USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 435 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 788 HIS : no HD1:sc= -2.26 K(o=-2.3,f=-5.7) USER MOD Set 1.2: A 791 MET CE :methyl -155:sc= 0 (180deg=0) USER MOD Single : A 754 CYS SG : rot -90:sc= 1.57 USER MOD Single : A 757 TYR OH : rot 30:sc= 0 USER MOD Single : A 758 THR OG1 : rot 180:sc= 0 USER MOD Single : A 761 THR OG1 : rot 180:sc= 0 USER MOD Single : A 763 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 766 SER OG : rot 30:sc= 0.14 USER MOD Single : A 776 HIS : no HD1:sc= -3.8! K(o=-3.8!,f=-1.4) USER MOD Single : A 780 SER OG : rot 180:sc= 0 USER MOD Single : A 781 SER OG : rot 180:sc= 0 USER MOD Single : A 789 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 797 HIS : no HE2:sc= -0.883! C(o=-0.88!,f=-7.4!) USER MOD Single : A 798 LYS NZ :NH3+ 145:sc= -0.306 (180deg=-1.45) USER MOD Single : A 799 TYR OH : rot 180:sc= 0 USER MOD Single : A 801 THR OG1 : rot 180:sc=-0.00223 USER MOD ----------------------------------------------------------------- ATOM 104 N VAL A 749 -8.278 1.392 -4.567 1.00 0.00 N ATOM 105 CA VAL A 749 -7.893 2.483 -5.454 1.00 0.00 C ATOM 106 C VAL A 749 -6.542 2.209 -6.107 1.00 0.00 C ATOM 107 O VAL A 749 -5.532 2.051 -5.422 1.00 0.00 O ATOM 108 CB VAL A 749 -7.823 3.823 -4.698 1.00 0.00 C ATOM 109 CG1 VAL A 749 -7.398 4.943 -5.635 1.00 0.00 C ATOM 110 CG2 VAL A 749 -9.162 4.138 -4.049 1.00 0.00 C ATOM 0 HA VAL A 749 -8.660 2.550 -6.226 1.00 0.00 H new ATOM 0 HB VAL A 749 -7.074 3.738 -3.910 1.00 0.00 H new ATOM 0 HG11 VAL A 749 -7.354 5.882 -5.083 1.00 0.00 H new ATOM 0 HG12 VAL A 749 -6.415 4.718 -6.048 1.00 0.00 H new ATOM 0 HG13 VAL A 749 -8.120 5.032 -6.446 1.00 0.00 H new ATOM 0 HG21 VAL A 749 -9.095 5.088 -3.519 1.00 0.00 H new ATOM 0 HG22 VAL A 749 -9.932 4.205 -4.818 1.00 0.00 H new ATOM 0 HG23 VAL A 749 -9.420 3.347 -3.345 1.00 0.00 H new ATOM 120 N GLU A 750 -6.533 2.156 -7.435 1.00 0.00 N ATOM 121 CA GLU A 750 -5.306 1.901 -8.180 1.00 0.00 C ATOM 122 C GLU A 750 -4.513 3.190 -8.379 1.00 0.00 C ATOM 123 O GLU A 750 -5.041 4.187 -8.869 1.00 0.00 O ATOM 124 CB GLU A 750 -5.629 1.274 -9.538 1.00 0.00 C ATOM 125 CG GLU A 750 -5.943 -0.211 -9.464 1.00 0.00 C ATOM 126 CD GLU A 750 -6.660 -0.718 -10.700 1.00 0.00 C ATOM 127 OE1 GLU A 750 -6.241 -0.355 -11.819 1.00 0.00 O ATOM 128 OE2 GLU A 750 -7.639 -1.478 -10.548 1.00 0.00 O ATOM 0 H GLU A 750 -7.361 2.286 -8.017 1.00 0.00 H new ATOM 0 HA GLU A 750 -4.698 1.205 -7.602 1.00 0.00 H new ATOM 0 HB2 GLU A 750 -6.480 1.795 -9.976 1.00 0.00 H new ATOM 0 HB3 GLU A 750 -4.783 1.425 -10.209 1.00 0.00 H new ATOM 0 HG2 GLU A 750 -5.016 -0.768 -9.332 1.00 0.00 H new ATOM 0 HG3 GLU A 750 -6.559 -0.405 -8.586 1.00 0.00 H new ATOM 135 N ALA A 751 -3.241 3.160 -7.993 1.00 0.00 N ATOM 136 CA ALA A 751 -2.374 4.323 -8.129 1.00 0.00 C ATOM 137 C ALA A 751 -1.166 4.009 -9.006 1.00 0.00 C ATOM 138 O ALA A 751 -0.834 2.844 -9.226 1.00 0.00 O ATOM 139 CB ALA A 751 -1.922 4.808 -6.760 1.00 0.00 C ATOM 0 H ALA A 751 -2.789 2.342 -7.584 1.00 0.00 H new ATOM 0 HA ALA A 751 -2.945 5.115 -8.613 1.00 0.00 H new ATOM 0 HB1 ALA A 751 -1.275 5.677 -6.877 1.00 0.00 H new ATOM 0 HB2 ALA A 751 -2.793 5.082 -6.165 1.00 0.00 H new ATOM 0 HB3 ALA A 751 -1.373 4.013 -6.255 1.00 0.00 H new ATOM 145 N VAL A 752 -0.514 5.054 -9.504 1.00 0.00 N ATOM 146 CA VAL A 752 0.657 4.889 -10.357 1.00 0.00 C ATOM 147 C VAL A 752 1.919 5.384 -9.659 1.00 0.00 C ATOM 148 O VAL A 752 1.915 6.436 -9.020 1.00 0.00 O ATOM 149 CB VAL A 752 0.492 5.642 -11.690 1.00 0.00 C ATOM 150 CG1 VAL A 752 1.765 5.550 -12.517 1.00 0.00 C ATOM 151 CG2 VAL A 752 -0.699 5.097 -12.465 1.00 0.00 C ATOM 0 H VAL A 752 -0.777 6.024 -9.332 1.00 0.00 H new ATOM 0 HA VAL A 752 0.752 3.822 -10.561 1.00 0.00 H new ATOM 0 HB VAL A 752 0.305 6.694 -11.473 1.00 0.00 H new ATOM 0 HG11 VAL A 752 1.629 6.088 -13.455 1.00 0.00 H new ATOM 0 HG12 VAL A 752 2.592 5.992 -11.962 1.00 0.00 H new ATOM 0 HG13 VAL A 752 1.987 4.504 -12.728 1.00 0.00 H new ATOM 0 HG21 VAL A 752 -0.801 5.640 -13.404 1.00 0.00 H new ATOM 0 HG22 VAL A 752 -0.544 4.038 -12.673 1.00 0.00 H new ATOM 0 HG23 VAL A 752 -1.606 5.222 -11.873 1.00 0.00 H new ATOM 161 N ALA A 753 2.998 4.619 -9.786 1.00 0.00 N ATOM 162 CA ALA A 753 4.268 4.981 -9.170 1.00 0.00 C ATOM 163 C ALA A 753 4.950 6.107 -9.939 1.00 0.00 C ATOM 164 O ALA A 753 5.413 5.913 -11.064 1.00 0.00 O ATOM 165 CB ALA A 753 5.181 3.766 -9.090 1.00 0.00 C ATOM 0 H ALA A 753 3.018 3.744 -10.310 1.00 0.00 H new ATOM 0 HA ALA A 753 4.065 5.337 -8.160 1.00 0.00 H new ATOM 0 HB1 ALA A 753 6.126 4.051 -8.628 1.00 0.00 H new ATOM 0 HB2 ALA A 753 4.703 2.991 -8.491 1.00 0.00 H new ATOM 0 HB3 ALA A 753 5.368 3.385 -10.094 1.00 0.00 H new ATOM 171 N CYS A 754 5.008 7.285 -9.327 1.00 0.00 N ATOM 172 CA CYS A 754 5.632 8.444 -9.955 1.00 0.00 C ATOM 173 C CYS A 754 7.152 8.310 -9.953 1.00 0.00 C ATOM 174 O CYS A 754 7.830 8.806 -10.854 1.00 0.00 O ATOM 175 CB CYS A 754 5.220 9.726 -9.231 1.00 0.00 C ATOM 176 SG CYS A 754 5.703 11.244 -10.087 1.00 0.00 S ATOM 0 H CYS A 754 4.630 7.462 -8.396 1.00 0.00 H new ATOM 0 HA CYS A 754 5.291 8.494 -10.989 1.00 0.00 H new ATOM 0 HB2 CYS A 754 4.138 9.724 -9.099 1.00 0.00 H new ATOM 0 HB3 CYS A 754 5.663 9.727 -8.235 1.00 0.00 H new ATOM 0 HG CYS A 754 6.881 11.615 -9.681 1.00 0.00 H new ATOM 182 N PHE A 755 7.681 7.640 -8.935 1.00 0.00 N ATOM 183 CA PHE A 755 9.120 7.444 -8.815 1.00 0.00 C ATOM 184 C PHE A 755 9.440 6.019 -8.369 1.00 0.00 C ATOM 185 O PHE A 755 8.589 5.327 -7.811 1.00 0.00 O ATOM 186 CB PHE A 755 9.712 8.445 -7.821 1.00 0.00 C ATOM 187 CG PHE A 755 9.308 9.867 -8.090 1.00 0.00 C ATOM 188 CD1 PHE A 755 9.525 10.439 -9.333 1.00 0.00 C ATOM 189 CD2 PHE A 755 8.710 10.631 -7.101 1.00 0.00 C ATOM 190 CE1 PHE A 755 9.155 11.746 -9.584 1.00 0.00 C ATOM 191 CE2 PHE A 755 8.338 11.939 -7.346 1.00 0.00 C ATOM 192 CZ PHE A 755 8.559 12.497 -8.589 1.00 0.00 C ATOM 0 H PHE A 755 7.134 7.224 -8.181 1.00 0.00 H new ATOM 0 HA PHE A 755 9.566 7.609 -9.796 1.00 0.00 H new ATOM 0 HB2 PHE A 755 9.400 8.172 -6.813 1.00 0.00 H new ATOM 0 HB3 PHE A 755 10.799 8.373 -7.849 1.00 0.00 H new ATOM 0 HD1 PHE A 755 9.989 9.856 -10.115 1.00 0.00 H new ATOM 0 HD2 PHE A 755 8.533 10.199 -6.127 1.00 0.00 H new ATOM 0 HE1 PHE A 755 9.331 12.180 -10.557 1.00 0.00 H new ATOM 0 HE2 PHE A 755 7.875 12.524 -6.566 1.00 0.00 H new ATOM 0 HZ PHE A 755 8.267 13.518 -8.783 1.00 0.00 H new ATOM 202 N ALA A 756 10.672 5.590 -8.621 1.00 0.00 N ATOM 203 CA ALA A 756 11.105 4.249 -8.245 1.00 0.00 C ATOM 204 C ALA A 756 11.468 4.184 -6.765 1.00 0.00 C ATOM 205 O ALA A 756 12.233 5.010 -6.267 1.00 0.00 O ATOM 206 CB ALA A 756 12.288 3.818 -9.100 1.00 0.00 C ATOM 0 H ALA A 756 11.388 6.151 -9.083 1.00 0.00 H new ATOM 0 HA ALA A 756 10.276 3.564 -8.419 1.00 0.00 H new ATOM 0 HB1 ALA A 756 12.601 2.815 -8.809 1.00 0.00 H new ATOM 0 HB2 ALA A 756 11.996 3.817 -10.150 1.00 0.00 H new ATOM 0 HB3 ALA A 756 13.115 4.513 -8.954 1.00 0.00 H new ATOM 212 N TYR A 757 10.913 3.199 -6.068 1.00 0.00 N ATOM 213 CA TYR A 757 11.176 3.028 -4.644 1.00 0.00 C ATOM 214 C TYR A 757 11.760 1.648 -4.359 1.00 0.00 C ATOM 215 O TYR A 757 11.509 0.690 -5.092 1.00 0.00 O ATOM 216 CB TYR A 757 9.890 3.226 -3.840 1.00 0.00 C ATOM 217 CG TYR A 757 10.126 3.419 -2.359 1.00 0.00 C ATOM 218 CD1 TYR A 757 10.333 4.686 -1.828 1.00 0.00 C ATOM 219 CD2 TYR A 757 10.142 2.334 -1.491 1.00 0.00 C ATOM 220 CE1 TYR A 757 10.550 4.867 -0.475 1.00 0.00 C ATOM 221 CE2 TYR A 757 10.356 2.506 -0.137 1.00 0.00 C ATOM 222 CZ TYR A 757 10.560 3.774 0.366 1.00 0.00 C ATOM 223 OH TYR A 757 10.775 3.949 1.714 1.00 0.00 O ATOM 0 H TYR A 757 10.278 2.507 -6.466 1.00 0.00 H new ATOM 0 HA TYR A 757 11.905 3.780 -4.342 1.00 0.00 H new ATOM 0 HB2 TYR A 757 9.357 4.093 -4.231 1.00 0.00 H new ATOM 0 HB3 TYR A 757 9.243 2.361 -3.987 1.00 0.00 H new ATOM 0 HD1 TYR A 757 10.324 5.544 -2.484 1.00 0.00 H new ATOM 0 HD2 TYR A 757 9.984 1.339 -1.881 1.00 0.00 H new ATOM 0 HE1 TYR A 757 10.711 5.859 -0.079 1.00 0.00 H new ATOM 0 HE2 TYR A 757 10.364 1.652 0.524 1.00 0.00 H new ATOM 0 HH TYR A 757 10.437 4.827 1.988 1.00 0.00 H new ATOM 233 N THR A 758 12.540 1.552 -3.288 1.00 0.00 N ATOM 234 CA THR A 758 13.161 0.291 -2.904 1.00 0.00 C ATOM 235 C THR A 758 12.966 0.011 -1.419 1.00 0.00 C ATOM 236 O THR A 758 13.755 0.455 -0.585 1.00 0.00 O ATOM 237 CB THR A 758 14.668 0.287 -3.223 1.00 0.00 C ATOM 238 OG1 THR A 758 14.873 0.459 -4.629 1.00 0.00 O ATOM 239 CG2 THR A 758 15.315 -1.013 -2.766 1.00 0.00 C ATOM 0 H THR A 758 12.757 2.334 -2.670 1.00 0.00 H new ATOM 0 HA THR A 758 12.672 -0.491 -3.485 1.00 0.00 H new ATOM 0 HB THR A 758 15.132 1.114 -2.686 1.00 0.00 H new ATOM 0 HG1 THR A 758 15.834 0.457 -4.822 1.00 0.00 H new ATOM 0 HG21 THR A 758 16.379 -0.992 -3.002 1.00 0.00 H new ATOM 0 HG22 THR A 758 15.184 -1.126 -1.690 1.00 0.00 H new ATOM 0 HG23 THR A 758 14.846 -1.853 -3.279 1.00 0.00 H new ATOM 247 N GLY A 759 11.910 -0.729 -1.094 1.00 0.00 N ATOM 248 CA GLY A 759 11.632 -1.056 0.292 1.00 0.00 C ATOM 249 C GLY A 759 12.867 -1.519 1.038 1.00 0.00 C ATOM 250 O GLY A 759 13.536 -2.464 0.619 1.00 0.00 O ATOM 0 H GLY A 759 11.242 -1.108 -1.766 1.00 0.00 H new ATOM 0 HA2 GLY A 759 11.216 -0.181 0.792 1.00 0.00 H new ATOM 0 HA3 GLY A 759 10.873 -1.837 0.332 1.00 0.00 H new ATOM 254 N ARG A 760 13.172 -0.852 2.147 1.00 0.00 N ATOM 255 CA ARG A 760 14.337 -1.200 2.951 1.00 0.00 C ATOM 256 C ARG A 760 14.071 -2.452 3.781 1.00 0.00 C ATOM 257 O ARG A 760 14.982 -3.233 4.057 1.00 0.00 O ATOM 258 CB ARG A 760 14.714 -0.036 3.871 1.00 0.00 C ATOM 259 CG ARG A 760 15.425 1.100 3.155 1.00 0.00 C ATOM 260 CD ARG A 760 15.959 2.130 4.138 1.00 0.00 C ATOM 261 NE ARG A 760 16.920 3.036 3.514 1.00 0.00 N ATOM 262 CZ ARG A 760 17.384 4.133 4.100 1.00 0.00 C ATOM 263 NH1 ARG A 760 16.977 4.460 5.319 1.00 0.00 N ATOM 264 NH2 ARG A 760 18.257 4.907 3.468 1.00 0.00 N ATOM 0 H ARG A 760 12.629 -0.068 2.509 1.00 0.00 H new ATOM 0 HA ARG A 760 15.167 -1.404 2.274 1.00 0.00 H new ATOM 0 HB2 ARG A 760 13.810 0.351 4.342 1.00 0.00 H new ATOM 0 HB3 ARG A 760 15.355 -0.408 4.670 1.00 0.00 H new ATOM 0 HG2 ARG A 760 16.248 0.700 2.563 1.00 0.00 H new ATOM 0 HG3 ARG A 760 14.737 1.581 2.460 1.00 0.00 H new ATOM 0 HD2 ARG A 760 15.129 2.707 4.545 1.00 0.00 H new ATOM 0 HD3 ARG A 760 16.434 1.619 4.976 1.00 0.00 H new ATOM 0 HE ARG A 760 17.253 2.813 2.576 1.00 0.00 H new ATOM 0 HH11 ARG A 760 16.306 3.868 5.809 1.00 0.00 H new ATOM 0 HH12 ARG A 760 17.335 5.303 5.767 1.00 0.00 H new ATOM 0 HH21 ARG A 760 18.573 4.659 2.530 1.00 0.00 H new ATOM 0 HH22 ARG A 760 18.612 5.750 3.920 1.00 0.00 H new ATOM 278 N THR A 761 12.816 -2.638 4.177 1.00 0.00 N ATOM 279 CA THR A 761 12.430 -3.794 4.977 1.00 0.00 C ATOM 280 C THR A 761 11.097 -4.366 4.508 1.00 0.00 C ATOM 281 O THR A 761 10.380 -3.738 3.729 1.00 0.00 O ATOM 282 CB THR A 761 12.323 -3.433 6.470 1.00 0.00 C ATOM 283 OG1 THR A 761 11.254 -2.503 6.675 1.00 0.00 O ATOM 284 CG2 THR A 761 13.626 -2.834 6.977 1.00 0.00 C ATOM 0 H THR A 761 12.049 -2.003 3.957 1.00 0.00 H new ATOM 0 HA THR A 761 13.211 -4.544 4.847 1.00 0.00 H new ATOM 0 HB THR A 761 12.120 -4.347 7.027 1.00 0.00 H new ATOM 0 HG1 THR A 761 11.192 -2.280 7.627 1.00 0.00 H new ATOM 0 HG21 THR A 761 13.526 -2.587 8.034 1.00 0.00 H new ATOM 0 HG22 THR A 761 14.433 -3.556 6.848 1.00 0.00 H new ATOM 0 HG23 THR A 761 13.854 -1.930 6.413 1.00 0.00 H new ATOM 292 N ALA A 762 10.771 -5.562 4.986 1.00 0.00 N ATOM 293 CA ALA A 762 9.522 -6.218 4.618 1.00 0.00 C ATOM 294 C ALA A 762 8.350 -5.246 4.687 1.00 0.00 C ATOM 295 O ALA A 762 7.479 -5.247 3.818 1.00 0.00 O ATOM 296 CB ALA A 762 9.270 -7.417 5.519 1.00 0.00 C ATOM 0 H ALA A 762 11.355 -6.097 5.629 1.00 0.00 H new ATOM 0 HA ALA A 762 9.612 -6.564 3.588 1.00 0.00 H new ATOM 0 HB1 ALA A 762 8.334 -7.897 5.233 1.00 0.00 H new ATOM 0 HB2 ALA A 762 10.089 -8.129 5.415 1.00 0.00 H new ATOM 0 HB3 ALA A 762 9.206 -7.086 6.556 1.00 0.00 H new ATOM 302 N GLN A 763 8.334 -4.418 5.727 1.00 0.00 N ATOM 303 CA GLN A 763 7.267 -3.441 5.910 1.00 0.00 C ATOM 304 C GLN A 763 7.115 -2.564 4.672 1.00 0.00 C ATOM 305 O GLN A 763 6.000 -2.250 4.256 1.00 0.00 O ATOM 306 CB GLN A 763 7.549 -2.570 7.135 1.00 0.00 C ATOM 307 CG GLN A 763 7.520 -3.338 8.447 1.00 0.00 C ATOM 308 CD GLN A 763 8.445 -2.744 9.491 1.00 0.00 C ATOM 309 OE1 GLN A 763 8.171 -1.680 10.047 1.00 0.00 O ATOM 310 NE2 GLN A 763 9.549 -3.431 9.763 1.00 0.00 N ATOM 0 H GLN A 763 9.048 -4.404 6.455 1.00 0.00 H new ATOM 0 HA GLN A 763 6.334 -3.983 6.066 1.00 0.00 H new ATOM 0 HB2 GLN A 763 8.526 -2.101 7.020 1.00 0.00 H new ATOM 0 HB3 GLN A 763 6.813 -1.767 7.177 1.00 0.00 H new ATOM 0 HG2 GLN A 763 6.501 -3.350 8.834 1.00 0.00 H new ATOM 0 HG3 GLN A 763 7.803 -4.374 8.263 1.00 0.00 H new ATOM 0 HE21 GLN A 763 9.736 -4.309 9.278 1.00 0.00 H new ATOM 0 HE22 GLN A 763 10.210 -3.081 10.457 1.00 0.00 H new ATOM 319 N GLU A 764 8.242 -2.171 4.087 1.00 0.00 N ATOM 320 CA GLU A 764 8.233 -1.329 2.897 1.00 0.00 C ATOM 321 C GLU A 764 8.316 -2.176 1.631 1.00 0.00 C ATOM 322 O GLU A 764 9.116 -3.109 1.546 1.00 0.00 O ATOM 323 CB GLU A 764 9.396 -0.336 2.938 1.00 0.00 C ATOM 324 CG GLU A 764 9.288 0.683 4.060 1.00 0.00 C ATOM 325 CD GLU A 764 10.400 1.713 4.022 1.00 0.00 C ATOM 326 OE1 GLU A 764 11.548 1.336 3.706 1.00 0.00 O ATOM 327 OE2 GLU A 764 10.122 2.896 4.308 1.00 0.00 O ATOM 0 H GLU A 764 9.173 -2.423 4.418 1.00 0.00 H new ATOM 0 HA GLU A 764 7.294 -0.776 2.882 1.00 0.00 H new ATOM 0 HB2 GLU A 764 10.330 -0.888 3.048 1.00 0.00 H new ATOM 0 HB3 GLU A 764 9.447 0.190 1.985 1.00 0.00 H new ATOM 0 HG2 GLU A 764 8.326 1.190 3.993 1.00 0.00 H new ATOM 0 HG3 GLU A 764 9.310 0.165 5.019 1.00 0.00 H new ATOM 334 N LEU A 765 7.486 -1.844 0.649 1.00 0.00 N ATOM 335 CA LEU A 765 7.464 -2.573 -0.615 1.00 0.00 C ATOM 336 C LEU A 765 8.523 -2.035 -1.572 1.00 0.00 C ATOM 337 O LEU A 765 9.261 -1.108 -1.240 1.00 0.00 O ATOM 338 CB LEU A 765 6.080 -2.475 -1.259 1.00 0.00 C ATOM 339 CG LEU A 765 5.018 -3.433 -0.717 1.00 0.00 C ATOM 340 CD1 LEU A 765 3.644 -3.065 -1.255 1.00 0.00 C ATOM 341 CD2 LEU A 765 5.365 -4.871 -1.074 1.00 0.00 C ATOM 0 H LEU A 765 6.819 -1.074 0.703 1.00 0.00 H new ATOM 0 HA LEU A 765 7.687 -3.619 -0.407 1.00 0.00 H new ATOM 0 HB2 LEU A 765 5.716 -1.455 -1.137 1.00 0.00 H new ATOM 0 HB3 LEU A 765 6.186 -2.650 -2.330 1.00 0.00 H new ATOM 0 HG LEU A 765 4.996 -3.345 0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 765 2.901 -3.757 -0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 765 3.393 -2.049 -0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 765 3.652 -3.124 -2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 765 4.599 -5.539 -0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 765 5.415 -4.975 -2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 765 6.330 -5.131 -0.640 1.00 0.00 H new ATOM 353 N SER A 766 8.590 -2.623 -2.762 1.00 0.00 N ATOM 354 CA SER A 766 9.560 -2.204 -3.768 1.00 0.00 C ATOM 355 C SER A 766 8.950 -2.257 -5.165 1.00 0.00 C ATOM 356 O SER A 766 8.382 -3.272 -5.569 1.00 0.00 O ATOM 357 CB SER A 766 10.804 -3.092 -3.708 1.00 0.00 C ATOM 358 OG SER A 766 10.481 -4.443 -3.988 1.00 0.00 O ATOM 0 H SER A 766 7.985 -3.391 -3.053 1.00 0.00 H new ATOM 0 HA SER A 766 9.847 -1.174 -3.555 1.00 0.00 H new ATOM 0 HB2 SER A 766 11.544 -2.736 -4.425 1.00 0.00 H new ATOM 0 HB3 SER A 766 11.258 -3.021 -2.720 1.00 0.00 H new ATOM 0 HG SER A 766 9.713 -4.477 -4.596 1.00 0.00 H new ATOM 364 N PHE A 767 9.073 -1.157 -5.900 1.00 0.00 N ATOM 365 CA PHE A 767 8.534 -1.076 -7.252 1.00 0.00 C ATOM 366 C PHE A 767 9.298 -0.048 -8.082 1.00 0.00 C ATOM 367 O PHE A 767 10.061 0.755 -7.545 1.00 0.00 O ATOM 368 CB PHE A 767 7.048 -0.712 -7.211 1.00 0.00 C ATOM 369 CG PHE A 767 6.724 0.376 -6.227 1.00 0.00 C ATOM 370 CD1 PHE A 767 7.034 1.697 -6.509 1.00 0.00 C ATOM 371 CD2 PHE A 767 6.111 0.077 -5.021 1.00 0.00 C ATOM 372 CE1 PHE A 767 6.737 2.700 -5.606 1.00 0.00 C ATOM 373 CE2 PHE A 767 5.812 1.077 -4.115 1.00 0.00 C ATOM 374 CZ PHE A 767 6.126 2.390 -4.407 1.00 0.00 C ATOM 0 H PHE A 767 9.542 -0.309 -5.582 1.00 0.00 H new ATOM 0 HA PHE A 767 8.649 -2.053 -7.721 1.00 0.00 H new ATOM 0 HB2 PHE A 767 6.732 -0.397 -8.206 1.00 0.00 H new ATOM 0 HB3 PHE A 767 6.471 -1.602 -6.960 1.00 0.00 H new ATOM 0 HD1 PHE A 767 7.513 1.945 -7.445 1.00 0.00 H new ATOM 0 HD2 PHE A 767 5.864 -0.948 -4.786 1.00 0.00 H new ATOM 0 HE1 PHE A 767 6.983 3.726 -5.838 1.00 0.00 H new ATOM 0 HE2 PHE A 767 5.333 0.832 -3.179 1.00 0.00 H new ATOM 0 HZ PHE A 767 5.894 3.172 -3.699 1.00 0.00 H new ATOM 384 N ARG A 768 9.087 -0.081 -9.394 1.00 0.00 N ATOM 385 CA ARG A 768 9.756 0.846 -10.298 1.00 0.00 C ATOM 386 C ARG A 768 8.768 1.862 -10.864 1.00 0.00 C ATOM 387 O ARG A 768 7.579 1.576 -11.002 1.00 0.00 O ATOM 388 CB ARG A 768 10.428 0.082 -11.440 1.00 0.00 C ATOM 389 CG ARG A 768 11.640 -0.725 -11.003 1.00 0.00 C ATOM 390 CD ARG A 768 12.290 -1.436 -12.180 1.00 0.00 C ATOM 391 NE ARG A 768 13.405 -2.281 -11.760 1.00 0.00 N ATOM 392 CZ ARG A 768 14.110 -3.035 -12.596 1.00 0.00 C ATOM 393 NH1 ARG A 768 13.818 -3.049 -13.889 1.00 0.00 N ATOM 394 NH2 ARG A 768 15.111 -3.777 -12.139 1.00 0.00 N ATOM 0 H ARG A 768 8.458 -0.739 -9.854 1.00 0.00 H new ATOM 0 HA ARG A 768 10.517 1.382 -9.731 1.00 0.00 H new ATOM 0 HB2 ARG A 768 9.700 -0.590 -11.895 1.00 0.00 H new ATOM 0 HB3 ARG A 768 10.732 0.791 -12.210 1.00 0.00 H new ATOM 0 HG2 ARG A 768 12.366 -0.065 -10.529 1.00 0.00 H new ATOM 0 HG3 ARG A 768 11.340 -1.458 -10.254 1.00 0.00 H new ATOM 0 HD2 ARG A 768 11.545 -2.046 -12.691 1.00 0.00 H new ATOM 0 HD3 ARG A 768 12.645 -0.697 -12.899 1.00 0.00 H new ATOM 0 HE ARG A 768 13.656 -2.293 -10.771 1.00 0.00 H new ATOM 0 HH11 ARG A 768 13.050 -2.480 -14.245 1.00 0.00 H new ATOM 0 HH12 ARG A 768 14.361 -3.629 -14.528 1.00 0.00 H new ATOM 0 HH21 ARG A 768 15.340 -3.769 -11.145 1.00 0.00 H new ATOM 0 HH22 ARG A 768 15.652 -4.356 -12.782 1.00 0.00 H new ATOM 408 N ARG A 769 9.270 3.050 -11.189 1.00 0.00 N ATOM 409 CA ARG A 769 8.432 4.109 -11.738 1.00 0.00 C ATOM 410 C ARG A 769 7.483 3.557 -12.798 1.00 0.00 C ATOM 411 O ARG A 769 7.909 2.894 -13.743 1.00 0.00 O ATOM 412 CB ARG A 769 9.300 5.214 -12.342 1.00 0.00 C ATOM 413 CG ARG A 769 8.502 6.295 -13.053 1.00 0.00 C ATOM 414 CD ARG A 769 9.297 6.916 -14.191 1.00 0.00 C ATOM 415 NE ARG A 769 8.438 7.624 -15.136 1.00 0.00 N ATOM 416 CZ ARG A 769 8.898 8.296 -16.186 1.00 0.00 C ATOM 417 NH1 ARG A 769 10.201 8.351 -16.423 1.00 0.00 N ATOM 418 NH2 ARG A 769 8.053 8.915 -17.001 1.00 0.00 N ATOM 0 H ARG A 769 10.252 3.302 -11.081 1.00 0.00 H new ATOM 0 HA ARG A 769 7.838 4.526 -10.925 1.00 0.00 H new ATOM 0 HB2 ARG A 769 9.892 5.673 -11.550 1.00 0.00 H new ATOM 0 HB3 ARG A 769 10.001 4.769 -13.047 1.00 0.00 H new ATOM 0 HG2 ARG A 769 7.578 5.869 -13.443 1.00 0.00 H new ATOM 0 HG3 ARG A 769 8.220 7.069 -12.340 1.00 0.00 H new ATOM 0 HD2 ARG A 769 10.034 7.607 -13.783 1.00 0.00 H new ATOM 0 HD3 ARG A 769 9.848 6.136 -14.716 1.00 0.00 H new ATOM 0 HE ARG A 769 7.430 7.602 -14.982 1.00 0.00 H new ATOM 0 HH11 ARG A 769 10.853 7.877 -15.799 1.00 0.00 H new ATOM 0 HH12 ARG A 769 10.551 8.868 -17.230 1.00 0.00 H new ATOM 0 HH21 ARG A 769 7.050 8.875 -16.822 1.00 0.00 H new ATOM 0 HH22 ARG A 769 8.407 9.431 -17.807 1.00 0.00 H new ATOM 432 N GLY A 770 6.193 3.835 -12.633 1.00 0.00 N ATOM 433 CA GLY A 770 5.204 3.358 -13.582 1.00 0.00 C ATOM 434 C GLY A 770 4.462 2.135 -13.082 1.00 0.00 C ATOM 435 O GLY A 770 3.302 1.918 -13.431 1.00 0.00 O ATOM 0 H GLY A 770 5.816 4.382 -11.859 1.00 0.00 H new ATOM 0 HA2 GLY A 770 4.489 4.154 -13.787 1.00 0.00 H new ATOM 0 HA3 GLY A 770 5.696 3.120 -14.525 1.00 0.00 H new ATOM 439 N ASP A 771 5.134 1.332 -12.263 1.00 0.00 N ATOM 440 CA ASP A 771 4.531 0.123 -11.714 1.00 0.00 C ATOM 441 C ASP A 771 3.284 0.458 -10.902 1.00 0.00 C ATOM 442 O ASP A 771 3.366 1.101 -9.855 1.00 0.00 O ATOM 443 CB ASP A 771 5.540 -0.623 -10.839 1.00 0.00 C ATOM 444 CG ASP A 771 6.528 -1.432 -11.656 1.00 0.00 C ATOM 445 OD1 ASP A 771 6.097 -2.097 -12.621 1.00 0.00 O ATOM 446 OD2 ASP A 771 7.733 -1.398 -11.331 1.00 0.00 O ATOM 0 H ASP A 771 6.096 1.497 -11.965 1.00 0.00 H new ATOM 0 HA ASP A 771 4.239 -0.518 -12.546 1.00 0.00 H new ATOM 0 HB2 ASP A 771 6.083 0.094 -10.224 1.00 0.00 H new ATOM 0 HB3 ASP A 771 5.006 -1.287 -10.159 1.00 0.00 H new ATOM 451 N VAL A 772 2.129 0.019 -11.392 1.00 0.00 N ATOM 452 CA VAL A 772 0.864 0.272 -10.712 1.00 0.00 C ATOM 453 C VAL A 772 0.727 -0.596 -9.466 1.00 0.00 C ATOM 454 O VAL A 772 1.184 -1.739 -9.439 1.00 0.00 O ATOM 455 CB VAL A 772 -0.335 0.008 -11.642 1.00 0.00 C ATOM 456 CG1 VAL A 772 -1.634 0.423 -10.968 1.00 0.00 C ATOM 457 CG2 VAL A 772 -0.154 0.738 -12.964 1.00 0.00 C ATOM 0 H VAL A 772 2.043 -0.514 -12.258 1.00 0.00 H new ATOM 0 HA VAL A 772 0.865 1.323 -10.421 1.00 0.00 H new ATOM 0 HB VAL A 772 -0.385 -1.061 -11.848 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -2.470 0.229 -11.640 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -1.766 -0.149 -10.050 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -1.598 1.486 -10.731 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -1.010 0.540 -13.609 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -0.078 1.810 -12.780 1.00 0.00 H new ATOM 0 HG23 VAL A 772 0.756 0.388 -13.451 1.00 0.00 H new ATOM 467 N LEU A 773 0.096 -0.045 -8.435 1.00 0.00 N ATOM 468 CA LEU A 773 -0.102 -0.768 -7.184 1.00 0.00 C ATOM 469 C LEU A 773 -1.486 -0.487 -6.606 1.00 0.00 C ATOM 470 O LEU A 773 -1.923 0.662 -6.548 1.00 0.00 O ATOM 471 CB LEU A 773 0.975 -0.378 -6.170 1.00 0.00 C ATOM 472 CG LEU A 773 2.326 0.038 -6.753 1.00 0.00 C ATOM 473 CD1 LEU A 773 3.045 0.990 -5.809 1.00 0.00 C ATOM 474 CD2 LEU A 773 3.185 -1.186 -7.035 1.00 0.00 C ATOM 0 H LEU A 773 -0.287 0.900 -8.441 1.00 0.00 H new ATOM 0 HA LEU A 773 -0.025 -1.835 -7.394 1.00 0.00 H new ATOM 0 HB2 LEU A 773 0.595 0.444 -5.564 1.00 0.00 H new ATOM 0 HB3 LEU A 773 1.136 -1.221 -5.498 1.00 0.00 H new ATOM 0 HG LEU A 773 2.149 0.558 -7.695 1.00 0.00 H new ATOM 0 HD11 LEU A 773 4.004 1.275 -6.241 1.00 0.00 H new ATOM 0 HD12 LEU A 773 2.436 1.881 -5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 773 3.210 0.497 -4.851 1.00 0.00 H new ATOM 0 HD21 LEU A 773 4.143 -0.871 -7.449 1.00 0.00 H new ATOM 0 HD22 LEU A 773 3.354 -1.734 -6.108 1.00 0.00 H new ATOM 0 HD23 LEU A 773 2.675 -1.832 -7.750 1.00 0.00 H new ATOM 486 N ARG A 774 -2.168 -1.544 -6.178 1.00 0.00 N ATOM 487 CA ARG A 774 -3.501 -1.411 -5.603 1.00 0.00 C ATOM 488 C ARG A 774 -3.427 -0.875 -4.177 1.00 0.00 C ATOM 489 O ARG A 774 -2.758 -1.452 -3.318 1.00 0.00 O ATOM 490 CB ARG A 774 -4.222 -2.761 -5.615 1.00 0.00 C ATOM 491 CG ARG A 774 -5.000 -3.024 -6.894 1.00 0.00 C ATOM 492 CD ARG A 774 -6.116 -4.032 -6.669 1.00 0.00 C ATOM 493 NE ARG A 774 -7.138 -3.959 -7.710 1.00 0.00 N ATOM 494 CZ ARG A 774 -8.365 -4.448 -7.570 1.00 0.00 C ATOM 495 NH1 ARG A 774 -8.721 -5.042 -6.440 1.00 0.00 N ATOM 496 NH2 ARG A 774 -9.239 -4.343 -8.563 1.00 0.00 N ATOM 0 H ARG A 774 -1.820 -2.502 -6.219 1.00 0.00 H new ATOM 0 HA ARG A 774 -4.062 -0.701 -6.211 1.00 0.00 H new ATOM 0 HB2 ARG A 774 -3.489 -3.556 -5.475 1.00 0.00 H new ATOM 0 HB3 ARG A 774 -4.906 -2.806 -4.768 1.00 0.00 H new ATOM 0 HG2 ARG A 774 -5.421 -2.089 -7.264 1.00 0.00 H new ATOM 0 HG3 ARG A 774 -4.323 -3.395 -7.664 1.00 0.00 H new ATOM 0 HD2 ARG A 774 -5.696 -5.038 -6.643 1.00 0.00 H new ATOM 0 HD3 ARG A 774 -6.575 -3.853 -5.697 1.00 0.00 H new ATOM 0 HE ARG A 774 -6.896 -3.508 -8.592 1.00 0.00 H new ATOM 0 HH11 ARG A 774 -8.052 -5.125 -5.675 1.00 0.00 H new ATOM 0 HH12 ARG A 774 -9.664 -5.416 -6.336 1.00 0.00 H new ATOM 0 HH21 ARG A 774 -8.969 -3.887 -9.434 1.00 0.00 H new ATOM 0 HH22 ARG A 774 -10.181 -4.719 -8.455 1.00 0.00 H new ATOM 510 N LEU A 775 -4.118 0.233 -3.930 1.00 0.00 N ATOM 511 CA LEU A 775 -4.131 0.849 -2.608 1.00 0.00 C ATOM 512 C LEU A 775 -5.282 0.307 -1.766 1.00 0.00 C ATOM 513 O LEU A 775 -6.389 0.847 -1.788 1.00 0.00 O ATOM 514 CB LEU A 775 -4.246 2.369 -2.732 1.00 0.00 C ATOM 515 CG LEU A 775 -3.158 3.059 -3.556 1.00 0.00 C ATOM 516 CD1 LEU A 775 -3.263 4.570 -3.418 1.00 0.00 C ATOM 517 CD2 LEU A 775 -1.780 2.577 -3.129 1.00 0.00 C ATOM 0 H LEU A 775 -4.677 0.723 -4.629 1.00 0.00 H new ATOM 0 HA LEU A 775 -3.193 0.602 -2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 775 -5.214 2.605 -3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 775 -4.241 2.797 -1.729 1.00 0.00 H new ATOM 0 HG LEU A 775 -3.303 2.799 -4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 775 -2.481 5.045 -4.011 1.00 0.00 H new ATOM 0 HD12 LEU A 775 -4.239 4.901 -3.773 1.00 0.00 H new ATOM 0 HD13 LEU A 775 -3.144 4.849 -2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 775 -1.018 3.078 -3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 775 -1.625 2.807 -2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 775 -1.708 1.500 -3.280 1.00 0.00 H new ATOM 529 N HIS A 776 -5.014 -0.762 -1.023 1.00 0.00 N ATOM 530 CA HIS A 776 -6.027 -1.375 -0.172 1.00 0.00 C ATOM 531 C HIS A 776 -6.651 -0.341 0.761 1.00 0.00 C ATOM 532 O HIS A 776 -7.857 -0.103 0.719 1.00 0.00 O ATOM 533 CB HIS A 776 -5.416 -2.514 0.645 1.00 0.00 C ATOM 534 CG HIS A 776 -4.786 -3.582 -0.194 1.00 0.00 C ATOM 535 ND1 HIS A 776 -4.571 -4.867 0.260 1.00 0.00 N ATOM 536 CD2 HIS A 776 -4.326 -3.553 -1.467 1.00 0.00 C ATOM 537 CE1 HIS A 776 -4.004 -5.580 -0.697 1.00 0.00 C ATOM 538 NE2 HIS A 776 -3.845 -4.806 -1.755 1.00 0.00 N ATOM 0 H HIS A 776 -4.104 -1.222 -0.993 1.00 0.00 H new ATOM 0 HA HIS A 776 -6.810 -1.778 -0.814 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -4.665 -2.104 1.320 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -6.192 -2.962 1.266 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -4.336 -2.702 -2.132 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -3.719 -6.619 -0.626 1.00 0.00 H new ATOM 0 HE2 HIS A 776 -3.432 -5.093 -2.642 1.00 0.00 H new ATOM 546 N GLU A 777 -5.820 0.268 1.602 1.00 0.00 N ATOM 547 CA GLU A 777 -6.292 1.274 2.545 1.00 0.00 C ATOM 548 C GLU A 777 -5.124 2.073 3.118 1.00 0.00 C ATOM 549 O GLU A 777 -4.048 1.528 3.367 1.00 0.00 O ATOM 550 CB GLU A 777 -7.077 0.613 3.680 1.00 0.00 C ATOM 551 CG GLU A 777 -8.158 1.502 4.270 1.00 0.00 C ATOM 552 CD GLU A 777 -9.202 0.718 5.041 1.00 0.00 C ATOM 553 OE1 GLU A 777 -8.891 0.251 6.157 1.00 0.00 O ATOM 554 OE2 GLU A 777 -10.331 0.571 4.528 1.00 0.00 O ATOM 0 H GLU A 777 -4.818 0.082 1.649 1.00 0.00 H new ATOM 0 HA GLU A 777 -6.950 1.958 2.008 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -7.535 -0.304 3.308 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -6.384 0.325 4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -7.698 2.236 4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -8.645 2.057 3.468 1.00 0.00 H new ATOM 561 N ARG A 778 -5.344 3.367 3.323 1.00 0.00 N ATOM 562 CA ARG A 778 -4.311 4.242 3.865 1.00 0.00 C ATOM 563 C ARG A 778 -3.742 3.674 5.162 1.00 0.00 C ATOM 564 O ARG A 778 -4.476 3.436 6.121 1.00 0.00 O ATOM 565 CB ARG A 778 -4.876 5.641 4.113 1.00 0.00 C ATOM 566 CG ARG A 778 -3.807 6.713 4.258 1.00 0.00 C ATOM 567 CD ARG A 778 -3.447 7.325 2.913 1.00 0.00 C ATOM 568 NE ARG A 778 -4.294 8.470 2.589 1.00 0.00 N ATOM 569 CZ ARG A 778 -4.308 9.597 3.292 1.00 0.00 C ATOM 570 NH1 ARG A 778 -3.525 9.729 4.354 1.00 0.00 N ATOM 571 NH2 ARG A 778 -5.107 10.594 2.934 1.00 0.00 N ATOM 0 H ARG A 778 -6.229 3.833 3.122 1.00 0.00 H new ATOM 0 HA ARG A 778 -3.506 4.307 3.133 1.00 0.00 H new ATOM 0 HB2 ARG A 778 -5.537 5.908 3.288 1.00 0.00 H new ATOM 0 HB3 ARG A 778 -5.485 5.623 5.017 1.00 0.00 H new ATOM 0 HG2 ARG A 778 -4.162 7.494 4.931 1.00 0.00 H new ATOM 0 HG3 ARG A 778 -2.916 6.281 4.713 1.00 0.00 H new ATOM 0 HD2 ARG A 778 -2.403 7.638 2.925 1.00 0.00 H new ATOM 0 HD3 ARG A 778 -3.544 6.570 2.133 1.00 0.00 H new ATOM 0 HE ARG A 778 -4.909 8.400 1.778 1.00 0.00 H new ATOM 0 HH11 ARG A 778 -2.910 8.964 4.633 1.00 0.00 H new ATOM 0 HH12 ARG A 778 -3.537 10.595 4.892 1.00 0.00 H new ATOM 0 HH21 ARG A 778 -5.711 10.495 2.118 1.00 0.00 H new ATOM 0 HH22 ARG A 778 -5.117 11.459 3.475 1.00 0.00 H new ATOM 585 N ALA A 779 -2.431 3.458 5.183 1.00 0.00 N ATOM 586 CA ALA A 779 -1.764 2.919 6.362 1.00 0.00 C ATOM 587 C ALA A 779 -1.394 4.030 7.338 1.00 0.00 C ATOM 588 O ALA A 779 -1.641 3.922 8.539 1.00 0.00 O ATOM 589 CB ALA A 779 -0.525 2.136 5.955 1.00 0.00 C ATOM 0 H ALA A 779 -1.810 3.648 4.397 1.00 0.00 H new ATOM 0 HA ALA A 779 -2.457 2.245 6.866 1.00 0.00 H new ATOM 0 HB1 ALA A 779 -0.037 1.739 6.845 1.00 0.00 H new ATOM 0 HB2 ALA A 779 -0.813 1.313 5.302 1.00 0.00 H new ATOM 0 HB3 ALA A 779 0.164 2.794 5.426 1.00 0.00 H new ATOM 595 N SER A 780 -0.799 5.098 6.815 1.00 0.00 N ATOM 596 CA SER A 780 -0.390 6.227 7.642 1.00 0.00 C ATOM 597 C SER A 780 -0.771 7.549 6.982 1.00 0.00 C ATOM 598 O SER A 780 -1.404 7.570 5.927 1.00 0.00 O ATOM 599 CB SER A 780 1.118 6.184 7.891 1.00 0.00 C ATOM 600 OG SER A 780 1.560 4.857 8.121 1.00 0.00 O ATOM 0 H SER A 780 -0.590 5.205 5.822 1.00 0.00 H new ATOM 0 HA SER A 780 -0.910 6.154 8.597 1.00 0.00 H new ATOM 0 HB2 SER A 780 1.643 6.602 7.032 1.00 0.00 H new ATOM 0 HB3 SER A 780 1.366 6.807 8.750 1.00 0.00 H new ATOM 0 HG SER A 780 2.528 4.857 8.276 1.00 0.00 H new ATOM 606 N SER A 781 -0.379 8.652 7.612 1.00 0.00 N ATOM 607 CA SER A 781 -0.682 9.979 7.090 1.00 0.00 C ATOM 608 C SER A 781 -0.052 10.178 5.715 1.00 0.00 C ATOM 609 O SER A 781 -0.596 10.885 4.867 1.00 0.00 O ATOM 610 CB SER A 781 -0.180 11.056 8.054 1.00 0.00 C ATOM 611 OG SER A 781 1.227 10.989 8.206 1.00 0.00 O ATOM 0 H SER A 781 0.149 8.653 8.485 1.00 0.00 H new ATOM 0 HA SER A 781 -1.764 10.066 6.991 1.00 0.00 H new ATOM 0 HB2 SER A 781 -0.462 12.041 7.682 1.00 0.00 H new ATOM 0 HB3 SER A 781 -0.660 10.932 9.025 1.00 0.00 H new ATOM 0 HG SER A 781 1.523 11.688 8.825 1.00 0.00 H new ATOM 617 N ASP A 782 1.099 9.550 5.502 1.00 0.00 N ATOM 618 CA ASP A 782 1.804 9.656 4.230 1.00 0.00 C ATOM 619 C ASP A 782 2.229 8.280 3.727 1.00 0.00 C ATOM 620 O ASP A 782 3.331 8.111 3.207 1.00 0.00 O ATOM 621 CB ASP A 782 3.030 10.560 4.375 1.00 0.00 C ATOM 622 CG ASP A 782 2.714 12.015 4.090 1.00 0.00 C ATOM 623 OD1 ASP A 782 1.921 12.609 4.850 1.00 0.00 O ATOM 624 OD2 ASP A 782 3.258 12.559 3.107 1.00 0.00 O ATOM 0 H ASP A 782 1.564 8.962 6.194 1.00 0.00 H new ATOM 0 HA ASP A 782 1.122 10.095 3.501 1.00 0.00 H new ATOM 0 HB2 ASP A 782 3.427 10.469 5.386 1.00 0.00 H new ATOM 0 HB3 ASP A 782 3.810 10.221 3.694 1.00 0.00 H new ATOM 629 N TRP A 783 1.347 7.300 3.887 1.00 0.00 N ATOM 630 CA TRP A 783 1.631 5.937 3.450 1.00 0.00 C ATOM 631 C TRP A 783 0.353 5.229 3.013 1.00 0.00 C ATOM 632 O TRP A 783 -0.750 5.731 3.227 1.00 0.00 O ATOM 633 CB TRP A 783 2.306 5.150 4.574 1.00 0.00 C ATOM 634 CG TRP A 783 3.729 5.557 4.812 1.00 0.00 C ATOM 635 CD1 TRP A 783 4.168 6.579 5.603 1.00 0.00 C ATOM 636 CD2 TRP A 783 4.899 4.950 4.251 1.00 0.00 C ATOM 637 NE1 TRP A 783 5.540 6.645 5.569 1.00 0.00 N ATOM 638 CE2 TRP A 783 6.012 5.656 4.747 1.00 0.00 C ATOM 639 CE3 TRP A 783 5.114 3.879 3.380 1.00 0.00 C ATOM 640 CZ2 TRP A 783 7.319 5.324 4.399 1.00 0.00 C ATOM 641 CZ3 TRP A 783 6.411 3.551 3.036 1.00 0.00 C ATOM 642 CH2 TRP A 783 7.500 4.271 3.545 1.00 0.00 C ATOM 0 H TRP A 783 0.430 7.423 4.316 1.00 0.00 H new ATOM 0 HA TRP A 783 2.306 5.988 2.596 1.00 0.00 H new ATOM 0 HB2 TRP A 783 1.738 5.285 5.494 1.00 0.00 H new ATOM 0 HB3 TRP A 783 2.275 4.087 4.333 1.00 0.00 H new ATOM 0 HD1 TRP A 783 3.530 7.239 6.172 1.00 0.00 H new ATOM 0 HE1 TRP A 783 6.114 7.321 6.074 1.00 0.00 H new ATOM 0 HE3 TRP A 783 4.281 3.318 2.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 783 8.160 5.878 4.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 783 6.589 2.725 2.363 1.00 0.00 H new ATOM 0 HH2 TRP A 783 8.502 3.989 3.257 1.00 0.00 H new ATOM 653 N TRP A 784 0.510 4.061 2.400 1.00 0.00 N ATOM 654 CA TRP A 784 -0.632 3.284 1.933 1.00 0.00 C ATOM 655 C TRP A 784 -0.375 1.789 2.093 1.00 0.00 C ATOM 656 O TRP A 784 0.734 1.373 2.426 1.00 0.00 O ATOM 657 CB TRP A 784 -0.931 3.608 0.469 1.00 0.00 C ATOM 658 CG TRP A 784 -1.259 5.052 0.235 1.00 0.00 C ATOM 659 CD1 TRP A 784 -0.381 6.098 0.212 1.00 0.00 C ATOM 660 CD2 TRP A 784 -2.556 5.608 -0.006 1.00 0.00 C ATOM 661 NE1 TRP A 784 -1.054 7.271 -0.029 1.00 0.00 N ATOM 662 CE2 TRP A 784 -2.389 6.998 -0.167 1.00 0.00 C ATOM 663 CE3 TRP A 784 -3.841 5.068 -0.103 1.00 0.00 C ATOM 664 CZ2 TRP A 784 -3.460 7.851 -0.419 1.00 0.00 C ATOM 665 CZ3 TRP A 784 -4.903 5.917 -0.352 1.00 0.00 C ATOM 666 CH2 TRP A 784 -4.708 7.295 -0.509 1.00 0.00 C ATOM 0 H TRP A 784 1.417 3.632 2.215 1.00 0.00 H new ATOM 0 HA TRP A 784 -1.496 3.553 2.541 1.00 0.00 H new ATOM 0 HB2 TRP A 784 -0.069 3.336 -0.139 1.00 0.00 H new ATOM 0 HB3 TRP A 784 -1.766 2.994 0.132 1.00 0.00 H new ATOM 0 HD1 TRP A 784 0.685 6.015 0.361 1.00 0.00 H new ATOM 0 HE1 TRP A 784 -0.628 8.196 -0.095 1.00 0.00 H new ATOM 0 HE3 TRP A 784 -4.002 4.006 0.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 784 -3.312 8.914 -0.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 784 -5.901 5.511 -0.427 1.00 0.00 H new ATOM 0 HH2 TRP A 784 -5.558 7.931 -0.705 1.00 0.00 H new ATOM 677 N ARG A 785 -1.408 0.987 1.854 1.00 0.00 N ATOM 678 CA ARG A 785 -1.293 -0.462 1.973 1.00 0.00 C ATOM 679 C ARG A 785 -1.739 -1.150 0.686 1.00 0.00 C ATOM 680 O ARG A 785 -2.920 -1.144 0.344 1.00 0.00 O ATOM 681 CB ARG A 785 -2.130 -0.966 3.150 1.00 0.00 C ATOM 682 CG ARG A 785 -1.457 -0.782 4.500 1.00 0.00 C ATOM 683 CD ARG A 785 -2.071 -1.686 5.557 1.00 0.00 C ATOM 684 NE ARG A 785 -1.404 -1.549 6.849 1.00 0.00 N ATOM 685 CZ ARG A 785 -1.447 -2.475 7.800 1.00 0.00 C ATOM 686 NH1 ARG A 785 -2.120 -3.600 7.605 1.00 0.00 N ATOM 687 NH2 ARG A 785 -0.814 -2.277 8.950 1.00 0.00 N ATOM 0 H ARG A 785 -2.333 1.316 1.577 1.00 0.00 H new ATOM 0 HA ARG A 785 -0.245 -0.705 2.150 1.00 0.00 H new ATOM 0 HB2 ARG A 785 -3.086 -0.442 3.156 1.00 0.00 H new ATOM 0 HB3 ARG A 785 -2.347 -2.024 3.003 1.00 0.00 H new ATOM 0 HG2 ARG A 785 -0.392 -0.998 4.409 1.00 0.00 H new ATOM 0 HG3 ARG A 785 -1.546 0.258 4.813 1.00 0.00 H new ATOM 0 HD2 ARG A 785 -3.129 -1.447 5.668 1.00 0.00 H new ATOM 0 HD3 ARG A 785 -2.011 -2.723 5.226 1.00 0.00 H new ATOM 0 HE ARG A 785 -0.876 -0.695 7.031 1.00 0.00 H new ATOM 0 HH11 ARG A 785 -2.607 -3.757 6.722 1.00 0.00 H new ATOM 0 HH12 ARG A 785 -2.151 -4.309 8.337 1.00 0.00 H new ATOM 0 HH21 ARG A 785 -0.294 -1.413 9.104 1.00 0.00 H new ATOM 0 HH22 ARG A 785 -0.848 -2.989 9.680 1.00 0.00 H new ATOM 701 N GLY A 786 -0.783 -1.742 -0.023 1.00 0.00 N ATOM 702 CA GLY A 786 -1.097 -2.426 -1.264 1.00 0.00 C ATOM 703 C GLY A 786 -0.339 -3.730 -1.416 1.00 0.00 C ATOM 704 O GLY A 786 0.379 -4.147 -0.507 1.00 0.00 O ATOM 0 H GLY A 786 0.203 -1.760 0.239 1.00 0.00 H new ATOM 0 HA2 GLY A 786 -2.168 -2.625 -1.304 1.00 0.00 H new ATOM 0 HA3 GLY A 786 -0.862 -1.773 -2.105 1.00 0.00 H new ATOM 708 N GLU A 787 -0.500 -4.377 -2.566 1.00 0.00 N ATOM 709 CA GLU A 787 0.173 -5.643 -2.830 1.00 0.00 C ATOM 710 C GLU A 787 0.824 -5.635 -4.210 1.00 0.00 C ATOM 711 O GLU A 787 0.154 -5.438 -5.225 1.00 0.00 O ATOM 712 CB GLU A 787 -0.819 -6.804 -2.730 1.00 0.00 C ATOM 713 CG GLU A 787 -0.391 -8.039 -3.505 1.00 0.00 C ATOM 714 CD GLU A 787 -1.439 -9.134 -3.481 1.00 0.00 C ATOM 715 OE1 GLU A 787 -2.617 -8.836 -3.769 1.00 0.00 O ATOM 716 OE2 GLU A 787 -1.081 -10.291 -3.176 1.00 0.00 O ATOM 0 H GLU A 787 -1.090 -4.045 -3.329 1.00 0.00 H new ATOM 0 HA GLU A 787 0.952 -5.774 -2.079 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -0.949 -7.071 -1.681 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -1.790 -6.473 -3.097 1.00 0.00 H new ATOM 0 HG2 GLU A 787 -0.184 -7.761 -4.539 1.00 0.00 H new ATOM 0 HG3 GLU A 787 0.539 -8.422 -3.086 1.00 0.00 H new ATOM 723 N HIS A 788 2.136 -5.849 -4.240 1.00 0.00 N ATOM 724 CA HIS A 788 2.879 -5.867 -5.495 1.00 0.00 C ATOM 725 C HIS A 788 2.713 -7.206 -6.207 1.00 0.00 C ATOM 726 O HIS A 788 1.979 -8.079 -5.744 1.00 0.00 O ATOM 727 CB HIS A 788 4.361 -5.593 -5.238 1.00 0.00 C ATOM 728 CG HIS A 788 5.047 -4.897 -6.374 1.00 0.00 C ATOM 729 ND1 HIS A 788 6.403 -4.994 -6.606 1.00 0.00 N ATOM 730 CD2 HIS A 788 4.557 -4.092 -7.345 1.00 0.00 C ATOM 731 CE1 HIS A 788 6.717 -4.277 -7.671 1.00 0.00 C ATOM 732 NE2 HIS A 788 5.614 -3.720 -8.138 1.00 0.00 N ATOM 0 H HIS A 788 2.706 -6.012 -3.410 1.00 0.00 H new ATOM 0 HA HIS A 788 2.478 -5.083 -6.137 1.00 0.00 H new ATOM 0 HB2 HIS A 788 4.459 -4.986 -4.338 1.00 0.00 H new ATOM 0 HB3 HIS A 788 4.868 -6.538 -5.042 1.00 0.00 H new ATOM 0 HD2 HIS A 788 3.526 -3.797 -7.472 1.00 0.00 H new ATOM 0 HE1 HIS A 788 7.707 -4.166 -8.088 1.00 0.00 H new ATOM 0 HE2 HIS A 788 5.557 -3.112 -8.955 1.00 0.00 H new ATOM 740 N ASN A 789 3.398 -7.360 -7.335 1.00 0.00 N ATOM 741 CA ASN A 789 3.325 -8.593 -8.111 1.00 0.00 C ATOM 742 C ASN A 789 3.978 -9.749 -7.359 1.00 0.00 C ATOM 743 O ASN A 789 5.048 -10.224 -7.737 1.00 0.00 O ATOM 744 CB ASN A 789 4.004 -8.406 -9.469 1.00 0.00 C ATOM 745 CG ASN A 789 3.420 -9.311 -10.537 1.00 0.00 C ATOM 746 OD1 ASN A 789 2.252 -9.182 -10.906 1.00 0.00 O ATOM 747 ND2 ASN A 789 4.232 -10.235 -11.038 1.00 0.00 N ATOM 0 H ASN A 789 4.010 -6.647 -7.732 1.00 0.00 H new ATOM 0 HA ASN A 789 2.273 -8.832 -8.267 1.00 0.00 H new ATOM 0 HB2 ASN A 789 3.903 -7.367 -9.782 1.00 0.00 H new ATOM 0 HB3 ASN A 789 5.071 -8.607 -9.370 1.00 0.00 H new ATOM 0 HD21 ASN A 789 3.895 -10.874 -11.758 1.00 0.00 H new ATOM 0 HD22 ASN A 789 5.193 -10.306 -10.702 1.00 0.00 H new ATOM 754 N GLY A 790 3.325 -10.197 -6.291 1.00 0.00 N ATOM 755 CA GLY A 790 3.856 -11.294 -5.503 1.00 0.00 C ATOM 756 C GLY A 790 4.259 -10.863 -4.106 1.00 0.00 C ATOM 757 O GLY A 790 4.497 -11.699 -3.236 1.00 0.00 O ATOM 0 H GLY A 790 2.438 -9.820 -5.957 1.00 0.00 H new ATOM 0 HA2 GLY A 790 3.108 -12.084 -5.435 1.00 0.00 H new ATOM 0 HA3 GLY A 790 4.721 -11.718 -6.013 1.00 0.00 H new ATOM 761 N MET A 791 4.336 -9.553 -3.893 1.00 0.00 N ATOM 762 CA MET A 791 4.714 -9.013 -2.592 1.00 0.00 C ATOM 763 C MET A 791 3.560 -8.229 -1.973 1.00 0.00 C ATOM 764 O MET A 791 2.607 -7.863 -2.661 1.00 0.00 O ATOM 765 CB MET A 791 5.943 -8.112 -2.727 1.00 0.00 C ATOM 766 CG MET A 791 7.207 -8.862 -3.113 1.00 0.00 C ATOM 767 SD MET A 791 7.265 -9.269 -4.869 1.00 0.00 S ATOM 768 CE MET A 791 7.887 -7.734 -5.552 1.00 0.00 C ATOM 0 H MET A 791 4.142 -8.847 -4.603 1.00 0.00 H new ATOM 0 HA MET A 791 4.956 -9.849 -1.936 1.00 0.00 H new ATOM 0 HB2 MET A 791 5.741 -7.346 -3.476 1.00 0.00 H new ATOM 0 HB3 MET A 791 6.111 -7.596 -1.782 1.00 0.00 H new ATOM 0 HG2 MET A 791 8.077 -8.257 -2.855 1.00 0.00 H new ATOM 0 HG3 MET A 791 7.273 -9.780 -2.529 1.00 0.00 H new ATOM 0 HE1 MET A 791 7.575 -7.646 -6.593 1.00 0.00 H new ATOM 0 HE2 MET A 791 7.490 -6.895 -4.981 1.00 0.00 H new ATOM 0 HE3 MET A 791 8.976 -7.727 -5.498 1.00 0.00 H new ATOM 778 N ARG A 792 3.653 -7.977 -0.672 1.00 0.00 N ATOM 779 CA ARG A 792 2.616 -7.239 0.039 1.00 0.00 C ATOM 780 C ARG A 792 3.219 -6.400 1.163 1.00 0.00 C ATOM 781 O ARG A 792 4.082 -6.867 1.905 1.00 0.00 O ATOM 782 CB ARG A 792 1.575 -8.202 0.610 1.00 0.00 C ATOM 783 CG ARG A 792 0.946 -9.109 -0.435 1.00 0.00 C ATOM 784 CD ARG A 792 0.094 -10.193 0.207 1.00 0.00 C ATOM 785 NE ARG A 792 -0.049 -11.360 -0.659 1.00 0.00 N ATOM 786 CZ ARG A 792 0.952 -12.178 -0.962 1.00 0.00 C ATOM 787 NH1 ARG A 792 2.164 -11.957 -0.472 1.00 0.00 N ATOM 788 NH2 ARG A 792 0.743 -13.220 -1.757 1.00 0.00 N ATOM 0 H ARG A 792 4.436 -8.273 -0.089 1.00 0.00 H new ATOM 0 HA ARG A 792 2.131 -6.569 -0.671 1.00 0.00 H new ATOM 0 HB2 ARG A 792 2.044 -8.817 1.378 1.00 0.00 H new ATOM 0 HB3 ARG A 792 0.789 -7.626 1.099 1.00 0.00 H new ATOM 0 HG2 ARG A 792 0.332 -8.515 -1.111 1.00 0.00 H new ATOM 0 HG3 ARG A 792 1.729 -9.569 -1.037 1.00 0.00 H new ATOM 0 HD2 ARG A 792 0.544 -10.496 1.152 1.00 0.00 H new ATOM 0 HD3 ARG A 792 -0.892 -9.790 0.438 1.00 0.00 H new ATOM 0 HE ARG A 792 -0.969 -11.558 -1.053 1.00 0.00 H new ATOM 0 HH11 ARG A 792 2.329 -11.157 0.139 1.00 0.00 H new ATOM 0 HH12 ARG A 792 2.931 -12.587 -0.706 1.00 0.00 H new ATOM 0 HH21 ARG A 792 -0.188 -13.393 -2.136 1.00 0.00 H new ATOM 0 HH22 ARG A 792 1.513 -13.847 -1.989 1.00 0.00 H new ATOM 802 N GLY A 793 2.758 -5.159 1.281 1.00 0.00 N ATOM 803 CA GLY A 793 3.263 -4.275 2.315 1.00 0.00 C ATOM 804 C GLY A 793 2.786 -2.847 2.141 1.00 0.00 C ATOM 805 O GLY A 793 1.857 -2.583 1.377 1.00 0.00 O ATOM 0 H GLY A 793 2.044 -4.750 0.679 1.00 0.00 H new ATOM 0 HA2 GLY A 793 2.947 -4.644 3.291 1.00 0.00 H new ATOM 0 HA3 GLY A 793 4.353 -4.295 2.305 1.00 0.00 H new ATOM 809 N LEU A 794 3.421 -1.922 2.853 1.00 0.00 N ATOM 810 CA LEU A 794 3.055 -0.512 2.776 1.00 0.00 C ATOM 811 C LEU A 794 3.539 0.105 1.468 1.00 0.00 C ATOM 812 O LEU A 794 4.321 -0.502 0.736 1.00 0.00 O ATOM 813 CB LEU A 794 3.642 0.254 3.963 1.00 0.00 C ATOM 814 CG LEU A 794 3.136 -0.161 5.345 1.00 0.00 C ATOM 815 CD1 LEU A 794 4.208 0.075 6.398 1.00 0.00 C ATOM 816 CD2 LEU A 794 1.864 0.597 5.697 1.00 0.00 C ATOM 0 H LEU A 794 4.192 -2.123 3.490 1.00 0.00 H new ATOM 0 HA LEU A 794 1.968 -0.442 2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 794 4.726 0.138 3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 794 3.433 1.315 3.825 1.00 0.00 H new ATOM 0 HG LEU A 794 2.906 -1.226 5.322 1.00 0.00 H new ATOM 0 HD11 LEU A 794 3.831 -0.226 7.375 1.00 0.00 H new ATOM 0 HD12 LEU A 794 5.093 -0.513 6.154 1.00 0.00 H new ATOM 0 HD13 LEU A 794 4.470 1.133 6.420 1.00 0.00 H new ATOM 0 HD21 LEU A 794 1.518 0.289 6.684 1.00 0.00 H new ATOM 0 HD22 LEU A 794 2.068 1.668 5.702 1.00 0.00 H new ATOM 0 HD23 LEU A 794 1.094 0.378 4.958 1.00 0.00 H new ATOM 828 N ILE A 795 3.072 1.316 1.182 1.00 0.00 N ATOM 829 CA ILE A 795 3.460 2.017 -0.036 1.00 0.00 C ATOM 830 C ILE A 795 3.646 3.508 0.224 1.00 0.00 C ATOM 831 O ILE A 795 2.803 4.167 0.832 1.00 0.00 O ATOM 832 CB ILE A 795 2.416 1.827 -1.152 1.00 0.00 C ATOM 833 CG1 ILE A 795 2.276 0.344 -1.502 1.00 0.00 C ATOM 834 CG2 ILE A 795 2.804 2.633 -2.382 1.00 0.00 C ATOM 835 CD1 ILE A 795 1.099 0.045 -2.404 1.00 0.00 C ATOM 0 H ILE A 795 2.424 1.832 1.777 1.00 0.00 H new ATOM 0 HA ILE A 795 4.407 1.586 -0.360 1.00 0.00 H new ATOM 0 HB ILE A 795 1.452 2.189 -0.794 1.00 0.00 H new ATOM 0 HG12 ILE A 795 3.191 0.006 -1.988 1.00 0.00 H new ATOM 0 HG13 ILE A 795 2.173 -0.230 -0.581 1.00 0.00 H new ATOM 0 HG21 ILE A 795 2.057 2.489 -3.162 1.00 0.00 H new ATOM 0 HG22 ILE A 795 2.858 3.690 -2.122 1.00 0.00 H new ATOM 0 HG23 ILE A 795 3.776 2.299 -2.744 1.00 0.00 H new ATOM 0 HD11 ILE A 795 1.061 -1.025 -2.611 1.00 0.00 H new ATOM 0 HD12 ILE A 795 0.176 0.352 -1.912 1.00 0.00 H new ATOM 0 HD13 ILE A 795 1.210 0.592 -3.340 1.00 0.00 H new ATOM 847 N PRO A 796 4.775 4.055 -0.250 1.00 0.00 N ATOM 848 CA PRO A 796 5.097 5.475 -0.084 1.00 0.00 C ATOM 849 C PRO A 796 4.194 6.376 -0.920 1.00 0.00 C ATOM 850 O PRO A 796 4.086 6.207 -2.135 1.00 0.00 O ATOM 851 CB PRO A 796 6.545 5.570 -0.571 1.00 0.00 C ATOM 852 CG PRO A 796 6.703 4.428 -1.515 1.00 0.00 C ATOM 853 CD PRO A 796 5.824 3.329 -0.985 1.00 0.00 C ATOM 0 HA PRO A 796 4.956 5.807 0.945 1.00 0.00 H new ATOM 0 HB2 PRO A 796 6.734 6.522 -1.066 1.00 0.00 H new ATOM 0 HB3 PRO A 796 7.247 5.497 0.259 1.00 0.00 H new ATOM 0 HG2 PRO A 796 6.407 4.712 -2.525 1.00 0.00 H new ATOM 0 HG3 PRO A 796 7.743 4.105 -1.567 1.00 0.00 H new ATOM 0 HD2 PRO A 796 5.406 2.725 -1.790 1.00 0.00 H new ATOM 0 HD3 PRO A 796 6.376 2.652 -0.333 1.00 0.00 H new ATOM 861 N HIS A 797 3.548 7.333 -0.262 1.00 0.00 N ATOM 862 CA HIS A 797 2.655 8.262 -0.946 1.00 0.00 C ATOM 863 C HIS A 797 3.449 9.298 -1.735 1.00 0.00 C ATOM 864 O HIS A 797 2.996 9.787 -2.770 1.00 0.00 O ATOM 865 CB HIS A 797 1.743 8.961 0.063 1.00 0.00 C ATOM 866 CG HIS A 797 0.817 9.960 -0.560 1.00 0.00 C ATOM 867 ND1 HIS A 797 -0.395 9.616 -1.120 1.00 0.00 N ATOM 868 CD2 HIS A 797 0.930 11.301 -0.706 1.00 0.00 C ATOM 869 CE1 HIS A 797 -0.986 10.701 -1.586 1.00 0.00 C ATOM 870 NE2 HIS A 797 -0.203 11.738 -1.347 1.00 0.00 N ATOM 0 H HIS A 797 3.626 7.486 0.743 1.00 0.00 H new ATOM 0 HA HIS A 797 2.043 7.691 -1.644 1.00 0.00 H new ATOM 0 HB2 HIS A 797 1.154 8.210 0.589 1.00 0.00 H new ATOM 0 HB3 HIS A 797 2.358 9.464 0.809 1.00 0.00 H new ATOM 0 HD1 HIS A 797 -0.776 8.671 -1.167 1.00 0.00 H new ATOM 0 HD2 HIS A 797 1.757 11.913 -0.379 1.00 0.00 H new ATOM 0 HE1 HIS A 797 -1.946 10.735 -2.079 1.00 0.00 H new ATOM 878 N LYS A 798 4.637 9.629 -1.240 1.00 0.00 N ATOM 879 CA LYS A 798 5.495 10.607 -1.898 1.00 0.00 C ATOM 880 C LYS A 798 6.090 10.032 -3.180 1.00 0.00 C ATOM 881 O LYS A 798 6.871 10.694 -3.864 1.00 0.00 O ATOM 882 CB LYS A 798 6.617 11.047 -0.956 1.00 0.00 C ATOM 883 CG LYS A 798 6.242 10.971 0.514 1.00 0.00 C ATOM 884 CD LYS A 798 6.977 12.019 1.333 1.00 0.00 C ATOM 885 CE LYS A 798 8.450 11.672 1.490 1.00 0.00 C ATOM 886 NZ LYS A 798 9.241 12.059 0.289 1.00 0.00 N ATOM 0 H LYS A 798 5.028 9.234 -0.385 1.00 0.00 H new ATOM 0 HA LYS A 798 4.886 11.473 -2.157 1.00 0.00 H new ATOM 0 HB2 LYS A 798 7.493 10.423 -1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 798 6.902 12.071 -1.197 1.00 0.00 H new ATOM 0 HG2 LYS A 798 5.167 11.111 0.624 1.00 0.00 H new ATOM 0 HG3 LYS A 798 6.475 9.978 0.899 1.00 0.00 H new ATOM 0 HD2 LYS A 798 6.881 12.992 0.851 1.00 0.00 H new ATOM 0 HD3 LYS A 798 6.515 12.103 2.317 1.00 0.00 H new ATOM 0 HE2 LYS A 798 8.851 12.178 2.368 1.00 0.00 H new ATOM 0 HE3 LYS A 798 8.554 10.601 1.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 798 10.187 12.374 0.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 798 9.331 11.240 -0.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 798 8.758 12.833 -0.210 1.00 0.00 H new ATOM 900 N TYR A 799 5.715 8.799 -3.500 1.00 0.00 N ATOM 901 CA TYR A 799 6.213 8.136 -4.699 1.00 0.00 C ATOM 902 C TYR A 799 5.062 7.577 -5.530 1.00 0.00 C ATOM 903 O TYR A 799 5.188 6.525 -6.158 1.00 0.00 O ATOM 904 CB TYR A 799 7.178 7.010 -4.322 1.00 0.00 C ATOM 905 CG TYR A 799 8.461 7.499 -3.689 1.00 0.00 C ATOM 906 CD1 TYR A 799 8.448 8.150 -2.461 1.00 0.00 C ATOM 907 CD2 TYR A 799 9.685 7.312 -4.319 1.00 0.00 C ATOM 908 CE1 TYR A 799 9.618 8.599 -1.879 1.00 0.00 C ATOM 909 CE2 TYR A 799 10.859 7.756 -3.743 1.00 0.00 C ATOM 910 CZ TYR A 799 10.821 8.399 -2.524 1.00 0.00 C ATOM 911 OH TYR A 799 11.988 8.845 -1.948 1.00 0.00 O ATOM 0 H TYR A 799 5.068 8.238 -2.946 1.00 0.00 H new ATOM 0 HA TYR A 799 6.745 8.876 -5.298 1.00 0.00 H new ATOM 0 HB2 TYR A 799 6.678 6.330 -3.632 1.00 0.00 H new ATOM 0 HB3 TYR A 799 7.420 6.435 -5.216 1.00 0.00 H new ATOM 0 HD1 TYR A 799 7.508 8.307 -1.953 1.00 0.00 H new ATOM 0 HD2 TYR A 799 9.719 6.811 -5.275 1.00 0.00 H new ATOM 0 HE1 TYR A 799 9.591 9.104 -0.925 1.00 0.00 H new ATOM 0 HE2 TYR A 799 11.802 7.600 -4.245 1.00 0.00 H new ATOM 0 HH TYR A 799 12.745 8.624 -2.530 1.00 0.00 H new ATOM 921 N ILE A 800 3.940 8.288 -5.528 1.00 0.00 N ATOM 922 CA ILE A 800 2.766 7.866 -6.283 1.00 0.00 C ATOM 923 C ILE A 800 1.895 9.059 -6.658 1.00 0.00 C ATOM 924 O ILE A 800 2.197 10.199 -6.304 1.00 0.00 O ATOM 925 CB ILE A 800 1.919 6.856 -5.486 1.00 0.00 C ATOM 926 CG1 ILE A 800 1.712 7.349 -4.053 1.00 0.00 C ATOM 927 CG2 ILE A 800 2.583 5.487 -5.491 1.00 0.00 C ATOM 928 CD1 ILE A 800 0.509 6.736 -3.370 1.00 0.00 C ATOM 0 H ILE A 800 3.819 9.159 -5.012 1.00 0.00 H new ATOM 0 HA ILE A 800 3.130 7.386 -7.192 1.00 0.00 H new ATOM 0 HB ILE A 800 0.943 6.766 -5.963 1.00 0.00 H new ATOM 0 HG12 ILE A 800 2.604 7.126 -3.468 1.00 0.00 H new ATOM 0 HG13 ILE A 800 1.600 8.433 -4.063 1.00 0.00 H new ATOM 0 HG21 ILE A 800 1.972 4.784 -4.924 1.00 0.00 H new ATOM 0 HG22 ILE A 800 2.683 5.135 -6.518 1.00 0.00 H new ATOM 0 HG23 ILE A 800 3.570 5.560 -5.035 1.00 0.00 H new ATOM 0 HD11 ILE A 800 0.424 7.132 -2.358 1.00 0.00 H new ATOM 0 HD12 ILE A 800 -0.392 6.981 -3.932 1.00 0.00 H new ATOM 0 HD13 ILE A 800 0.627 5.653 -3.328 1.00 0.00 H new ATOM 940 N THR A 801 0.809 8.790 -7.377 1.00 0.00 N ATOM 941 CA THR A 801 -0.108 9.840 -7.800 1.00 0.00 C ATOM 942 C THR A 801 -1.526 9.304 -7.952 1.00 0.00 C ATOM 943 O THR A 801 -1.837 8.606 -8.919 1.00 0.00 O ATOM 944 CB THR A 801 0.337 10.470 -9.133 1.00 0.00 C ATOM 945 OG1 THR A 801 1.632 11.062 -8.988 1.00 0.00 O ATOM 946 CG2 THR A 801 -0.659 11.525 -9.592 1.00 0.00 C ATOM 0 H THR A 801 0.544 7.852 -7.678 1.00 0.00 H new ATOM 0 HA THR A 801 -0.094 10.604 -7.023 1.00 0.00 H new ATOM 0 HB THR A 801 0.381 9.682 -9.884 1.00 0.00 H new ATOM 0 HG1 THR A 801 1.908 11.459 -9.841 1.00 0.00 H new ATOM 0 HG21 THR A 801 -0.324 11.956 -10.535 1.00 0.00 H new ATOM 0 HG22 THR A 801 -1.638 11.066 -9.731 1.00 0.00 H new ATOM 0 HG23 THR A 801 -0.730 12.310 -8.839 1.00 0.00 H new ATOM 954 N LEU A 802 -2.385 9.634 -6.994 1.00 0.00 N ATOM 955 CA LEU A 802 -3.773 9.185 -7.022 1.00 0.00 C ATOM 956 C LEU A 802 -4.482 9.687 -8.276 1.00 0.00 C ATOM 957 O LEU A 802 -4.077 10.671 -8.896 1.00 0.00 O ATOM 958 CB LEU A 802 -4.512 9.672 -5.775 1.00 0.00 C ATOM 959 CG LEU A 802 -4.286 8.858 -4.500 1.00 0.00 C ATOM 960 CD1 LEU A 802 -3.103 9.408 -3.718 1.00 0.00 C ATOM 961 CD2 LEU A 802 -5.541 8.855 -3.639 1.00 0.00 C ATOM 0 H LEU A 802 -2.145 10.211 -6.188 1.00 0.00 H new ATOM 0 HA LEU A 802 -3.777 8.095 -7.036 1.00 0.00 H new ATOM 0 HB2 LEU A 802 -4.216 10.703 -5.581 1.00 0.00 H new ATOM 0 HB3 LEU A 802 -5.580 9.682 -5.991 1.00 0.00 H new ATOM 0 HG LEU A 802 -4.062 7.830 -4.784 1.00 0.00 H new ATOM 0 HD11 LEU A 802 -2.958 8.816 -2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 802 -2.205 9.357 -4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 802 -3.298 10.445 -3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 802 -5.362 8.271 -2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 802 -5.796 9.878 -3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 802 -6.365 8.413 -4.199 1.00 0.00 H new ATOM 973 N PRO A 803 -5.568 8.999 -8.657 1.00 0.00 N ATOM 974 CA PRO A 803 -6.358 9.358 -9.839 1.00 0.00 C ATOM 975 C PRO A 803 -7.130 10.659 -9.646 1.00 0.00 C ATOM 976 O PRO A 803 -7.284 11.140 -8.523 1.00 0.00 O ATOM 977 CB PRO A 803 -7.324 8.181 -9.991 1.00 0.00 C ATOM 978 CG PRO A 803 -7.446 7.611 -8.619 1.00 0.00 C ATOM 979 CD PRO A 803 -6.108 7.817 -7.965 1.00 0.00 C ATOM 0 HA PRO A 803 -5.730 9.527 -10.714 1.00 0.00 H new ATOM 0 HB2 PRO A 803 -8.292 8.509 -10.371 1.00 0.00 H new ATOM 0 HB3 PRO A 803 -6.940 7.442 -10.694 1.00 0.00 H new ATOM 0 HG2 PRO A 803 -8.236 8.110 -8.058 1.00 0.00 H new ATOM 0 HG3 PRO A 803 -7.703 6.552 -8.658 1.00 0.00 H new ATOM 0 HD2 PRO A 803 -6.207 7.989 -6.893 1.00 0.00 H new ATOM 0 HD3 PRO A 803 -5.462 6.948 -8.090 1.00 0.00 H new