 807 -2.565 -22.204 2.721 1.00 0.00 H new ATOM 0 HG22 THR A 807 -1.690 -21.015 3.716 1.00 0.00 H new ATOM 0 HG23 THR A 807 -1.201 -21.295 2.027 1.00 0.00 H new ATOM 908 N ILE A 808 1.595 -21.976 1.459 1.00 0.00 N ATOM 909 CA ILE A 808 2.121 -21.281 0.271 1.00 0.00 C ATOM 910 C ILE A 808 1.229 -21.635 -0.934 1.00 0.00 C ATOM 911 O ILE A 808 0.749 -22.768 -1.036 1.00 0.00 O ATOM 912 CB ILE A 808 3.606 -21.667 0.016 1.00 0.00 C ATOM 913 CG1 ILE A 808 4.457 -21.638 1.311 1.00 0.00 C ATOM 914 CG2 ILE A 808 4.238 -20.752 -1.056 1.00 0.00 C ATOM 915 CD1 ILE A 808 5.947 -21.963 1.124 1.00 0.00 C ATOM 0 H ILE A 808 1.405 -22.962 1.277 1.00 0.00 H new ATOM 0 HA ILE A 808 2.100 -20.203 0.430 1.00 0.00 H new ATOM 0 HB ILE A 808 3.602 -22.694 -0.349 1.00 0.00 H new ATOM 0 HG12 ILE A 808 4.371 -20.649 1.761 1.00 0.00 H new ATOM 0 HG13 ILE A 808 4.033 -22.348 2.021 1.00 0.00 H new ATOM 0 HG21 ILE A 808 5.276 -21.042 -1.216 1.00 0.00 H new ATOM 0 HG22 ILE A 808 3.685 -20.851 -1.990 1.00 0.00 H new ATOM 0 HG23 ILE A 808 4.199 -19.716 -0.719 1.00 0.00 H new ATOM 0 HD11 ILE A 808 6.453 -21.916 2.088 1.00 0.00 H new ATOM 0 HD12 ILE A 808 6.051 -22.965 0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 808 6.395 -21.239 0.443 1.00 0.00 H new ATOM 927 N SER A 809 1.009 -20.702 -1.860 1.00 0.00 N ATOM 928 CA SER A 809 0.301 -20.963 -3.126 1.00 0.00 C ATOM 929 C SER A 809 0.935 -20.214 -4.312 1.00 0.00 C ATOM 930 O SER A 809 1.663 -19.236 -4.125 1.00 0.00 O ATOM 931 CB SER A 809 -1.186 -20.594 -2.988 1.00 0.00 C ATOM 932 OG SER A 809 -1.934 -21.053 -4.108 1.00 0.00 O ATOM 0 H SER A 809 1.317 -19.735 -1.758 1.00 0.00 H new ATOM 0 HA SER A 809 0.389 -22.029 -3.336 1.00 0.00 H new ATOM 0 HB2 SER A 809 -1.589 -21.031 -2.074 1.00 0.00 H new ATOM 0 HB3 SER A 809 -1.289 -19.513 -2.897 1.00 0.00 H new ATOM 0 HG SER A 809 -2.876 -20.807 -3.995 1.00 0.00 H new ATOM 938 N LEU A 810 0.654 -20.660 -5.539 1.00 0.00 N ATOM 939 CA LEU A 810 0.965 -19.929 -6.772 1.00 0.00 C ATOM 940 C LEU A 810 -0.124 -18.897 -7.111 1.00 0.00 C ATOM 941 O LEU A 810 0.167 -17.890 -7.757 1.00 0.00 O ATOM 942 CB LEU A 810 1.155 -20.946 -7.912 1.00 0.00 C ATOM 943 CG LEU A 810 2.344 -21.919 -7.729 1.00 0.00 C ATOM 944 CD1 LEU A 810 2.406 -22.891 -8.914 1.00 0.00 C ATOM 945 CD2 LEU A 810 3.682 -21.177 -7.597 1.00 0.00 C ATOM 0 H LEU A 810 0.196 -21.556 -5.707 1.00 0.00 H new ATOM 0 HA LEU A 810 1.887 -19.364 -6.633 1.00 0.00 H new ATOM 0 HB2 LEU A 810 0.240 -21.529 -8.014 1.00 0.00 H new ATOM 0 HB3 LEU A 810 1.292 -20.401 -8.846 1.00 0.00 H new ATOM 0 HG LEU A 810 2.179 -22.469 -6.803 1.00 0.00 H new ATOM 0 HD11 LEU A 810 3.245 -23.574 -8.781 1.00 0.00 H new ATOM 0 HD12 LEU A 810 1.478 -23.461 -8.966 1.00 0.00 H new ATOM 0 HD13 LEU A 810 2.539 -22.329 -9.839 1.00 0.00 H new ATOM 0 HD21 LEU A 810 4.488 -21.900 -7.470 1.00 0.00 H new ATOM 0 HD22 LEU A 810 3.861 -20.587 -8.496 1.00 0.00 H new ATOM 0 HD23 LEU A 810 3.648 -20.516 -6.731 1.00 0.00 H new ATOM 957 N ASP A 811 -1.354 -19.116 -6.651 1.00 0.00 N ATOM 958 CA ASP A 811 -2.492 -18.201 -6.817 1.00 0.00 C ATOM 959 C ASP A 811 -2.537 -17.116 -5.725 1.00 0.00 C ATOM 960 O ASP A 811 -1.900 -17.234 -4.675 1.00 0.00 O ATOM 961 CB ASP A 811 -3.796 -19.013 -6.834 1.00 0.00 C ATOM 962 CG ASP A 811 -3.908 -19.915 -8.072 1.00 0.00 C ATOM 963 OD1 ASP A 811 -4.116 -19.377 -9.186 1.00 0.00 O ATOM 964 OD2 ASP A 811 -3.807 -21.158 -7.930 1.00 0.00 O ATOM 0 H ASP A 811 -1.599 -19.961 -6.135 1.00 0.00 H new ATOM 0 HA ASP A 811 -2.371 -17.678 -7.766 1.00 0.00 H new ATOM 0 HB2 ASP A 811 -3.851 -19.627 -5.935 1.00 0.00 H new ATOM 0 HB3 ASP A 811 -4.646 -18.331 -6.807 1.00 0.00 H new ATOM 969 N ARG A 812 -3.351 -16.076 -5.955 1.00 0.00 N ATOM 970 CA ARG A 812 -3.579 -14.944 -5.035 1.00 0.00 C ATOM 971 C ARG A 812 -4.176 -15.324 -3.664 1.00 0.00 C ATOM 972 O ARG A 812 -4.172 -14.499 -2.747 1.00 0.00 O ATOM 973 CB ARG A 812 -4.454 -13.888 -5.740 1.00 0.00 C ATOM 974 CG ARG A 812 -5.865 -14.388 -6.093 1.00 0.00 C ATOM 975 CD ARG A 812 -6.671 -13.294 -6.802 1.00 0.00 C ATOM 976 NE ARG A 812 -8.017 -13.784 -7.164 1.00 0.00 N ATOM 977 CZ ARG A 812 -8.950 -13.116 -7.834 1.00 0.00 C ATOM 978 NH1 ARG A 812 -8.755 -11.887 -8.262 1.00 0.00 N ATOM 979 NH2 ARG A 812 -10.109 -13.681 -8.084 1.00 0.00 N ATOM 0 H ARG A 812 -3.890 -15.994 -6.817 1.00 0.00 H new ATOM 0 HA ARG A 812 -2.594 -14.540 -4.799 1.00 0.00 H new ATOM 0 HB2 ARG A 812 -4.539 -13.012 -5.097 1.00 0.00 H new ATOM 0 HB3 ARG A 812 -3.954 -13.566 -6.653 1.00 0.00 H new ATOM 0 HG2 ARG A 812 -5.794 -15.267 -6.734 1.00 0.00 H new ATOM 0 HG3 ARG A 812 -6.383 -14.697 -5.185 1.00 0.00 H new ATOM 0 HD2 ARG A 812 -6.759 -12.423 -6.153 1.00 0.00 H new ATOM 0 HD3 ARG A 812 -6.143 -12.971 -7.699 1.00 0.00 H new ATOM 0 HE ARG A 812 -8.254 -14.731 -6.870 1.00 0.00 H new ATOM 0 HH11 ARG A 812 -7.867 -11.419 -8.082 1.00 0.00 H new ATOM 0 HH12 ARG A 812 -9.492 -11.402 -8.774 1.00 0.00 H new ATOM 0 HH21 ARG A 812 -10.292 -14.632 -7.764 1.00 0.00 H new ATOM 0 HH22 ARG A 812 -10.826 -13.169 -8.598 1.00 0.00 H new ATOM 993 N LEU A 813 -4.673 -16.558 -3.516 1.00 0.00 N ATOM 994 CA LEU A 813 -5.226 -17.164 -2.296 1.00 0.00 C ATOM 995 C LEU A 813 -5.307 -18.695 -2.500 1.00 0.00 C ATOM 996 O LEU A 813 -5.639 -19.117 -3.617 1.00 0.00 O ATOM 997 CB LEU A 813 -6.627 -16.555 -2.027 1.00 0.00 C ATOM 998 CG LEU A 813 -7.188 -16.748 -0.604 1.00 0.00 C ATOM 999 CD1 LEU A 813 -6.419 -15.910 0.428 1.00 0.00 C ATOM 1000 CD2 LEU A 813 -8.666 -16.323 -0.568 1.00 0.00 C ATOM 0 H LEU A 813 -4.702 -17.207 -4.302 1.00 0.00 H new ATOM 0 HA LEU A 813 -4.592 -16.961 -1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -6.583 -15.486 -2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 813 -7.332 -16.990 -2.736 1.00 0.00 H new ATOM 0 HG LEU A 813 -7.081 -17.803 -0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 813 -6.844 -16.073 1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -5.370 -16.207 0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 813 -6.496 -14.854 0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 813 -9.060 -16.461 0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 813 -8.750 -15.273 -0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 813 -9.237 -16.933 -1.267 1.00 0.00 H new ATOM 1012 N PRO A 814 -5.039 -19.531 -1.477 1.00 0.00 N ATOM 1013 CA PRO A 814 -5.291 -20.970 -1.532 1.00 0.00 C ATOM 1014 C PRO A 814 -6.806 -21.265 -1.517 1.00 0.00 C ATOM 1015 O PRO A 814 -7.626 -20.355 -1.393 1.00 0.00 O ATOM 1016 CB PRO A 814 -4.559 -21.554 -0.315 1.00 0.00 C ATOM 1017 CG PRO A 814 -4.643 -20.418 0.697 1.00 0.00 C ATOM 1018 CD PRO A 814 -4.472 -19.179 -0.178 1.00 0.00 C ATOM 0 HA PRO A 814 -4.926 -21.423 -2.454 1.00 0.00 H new ATOM 0 HB2 PRO A 814 -5.041 -22.460 0.052 1.00 0.00 H new ATOM 0 HB3 PRO A 814 -3.527 -21.814 -0.549 1.00 0.00 H new ATOM 0 HG2 PRO A 814 -5.597 -20.414 1.223 1.00 0.00 H new ATOM 0 HG3 PRO A 814 -3.862 -20.491 1.454 1.00 0.00 H new ATOM 0 HD2 PRO A 814 -4.986 -18.321 0.254 1.00 0.00 H new ATOM 0 HD3 PRO A 814 -3.421 -18.907 -0.270 1.00 0.00 H new ATOM 1026 N LYS A 815 -7.183 -22.545 -1.629 1.00 0.00 N ATOM 1027 CA LYS A 815 -8.592 -22.989 -1.652 1.00 0.00 C ATOM 1028 C LYS A 815 -8.872 -24.315 -0.910 1.00 0.00 C ATOM 1029 O LYS A 815 -9.989 -24.834 -0.957 1.00 0.00 O ATOM 1030 CB LYS A 815 -9.086 -22.992 -3.117 1.00 0.00 C ATOM 1031 CG LYS A 815 -8.324 -23.876 -4.125 1.00 0.00 C ATOM 1032 CD LYS A 815 -8.499 -25.400 -3.999 1.00 0.00 C ATOM 1033 CE LYS A 815 -9.971 -25.827 -4.131 1.00 0.00 C ATOM 1034 NZ LYS A 815 -10.128 -27.305 -4.089 1.00 0.00 N ATOM 0 H LYS A 815 -6.516 -23.313 -1.707 1.00 0.00 H new ATOM 0 HA LYS A 815 -9.173 -22.271 -1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 815 -10.130 -23.304 -3.119 1.00 0.00 H new ATOM 0 HB3 LYS A 815 -9.059 -21.966 -3.483 1.00 0.00 H new ATOM 0 HG2 LYS A 815 -8.630 -23.583 -5.129 1.00 0.00 H new ATOM 0 HG3 LYS A 815 -7.261 -23.650 -4.037 1.00 0.00 H new ATOM 0 HD2 LYS A 815 -7.908 -25.897 -4.768 1.00 0.00 H new ATOM 0 HD3 LYS A 815 -8.111 -25.730 -3.035 1.00 0.00 H new ATOM 0 HE2 LYS A 815 -10.552 -25.378 -3.326 1.00 0.00 H new ATOM 0 HE3 LYS A 815 -10.376 -25.446 -5.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 815 -11.135 -27.550 -4.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 815 -9.594 -27.733 -4.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 815 -9.765 -27.667 -3.184 1.00 0.00 H new ATOM 1048 N LYS A 816 -7.860 -24.884 -0.245 1.00 0.00 N ATOM 1049 CA LYS A 816 -7.870 -26.250 0.313 1.00 0.00 C ATOM 1050 C LYS A 816 -8.136 -26.344 1.833 1.00 0.00 C ATOM 1051 O LYS A 816 -8.018 -27.429 2.405 1.00 0.00 O ATOM 1052 CB LYS A 816 -6.599 -26.991 -0.169 1.00 0.00 C ATOM 1053 CG LYS A 816 -5.232 -26.325 0.079 1.00 0.00 C ATOM 1054 CD LYS A 816 -4.845 -26.191 1.556 1.00 0.00 C ATOM 1055 CE LYS A 816 -3.396 -25.702 1.653 1.00 0.00 C ATOM 1056 NZ LYS A 816 -2.925 -25.642 3.057 1.00 0.00 N ATOM 0 H LYS A 816 -6.982 -24.395 -0.073 1.00 0.00 H new ATOM 0 HA LYS A 816 -8.746 -26.766 -0.079 1.00 0.00 H new ATOM 0 HB2 LYS A 816 -6.584 -27.971 0.308 1.00 0.00 H new ATOM 0 HB3 LYS A 816 -6.698 -27.160 -1.241 1.00 0.00 H new ATOM 0 HG2 LYS A 816 -4.463 -26.903 -0.433 1.00 0.00 H new ATOM 0 HG3 LYS A 816 -5.239 -25.333 -0.372 1.00 0.00 H new ATOM 0 HD2 LYS A 816 -5.513 -25.490 2.057 1.00 0.00 H new ATOM 0 HD3 LYS A 816 -4.952 -27.151 2.061 1.00 0.00 H new ATOM 0 HE2 LYS A 816 -2.749 -26.368 1.081 1.00 0.00 H new ATOM 0 HE3 LYS A 816 -3.316 -24.714 1.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 816 -2.017 -25.136 3.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 816 -3.627 -25.140 3.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 816 -2.800 -26.607 3.423 1.00 0.00 H new ATOM 1070 N HIS A 817 -8.503 -25.230 2.483 1.00 0.00 N ATOM 1071 CA HIS A 817 -8.848 -25.094 3.916 1.00 0.00 C ATOM 1072 C HIS A 817 -7.605 -25.161 4.839 1.00 0.00 C ATOM 1073 O HIS A 817 -6.492 -25.468 4.403 1.00 0.00 O ATOM 1074 CB HIS A 817 -9.936 -26.110 4.346 1.00 0.00 C ATOM 1075 CG HIS A 817 -11.135 -26.172 3.432 1.00 0.00 C ATOM 1076 ND1 HIS A 817 -11.406 -27.155 2.507 1.00 0.00 N ATOM 1077 CD2 HIS A 817 -12.168 -25.275 3.377 1.00 0.00 C ATOM 1078 CE1 HIS A 817 -12.566 -26.850 1.899 1.00 0.00 C ATOM 1079 NE2 HIS A 817 -13.074 -25.708 2.402 1.00 0.00 N ATOM 0 H HIS A 817 -8.573 -24.338 1.994 1.00 0.00 H new ATOM 0 HA HIS A 817 -9.268 -24.096 4.036 1.00 0.00 H new ATOM 0 HB2 HIS A 817 -9.487 -27.102 4.402 1.00 0.00 H new ATOM 0 HB3 HIS A 817 -10.274 -25.856 5.351 1.00 0.00 H new ATOM 0 HD2 HIS A 817 -12.267 -24.386 3.982 1.00 0.00 H new ATOM 0 HE1 HIS A 817 -13.025 -27.437 1.118 1.00 0.00 H new ATOM 0 HE2 HIS A 817 -13.944 -25.251 2.128 1.00 0.00 H new ATOM 1087 N CYS A 818 -7.789 -24.873 6.130 1.00 0.00 N ATOM 1088 CA CYS A 818 -6.769 -25.037 7.162 1.00 0.00 C ATOM 1089 C CYS A 818 -6.556 -26.515 7.528 1.00 0.00 C ATOM 1090 O CYS A 818 -7.504 -27.263 7.789 1.00 0.00 O ATOM 1091 CB CYS A 818 -7.167 -24.189 8.364 1.00 0.00 C ATOM 1092 SG CYS A 818 -5.888 -24.302 9.661 1.00 0.00 S ATOM 0 H CYS A 818 -8.671 -24.512 6.492 1.00 0.00 H new ATOM 0 HA CYS A 818 -5.805 -24.694 6.786 1.00 0.00 H new ATOM 0 HB2 CYS A 818 -7.297 -23.150 8.059 1.00 0.00 H new ATOM 0 HB3 CYS A 818 -8.126 -24.528 8.757 1.00 0.00 H new ATOM 0 HG CYS A 818 -5.656 -23.118 10.146 1.00 0.00 H new ATOM 1097 N SER A 819 -5.293 -26.933 7.588 1.00 0.00 N ATOM 1098 CA SER A 819 -4.872 -28.270 8.018 1.00 0.00 C ATOM 1099 C SER A 819 -5.048 -28.502 9.532 1.00 0.00 C ATOM 1100 O SER A 819 -5.034 -29.657 9.978 1.00 0.00 O ATOM 1101 CB SER A 819 -3.387 -28.490 7.658 1.00 0.00 C ATOM 1102 OG SER A 819 -3.077 -28.085 6.328 1.00 0.00 O ATOM 0 H SER A 819 -4.508 -26.334 7.331 1.00 0.00 H new ATOM 0 HA SER A 819 -5.514 -28.979 7.496 1.00 0.00 H new ATOM 0 HB2 SER A 819 -2.762 -27.935 8.357 1.00 0.00 H new ATOM 0 HB3 SER A 819 -3.141 -29.545 7.779 1.00 0.00 H new ATOM 0 HG SER A 819 -2.126 -28.243 6.151 1.00 0.00 H new ATOM 1108 N THR A 820 -5.190 -27.430 10.331 1.00 0.00 N ATOM 1109 CA THR A 820 -5.106 -27.460 11.805 1.00 0.00 C ATOM 1110 C THR A 820 -6.455 -27.228 12.481 1.00 0.00 C ATOM 1111 O THR A 820 -6.750 -27.928 13.455 1.00 0.00 O ATOM 1112 CB THR A 820 -4.053 -26.439 12.263 1.00 0.00 C ATOM 1113 OG1 THR A 820 -2.805 -26.818 11.705 1.00 0.00 O ATOM 1114 CG2 THR A 820 -3.859 -26.397 13.780 1.00 0.00 C ATOM 0 H THR A 820 -5.371 -26.496 9.963 1.00 0.00 H new ATOM 0 HA THR A 820 -4.801 -28.460 12.113 1.00 0.00 H new ATOM 0 HB THR A 820 -4.401 -25.459 11.938 1.00 0.00 H new ATOM 0 HG1 THR A 820 -2.115 -26.179 11.982 1.00 0.00 H new ATOM 0 HG21 THR A 820 -3.101 -25.654 14.029 1.00 0.00 H new ATOM 0 HG22 THR A 820 -4.801 -26.130 14.260 1.00 0.00 H new ATOM 0 HG23 THR A 820 -3.537 -27.377 14.133 1.00 0.00 H new ATOM 1122 N CYS A 821 -7.288 -26.301 11.982 1.00 0.00 N ATOM 1123 CA CYS A 821 -8.615 -25.991 12.551 1.00 0.00 C ATOM 1124 C CYS A 821 -9.809 -26.134 11.573 1.00 0.00 C ATOM 1125 O CYS A 821 -10.963 -26.201 12.010 1.00 0.00 O ATOM 1126 CB CYS A 821 -8.567 -24.621 13.255 1.00 0.00 C ATOM 1127 SG CYS A 821 -8.450 -23.197 12.122 1.00 0.00 S ATOM 0 H CYS A 821 -7.059 -25.738 11.163 1.00 0.00 H new ATOM 0 HA CYS A 821 -8.825 -26.765 13.289 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -9.461 -24.510 13.868 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -7.712 -24.603 13.931 1.00 0.00 H new ATOM 0 HG CYS A 821 -7.573 -23.450 11.196 1.00 0.00 H new ATOM 1132 N GLY A 822 -9.544 -26.264 10.266 1.00 0.00 N ATOM 1133 CA GLY A 822 -10.504 -26.751 9.260 1.00 0.00 C ATOM 1134 C GLY A 822 -11.345 -25.675 8.562 1.00 0.00 C ATOM 1135 O GLY A 822 -12.051 -25.995 7.599 1.00 0.00 O ATOM 0 H GLY A 822 -8.635 -26.028 9.867 1.00 0.00 H new ATOM 0 HA2 GLY A 822 -9.954 -27.305 8.499 1.00 0.00 H new ATOM 0 HA3 GLY A 822 -11.180 -27.457 9.743 1.00 0.00 H new ATOM 1139 N LEU A 823 -11.295 -24.416 9.016 1.00 0.00 N ATOM 1140 CA LEU A 823 -11.970 -23.268 8.386 1.00 0.00 C ATOM 1141 C LEU A 823 -11.176 -22.687 7.194 1.00 0.00 C ATOM 1142 O LEU A 823 -10.224 -23.305 6.708 1.00 0.00 O ATOM 1143 CB LEU A 823 -12.376 -22.247 9.481 1.00 0.00 C ATOM 1144 CG LEU A 823 -11.279 -21.742 10.443 1.00 0.00 C ATOM 1145 CD1 LEU A 823 -10.075 -21.103 9.731 1.00 0.00 C ATOM 1146 CD2 LEU A 823 -11.901 -20.720 11.406 1.00 0.00 C ATOM 0 H LEU A 823 -10.771 -24.158 9.853 1.00 0.00 H new ATOM 0 HA LEU A 823 -12.895 -23.600 7.914 1.00 0.00 H new ATOM 0 HB2 LEU A 823 -12.810 -21.379 8.984 1.00 0.00 H new ATOM 0 HB3 LEU A 823 -13.166 -22.698 10.082 1.00 0.00 H new ATOM 0 HG LEU A 823 -10.895 -22.613 10.973 1.00 0.00 H new ATOM 0 HD11 LEU A 823 -9.347 -20.773 10.472 1.00 0.00 H new ATOM 0 HD12 LEU A 823 -9.613 -21.836 9.070 1.00 0.00 H new ATOM 0 HD13 LEU A 823 -10.411 -20.247 9.146 1.00 0.00 H new ATOM 0 HD21 LEU A 823 -11.137 -20.355 12.092 1.00 0.00 H new ATOM 0 HD22 LEU A 823 -12.307 -19.884 10.837 1.00 0.00 H new ATOM 0 HD23 LEU A 823 -12.701 -21.195 11.974 1.00 0.00 H new ATOM 1158 N PHE A 824 -11.563 -21.494 6.726 1.00 0.00 N ATOM 1159 CA PHE A 824 -10.937 -20.780 5.612 1.00 0.00 C ATOM 1160 C PHE A 824 -10.836 -19.274 5.931 1.00 0.00 C ATOM 1161 O PHE A 824 -11.747 -18.496 5.645 1.00 0.00 O ATOM 1162 CB PHE A 824 -11.750 -21.078 4.339 1.00 0.00 C ATOM 1163 CG PHE A 824 -11.137 -20.522 3.071 1.00 0.00 C ATOM 1164 CD1 PHE A 824 -9.997 -21.144 2.528 1.00 0.00 C ATOM 1165 CD2 PHE A 824 -11.701 -19.398 2.437 1.00 0.00 C ATOM 1166 CE1 PHE A 824 -9.421 -20.637 1.352 1.00 0.00 C ATOM 1167 CE2 PHE A 824 -11.119 -18.892 1.262 1.00 0.00 C ATOM 1168 CZ PHE A 824 -9.981 -19.515 0.719 1.00 0.00 C ATOM 0 H PHE A 824 -12.349 -20.983 7.129 1.00 0.00 H new ATOM 0 HA PHE A 824 -9.914 -21.119 5.450 1.00 0.00 H new ATOM 0 HB2 PHE A 824 -11.859 -22.158 4.234 1.00 0.00 H new ATOM 0 HB3 PHE A 824 -12.753 -20.666 4.456 1.00 0.00 H new ATOM 0 HD1 PHE A 824 -9.567 -22.008 3.014 1.00 0.00 H new ATOM 0 HD2 PHE A 824 -12.579 -18.926 2.853 1.00 0.00 H new ATOM 0 HE1 PHE A 824 -8.545 -21.111 0.933 1.00 0.00 H new ATOM 0 HE2 PHE A 824 -11.545 -18.026 0.777 1.00 0.00 H new ATOM 0 HZ PHE A 824 -9.537 -19.130 -0.187 1.00 0.00 H new ATOM 1178 N LYS A 825 -9.713 -18.881 6.546 1.00 0.00 N ATOM 1179 CA LYS A 825 -9.424 -17.511 7.012 1.00 0.00 C ATOM 1180 C LYS A 825 -7.980 -17.049 6.680 1.00 0.00 C ATOM 1181 O LYS A 825 -7.386 -16.209 7.368 1.00 0.00 O ATOM 1182 CB LYS A 825 -9.754 -17.387 8.509 1.00 0.00 C ATOM 1183 CG LYS A 825 -11.267 -17.450 8.773 1.00 0.00 C ATOM 1184 CD LYS A 825 -11.527 -16.983 10.203 1.00 0.00 C ATOM 1185 CE LYS A 825 -13.033 -16.997 10.510 1.00 0.00 C ATOM 1186 NZ LYS A 825 -13.330 -16.525 11.884 1.00 0.00 N ATOM 0 H LYS A 825 -8.950 -19.529 6.742 1.00 0.00 H new ATOM 0 HA LYS A 825 -10.070 -16.828 6.461 1.00 0.00 H new ATOM 0 HB2 LYS A 825 -9.257 -18.187 9.057 1.00 0.00 H new ATOM 0 HB3 LYS A 825 -9.358 -16.446 8.891 1.00 0.00 H new ATOM 0 HG2 LYS A 825 -11.802 -16.818 8.064 1.00 0.00 H new ATOM 0 HG3 LYS A 825 -11.634 -18.467 8.633 1.00 0.00 H new ATOM 0 HD2 LYS A 825 -11.001 -17.631 10.904 1.00 0.00 H new ATOM 0 HD3 LYS A 825 -11.131 -15.977 10.341 1.00 0.00 H new ATOM 0 HE2 LYS A 825 -13.554 -16.366 9.790 1.00 0.00 H new ATOM 0 HE3 LYS A 825 -13.418 -18.009 10.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 825 -14.357 -16.552 12.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 825 -12.855 -17.142 12.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 825 -12.987 -15.550 11.998 1.00 0.00 H new ATOM 1200 N TRP A 826 -7.402 -17.623 5.621 1.00 0.00 N ATOM 1201 CA TRP A 826 -6.052 -17.310 5.133 1.00 0.00 C ATOM 1202 C TRP A 826 -5.852 -15.812 4.823 1.00 0.00 C ATOM 1203 O TRP A 826 -6.661 -15.195 4.127 1.00 0.00 O ATOM 1204 CB TRP A 826 -5.750 -18.170 3.896 1.00 0.00 C ATOM 1205 CG TRP A 826 -5.620 -19.640 4.143 1.00 0.00 C ATOM 1206 CD1 TRP A 826 -6.460 -20.590 3.675 1.00 0.00 C ATOM 1207 CD2 TRP A 826 -4.594 -20.361 4.899 1.00 0.00 C ATOM 1208 NE1 TRP A 826 -6.030 -21.837 4.083 1.00 0.00 N ATOM 1209 CE2 TRP A 826 -4.887 -21.756 4.847 1.00 0.00 C ATOM 1210 CE3 TRP A 826 -3.437 -19.972 5.609 1.00 0.00 C ATOM 1211 CZ2 TRP A 826 -4.083 -22.716 5.479 1.00 0.00 C ATOM 1212 CZ3 TRP A 826 -2.630 -20.925 6.258 1.00 0.00 C ATOM 1213 CH2 TRP A 826 -2.956 -22.290 6.196 1.00 0.00 C ATOM 0 H TRP A 826 -7.871 -18.337 5.064 1.00 0.00 H new ATOM 0 HA TRP A 826 -5.349 -17.545 5.932 1.00 0.00 H new ATOM 0 HB2 TRP A 826 -6.542 -18.012 3.164 1.00 0.00 H new ATOM 0 HB3 TRP A 826 -4.824 -17.813 3.445 1.00 0.00 H new ATOM 0 HD1 TRP A 826 -7.336 -20.402 3.072 1.00 0.00 H new ATOM 0 HE1 TRP A 826 -6.501 -22.711 3.848 1.00 0.00 H new ATOM 0 HE3 TRP A 826 -3.167 -18.927 5.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 826 -4.328 -23.766 5.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 826 -1.756 -20.605 6.806 1.00 0.00 H new ATOM 0 HH2 TRP A 826 -2.336 -23.014 6.703 1.00 0.00 H new ATOM 1224 N GLU A 827 -4.751 -15.250 5.322 1.00 0.00 N ATOM 1225 CA GLU A 827 -4.291 -13.877 5.102 1.00 0.00 C ATOM 1226 C GLU A 827 -2.895 -13.901 4.469 1.00 0.00 C ATOM 1227 O GLU A 827 -2.011 -14.609 4.953 1.00 0.00 O ATOM 1228 CB GLU A 827 -4.254 -13.155 6.464 1.00 0.00 C ATOM 1229 CG GLU A 827 -3.769 -11.700 6.360 1.00 0.00 C ATOM 1230 CD GLU A 827 -3.960 -10.954 7.688 1.00 0.00 C ATOM 1231 OE1 GLU A 827 -3.064 -11.033 8.565 1.00 0.00 O ATOM 1232 OE2 GLU A 827 -5.000 -10.274 7.864 1.00 0.00 O ATOM 0 H GLU A 827 -4.117 -15.772 5.927 1.00 0.00 H new ATOM 0 HA GLU A 827 -4.966 -13.350 4.427 1.00 0.00 H new ATOM 0 HB2 GLU A 827 -5.251 -13.169 6.904 1.00 0.00 H new ATOM 0 HB3 GLU A 827 -3.599 -13.703 7.142 1.00 0.00 H new ATOM 0 HG2 GLU A 827 -2.716 -11.684 6.079 1.00 0.00 H new ATOM 0 HG3 GLU A 827 -4.317 -11.187 5.570 1.00 0.00 H new ATOM 1239 N ARG A 828 -2.674 -13.129 3.402 1.00 0.00 N ATOM 1240 CA ARG A 828 -1.365 -13.048 2.751 1.00 0.00 C ATOM 1241 C ARG A 828 -0.347 -12.355 3.671 1.00 0.00 C ATOM 1242 O ARG A 828 -0.567 -11.221 4.108 1.00 0.00 O ATOM 1243 CB ARG A 828 -1.489 -12.356 1.381 1.00 0.00 C ATOM 1244 CG ARG A 828 -0.159 -12.418 0.610 1.00 0.00 C ATOM 1245 CD ARG A 828 -0.273 -11.838 -0.799 1.00 0.00 C ATOM 1246 NE ARG A 828 1.054 -11.762 -1.434 1.00 0.00 N ATOM 1247 CZ ARG A 828 1.301 -11.601 -2.730 1.00 0.00 C ATOM 1248 NH1 ARG A 828 0.357 -11.438 -3.627 1.00 0.00 N ATOM 1249 NH2 ARG A 828 2.543 -11.618 -3.145 1.00 0.00 N ATOM 0 H ARG A 828 -3.391 -12.547 2.968 1.00 0.00 H new ATOM 0 HA ARG A 828 -0.992 -14.056 2.568 1.00 0.00 H new ATOM 0 HB2 ARG A 828 -2.275 -12.835 0.797 1.00 0.00 H new ATOM 0 HB3 ARG A 828 -1.785 -11.316 1.520 1.00 0.00 H new ATOM 0 HG2 ARG A 828 0.604 -11.872 1.164 1.00 0.00 H new ATOM 0 HG3 ARG A 828 0.173 -13.454 0.547 1.00 0.00 H new ATOM 0 HD2 ARG A 828 -0.936 -12.459 -1.402 1.00 0.00 H new ATOM 0 HD3 ARG A 828 -0.719 -10.844 -0.755 1.00 0.00 H new ATOM 0 HE ARG A 828 1.863 -11.841 -0.818 1.00 0.00 H new ATOM 0 HH11 ARG A 828 -0.622 -11.431 -3.341 1.00 0.00 H new ATOM 0 HH12 ARG A 828 0.602 -11.319 -4.610 1.00 0.00 H new ATOM 0 HH21 ARG A 828 3.302 -11.753 -2.477 1.00 0.00 H new ATOM 0 HH22 ARG A 828 2.751 -11.496 -4.136 1.00 0.00 H new ATOM 1263 N VAL A 829 0.780 -13.015 3.925 1.00 0.00 N ATOM 1264 CA VAL A 829 1.917 -12.523 4.734 1.00 0.00 C ATOM 1265 C VAL A 829 3.136 -12.227 3.847 1.00 0.00 C ATOM 1266 O VAL A 829 3.146 -12.533 2.651 1.00 0.00 O ATOM 1267 CB VAL A 829 2.281 -13.489 5.895 1.00 0.00 C ATOM 1268 CG1 VAL A 829 1.146 -13.524 6.936 1.00 0.00 C ATOM 1269 CG2 VAL A 829 2.618 -14.918 5.435 1.00 0.00 C ATOM 0 H VAL A 829 0.944 -13.953 3.560 1.00 0.00 H new ATOM 0 HA VAL A 829 1.599 -11.589 5.196 1.00 0.00 H new ATOM 0 HB VAL A 829 3.191 -13.090 6.343 1.00 0.00 H new ATOM 0 HG11 VAL A 829 1.414 -14.205 7.744 1.00 0.00 H new ATOM 0 HG12 VAL A 829 0.992 -12.524 7.340 1.00 0.00 H new ATOM 0 HG13 VAL A 829 0.227 -13.869 6.461 1.00 0.00 H new ATOM 0 HG21 VAL A 829 2.861 -15.532 6.302 1.00 0.00 H new ATOM 0 HG22 VAL A 829 1.759 -15.346 4.917 1.00 0.00 H new ATOM 0 HG23 VAL A 829 3.473 -14.891 4.759 1.00 0.00 H new ATOM 1279 N GLY A 830 4.160 -11.587 4.430 1.00 0.00 N ATOM 1280 CA GLY A 830 5.337 -11.082 3.723 1.00 0.00 C ATOM 1281 C GLY A 830 6.335 -12.162 3.292 1.00 0.00 C ATOM 1282 O GLY A 830 6.166 -13.351 3.564 1.00 0.00 O ATOM 0 H GLY A 830 4.189 -11.403 5.433 1.00 0.00 H new ATOM 0 HA2 GLY A 830 5.007 -10.537 2.839 1.00 0.00 H new ATOM 0 HA3 GLY A 830 5.851 -10.367 4.365 1.00 0.00 H new