USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=11 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 754 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 801 THR OG1 : rot 180:sc= 0 USER MOD Single : A 757 TYR OH : rot 167:sc= 0.9 USER MOD Single : A 758 THR OG1 : rot 180:sc= 0 USER MOD Single : A 761 THR OG1 : rot 180:sc= -0.827 USER MOD Single : A 763 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 766 SER OG : rot 28:sc= 0.247 USER MOD Single : A 776 HIS : no HE2:sc= -3.86! K(o=-3.9!,f=-1.6) USER MOD Single : A 780 SER OG : rot 180:sc= 0.00284 USER MOD Single : A 781 SER OG : rot 180:sc= 0 USER MOD Single : A 788 HIS : no HE2:sc= -3.28! K(o=-3.3!,f=-1.5) USER MOD Single : A 789 ASN : amide:sc= -0.0204 K(o=-0.02,f=-1.1) USER MOD Single : A 791 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 797 HIS : no HD1:sc= -2.63! C(o=-2.6!,f=-7.5!) USER MOD Single : A 798 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 799 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 104 N VAL A 749 -8.347 1.557 -4.908 1.00 0.00 N ATOM 105 CA VAL A 749 -7.750 2.710 -5.572 1.00 0.00 C ATOM 106 C VAL A 749 -6.385 2.363 -6.154 1.00 0.00 C ATOM 107 O VAL A 749 -5.425 2.137 -5.417 1.00 0.00 O ATOM 108 CB VAL A 749 -7.597 3.897 -4.603 1.00 0.00 C ATOM 109 CG1 VAL A 749 -6.869 5.048 -5.281 1.00 0.00 C ATOM 110 CG2 VAL A 749 -8.958 4.345 -4.090 1.00 0.00 C ATOM 0 HA VAL A 749 -8.424 2.995 -6.380 1.00 0.00 H new ATOM 0 HB VAL A 749 -7.001 3.573 -3.750 1.00 0.00 H new ATOM 0 HG11 VAL A 749 -6.770 5.878 -4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 749 -5.879 4.718 -5.595 1.00 0.00 H new ATOM 0 HG13 VAL A 749 -7.436 5.374 -6.153 1.00 0.00 H new ATOM 0 HG21 VAL A 749 -8.831 5.185 -3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 749 -9.580 4.652 -4.930 1.00 0.00 H new ATOM 0 HG23 VAL A 749 -9.439 3.519 -3.565 1.00 0.00 H new ATOM 120 N GLU A 750 -6.305 2.324 -7.480 1.00 0.00 N ATOM 121 CA GLU A 750 -5.056 2.004 -8.161 1.00 0.00 C ATOM 122 C GLU A 750 -4.211 3.258 -8.365 1.00 0.00 C ATOM 123 O GLU A 750 -4.650 4.220 -8.995 1.00 0.00 O ATOM 124 CB GLU A 750 -5.340 1.342 -9.511 1.00 0.00 C ATOM 125 CG GLU A 750 -5.535 -0.162 -9.422 1.00 0.00 C ATOM 126 CD GLU A 750 -6.182 -0.741 -10.665 1.00 0.00 C ATOM 127 OE1 GLU A 750 -5.885 -0.247 -11.773 1.00 0.00 O ATOM 128 OE2 GLU A 750 -6.986 -1.687 -10.530 1.00 0.00 O ATOM 0 H GLU A 750 -7.090 2.510 -8.104 1.00 0.00 H new ATOM 0 HA GLU A 750 -4.498 1.309 -7.534 1.00 0.00 H new ATOM 0 HB2 GLU A 750 -6.233 1.791 -9.945 1.00 0.00 H new ATOM 0 HB3 GLU A 750 -4.514 1.553 -10.191 1.00 0.00 H new ATOM 0 HG2 GLU A 750 -4.569 -0.641 -9.263 1.00 0.00 H new ATOM 0 HG3 GLU A 750 -6.152 -0.394 -8.554 1.00 0.00 H new ATOM 135 N ALA A 751 -2.996 3.240 -7.826 1.00 0.00 N ATOM 136 CA ALA A 751 -2.089 4.375 -7.950 1.00 0.00 C ATOM 137 C ALA A 751 -0.880 4.020 -8.809 1.00 0.00 C ATOM 138 O ALA A 751 -0.518 2.850 -8.936 1.00 0.00 O ATOM 139 CB ALA A 751 -1.641 4.844 -6.574 1.00 0.00 C ATOM 0 H ALA A 751 -2.617 2.453 -7.300 1.00 0.00 H new ATOM 0 HA ALA A 751 -2.626 5.186 -8.442 1.00 0.00 H new ATOM 0 HB1 ALA A 751 -0.964 5.692 -6.681 1.00 0.00 H new ATOM 0 HB2 ALA A 751 -2.511 5.146 -5.991 1.00 0.00 H new ATOM 0 HB3 ALA A 751 -1.126 4.031 -6.062 1.00 0.00 H new ATOM 145 N VAL A 752 -0.261 5.037 -9.400 1.00 0.00 N ATOM 146 CA VAL A 752 0.907 4.832 -10.248 1.00 0.00 C ATOM 147 C VAL A 752 2.180 5.306 -9.554 1.00 0.00 C ATOM 148 O VAL A 752 2.190 6.347 -8.898 1.00 0.00 O ATOM 149 CB VAL A 752 0.762 5.571 -11.591 1.00 0.00 C ATOM 150 CG1 VAL A 752 2.024 5.414 -12.427 1.00 0.00 C ATOM 151 CG2 VAL A 752 -0.456 5.064 -12.349 1.00 0.00 C ATOM 0 H VAL A 752 -0.549 6.011 -9.307 1.00 0.00 H new ATOM 0 HA VAL A 752 0.977 3.761 -10.437 1.00 0.00 H new ATOM 0 HB VAL A 752 0.620 6.632 -11.388 1.00 0.00 H new ATOM 0 HG11 VAL A 752 1.902 5.943 -13.372 1.00 0.00 H new ATOM 0 HG12 VAL A 752 2.873 5.830 -11.885 1.00 0.00 H new ATOM 0 HG13 VAL A 752 2.201 4.357 -12.623 1.00 0.00 H new ATOM 0 HG21 VAL A 752 -0.543 5.597 -13.296 1.00 0.00 H new ATOM 0 HG22 VAL A 752 -0.346 3.997 -12.542 1.00 0.00 H new ATOM 0 HG23 VAL A 752 -1.352 5.234 -11.753 1.00 0.00 H new ATOM 161 N ALA A 753 3.251 4.535 -9.705 1.00 0.00 N ATOM 162 CA ALA A 753 4.531 4.877 -9.095 1.00 0.00 C ATOM 163 C ALA A 753 5.218 6.005 -9.858 1.00 0.00 C ATOM 164 O ALA A 753 5.859 5.773 -10.883 1.00 0.00 O ATOM 165 CB ALA A 753 5.431 3.653 -9.035 1.00 0.00 C ATOM 0 H ALA A 753 3.259 3.669 -10.244 1.00 0.00 H new ATOM 0 HA ALA A 753 4.341 5.224 -8.079 1.00 0.00 H new ATOM 0 HB1 ALA A 753 6.383 3.923 -8.577 1.00 0.00 H new ATOM 0 HB2 ALA A 753 4.950 2.876 -8.440 1.00 0.00 H new ATOM 0 HB3 ALA A 753 5.606 3.281 -10.044 1.00 0.00 H new ATOM 171 N CYS A 754 5.079 7.225 -9.352 1.00 0.00 N ATOM 172 CA CYS A 754 5.686 8.390 -9.987 1.00 0.00 C ATOM 173 C CYS A 754 7.206 8.267 -10.009 1.00 0.00 C ATOM 174 O CYS A 754 7.859 8.674 -10.970 1.00 0.00 O ATOM 175 CB CYS A 754 5.276 9.668 -9.253 1.00 0.00 C ATOM 176 SG CYS A 754 5.228 11.139 -10.304 1.00 0.00 S ATOM 0 H CYS A 754 4.552 7.434 -8.504 1.00 0.00 H new ATOM 0 HA CYS A 754 5.329 8.440 -11.016 1.00 0.00 H new ATOM 0 HB2 CYS A 754 4.292 9.519 -8.809 1.00 0.00 H new ATOM 0 HB3 CYS A 754 5.973 9.843 -8.433 1.00 0.00 H new ATOM 0 HG CYS A 754 4.869 12.168 -9.595 1.00 0.00 H new ATOM 182 N PHE A 755 7.764 7.703 -8.943 1.00 0.00 N ATOM 183 CA PHE A 755 9.208 7.529 -8.838 1.00 0.00 C ATOM 184 C PHE A 755 9.553 6.117 -8.374 1.00 0.00 C ATOM 185 O PHE A 755 8.784 5.484 -7.651 1.00 0.00 O ATOM 186 CB PHE A 755 9.799 8.555 -7.869 1.00 0.00 C ATOM 187 CG PHE A 755 9.533 9.978 -8.268 1.00 0.00 C ATOM 188 CD1 PHE A 755 10.193 10.544 -9.348 1.00 0.00 C ATOM 189 CD2 PHE A 755 8.623 10.751 -7.565 1.00 0.00 C ATOM 190 CE1 PHE A 755 9.951 11.853 -9.717 1.00 0.00 C ATOM 191 CE2 PHE A 755 8.377 12.061 -7.929 1.00 0.00 C ATOM 192 CZ PHE A 755 9.041 12.613 -9.007 1.00 0.00 C ATOM 0 H PHE A 755 7.238 7.359 -8.140 1.00 0.00 H new ATOM 0 HA PHE A 755 9.640 7.684 -9.827 1.00 0.00 H new ATOM 0 HB2 PHE A 755 9.388 8.382 -6.874 1.00 0.00 H new ATOM 0 HB3 PHE A 755 10.876 8.400 -7.801 1.00 0.00 H new ATOM 0 HD1 PHE A 755 10.905 9.955 -9.907 1.00 0.00 H new ATOM 0 HD2 PHE A 755 8.100 10.324 -6.722 1.00 0.00 H new ATOM 0 HE1 PHE A 755 10.473 12.282 -10.560 1.00 0.00 H new ATOM 0 HE2 PHE A 755 7.666 12.653 -7.371 1.00 0.00 H new ATOM 0 HZ PHE A 755 8.849 13.636 -9.294 1.00 0.00 H new ATOM 202 N ALA A 756 10.715 5.629 -8.796 1.00 0.00 N ATOM 203 CA ALA A 756 11.164 4.293 -8.423 1.00 0.00 C ATOM 204 C ALA A 756 11.613 4.252 -6.966 1.00 0.00 C ATOM 205 O ALA A 756 12.439 5.058 -6.538 1.00 0.00 O ATOM 206 CB ALA A 756 12.292 3.840 -9.338 1.00 0.00 C ATOM 0 H ALA A 756 11.363 6.139 -9.397 1.00 0.00 H new ATOM 0 HA ALA A 756 10.323 3.609 -8.536 1.00 0.00 H new ATOM 0 HB1 ALA A 756 12.617 2.841 -9.048 1.00 0.00 H new ATOM 0 HB2 ALA A 756 11.939 3.821 -10.369 1.00 0.00 H new ATOM 0 HB3 ALA A 756 13.129 4.533 -9.254 1.00 0.00 H new ATOM 212 N TYR A 757 11.064 3.308 -6.209 1.00 0.00 N ATOM 213 CA TYR A 757 11.406 3.164 -4.799 1.00 0.00 C ATOM 214 C TYR A 757 11.860 1.740 -4.491 1.00 0.00 C ATOM 215 O TYR A 757 11.421 0.783 -5.131 1.00 0.00 O ATOM 216 CB TYR A 757 10.208 3.530 -3.922 1.00 0.00 C ATOM 217 CG TYR A 757 10.562 3.731 -2.466 1.00 0.00 C ATOM 218 CD1 TYR A 757 11.030 4.956 -2.007 1.00 0.00 C ATOM 219 CD2 TYR A 757 10.431 2.695 -1.549 1.00 0.00 C ATOM 220 CE1 TYR A 757 11.356 5.144 -0.677 1.00 0.00 C ATOM 221 CE2 TYR A 757 10.752 2.874 -0.218 1.00 0.00 C ATOM 222 CZ TYR A 757 11.215 4.100 0.213 1.00 0.00 C ATOM 223 OH TYR A 757 11.538 4.282 1.538 1.00 0.00 O ATOM 0 H TYR A 757 10.380 2.631 -6.548 1.00 0.00 H new ATOM 0 HA TYR A 757 12.229 3.844 -4.580 1.00 0.00 H new ATOM 0 HB2 TYR A 757 9.753 4.443 -4.306 1.00 0.00 H new ATOM 0 HB3 TYR A 757 9.458 2.743 -3.999 1.00 0.00 H new ATOM 0 HD1 TYR A 757 11.141 5.776 -2.701 1.00 0.00 H new ATOM 0 HD2 TYR A 757 10.072 1.733 -1.883 1.00 0.00 H new ATOM 0 HE1 TYR A 757 11.719 6.103 -0.337 1.00 0.00 H new ATOM 0 HE2 TYR A 757 10.641 2.059 0.482 1.00 0.00 H new ATOM 0 HH TYR A 757 11.198 3.528 2.064 1.00 0.00 H new ATOM 233 N THR A 758 12.742 1.607 -3.505 1.00 0.00 N ATOM 234 CA THR A 758 13.256 0.301 -3.111 1.00 0.00 C ATOM 235 C THR A 758 13.074 0.067 -1.616 1.00 0.00 C ATOM 236 O THR A 758 13.934 0.424 -0.812 1.00 0.00 O ATOM 237 CB THR A 758 14.749 0.156 -3.464 1.00 0.00 C ATOM 238 OG1 THR A 758 14.929 0.248 -4.881 1.00 0.00 O ATOM 239 CG2 THR A 758 15.296 -1.172 -2.963 1.00 0.00 C ATOM 0 H THR A 758 13.115 2.388 -2.965 1.00 0.00 H new ATOM 0 HA THR A 758 12.685 -0.444 -3.665 1.00 0.00 H new ATOM 0 HB THR A 758 15.295 0.963 -2.976 1.00 0.00 H new ATOM 0 HG1 THR A 758 15.881 0.157 -5.096 1.00 0.00 H new ATOM 0 HG21 THR A 758 16.351 -1.252 -3.224 1.00 0.00 H new ATOM 0 HG22 THR A 758 15.184 -1.226 -1.880 1.00 0.00 H new ATOM 0 HG23 THR A 758 14.745 -1.990 -3.426 1.00 0.00 H new ATOM 247 N GLY A 759 11.947 -0.537 -1.250 1.00 0.00 N ATOM 248 CA GLY A 759 11.673 -0.809 0.149 1.00 0.00 C ATOM 249 C GLY A 759 12.921 -1.188 0.922 1.00 0.00 C ATOM 250 O GLY A 759 13.761 -1.940 0.427 1.00 0.00 O ATOM 0 H GLY A 759 11.220 -0.842 -1.897 1.00 0.00 H new ATOM 0 HA2 GLY A 759 11.220 0.071 0.605 1.00 0.00 H new ATOM 0 HA3 GLY A 759 10.944 -1.616 0.223 1.00 0.00 H new ATOM 254 N ARG A 760 13.044 -0.665 2.137 1.00 0.00 N ATOM 255 CA ARG A 760 14.201 -0.950 2.978 1.00 0.00 C ATOM 256 C ARG A 760 14.032 -2.284 3.700 1.00 0.00 C ATOM 257 O ARG A 760 15.006 -2.994 3.950 1.00 0.00 O ATOM 258 CB ARG A 760 14.405 0.172 3.998 1.00 0.00 C ATOM 259 CG ARG A 760 15.061 1.413 3.416 1.00 0.00 C ATOM 260 CD ARG A 760 14.101 2.183 2.523 1.00 0.00 C ATOM 261 NE ARG A 760 14.775 3.251 1.788 1.00 0.00 N ATOM 262 CZ ARG A 760 15.233 4.360 2.359 1.00 0.00 C ATOM 263 NH1 ARG A 760 15.092 4.545 3.664 1.00 0.00 N ATOM 264 NH2 ARG A 760 15.835 5.286 1.623 1.00 0.00 N ATOM 0 H ARG A 760 12.357 -0.042 2.561 1.00 0.00 H new ATOM 0 HA ARG A 760 15.080 -1.012 2.336 1.00 0.00 H new ATOM 0 HB2 ARG A 760 13.439 0.447 4.421 1.00 0.00 H new ATOM 0 HB3 ARG A 760 15.018 -0.202 4.818 1.00 0.00 H new ATOM 0 HG2 ARG A 760 15.404 2.058 4.225 1.00 0.00 H new ATOM 0 HG3 ARG A 760 15.942 1.125 2.842 1.00 0.00 H new ATOM 0 HD2 ARG A 760 13.633 1.497 1.817 1.00 0.00 H new ATOM 0 HD3 ARG A 760 13.303 2.609 3.131 1.00 0.00 H new ATOM 0 HE ARG A 760 14.901 3.139 0.782 1.00 0.00 H new ATOM 0 HH11 ARG A 760 14.631 3.835 4.233 1.00 0.00 H new ATOM 0 HH12 ARG A 760 15.445 5.397 4.099 1.00 0.00 H new ATOM 0 HH21 ARG A 760 15.946 5.146 0.619 1.00 0.00 H new ATOM 0 HH22 ARG A 760 16.186 6.137 2.062 1.00 0.00 H new ATOM 278 N THR A 761 12.789 -2.618 4.033 1.00 0.00 N ATOM 279 CA THR A 761 12.493 -3.865 4.726 1.00 0.00 C ATOM 280 C THR A 761 11.168 -4.454 4.257 1.00 0.00 C ATOM 281 O THR A 761 10.478 -3.869 3.422 1.00 0.00 O ATOM 282 CB THR A 761 12.438 -3.659 6.252 1.00 0.00 C ATOM 283 OG1 THR A 761 11.436 -2.690 6.580 1.00 0.00 O ATOM 284 CG2 THR A 761 13.787 -3.202 6.785 1.00 0.00 C ATOM 0 H THR A 761 11.971 -2.042 3.834 1.00 0.00 H new ATOM 0 HA THR A 761 13.300 -4.558 4.488 1.00 0.00 H new ATOM 0 HB THR A 761 12.186 -4.612 6.716 1.00 0.00 H new ATOM 0 HG1 THR A 761 11.406 -2.566 7.552 1.00 0.00 H new ATOM 0 HG21 THR A 761 13.724 -3.063 7.864 1.00 0.00 H new ATOM 0 HG22 THR A 761 14.542 -3.956 6.560 1.00 0.00 H new ATOM 0 HG23 THR A 761 14.064 -2.259 6.314 1.00 0.00 H new ATOM 292 N ALA A 762 10.817 -5.616 4.798 1.00 0.00 N ATOM 293 CA ALA A 762 9.573 -6.283 4.436 1.00 0.00 C ATOM 294 C ALA A 762 8.398 -5.313 4.477 1.00 0.00 C ATOM 295 O ALA A 762 7.663 -5.172 3.499 1.00 0.00 O ATOM 296 CB ALA A 762 9.318 -7.463 5.361 1.00 0.00 C ATOM 0 H ALA A 762 11.377 -6.115 5.489 1.00 0.00 H new ATOM 0 HA ALA A 762 9.671 -6.651 3.415 1.00 0.00 H new ATOM 0 HB1 ALA A 762 8.385 -7.952 5.079 1.00 0.00 H new ATOM 0 HB2 ALA A 762 10.140 -8.174 5.278 1.00 0.00 H new ATOM 0 HB3 ALA A 762 9.246 -7.110 6.390 1.00 0.00 H new ATOM 302 N GLN A 763 8.225 -4.647 5.614 1.00 0.00 N ATOM 303 CA GLN A 763 7.138 -3.690 5.782 1.00 0.00 C ATOM 304 C GLN A 763 6.973 -2.829 4.534 1.00 0.00 C ATOM 305 O GLN A 763 5.854 -2.560 4.098 1.00 0.00 O ATOM 306 CB GLN A 763 7.395 -2.801 6.999 1.00 0.00 C ATOM 307 CG GLN A 763 8.418 -1.705 6.746 1.00 0.00 C ATOM 308 CD GLN A 763 8.895 -1.045 8.025 1.00 0.00 C ATOM 309 OE1 GLN A 763 9.300 -1.720 8.972 1.00 0.00 O ATOM 310 NE2 GLN A 763 8.850 0.282 8.059 1.00 0.00 N ATOM 0 H GLN A 763 8.824 -4.753 6.433 1.00 0.00 H new ATOM 0 HA GLN A 763 6.216 -4.250 5.939 1.00 0.00 H new ATOM 0 HB2 GLN A 763 6.455 -2.345 7.310 1.00 0.00 H new ATOM 0 HB3 GLN A 763 7.737 -3.422 7.827 1.00 0.00 H new ATOM 0 HG2 GLN A 763 9.274 -2.127 6.218 1.00 0.00 H new ATOM 0 HG3 GLN A 763 7.981 -0.950 6.093 1.00 0.00 H new ATOM 0 HE21 GLN A 763 8.507 0.802 7.251 1.00 0.00 H new ATOM 0 HE22 GLN A 763 9.159 0.782 8.893 1.00 0.00 H new ATOM 319 N GLU A 764 8.095 -2.400 3.964 1.00 0.00 N ATOM 320 CA GLU A 764 8.073 -1.569 2.766 1.00 0.00 C ATOM 321 C GLU A 764 8.167 -2.425 1.507 1.00 0.00 C ATOM 322 O GLU A 764 8.790 -3.488 1.510 1.00 0.00 O ATOM 323 CB GLU A 764 9.224 -0.561 2.798 1.00 0.00 C ATOM 324 CG GLU A 764 9.175 0.382 3.989 1.00 0.00 C ATOM 325 CD GLU A 764 10.118 1.560 3.840 1.00 0.00 C ATOM 326 OE1 GLU A 764 10.408 1.944 2.687 1.00 0.00 O ATOM 327 OE2 GLU A 764 10.566 2.097 4.874 1.00 0.00 O ATOM 0 H GLU A 764 9.030 -2.614 4.312 1.00 0.00 H new ATOM 0 HA GLU A 764 7.126 -1.029 2.746 1.00 0.00 H new ATOM 0 HB2 GLU A 764 10.170 -1.103 2.813 1.00 0.00 H new ATOM 0 HB3 GLU A 764 9.207 0.026 1.880 1.00 0.00 H new ATOM 0 HG2 GLU A 764 8.157 0.750 4.114 1.00 0.00 H new ATOM 0 HG3 GLU A 764 9.428 -0.169 4.895 1.00 0.00 H new ATOM 334 N LEU A 765 7.544 -1.956 0.432 1.00 0.00 N ATOM 335 CA LEU A 765 7.557 -2.678 -0.836 1.00 0.00 C ATOM 336 C LEU A 765 8.541 -2.045 -1.814 1.00 0.00 C ATOM 337 O LEU A 765 9.055 -0.953 -1.573 1.00 0.00 O ATOM 338 CB LEU A 765 6.155 -2.700 -1.447 1.00 0.00 C ATOM 339 CG LEU A 765 5.167 -3.689 -0.826 1.00 0.00 C ATOM 340 CD1 LEU A 765 3.747 -3.377 -1.274 1.00 0.00 C ATOM 341 CD2 LEU A 765 5.542 -5.117 -1.193 1.00 0.00 C ATOM 0 H LEU A 765 7.023 -1.079 0.413 1.00 0.00 H new ATOM 0 HA LEU A 765 7.877 -3.701 -0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 765 5.732 -1.698 -1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 765 6.247 -2.928 -2.509 1.00 0.00 H new ATOM 0 HG LEU A 765 5.214 -3.589 0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 765 3.058 -4.091 -0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 765 3.480 -2.367 -0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 765 3.684 -3.449 -2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 765 4.829 -5.808 -0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 765 5.523 -5.231 -2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 765 6.543 -5.337 -0.822 1.00 0.00 H new ATOM 353 N SER A 766 8.796 -2.736 -2.920 1.00 0.00 N ATOM 354 CA SER A 766 9.719 -2.242 -3.935 1.00 0.00 C ATOM 355 C SER A 766 9.082 -2.293 -5.320 1.00 0.00 C ATOM 356 O SER A 766 8.633 -3.347 -5.771 1.00 0.00 O ATOM 357 CB SER A 766 11.009 -3.064 -3.924 1.00 0.00 C ATOM 358 OG SER A 766 10.753 -4.420 -4.248 1.00 0.00 O ATOM 0 H SER A 766 8.376 -3.640 -3.136 1.00 0.00 H new ATOM 0 HA SER A 766 9.956 -1.204 -3.701 1.00 0.00 H new ATOM 0 HB2 SER A 766 11.718 -2.644 -4.638 1.00 0.00 H new ATOM 0 HB3 SER A 766 11.474 -3.004 -2.940 1.00 0.00 H new ATOM 0 HG SER A 766 9.958 -4.476 -4.819 1.00 0.00 H new ATOM 364 N PHE A 767 9.046 -1.146 -5.990 1.00 0.00 N ATOM 365 CA PHE A 767 8.463 -1.058 -7.324 1.00 0.00 C ATOM 366 C PHE A 767 9.187 -0.011 -8.166 1.00 0.00 C ATOM 367 O PHE A 767 9.819 0.901 -7.633 1.00 0.00 O ATOM 368 CB PHE A 767 6.975 -0.714 -7.232 1.00 0.00 C ATOM 369 CG PHE A 767 6.683 0.451 -6.330 1.00 0.00 C ATOM 370 CD1 PHE A 767 6.921 1.749 -6.755 1.00 0.00 C ATOM 371 CD2 PHE A 767 6.172 0.250 -5.059 1.00 0.00 C ATOM 372 CE1 PHE A 767 6.654 2.824 -5.928 1.00 0.00 C ATOM 373 CE2 PHE A 767 5.902 1.321 -4.228 1.00 0.00 C ATOM 374 CZ PHE A 767 6.145 2.609 -4.662 1.00 0.00 C ATOM 0 H PHE A 767 9.414 -0.265 -5.631 1.00 0.00 H new ATOM 0 HA PHE A 767 8.575 -2.029 -7.807 1.00 0.00 H new ATOM 0 HB2 PHE A 767 6.599 -0.493 -8.231 1.00 0.00 H new ATOM 0 HB3 PHE A 767 6.430 -1.587 -6.872 1.00 0.00 H new ATOM 0 HD1 PHE A 767 7.320 1.922 -7.744 1.00 0.00 H new ATOM 0 HD2 PHE A 767 5.982 -0.755 -4.713 1.00 0.00 H new ATOM 0 HE1 PHE A 767 6.843 3.830 -6.271 1.00 0.00 H new ATOM 0 HE2 PHE A 767 5.501 1.150 -3.240 1.00 0.00 H new ATOM 0 HZ PHE A 767 5.937 3.447 -4.013 1.00 0.00 H new ATOM 384 N ARG A 768 9.090 -0.150 -9.484 1.00 0.00 N ATOM 385 CA ARG A 768 9.736 0.782 -10.400 1.00 0.00 C ATOM 386 C ARG A 768 8.715 1.732 -11.020 1.00 0.00 C ATOM 387 O ARG A 768 7.582 1.342 -11.304 1.00 0.00 O ATOM 388 CB ARG A 768 10.472 0.018 -11.502 1.00 0.00 C ATOM 389 CG ARG A 768 11.678 -0.760 -11.003 1.00 0.00 C ATOM 390 CD ARG A 768 12.849 0.161 -10.699 1.00 0.00 C ATOM 391 NE ARG A 768 13.945 -0.546 -10.041 1.00 0.00 N ATOM 392 CZ ARG A 768 15.041 0.054 -9.590 1.00 0.00 C ATOM 393 NH1 ARG A 768 15.186 1.365 -9.725 1.00 0.00 N ATOM 394 NH2 ARG A 768 15.995 -0.658 -9.003 1.00 0.00 N ATOM 0 H ARG A 768 8.570 -0.899 -9.941 1.00 0.00 H new ATOM 0 HA ARG A 768 10.456 1.371 -9.832 1.00 0.00 H new ATOM 0 HB2 ARG A 768 9.777 -0.673 -11.980 1.00 0.00 H new ATOM 0 HB3 ARG A 768 10.797 0.724 -12.267 1.00 0.00 H new ATOM 0 HG2 ARG A 768 11.408 -1.315 -10.105 1.00 0.00 H new ATOM 0 HG3 ARG A 768 11.975 -1.493 -11.753 1.00 0.00 H new ATOM 0 HD2 ARG A 768 13.210 0.607 -11.626 1.00 0.00 H new ATOM 0 HD3 ARG A 768 12.511 0.979 -10.062 1.00 0.00 H new ATOM 0 HE ARG A 768 13.864 -1.556 -9.921 1.00 0.00 H new ATOM 0 HH11 ARG A 768 14.455 1.915 -10.176 1.00 0.00 H new ATOM 0 HH12 ARG A 768 16.028 1.823 -9.378 1.00 0.00 H new ATOM 0 HH21 ARG A 768 15.887 -1.667 -8.898 1.00 0.00 H new ATOM 0 HH22 ARG A 768 16.836 -0.196 -8.657 1.00 0.00 H new ATOM 408 N ARG A 769 9.124 2.979 -11.225 1.00 0.00 N ATOM 409 CA ARG A 769 8.245 3.985 -11.809 1.00 0.00 C ATOM 410 C ARG A 769 7.361 3.372 -12.892 1.00 0.00 C ATOM 411 O ARG A 769 7.850 2.710 -13.806 1.00 0.00 O ATOM 412 CB ARG A 769 9.067 5.133 -12.397 1.00 0.00 C ATOM 413 CG ARG A 769 8.232 6.163 -13.139 1.00 0.00 C ATOM 414 CD ARG A 769 9.096 7.052 -14.020 1.00 0.00 C ATOM 415 NE ARG A 769 9.774 6.291 -15.067 1.00 0.00 N ATOM 416 CZ ARG A 769 10.852 6.725 -15.709 1.00 0.00 C ATOM 417 NH1 ARG A 769 11.374 7.908 -15.413 1.00 0.00 N ATOM 418 NH2 ARG A 769 11.412 5.976 -16.650 1.00 0.00 N ATOM 0 H ARG A 769 10.058 3.317 -10.995 1.00 0.00 H new ATOM 0 HA ARG A 769 7.604 4.374 -11.018 1.00 0.00 H new ATOM 0 HB2 ARG A 769 9.610 5.629 -11.592 1.00 0.00 H new ATOM 0 HB3 ARG A 769 9.812 4.723 -13.079 1.00 0.00 H new ATOM 0 HG2 ARG A 769 7.487 5.656 -13.752 1.00 0.00 H new ATOM 0 HG3 ARG A 769 7.689 6.778 -12.421 1.00 0.00 H new ATOM 0 HD2 ARG A 769 8.475 7.823 -14.476 1.00 0.00 H new ATOM 0 HD3 ARG A 769 9.837 7.562 -13.405 1.00 0.00 H new ATOM 0 HE ARG A 769 9.399 5.376 -15.318 1.00 0.00 H new ATOM 0 HH11 ARG A 769 10.947 8.487 -14.690 1.00 0.00 H new ATOM 0 HH12 ARG A 769 12.202 8.238 -15.908 1.00 0.00 H new ATOM 0 HH21 ARG A 769 11.014 5.066 -16.881 1.00 0.00 H new ATOM 0 HH22 ARG A 769 12.240 6.311 -17.143 1.00 0.00 H new ATOM 432 N GLY A 770 6.055 3.598 -12.781 1.00 0.00 N ATOM 433 CA GLY A 770 5.124 3.061 -13.756 1.00 0.00 C ATOM 434 C GLY A 770 4.350 1.871 -13.224 1.00 0.00 C ATOM 435 O GLY A 770 3.176 1.691 -13.547 1.00 0.00 O ATOM 0 H GLY A 770 5.626 4.143 -12.033 1.00 0.00 H new ATOM 0 HA2 GLY A 770 4.424 3.842 -14.054 1.00 0.00 H new ATOM 0 HA3 GLY A 770 5.671 2.764 -14.651 1.00 0.00 H new ATOM 439 N ASP A 771 5.009 1.055 -12.408 1.00 0.00 N ATOM 440 CA ASP A 771 4.375 -0.125 -11.831 1.00 0.00 C ATOM 441 C ASP A 771 3.196 0.270 -10.947 1.00 0.00 C ATOM 442 O ASP A 771 3.375 0.866 -9.885 1.00 0.00 O ATOM 443 CB ASP A 771 5.391 -0.929 -11.019 1.00 0.00 C ATOM 444 CG ASP A 771 6.522 -1.465 -11.874 1.00 0.00 C ATOM 445 OD1 ASP A 771 6.997 -0.726 -12.762 1.00 0.00 O ATOM 446 OD2 ASP A 771 6.934 -2.623 -11.655 1.00 0.00 O ATOM 0 H ASP A 771 5.982 1.189 -12.131 1.00 0.00 H new ATOM 0 HA ASP A 771 4.002 -0.744 -12.647 1.00 0.00 H new ATOM 0 HB2 ASP A 771 5.803 -0.298 -10.231 1.00 0.00 H new ATOM 0 HB3 ASP A 771 4.884 -1.761 -10.529 1.00 0.00 H new ATOM 451 N VAL A 772 1.990 -0.067 -11.393 1.00 0.00 N ATOM 452 CA VAL A 772 0.781 0.251 -10.643 1.00 0.00 C ATOM 453 C VAL A 772 0.650 -0.634 -9.409 1.00 0.00 C ATOM 454 O VAL A 772 1.022 -1.808 -9.432 1.00 0.00 O ATOM 455 CB VAL A 772 -0.479 0.089 -11.514 1.00 0.00 C ATOM 456 CG1 VAL A 772 -1.721 0.500 -10.738 1.00 0.00 C ATOM 457 CG2 VAL A 772 -0.349 0.898 -12.795 1.00 0.00 C ATOM 0 H VAL A 772 1.824 -0.560 -12.270 1.00 0.00 H new ATOM 0 HA VAL A 772 0.867 1.292 -10.332 1.00 0.00 H new ATOM 0 HB VAL A 772 -0.580 -0.962 -11.784 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -2.601 0.379 -11.369 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -1.821 -0.127 -9.852 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -1.632 1.543 -10.436 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -1.248 0.772 -13.398 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -0.223 1.952 -12.548 1.00 0.00 H new ATOM 0 HG23 VAL A 772 0.517 0.551 -13.358 1.00 0.00 H new ATOM 467 N LEU A 773 0.119 -0.065 -8.333 1.00 0.00 N ATOM 468 CA LEU A 773 -0.062 -0.803 -7.087 1.00 0.00 C ATOM 469 C LEU A 773 -1.457 -0.573 -6.516 1.00 0.00 C ATOM 470 O LEU A 773 -1.957 0.551 -6.506 1.00 0.00 O ATOM 471 CB LEU A 773 0.996 -0.384 -6.065 1.00 0.00 C ATOM 472 CG LEU A 773 2.338 0.075 -6.637 1.00 0.00 C ATOM 473 CD1 LEU A 773 2.985 1.102 -5.721 1.00 0.00 C ATOM 474 CD2 LEU A 773 3.264 -1.114 -6.846 1.00 0.00 C ATOM 0 H LEU A 773 -0.194 0.905 -8.298 1.00 0.00 H new ATOM 0 HA LEU A 773 0.051 -1.865 -7.303 1.00 0.00 H new ATOM 0 HB2 LEU A 773 0.587 0.424 -5.459 1.00 0.00 H new ATOM 0 HB3 LEU A 773 1.178 -1.224 -5.395 1.00 0.00 H new ATOM 0 HG LEU A 773 2.157 0.543 -7.604 1.00 0.00 H new ATOM 0 HD11 LEU A 773 3.939 1.417 -6.144 1.00 0.00 H new ATOM 0 HD12 LEU A 773 2.328 1.966 -5.622 1.00 0.00 H new ATOM 0 HD13 LEU A 773 3.152 0.660 -4.739 1.00 0.00 H new ATOM 0 HD21 LEU A 773 4.214 -0.768 -7.254 1.00 0.00 H new ATOM 0 HD22 LEU A 773 3.438 -1.612 -5.892 1.00 0.00 H new ATOM 0 HD23 LEU A 773 2.804 -1.815 -7.542 1.00 0.00 H new ATOM 486 N ARG A 774 -2.080 -1.646 -6.039 1.00 0.00 N ATOM 487 CA ARG A 774 -3.417 -1.562 -5.465 1.00 0.00 C ATOM 488 C ARG A 774 -3.357 -1.085 -4.017 1.00 0.00 C ATOM 489 O ARG A 774 -2.652 -1.664 -3.190 1.00 0.00 O ATOM 490 CB ARG A 774 -4.113 -2.922 -5.537 1.00 0.00 C ATOM 491 CG ARG A 774 -4.738 -3.215 -6.891 1.00 0.00 C ATOM 492 CD ARG A 774 -5.267 -4.639 -6.964 1.00 0.00 C ATOM 493 NE ARG A 774 -6.433 -4.834 -6.107 1.00 0.00 N ATOM 494 CZ ARG A 774 -7.193 -5.923 -6.136 1.00 0.00 C ATOM 495 NH1 ARG A 774 -6.910 -6.910 -6.974 1.00 0.00 N ATOM 496 NH2 ARG A 774 -8.237 -6.027 -5.324 1.00 0.00 N ATOM 0 H ARG A 774 -1.679 -2.584 -6.039 1.00 0.00 H new ATOM 0 HA ARG A 774 -3.990 -0.838 -6.045 1.00 0.00 H new ATOM 0 HB2 ARG A 774 -3.390 -3.704 -5.303 1.00 0.00 H new ATOM 0 HB3 ARG A 774 -4.888 -2.965 -4.772 1.00 0.00 H new ATOM 0 HG2 ARG A 774 -5.551 -2.514 -7.077 1.00 0.00 H new ATOM 0 HG3 ARG A 774 -3.998 -3.060 -7.676 1.00 0.00 H new ATOM 0 HD2 ARG A 774 -5.531 -4.875 -7.995 1.00 0.00 H new ATOM 0 HD3 ARG A 774 -4.480 -5.334 -6.669 1.00 0.00 H new ATOM 0 HE ARG A 774 -6.677 -4.093 -5.450 1.00 0.00 H new ATOM 0 HH11 ARG A 774 -6.107 -6.834 -7.599 1.00 0.00 H new ATOM 0 HH12 ARG A 774 -7.495 -7.745 -6.994 1.00 0.00 H new ATOM 0 HH21 ARG A 774 -8.457 -5.270 -4.676 1.00 0.00 H new ATOM 0 HH22 ARG A 774 -8.820 -6.864 -5.347 1.00 0.00 H new ATOM 510 N LEU A 775 -4.102 -0.026 -3.717 1.00 0.00 N ATOM 511 CA LEU A 775 -4.134 0.529 -2.368 1.00 0.00 C ATOM 512 C LEU A 775 -5.324 -0.013 -1.584 1.00 0.00 C ATOM 513 O LEU A 775 -6.430 0.523 -1.664 1.00 0.00 O ATOM 514 CB LEU A 775 -4.200 2.057 -2.426 1.00 0.00 C ATOM 515 CG LEU A 775 -3.114 2.744 -3.254 1.00 0.00 C ATOM 516 CD1 LEU A 775 -3.230 4.256 -3.136 1.00 0.00 C ATOM 517 CD2 LEU A 775 -1.733 2.278 -2.817 1.00 0.00 C ATOM 0 H LEU A 775 -4.691 0.465 -4.389 1.00 0.00 H new ATOM 0 HA LEU A 775 -3.219 0.230 -1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 775 -5.172 2.344 -2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 775 -4.150 2.442 -1.407 1.00 0.00 H new ATOM 0 HG LEU A 775 -3.253 2.469 -4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 775 -2.449 4.728 -3.732 1.00 0.00 H new ATOM 0 HD12 LEU A 775 -4.207 4.575 -3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 775 -3.117 4.549 -2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 775 -0.973 2.778 -3.418 1.00 0.00 H new ATOM 0 HD22 LEU A 775 -1.583 2.522 -1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 775 -1.653 1.200 -2.954 1.00 0.00 H new ATOM 529 N HIS A 776 -5.090 -1.078 -0.824 1.00 0.00 N ATOM 530 CA HIS A 776 -6.143 -1.692 -0.022 1.00 0.00 C ATOM 531 C HIS A 776 -6.826 -0.654 0.863 1.00 0.00 C ATOM 532 O HIS A 776 -8.030 -0.427 0.752 1.00 0.00 O ATOM 533 CB HIS A 776 -5.567 -2.815 0.840 1.00 0.00 C ATOM 534 CG HIS A 776 -4.759 -3.811 0.066 1.00 0.00 C ATOM 535 ND1 HIS A 776 -4.333 -5.010 0.596 1.00 0.00 N ATOM 536 CD2 HIS A 776 -4.301 -3.780 -1.208 1.00 0.00 C ATOM 537 CE1 HIS A 776 -3.646 -5.673 -0.317 1.00 0.00 C ATOM 538 NE2 HIS A 776 -3.612 -4.949 -1.421 1.00 0.00 N ATOM 0 H HIS A 776 -4.181 -1.534 -0.746 1.00 0.00 H new ATOM 0 HA HIS A 776 -6.886 -2.110 -0.701 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -4.942 -2.379 1.619 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -6.385 -3.333 1.340 1.00 0.00 H new ATOM 0 HD1 HIS A 776 -4.519 -5.335 1.545 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -4.450 -2.985 -1.923 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -3.190 -6.643 -0.183 1.00 0.00 H new ATOM 546 N GLU A 777 -6.048 -0.029 1.742 1.00 0.00 N ATOM 547 CA GLU A 777 -6.580 0.984 2.647 1.00 0.00 C ATOM 548 C GLU A 777 -5.458 1.843 3.222 1.00 0.00 C ATOM 549 O GLU A 777 -4.340 1.368 3.426 1.00 0.00 O ATOM 550 CB GLU A 777 -7.365 0.323 3.782 1.00 0.00 C ATOM 551 CG GLU A 777 -7.938 1.312 4.783 1.00 0.00 C ATOM 552 CD GLU A 777 -8.373 0.650 6.075 1.00 0.00 C ATOM 553 OE1 GLU A 777 -8.992 -0.433 6.006 1.00 0.00 O ATOM 554 OE2 GLU A 777 -8.095 1.213 7.154 1.00 0.00 O ATOM 0 H GLU A 777 -5.049 -0.206 1.847 1.00 0.00 H new ATOM 0 HA GLU A 777 -7.251 1.628 2.078 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -8.180 -0.263 3.356 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -6.711 -0.374 4.306 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -7.190 2.074 5.004 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -8.791 1.822 4.336 1.00 0.00 H new ATOM 561 N ARG A 778 -5.764 3.110 3.481 1.00 0.00 N ATOM 562 CA ARG A 778 -4.782 4.036 4.031 1.00 0.00 C ATOM 563 C ARG A 778 -4.014 3.394 5.183 1.00 0.00 C ATOM 564 O ARG A 778 -4.603 2.756 6.055 1.00 0.00 O ATOM 565 CB ARG A 778 -5.469 5.315 4.512 1.00 0.00 C ATOM 566 CG ARG A 778 -4.505 6.457 4.790 1.00 0.00 C ATOM 567 CD ARG A 778 -3.952 7.045 3.501 1.00 0.00 C ATOM 568 NE ARG A 778 -4.897 7.962 2.869 1.00 0.00 N ATOM 569 CZ ARG A 778 -5.041 9.233 3.229 1.00 0.00 C ATOM 570 NH1 ARG A 778 -4.305 9.734 4.211 1.00 0.00 N ATOM 571 NH2 ARG A 778 -5.922 10.004 2.605 1.00 0.00 N ATOM 0 H ARG A 778 -6.684 3.519 3.319 1.00 0.00 H new ATOM 0 HA ARG A 778 -4.074 4.287 3.241 1.00 0.00 H new ATOM 0 HB2 ARG A 778 -6.190 5.635 3.760 1.00 0.00 H new ATOM 0 HB3 ARG A 778 -6.031 5.096 5.420 1.00 0.00 H new ATOM 0 HG2 ARG A 778 -5.015 7.236 5.357 1.00 0.00 H new ATOM 0 HG3 ARG A 778 -3.683 6.098 5.410 1.00 0.00 H new ATOM 0 HD2 ARG A 778 -3.022 7.572 3.713 1.00 0.00 H new ATOM 0 HD3 ARG A 778 -3.711 6.238 2.809 1.00 0.00 H new ATOM 0 HE ARG A 778 -5.478 7.607 2.110 1.00 0.00 H new ATOM 0 HH11 ARG A 778 -3.626 9.144 4.692 1.00 0.00 H new ATOM 0 HH12 ARG A 778 -4.417 10.710 4.486 1.00 0.00 H new ATOM 0 HH21 ARG A 778 -6.489 9.621 1.849 1.00 0.00 H new ATOM 0 HH22 ARG A 778 -6.032 10.980 2.882 1.00 0.00 H new ATOM 585 N ALA A 779 -2.696 3.567 5.178 1.00 0.00 N ATOM 586 CA ALA A 779 -1.849 3.006 6.223 1.00 0.00 C ATOM 587 C ALA A 779 -1.397 4.085 7.201 1.00 0.00 C ATOM 588 O ALA A 779 -1.394 3.874 8.414 1.00 0.00 O ATOM 589 CB ALA A 779 -0.644 2.310 5.608 1.00 0.00 C ATOM 0 H ALA A 779 -2.192 4.091 4.462 1.00 0.00 H new ATOM 0 HA ALA A 779 -2.435 2.273 6.777 1.00 0.00 H new ATOM 0 HB1 ALA A 779 -0.020 1.896 6.400 1.00 0.00 H new ATOM 0 HB2 ALA A 779 -0.983 1.506 4.954 1.00 0.00 H new ATOM 0 HB3 ALA A 779 -0.065 3.029 5.029 1.00 0.00 H new ATOM 595 N SER A 780 -1.014 5.240 6.666 1.00 0.00 N ATOM 596 CA SER A 780 -0.556 6.350 7.492 1.00 0.00 C ATOM 597 C SER A 780 -0.792 7.684 6.790 1.00 0.00 C ATOM 598 O SER A 780 -1.389 7.734 5.715 1.00 0.00 O ATOM 599 CB SER A 780 0.930 6.190 7.820 1.00 0.00 C ATOM 600 OG SER A 780 1.240 6.765 9.078 1.00 0.00 O ATOM 0 H SER A 780 -1.012 5.431 5.664 1.00 0.00 H new ATOM 0 HA SER A 780 -1.129 6.341 8.419 1.00 0.00 H new ATOM 0 HB2 SER A 780 1.192 5.132 7.826 1.00 0.00 H new ATOM 0 HB3 SER A 780 1.530 6.663 7.043 1.00 0.00 H new ATOM 0 HG SER A 780 2.195 6.648 9.265 1.00 0.00 H new ATOM 606 N SER A 781 -0.320 8.762 7.407 1.00 0.00 N ATOM 607 CA SER A 781 -0.483 10.098 6.844 1.00 0.00 C ATOM 608 C SER A 781 0.062 10.157 5.420 1.00 0.00 C ATOM 609 O SER A 781 -0.623 10.606 4.501 1.00 0.00 O ATOM 610 CB SER A 781 0.228 11.133 7.718 1.00 0.00 C ATOM 611 OG SER A 781 -0.042 12.450 7.271 1.00 0.00 O ATOM 0 H SER A 781 0.178 8.737 8.297 1.00 0.00 H new ATOM 0 HA SER A 781 -1.548 10.327 6.817 1.00 0.00 H new ATOM 0 HB2 SER A 781 -0.096 11.023 8.753 1.00 0.00 H new ATOM 0 HB3 SER A 781 1.303 10.953 7.699 1.00 0.00 H new ATOM 0 HG SER A 781 0.423 13.093 7.847 1.00 0.00 H new ATOM 617 N ASP A 782 1.297 9.702 5.247 1.00 0.00 N ATOM 618 CA ASP A 782 1.935 9.702 3.936 1.00 0.00 C ATOM 619 C ASP A 782 2.319 8.286 3.518 1.00 0.00 C ATOM 620 O ASP A 782 3.388 8.064 2.949 1.00 0.00 O ATOM 621 CB ASP A 782 3.175 10.597 3.948 1.00 0.00 C ATOM 622 CG ASP A 782 2.858 12.030 3.570 1.00 0.00 C ATOM 623 OD1 ASP A 782 1.755 12.504 3.913 1.00 0.00 O ATOM 624 OD2 ASP A 782 3.713 12.678 2.930 1.00 0.00 O ATOM 0 H ASP A 782 1.877 9.328 5.998 1.00 0.00 H new ATOM 0 HA ASP A 782 1.220 10.094 3.212 1.00 0.00 H new ATOM 0 HB2 ASP A 782 3.624 10.577 4.941 1.00 0.00 H new ATOM 0 HB3 ASP A 782 3.915 10.197 3.255 1.00 0.00 H new ATOM 629 N TRP A 783 1.441 7.332 3.805 1.00 0.00 N ATOM 630 CA TRP A 783 1.689 5.936 3.461 1.00 0.00 C ATOM 631 C TRP A 783 0.382 5.207 3.168 1.00 0.00 C ATOM 632 O TRP A 783 -0.692 5.655 3.570 1.00 0.00 O ATOM 633 CB TRP A 783 2.436 5.234 4.596 1.00 0.00 C ATOM 634 CG TRP A 783 3.873 5.646 4.705 1.00 0.00 C ATOM 635 CD1 TRP A 783 4.369 6.711 5.400 1.00 0.00 C ATOM 636 CD2 TRP A 783 4.998 5.000 4.099 1.00 0.00 C ATOM 637 NE1 TRP A 783 5.735 6.767 5.263 1.00 0.00 N ATOM 638 CE2 TRP A 783 6.145 5.728 4.470 1.00 0.00 C ATOM 639 CE3 TRP A 783 5.148 3.877 3.282 1.00 0.00 C ATOM 640 CZ2 TRP A 783 7.423 5.368 4.050 1.00 0.00 C ATOM 641 CZ3 TRP A 783 6.416 3.521 2.865 1.00 0.00 C ATOM 642 CH2 TRP A 783 7.540 4.264 3.250 1.00 0.00 C ATOM 0 H TRP A 783 0.551 7.499 4.275 1.00 0.00 H new ATOM 0 HA TRP A 783 2.305 5.913 2.562 1.00 0.00 H new ATOM 0 HB2 TRP A 783 1.932 5.446 5.539 1.00 0.00 H new ATOM 0 HB3 TRP A 783 2.385 4.156 4.443 1.00 0.00 H new ATOM 0 HD1 TRP A 783 3.775 7.407 5.973 1.00 0.00 H new ATOM 0 HE1 TRP A 783 6.345 7.468 5.683 1.00 0.00 H new ATOM 0 HE3 TRP A 783 4.288 3.297 2.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 783 8.291 5.940 4.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 783 6.543 2.656 2.232 1.00 0.00 H new ATOM 0 HH2 TRP A 783 8.518 3.959 2.908 1.00 0.00 H new ATOM 653 N TRP A 784 0.480 4.083 2.468 1.00 0.00 N ATOM 654 CA TRP A 784 -0.696 3.293 2.122 1.00 0.00 C ATOM 655 C TRP A 784 -0.419 1.803 2.291 1.00 0.00 C ATOM 656 O TRP A 784 0.674 1.408 2.697 1.00 0.00 O ATOM 657 CB TRP A 784 -1.128 3.585 0.684 1.00 0.00 C ATOM 658 CG TRP A 784 -1.526 5.012 0.462 1.00 0.00 C ATOM 659 CD1 TRP A 784 -0.694 6.093 0.387 1.00 0.00 C ATOM 660 CD2 TRP A 784 -2.856 5.514 0.288 1.00 0.00 C ATOM 661 NE1 TRP A 784 -1.427 7.236 0.177 1.00 0.00 N ATOM 662 CE2 TRP A 784 -2.755 6.908 0.111 1.00 0.00 C ATOM 663 CE3 TRP A 784 -4.121 4.921 0.261 1.00 0.00 C ATOM 664 CZ2 TRP A 784 -3.873 7.715 -0.087 1.00 0.00 C ATOM 665 CZ3 TRP A 784 -5.228 5.723 0.065 1.00 0.00 C ATOM 666 CH2 TRP A 784 -5.099 7.108 -0.108 1.00 0.00 C ATOM 0 H TRP A 784 1.362 3.698 2.129 1.00 0.00 H new ATOM 0 HA TRP A 784 -1.503 3.573 2.799 1.00 0.00 H new ATOM 0 HB2 TRP A 784 -0.310 3.334 0.008 1.00 0.00 H new ATOM 0 HB3 TRP A 784 -1.966 2.937 0.425 1.00 0.00 H new ATOM 0 HD1 TRP A 784 0.381 6.055 0.479 1.00 0.00 H new ATOM 0 HE1 TRP A 784 -1.044 8.177 0.085 1.00 0.00 H new ATOM 0 HE3 TRP A 784 -4.231 3.855 0.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 784 -3.775 8.782 -0.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 784 -6.211 5.275 0.045 1.00 0.00 H new ATOM 0 HH2 TRP A 784 -5.984 7.707 -0.261 1.00 0.00 H new ATOM 677 N ARG A 785 -1.414 0.981 1.975 1.00 0.00 N ATOM 678 CA ARG A 785 -1.277 -0.466 2.093 1.00 0.00 C ATOM 679 C ARG A 785 -1.714 -1.160 0.806 1.00 0.00 C ATOM 680 O ARG A 785 -2.882 -1.103 0.424 1.00 0.00 O ATOM 681 CB ARG A 785 -2.104 -0.984 3.271 1.00 0.00 C ATOM 682 CG ARG A 785 -1.350 -0.988 4.590 1.00 0.00 C ATOM 683 CD ARG A 785 -2.209 -1.530 5.722 1.00 0.00 C ATOM 684 NE ARG A 785 -1.835 -0.961 7.014 1.00 0.00 N ATOM 685 CZ ARG A 785 -2.188 -1.490 8.180 1.00 0.00 C ATOM 686 NH1 ARG A 785 -2.918 -2.596 8.216 1.00 0.00 N ATOM 687 NH2 ARG A 785 -1.809 -0.913 9.313 1.00 0.00 N ATOM 0 H ARG A 785 -2.324 1.292 1.635 1.00 0.00 H new ATOM 0 HA ARG A 785 -0.226 -0.693 2.269 1.00 0.00 H new ATOM 0 HB2 ARG A 785 -2.998 -0.368 3.375 1.00 0.00 H new ATOM 0 HB3 ARG A 785 -2.439 -1.998 3.051 1.00 0.00 H new ATOM 0 HG2 ARG A 785 -0.449 -1.594 4.493 1.00 0.00 H new ATOM 0 HG3 ARG A 785 -1.028 0.026 4.829 1.00 0.00 H new ATOM 0 HD2 ARG A 785 -3.257 -1.310 5.519 1.00 0.00 H new ATOM 0 HD3 ARG A 785 -2.113 -2.615 5.762 1.00 0.00 H new ATOM 0 HE ARG A 785 -1.272 -0.111 7.021 1.00 0.00 H new ATOM 0 HH11 ARG A 785 -3.210 -3.043 7.347 1.00 0.00 H new ATOM 0 HH12 ARG A 785 -3.188 -3.000 9.113 1.00 0.00 H new ATOM 0 HH21 ARG A 785 -1.246 -0.063 9.289 1.00 0.00 H new ATOM 0 HH22 ARG A 785 -2.080 -1.320 10.208 1.00 0.00 H new ATOM 701 N GLY A 786 -0.767 -1.815 0.142 1.00 0.00 N ATOM 702 CA GLY A 786 -1.073 -2.510 -1.095 1.00 0.00 C ATOM 703 C GLY A 786 -0.294 -3.801 -1.242 1.00 0.00 C ATOM 704 O GLY A 786 0.461 -4.183 -0.349 1.00 0.00 O ATOM 0 H GLY A 786 0.207 -1.877 0.438 1.00 0.00 H new ATOM 0 HA2 GLY A 786 -2.141 -2.727 -1.132 1.00 0.00 H new ATOM 0 HA3 GLY A 786 -0.851 -1.857 -1.939 1.00 0.00 H new ATOM 708 N GLU A 787 -0.479 -4.477 -2.373 1.00 0.00 N ATOM 709 CA GLU A 787 0.211 -5.735 -2.632 1.00 0.00 C ATOM 710 C GLU A 787 0.799 -5.753 -4.040 1.00 0.00 C ATOM 711 O GLU A 787 0.078 -5.601 -5.027 1.00 0.00 O ATOM 712 CB GLU A 787 -0.747 -6.914 -2.452 1.00 0.00 C ATOM 713 CG GLU A 787 -0.343 -8.151 -3.236 1.00 0.00 C ATOM 714 CD GLU A 787 -1.341 -9.284 -3.094 1.00 0.00 C ATOM 715 OE1 GLU A 787 -2.427 -9.200 -3.705 1.00 0.00 O ATOM 716 OE2 GLU A 787 -1.036 -10.255 -2.370 1.00 0.00 O ATOM 0 H GLU A 787 -1.100 -4.174 -3.123 1.00 0.00 H new ATOM 0 HA GLU A 787 1.027 -5.827 -1.915 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -0.803 -7.167 -1.393 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -1.747 -6.609 -2.760 1.00 0.00 H new ATOM 0 HG2 GLU A 787 -0.241 -7.891 -4.290 1.00 0.00 H new ATOM 0 HG3 GLU A 787 0.636 -8.489 -2.895 1.00 0.00 H new ATOM 723 N HIS A 788 2.112 -5.939 -4.125 1.00 0.00 N ATOM 724 CA HIS A 788 2.798 -5.977 -5.412 1.00 0.00 C ATOM 725 C HIS A 788 2.632 -7.340 -6.075 1.00 0.00 C ATOM 726 O HIS A 788 1.944 -8.216 -5.552 1.00 0.00 O ATOM 727 CB HIS A 788 4.283 -5.661 -5.232 1.00 0.00 C ATOM 728 CG HIS A 788 4.900 -4.987 -6.418 1.00 0.00 C ATOM 729 ND1 HIS A 788 6.233 -4.641 -6.478 1.00 0.00 N ATOM 730 CD2 HIS A 788 4.358 -4.596 -7.595 1.00 0.00 C ATOM 731 CE1 HIS A 788 6.485 -4.065 -7.640 1.00 0.00 C ATOM 732 NE2 HIS A 788 5.363 -4.026 -8.337 1.00 0.00 N ATOM 0 H HIS A 788 2.723 -6.066 -3.318 1.00 0.00 H new ATOM 0 HA HIS A 788 2.350 -5.222 -6.058 1.00 0.00 H new ATOM 0 HB2 HIS A 788 4.407 -5.023 -4.357 1.00 0.00 H new ATOM 0 HB3 HIS A 788 4.821 -6.587 -5.030 1.00 0.00 H new ATOM 0 HD1 HIS A 788 6.918 -4.804 -5.740 1.00 0.00 H new ATOM 0 HD2 HIS A 788 3.327 -4.711 -7.895 1.00 0.00 H new ATOM 0 HE1 HIS A 788 7.444 -3.690 -7.965 1.00 0.00 H new ATOM 740 N ASN A 789 3.267 -7.512 -7.230 1.00 0.00 N ATOM 741 CA ASN A 789 3.188 -8.769 -7.966 1.00 0.00 C ATOM 742 C ASN A 789 3.883 -9.891 -7.202 1.00 0.00 C ATOM 743 O ASN A 789 4.971 -10.330 -7.574 1.00 0.00 O ATOM 744 CB ASN A 789 3.820 -8.613 -9.351 1.00 0.00 C ATOM 745 CG ASN A 789 3.463 -9.757 -10.281 1.00 0.00 C ATOM 746 OD1 ASN A 789 2.390 -10.349 -10.171 1.00 0.00 O ATOM 747 ND2 ASN A 789 4.365 -10.072 -11.203 1.00 0.00 N ATOM 0 H ASN A 789 3.842 -6.797 -7.676 1.00 0.00 H new ATOM 0 HA ASN A 789 2.136 -9.029 -8.081 1.00 0.00 H new ATOM 0 HB2 ASN A 789 3.492 -7.673 -9.793 1.00 0.00 H new ATOM 0 HB3 ASN A 789 4.904 -8.556 -9.249 1.00 0.00 H new ATOM 0 HD21 ASN A 789 4.181 -10.833 -11.857 1.00 0.00 H new ATOM 0 HD22 ASN A 789 5.242 -9.553 -11.257 1.00 0.00 H new ATOM 754 N GLY A 790 3.247 -10.352 -6.129 1.00 0.00 N ATOM 755 CA GLY A 790 3.818 -11.419 -5.329 1.00 0.00 C ATOM 756 C GLY A 790 4.309 -10.933 -3.980 1.00 0.00 C ATOM 757 O GLY A 790 4.635 -11.735 -3.105 1.00 0.00 O ATOM 0 H GLY A 790 2.346 -10.005 -5.800 1.00 0.00 H new ATOM 0 HA2 GLY A 790 3.070 -12.198 -5.181 1.00 0.00 H new ATOM 0 HA3 GLY A 790 4.647 -11.872 -5.872 1.00 0.00 H new ATOM 761 N MET A 791 4.364 -9.616 -3.811 1.00 0.00 N ATOM 762 CA MET A 791 4.820 -9.025 -2.559 1.00 0.00 C ATOM 763 C MET A 791 3.694 -8.251 -1.881 1.00 0.00 C ATOM 764 O MET A 791 2.704 -7.893 -2.519 1.00 0.00 O ATOM 765 CB MET A 791 6.012 -8.099 -2.811 1.00 0.00 C ATOM 766 CG MET A 791 7.357 -8.801 -2.719 1.00 0.00 C ATOM 767 SD MET A 791 8.738 -7.708 -3.107 1.00 0.00 S ATOM 768 CE MET A 791 8.703 -7.742 -4.897 1.00 0.00 C ATOM 0 H MET A 791 4.098 -8.938 -4.525 1.00 0.00 H new ATOM 0 HA MET A 791 5.131 -9.833 -1.897 1.00 0.00 H new ATOM 0 HB2 MET A 791 5.912 -7.652 -3.800 1.00 0.00 H new ATOM 0 HB3 MET A 791 5.987 -7.283 -2.089 1.00 0.00 H new ATOM 0 HG2 MET A 791 7.486 -9.200 -1.713 1.00 0.00 H new ATOM 0 HG3 MET A 791 7.367 -9.650 -3.403 1.00 0.00 H new ATOM 0 HE1 MET A 791 9.501 -7.111 -5.289 1.00 0.00 H new ATOM 0 HE2 MET A 791 8.846 -8.765 -5.244 1.00 0.00 H new ATOM 0 HE3 MET A 791 7.741 -7.370 -5.249 1.00 0.00 H new ATOM 778 N ARG A 792 3.852 -7.996 -0.587 1.00 0.00 N ATOM 779 CA ARG A 792 2.847 -7.266 0.177 1.00 0.00 C ATOM 780 C ARG A 792 3.505 -6.352 1.207 1.00 0.00 C ATOM 781 O ARG A 792 4.453 -6.745 1.885 1.00 0.00 O ATOM 782 CB ARG A 792 1.899 -8.242 0.877 1.00 0.00 C ATOM 783 CG ARG A 792 1.039 -9.049 -0.082 1.00 0.00 C ATOM 784 CD ARG A 792 -0.174 -9.639 0.620 1.00 0.00 C ATOM 785 NE ARG A 792 -1.091 -8.604 1.090 1.00 0.00 N ATOM 786 CZ ARG A 792 -2.015 -8.810 2.022 1.00 0.00 C ATOM 787 NH1 ARG A 792 -2.145 -10.006 2.579 1.00 0.00 N ATOM 788 NH2 ARG A 792 -2.813 -7.818 2.397 1.00 0.00 N ATOM 0 H ARG A 792 4.667 -8.284 -0.045 1.00 0.00 H new ATOM 0 HA ARG A 792 2.275 -6.650 -0.517 1.00 0.00 H new ATOM 0 HB2 ARG A 792 2.484 -8.927 1.491 1.00 0.00 H new ATOM 0 HB3 ARG A 792 1.250 -7.684 1.552 1.00 0.00 H new ATOM 0 HG2 ARG A 792 0.711 -8.411 -0.903 1.00 0.00 H new ATOM 0 HG3 ARG A 792 1.634 -9.851 -0.519 1.00 0.00 H new ATOM 0 HD2 ARG A 792 -0.700 -10.306 -0.063 1.00 0.00 H new ATOM 0 HD3 ARG A 792 0.155 -10.243 1.465 1.00 0.00 H new ATOM 0 HE ARG A 792 -1.018 -7.673 0.681 1.00 0.00 H new ATOM 0 HH11 ARG A 792 -1.535 -10.771 2.292 1.00 0.00 H new ATOM 0 HH12 ARG A 792 -2.855 -10.161 3.294 1.00 0.00 H new ATOM 0 HH21 ARG A 792 -2.717 -6.897 1.970 1.00 0.00 H new ATOM 0 HH22 ARG A 792 -3.522 -7.977 3.113 1.00 0.00 H new ATOM 802 N GLY A 793 2.995 -5.129 1.316 1.00 0.00 N ATOM 803 CA GLY A 793 3.545 -4.178 2.264 1.00 0.00 C ATOM 804 C GLY A 793 2.915 -2.805 2.141 1.00 0.00 C ATOM 805 O GLY A 793 1.854 -2.653 1.534 1.00 0.00 O ATOM 0 H GLY A 793 2.211 -4.780 0.765 1.00 0.00 H new ATOM 0 HA2 GLY A 793 3.397 -4.553 3.277 1.00 0.00 H new ATOM 0 HA3 GLY A 793 4.621 -4.096 2.109 1.00 0.00 H new ATOM 809 N LEU A 794 3.568 -1.802 2.718 1.00 0.00 N ATOM 810 CA LEU A 794 3.064 -0.434 2.671 1.00 0.00 C ATOM 811 C LEU A 794 3.455 0.245 1.362 1.00 0.00 C ATOM 812 O LEU A 794 4.160 -0.335 0.536 1.00 0.00 O ATOM 813 CB LEU A 794 3.602 0.369 3.856 1.00 0.00 C ATOM 814 CG LEU A 794 3.157 -0.099 5.242 1.00 0.00 C ATOM 815 CD1 LEU A 794 4.223 0.216 6.280 1.00 0.00 C ATOM 816 CD2 LEU A 794 1.832 0.546 5.623 1.00 0.00 C ATOM 0 H LEU A 794 4.447 -1.910 3.224 1.00 0.00 H new ATOM 0 HA LEU A 794 1.976 -0.471 2.729 1.00 0.00 H new ATOM 0 HB2 LEU A 794 4.691 0.347 3.820 1.00 0.00 H new ATOM 0 HB3 LEU A 794 3.300 1.409 3.731 1.00 0.00 H new ATOM 0 HG LEU A 794 3.017 -1.180 5.212 1.00 0.00 H new ATOM 0 HD11 LEU A 794 3.888 -0.124 7.260 1.00 0.00 H new ATOM 0 HD12 LEU A 794 5.150 -0.293 6.016 1.00 0.00 H new ATOM 0 HD13 LEU A 794 4.396 1.292 6.309 1.00 0.00 H new ATOM 0 HD21 LEU A 794 1.531 0.201 6.612 1.00 0.00 H new ATOM 0 HD22 LEU A 794 1.945 1.630 5.635 1.00 0.00 H new ATOM 0 HD23 LEU A 794 1.070 0.269 4.895 1.00 0.00 H new ATOM 828 N ILE A 795 2.994 1.479 1.181 1.00 0.00 N ATOM 829 CA ILE A 795 3.298 2.238 -0.025 1.00 0.00 C ATOM 830 C ILE A 795 3.463 3.721 0.286 1.00 0.00 C ATOM 831 O ILE A 795 2.634 4.337 0.957 1.00 0.00 O ATOM 832 CB ILE A 795 2.198 2.068 -1.090 1.00 0.00 C ATOM 833 CG1 ILE A 795 2.315 0.698 -1.761 1.00 0.00 C ATOM 834 CG2 ILE A 795 2.285 3.180 -2.124 1.00 0.00 C ATOM 835 CD1 ILE A 795 1.114 0.334 -2.606 1.00 0.00 C ATOM 0 H ILE A 795 2.409 1.973 1.854 1.00 0.00 H new ATOM 0 HA ILE A 795 4.236 1.845 -0.417 1.00 0.00 H new ATOM 0 HB ILE A 795 1.226 2.130 -0.600 1.00 0.00 H new ATOM 0 HG12 ILE A 795 3.207 0.684 -2.387 1.00 0.00 H new ATOM 0 HG13 ILE A 795 2.453 -0.063 -0.993 1.00 0.00 H new ATOM 0 HG21 ILE A 795 1.501 3.046 -2.870 1.00 0.00 H new ATOM 0 HG22 ILE A 795 2.157 4.145 -1.633 1.00 0.00 H new ATOM 0 HG23 ILE A 795 3.259 3.148 -2.612 1.00 0.00 H new ATOM 0 HD11 ILE A 795 1.267 -0.649 -3.051 1.00 0.00 H new ATOM 0 HD12 ILE A 795 0.221 0.315 -1.981 1.00 0.00 H new ATOM 0 HD13 ILE A 795 0.988 1.074 -3.396 1.00 0.00 H new ATOM 847 N PRO A 796 4.559 4.312 -0.214 1.00 0.00 N ATOM 848 CA PRO A 796 4.858 5.732 -0.004 1.00 0.00 C ATOM 849 C PRO A 796 3.900 6.644 -0.763 1.00 0.00 C ATOM 850 O PRO A 796 3.841 6.615 -1.992 1.00 0.00 O ATOM 851 CB PRO A 796 6.281 5.879 -0.549 1.00 0.00 C ATOM 852 CG PRO A 796 6.420 4.779 -1.544 1.00 0.00 C ATOM 853 CD PRO A 796 5.589 3.640 -1.023 1.00 0.00 C ATOM 0 HA PRO A 796 4.756 6.020 1.042 1.00 0.00 H new ATOM 0 HB2 PRO A 796 6.428 6.854 -1.013 1.00 0.00 H new ATOM 0 HB3 PRO A 796 7.021 5.789 0.246 1.00 0.00 H new ATOM 0 HG2 PRO A 796 6.073 5.097 -2.527 1.00 0.00 H new ATOM 0 HG3 PRO A 796 7.463 4.482 -1.654 1.00 0.00 H new ATOM 0 HD2 PRO A 796 5.148 3.060 -1.834 1.00 0.00 H new ATOM 0 HD3 PRO A 796 6.183 2.950 -0.424 1.00 0.00 H new ATOM 861 N HIS A 797 3.151 7.455 -0.022 1.00 0.00 N ATOM 862 CA HIS A 797 2.196 8.377 -0.626 1.00 0.00 C ATOM 863 C HIS A 797 2.917 9.484 -1.389 1.00 0.00 C ATOM 864 O HIS A 797 2.343 10.119 -2.274 1.00 0.00 O ATOM 865 CB HIS A 797 1.294 8.987 0.448 1.00 0.00 C ATOM 866 CG HIS A 797 0.386 10.059 -0.070 1.00 0.00 C ATOM 867 ND1 HIS A 797 -0.989 9.969 -0.022 1.00 0.00 N ATOM 868 CD2 HIS A 797 0.663 11.252 -0.647 1.00 0.00 C ATOM 869 CE1 HIS A 797 -1.518 11.058 -0.549 1.00 0.00 C ATOM 870 NE2 HIS A 797 -0.537 11.853 -0.936 1.00 0.00 N ATOM 0 H HIS A 797 3.187 7.492 0.997 1.00 0.00 H new ATOM 0 HA HIS A 797 1.582 7.815 -1.330 1.00 0.00 H new ATOM 0 HB2 HIS A 797 0.691 8.197 0.896 1.00 0.00 H new ATOM 0 HB3 HIS A 797 1.916 9.402 1.241 1.00 0.00 H new ATOM 0 HD2 HIS A 797 1.645 11.656 -0.843 1.00 0.00 H new ATOM 0 HE1 HIS A 797 -2.574 11.264 -0.647 1.00 0.00 H new ATOM 0 HE2 HIS A 797 -0.652 12.765 -1.378 1.00 0.00 H new ATOM 878 N LYS A 798 4.179 9.711 -1.040 1.00 0.00 N ATOM 879 CA LYS A 798 4.980 10.740 -1.691 1.00 0.00 C ATOM 880 C LYS A 798 5.485 10.259 -3.048 1.00 0.00 C ATOM 881 O LYS A 798 5.532 11.025 -4.011 1.00 0.00 O ATOM 882 CB LYS A 798 6.164 11.132 -0.804 1.00 0.00 C ATOM 883 CG LYS A 798 7.189 12.005 -1.507 1.00 0.00 C ATOM 884 CD LYS A 798 8.472 12.118 -0.701 1.00 0.00 C ATOM 885 CE LYS A 798 8.274 12.964 0.547 1.00 0.00 C ATOM 886 NZ LYS A 798 9.497 12.995 1.396 1.00 0.00 N ATOM 0 H LYS A 798 4.669 9.195 -0.309 1.00 0.00 H new ATOM 0 HA LYS A 798 4.347 11.613 -1.847 1.00 0.00 H new ATOM 0 HB2 LYS A 798 5.790 11.660 0.073 1.00 0.00 H new ATOM 0 HB3 LYS A 798 6.655 10.227 -0.446 1.00 0.00 H new ATOM 0 HG2 LYS A 798 7.411 11.588 -2.489 1.00 0.00 H new ATOM 0 HG3 LYS A 798 6.772 12.999 -1.670 1.00 0.00 H new ATOM 0 HD2 LYS A 798 8.813 11.123 -0.417 1.00 0.00 H new ATOM 0 HD3 LYS A 798 9.254 12.558 -1.320 1.00 0.00 H new ATOM 0 HE2 LYS A 798 8.007 13.980 0.258 1.00 0.00 H new ATOM 0 HE3 LYS A 798 7.440 12.567 1.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 798 9.321 13.582 2.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 798 9.738 12.028 1.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 798 10.287 13.397 0.852 1.00 0.00 H new ATOM 900 N TYR A 799 5.861 8.987 -3.117 1.00 0.00 N ATOM 901 CA TYR A 799 6.363 8.404 -4.356 1.00 0.00 C ATOM 902 C TYR A 799 5.226 7.798 -5.173 1.00 0.00 C ATOM 903 O TYR A 799 5.358 6.705 -5.725 1.00 0.00 O ATOM 904 CB TYR A 799 7.414 7.336 -4.052 1.00 0.00 C ATOM 905 CG TYR A 799 8.715 7.898 -3.525 1.00 0.00 C ATOM 906 CD1 TYR A 799 8.768 8.548 -2.298 1.00 0.00 C ATOM 907 CD2 TYR A 799 9.892 7.781 -4.255 1.00 0.00 C ATOM 908 CE1 TYR A 799 9.954 9.065 -1.814 1.00 0.00 C ATOM 909 CE2 TYR A 799 11.083 8.293 -3.778 1.00 0.00 C ATOM 910 CZ TYR A 799 11.108 8.934 -2.557 1.00 0.00 C ATOM 911 OH TYR A 799 12.293 9.446 -2.078 1.00 0.00 O ATOM 0 H TYR A 799 5.828 8.340 -2.330 1.00 0.00 H new ATOM 0 HA TYR A 799 6.823 9.200 -4.942 1.00 0.00 H new ATOM 0 HB2 TYR A 799 7.008 6.636 -3.321 1.00 0.00 H new ATOM 0 HB3 TYR A 799 7.615 6.768 -4.960 1.00 0.00 H new ATOM 0 HD1 TYR A 799 7.866 8.651 -1.713 1.00 0.00 H new ATOM 0 HD2 TYR A 799 9.875 7.281 -5.212 1.00 0.00 H new ATOM 0 HE1 TYR A 799 9.977 9.569 -0.859 1.00 0.00 H new ATOM 0 HE2 TYR A 799 11.989 8.192 -4.357 1.00 0.00 H new ATOM 0 HH TYR A 799 13.010 9.268 -2.722 1.00 0.00 H new ATOM 921 N ILE A 800 4.111 8.516 -5.245 1.00 0.00 N ATOM 922 CA ILE A 800 2.951 8.050 -5.996 1.00 0.00 C ATOM 923 C ILE A 800 2.046 9.214 -6.388 1.00 0.00 C ATOM 924 O ILE A 800 2.178 10.321 -5.865 1.00 0.00 O ATOM 925 CB ILE A 800 2.131 7.027 -5.188 1.00 0.00 C ATOM 926 CG1 ILE A 800 1.567 7.677 -3.923 1.00 0.00 C ATOM 927 CG2 ILE A 800 2.990 5.822 -4.834 1.00 0.00 C ATOM 928 CD1 ILE A 800 0.392 6.929 -3.333 1.00 0.00 C ATOM 0 H ILE A 800 3.986 9.422 -4.793 1.00 0.00 H new ATOM 0 HA ILE A 800 3.331 7.569 -6.897 1.00 0.00 H new ATOM 0 HB ILE A 800 1.296 6.686 -5.801 1.00 0.00 H new ATOM 0 HG12 ILE A 800 2.357 7.744 -3.175 1.00 0.00 H new ATOM 0 HG13 ILE A 800 1.259 8.697 -4.154 1.00 0.00 H new ATOM 0 HG21 ILE A 800 2.397 5.108 -4.263 1.00 0.00 H new ATOM 0 HG22 ILE A 800 3.347 5.348 -5.749 1.00 0.00 H new ATOM 0 HG23 ILE A 800 3.842 6.146 -4.236 1.00 0.00 H new ATOM 0 HD11 ILE A 800 0.043 7.446 -2.439 1.00 0.00 H new ATOM 0 HD12 ILE A 800 -0.415 6.884 -4.064 1.00 0.00 H new ATOM 0 HD13 ILE A 800 0.700 5.917 -3.070 1.00 0.00 H new ATOM 940 N THR A 801 1.125 8.955 -7.310 1.00 0.00 N ATOM 941 CA THR A 801 0.197 9.980 -7.772 1.00 0.00 C ATOM 942 C THR A 801 -1.228 9.443 -7.836 1.00 0.00 C ATOM 943 O THR A 801 -1.586 8.713 -8.762 1.00 0.00 O ATOM 944 CB THR A 801 0.595 10.514 -9.161 1.00 0.00 C ATOM 945 OG1 THR A 801 1.879 11.146 -9.093 1.00 0.00 O ATOM 946 CG2 THR A 801 -0.437 11.506 -9.676 1.00 0.00 C ATOM 0 H THR A 801 1.001 8.044 -7.752 1.00 0.00 H new ATOM 0 HA THR A 801 0.243 10.796 -7.051 1.00 0.00 H new ATOM 0 HB THR A 801 0.641 9.671 -9.851 1.00 0.00 H new ATOM 0 HG1 THR A 801 2.126 11.481 -9.980 1.00 0.00 H new ATOM 0 HG21 THR A 801 -0.134 11.869 -10.658 1.00 0.00 H new ATOM 0 HG22 THR A 801 -1.407 11.015 -9.754 1.00 0.00 H new ATOM 0 HG23 THR A 801 -0.510 12.346 -8.985 1.00 0.00 H new ATOM 954 N LEU A 802 -2.038 9.808 -6.849 1.00 0.00 N ATOM 955 CA LEU A 802 -3.426 9.363 -6.793 1.00 0.00 C ATOM 956 C LEU A 802 -4.239 9.972 -7.932 1.00 0.00 C ATOM 957 O LEU A 802 -3.943 11.060 -8.426 1.00 0.00 O ATOM 958 CB LEU A 802 -4.050 9.739 -5.448 1.00 0.00 C ATOM 959 CG LEU A 802 -3.398 9.122 -4.210 1.00 0.00 C ATOM 960 CD1 LEU A 802 -3.919 9.786 -2.946 1.00 0.00 C ATOM 961 CD2 LEU A 802 -3.648 7.621 -4.168 1.00 0.00 C ATOM 0 H LEU A 802 -1.758 10.411 -6.076 1.00 0.00 H new ATOM 0 HA LEU A 802 -3.438 8.278 -6.901 1.00 0.00 H new ATOM 0 HB2 LEU A 802 -4.021 10.824 -5.347 1.00 0.00 H new ATOM 0 HB3 LEU A 802 -5.101 9.449 -5.464 1.00 0.00 H new ATOM 0 HG LEU A 802 -2.323 9.290 -4.267 1.00 0.00 H new ATOM 0 HD11 LEU A 802 -3.444 9.334 -2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 802 -3.689 10.851 -2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 802 -4.999 9.650 -2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 802 -3.177 7.198 -3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 802 -4.721 7.432 -4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 802 -3.225 7.157 -5.059 1.00 0.00 H new ATOM 973 N PRO A 803 -5.290 9.255 -8.358 1.00 0.00 N ATOM 974 CA PRO A 803 -6.169 9.707 -9.440 1.00 0.00 C ATOM 975 C PRO A 803 -7.024 10.902 -9.033 1.00 0.00 C ATOM 976 O PRO A 803 -7.289 11.113 -7.850 1.00 0.00 O ATOM 977 CB PRO A 803 -7.052 8.486 -9.713 1.00 0.00 C ATOM 978 CG PRO A 803 -7.055 7.727 -8.431 1.00 0.00 C ATOM 979 CD PRO A 803 -5.702 7.950 -7.815 1.00 0.00 C ATOM 0 HA PRO A 803 -5.604 10.045 -10.309 1.00 0.00 H new ATOM 0 HB2 PRO A 803 -8.061 8.783 -10.000 1.00 0.00 H new ATOM 0 HB3 PRO A 803 -6.653 7.883 -10.529 1.00 0.00 H new ATOM 0 HG2 PRO A 803 -7.847 8.079 -7.771 1.00 0.00 H new ATOM 0 HG3 PRO A 803 -7.234 6.666 -8.606 1.00 0.00 H new ATOM 0 HD2 PRO A 803 -5.754 7.966 -6.726 1.00 0.00 H new ATOM 0 HD3 PRO A 803 -5.001 7.162 -8.089 1.00 0.00 H new