USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=10 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= -1.97 X(o=-2,f=-2.1) USER MOD Set 1.2: A 791 MET CE :methyl -172:sc= 0 (180deg=-0.0736) USER MOD Single : A 754 CYS SG : rot -95:sc= 1.35 USER MOD Single : A 757 TYR OH : rot 180:sc= 0 USER MOD Single : A 758 THR OG1 : rot 180:sc= 0 USER MOD Single : A 761 THR OG1 : rot 180:sc= -0.0328 USER MOD Single : A 763 GLN : amide:sc= -0.596 K(o=-0.6,f=-4.2!) USER MOD Single : A 766 SER OG : rot 18:sc= 0.371 USER MOD Single : A 776 HIS : no HD1:sc= -2.9! C(o=-2.9!,f=-2.8!) USER MOD Single : A 780 SER OG : rot 180:sc= -0.0228 USER MOD Single : A 781 SER OG : rot 180:sc= 0 USER MOD Single : A 789 ASN : amide:sc= -0.203 X(o=-0.2,f=0) USER MOD Single : A 797 HIS : no HD1:sc= -2! C(o=-2!,f=-9!) 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 Single : A 801 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 104 N VAL A 749 -8.325 1.436 -4.652 1.00 0.00 N ATOM 105 CA VAL A 749 -7.817 2.500 -5.510 1.00 0.00 C ATOM 106 C VAL A 749 -6.449 2.140 -6.080 1.00 0.00 C ATOM 107 O VAL A 749 -5.548 1.736 -5.347 1.00 0.00 O ATOM 108 CB VAL A 749 -7.708 3.833 -4.746 1.00 0.00 C ATOM 109 CG1 VAL A 749 -7.119 4.914 -5.640 1.00 0.00 C ATOM 110 CG2 VAL A 749 -9.070 4.254 -4.214 1.00 0.00 C ATOM 0 HA VAL A 749 -8.529 2.615 -6.327 1.00 0.00 H new ATOM 0 HB VAL A 749 -7.039 3.692 -3.897 1.00 0.00 H new ATOM 0 HG11 VAL A 749 -7.050 5.849 -5.083 1.00 0.00 H new ATOM 0 HG12 VAL A 749 -6.124 4.612 -5.968 1.00 0.00 H new ATOM 0 HG13 VAL A 749 -7.761 5.056 -6.510 1.00 0.00 H new ATOM 0 HG21 VAL A 749 -8.975 5.198 -3.677 1.00 0.00 H new ATOM 0 HG22 VAL A 749 -9.763 4.378 -5.046 1.00 0.00 H new ATOM 0 HG23 VAL A 749 -9.449 3.488 -3.537 1.00 0.00 H new ATOM 120 N GLU A 750 -6.303 2.292 -7.392 1.00 0.00 N ATOM 121 CA GLU A 750 -5.044 1.983 -8.061 1.00 0.00 C ATOM 122 C GLU A 750 -4.252 3.256 -8.346 1.00 0.00 C ATOM 123 O GLU A 750 -4.727 4.151 -9.043 1.00 0.00 O ATOM 124 CB GLU A 750 -5.306 1.229 -9.366 1.00 0.00 C ATOM 125 CG GLU A 750 -5.600 -0.249 -9.167 1.00 0.00 C ATOM 126 CD GLU A 750 -6.414 -0.839 -10.302 1.00 0.00 C ATOM 127 OE1 GLU A 750 -5.806 -1.299 -11.291 1.00 0.00 O ATOM 128 OE2 GLU A 750 -7.659 -0.841 -10.201 1.00 0.00 O ATOM 0 H GLU A 750 -7.040 2.627 -8.013 1.00 0.00 H new ATOM 0 HA GLU A 750 -4.455 1.351 -7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 750 -6.148 1.692 -9.881 1.00 0.00 H new ATOM 0 HB3 GLU A 750 -4.438 1.334 -10.017 1.00 0.00 H new ATOM 0 HG2 GLU A 750 -4.660 -0.794 -9.077 1.00 0.00 H new ATOM 0 HG3 GLU A 750 -6.138 -0.386 -8.229 1.00 0.00 H new ATOM 135 N ALA A 751 -3.042 3.328 -7.800 1.00 0.00 N ATOM 136 CA ALA A 751 -2.184 4.489 -7.996 1.00 0.00 C ATOM 137 C ALA A 751 -0.947 4.126 -8.812 1.00 0.00 C ATOM 138 O ALA A 751 -0.616 2.950 -8.966 1.00 0.00 O ATOM 139 CB ALA A 751 -1.779 5.079 -6.654 1.00 0.00 C ATOM 0 H ALA A 751 -2.635 2.596 -7.219 1.00 0.00 H new ATOM 0 HA ALA A 751 -2.748 5.237 -8.553 1.00 0.00 H new ATOM 0 HB1 ALA A 751 -1.138 5.946 -6.816 1.00 0.00 H new ATOM 0 HB2 ALA A 751 -2.671 5.384 -6.107 1.00 0.00 H new ATOM 0 HB3 ALA A 751 -1.237 4.330 -6.076 1.00 0.00 H new ATOM 145 N VAL A 752 -0.267 5.143 -9.332 1.00 0.00 N ATOM 146 CA VAL A 752 0.933 4.931 -10.131 1.00 0.00 C ATOM 147 C VAL A 752 2.183 5.359 -9.370 1.00 0.00 C ATOM 148 O VAL A 752 2.133 6.256 -8.529 1.00 0.00 O ATOM 149 CB VAL A 752 0.866 5.704 -11.462 1.00 0.00 C ATOM 150 CG1 VAL A 752 2.147 5.510 -12.258 1.00 0.00 C ATOM 151 CG2 VAL A 752 -0.346 5.267 -12.271 1.00 0.00 C ATOM 0 H VAL A 752 -0.527 6.122 -9.214 1.00 0.00 H new ATOM 0 HA VAL A 752 0.987 3.863 -10.342 1.00 0.00 H new ATOM 0 HB VAL A 752 0.763 6.766 -11.240 1.00 0.00 H new ATOM 0 HG11 VAL A 752 2.081 6.063 -13.195 1.00 0.00 H new ATOM 0 HG12 VAL A 752 2.994 5.877 -11.679 1.00 0.00 H new ATOM 0 HG13 VAL A 752 2.286 4.450 -12.472 1.00 0.00 H new ATOM 0 HG21 VAL A 752 -0.378 5.823 -13.208 1.00 0.00 H new ATOM 0 HG22 VAL A 752 -0.276 4.200 -12.484 1.00 0.00 H new ATOM 0 HG23 VAL A 752 -1.254 5.464 -11.701 1.00 0.00 H new ATOM 161 N ALA A 753 3.303 4.711 -9.671 1.00 0.00 N ATOM 162 CA ALA A 753 4.567 5.026 -9.017 1.00 0.00 C ATOM 163 C ALA A 753 5.285 6.167 -9.730 1.00 0.00 C ATOM 164 O ALA A 753 5.830 5.986 -10.820 1.00 0.00 O ATOM 165 CB ALA A 753 5.456 3.792 -8.965 1.00 0.00 C ATOM 0 H ALA A 753 3.361 3.965 -10.364 1.00 0.00 H new ATOM 0 HA ALA A 753 4.350 5.348 -7.998 1.00 0.00 H new ATOM 0 HB1 ALA A 753 6.397 4.042 -8.474 1.00 0.00 H new ATOM 0 HB2 ALA A 753 4.952 3.004 -8.405 1.00 0.00 H new ATOM 0 HB3 ALA A 753 5.657 3.445 -9.979 1.00 0.00 H new ATOM 171 N CYS A 754 5.280 7.342 -9.109 1.00 0.00 N ATOM 172 CA CYS A 754 5.929 8.514 -9.686 1.00 0.00 C ATOM 173 C CYS A 754 7.410 8.246 -9.938 1.00 0.00 C ATOM 174 O CYS A 754 7.948 8.614 -10.982 1.00 0.00 O ATOM 175 CB CYS A 754 5.767 9.720 -8.759 1.00 0.00 C ATOM 176 SG CYS A 754 6.149 11.306 -9.539 1.00 0.00 S ATOM 0 H CYS A 754 4.834 7.508 -8.207 1.00 0.00 H new ATOM 0 HA CYS A 754 5.450 8.732 -10.641 1.00 0.00 H new ATOM 0 HB2 CYS A 754 4.742 9.746 -8.390 1.00 0.00 H new ATOM 0 HB3 CYS A 754 6.414 9.588 -7.892 1.00 0.00 H new ATOM 0 HG CYS A 754 7.385 11.625 -9.291 1.00 0.00 H new ATOM 182 N PHE A 755 8.062 7.605 -8.974 1.00 0.00 N ATOM 183 CA PHE A 755 9.481 7.291 -9.091 1.00 0.00 C ATOM 184 C PHE A 755 9.768 5.878 -8.590 1.00 0.00 C ATOM 185 O PHE A 755 8.928 5.256 -7.941 1.00 0.00 O ATOM 186 CB PHE A 755 10.316 8.302 -8.302 1.00 0.00 C ATOM 187 CG PHE A 755 10.256 9.695 -8.862 1.00 0.00 C ATOM 188 CD1 PHE A 755 10.959 10.025 -10.010 1.00 0.00 C ATOM 189 CD2 PHE A 755 9.497 10.673 -8.241 1.00 0.00 C ATOM 190 CE1 PHE A 755 10.906 11.305 -10.527 1.00 0.00 C ATOM 191 CE2 PHE A 755 9.440 11.956 -8.754 1.00 0.00 C ATOM 192 CZ PHE A 755 10.145 12.272 -9.899 1.00 0.00 C ATOM 0 H PHE A 755 7.631 7.293 -8.104 1.00 0.00 H new ATOM 0 HA PHE A 755 9.754 7.348 -10.145 1.00 0.00 H new ATOM 0 HB2 PHE A 755 9.970 8.319 -7.268 1.00 0.00 H new ATOM 0 HB3 PHE A 755 11.354 7.970 -8.285 1.00 0.00 H new ATOM 0 HD1 PHE A 755 11.555 9.273 -10.506 1.00 0.00 H new ATOM 0 HD2 PHE A 755 8.943 10.431 -7.346 1.00 0.00 H new ATOM 0 HE1 PHE A 755 11.459 11.550 -11.422 1.00 0.00 H new ATOM 0 HE2 PHE A 755 8.845 12.710 -8.260 1.00 0.00 H new ATOM 0 HZ PHE A 755 10.101 13.273 -10.302 1.00 0.00 H new ATOM 202 N ALA A 756 10.960 5.378 -8.898 1.00 0.00 N ATOM 203 CA ALA A 756 11.359 4.040 -8.479 1.00 0.00 C ATOM 204 C ALA A 756 11.788 4.028 -7.016 1.00 0.00 C ATOM 205 O ALA A 756 12.675 4.781 -6.613 1.00 0.00 O ATOM 206 CB ALA A 756 12.483 3.523 -9.365 1.00 0.00 C ATOM 0 H ALA A 756 11.666 5.880 -9.436 1.00 0.00 H new ATOM 0 HA ALA A 756 10.497 3.381 -8.583 1.00 0.00 H new ATOM 0 HB1 ALA A 756 12.771 2.523 -9.041 1.00 0.00 H new ATOM 0 HB2 ALA A 756 12.142 3.485 -10.400 1.00 0.00 H new ATOM 0 HB3 ALA A 756 13.342 4.190 -9.290 1.00 0.00 H new ATOM 212 N TYR A 757 11.153 3.171 -6.225 1.00 0.00 N ATOM 213 CA TYR A 757 11.467 3.063 -4.806 1.00 0.00 C ATOM 214 C TYR A 757 11.946 1.657 -4.458 1.00 0.00 C ATOM 215 O TYR A 757 11.603 0.686 -5.134 1.00 0.00 O ATOM 216 CB TYR A 757 10.241 3.419 -3.963 1.00 0.00 C ATOM 217 CG TYR A 757 10.553 3.626 -2.498 1.00 0.00 C ATOM 218 CD1 TYR A 757 11.099 4.821 -2.046 1.00 0.00 C ATOM 219 CD2 TYR A 757 10.303 2.627 -1.566 1.00 0.00 C ATOM 220 CE1 TYR A 757 11.386 5.015 -0.708 1.00 0.00 C ATOM 221 CE2 TYR A 757 10.586 2.812 -0.226 1.00 0.00 C ATOM 222 CZ TYR A 757 11.128 4.008 0.197 1.00 0.00 C ATOM 223 OH TYR A 757 11.412 4.196 1.531 1.00 0.00 O ATOM 0 H TYR A 757 10.417 2.540 -6.543 1.00 0.00 H new ATOM 0 HA TYR A 757 12.270 3.766 -4.584 1.00 0.00 H new ATOM 0 HB2 TYR A 757 9.788 4.327 -4.361 1.00 0.00 H new ATOM 0 HB3 TYR A 757 9.501 2.625 -4.060 1.00 0.00 H new ATOM 0 HD1 TYR A 757 11.303 5.612 -2.752 1.00 0.00 H new ATOM 0 HD2 TYR A 757 9.880 1.689 -1.894 1.00 0.00 H new ATOM 0 HE1 TYR A 757 11.810 5.950 -0.374 1.00 0.00 H new ATOM 0 HE2 TYR A 757 10.384 2.025 0.486 1.00 0.00 H new ATOM 0 HH TYR A 757 11.170 3.390 2.034 1.00 0.00 H new ATOM 233 N THR A 758 12.742 1.555 -3.398 1.00 0.00 N ATOM 234 CA THR A 758 13.270 0.269 -2.960 1.00 0.00 C ATOM 235 C THR A 758 13.010 0.046 -1.475 1.00 0.00 C ATOM 236 O THR A 758 13.827 0.408 -0.630 1.00 0.00 O ATOM 237 CB THR A 758 14.783 0.163 -3.226 1.00 0.00 C ATOM 238 OG1 THR A 758 15.041 0.252 -4.632 1.00 0.00 O ATOM 239 CG2 THR A 758 15.337 -1.147 -2.686 1.00 0.00 C ATOM 0 H THR A 758 13.035 2.348 -2.827 1.00 0.00 H new ATOM 0 HA THR A 758 12.753 -0.498 -3.536 1.00 0.00 H new ATOM 0 HB THR A 758 15.278 0.988 -2.713 1.00 0.00 H new ATOM 0 HG1 THR A 758 16.005 0.185 -4.792 1.00 0.00 H new ATOM 0 HG21 THR A 758 16.407 -1.199 -2.886 1.00 0.00 H new ATOM 0 HG22 THR A 758 15.165 -1.199 -1.611 1.00 0.00 H new ATOM 0 HG23 THR A 758 14.836 -1.983 -3.174 1.00 0.00 H new ATOM 247 N GLY A 759 11.865 -0.555 -1.162 1.00 0.00 N ATOM 248 CA GLY A 759 11.518 -0.817 0.222 1.00 0.00 C ATOM 249 C GLY A 759 12.731 -1.143 1.072 1.00 0.00 C ATOM 250 O GLY A 759 13.557 -1.974 0.693 1.00 0.00 O ATOM 0 H GLY A 759 11.172 -0.865 -1.843 1.00 0.00 H new ATOM 0 HA2 GLY A 759 11.010 0.054 0.637 1.00 0.00 H new ATOM 0 HA3 GLY A 759 10.814 -1.648 0.266 1.00 0.00 H new ATOM 254 N ARG A 760 12.839 -0.487 2.222 1.00 0.00 N ATOM 255 CA ARG A 760 13.961 -0.710 3.126 1.00 0.00 C ATOM 256 C ARG A 760 13.836 -2.060 3.825 1.00 0.00 C ATOM 257 O ARG A 760 14.811 -2.802 3.947 1.00 0.00 O ATOM 258 CB ARG A 760 14.036 0.410 4.166 1.00 0.00 C ATOM 259 CG ARG A 760 14.768 1.648 3.676 1.00 0.00 C ATOM 260 CD ARG A 760 13.966 2.387 2.617 1.00 0.00 C ATOM 261 NE ARG A 760 14.813 3.233 1.780 1.00 0.00 N ATOM 262 CZ ARG A 760 15.197 4.457 2.124 1.00 0.00 C ATOM 263 NH1 ARG A 760 14.812 4.975 3.282 1.00 0.00 N ATOM 264 NH2 ARG A 760 15.968 5.165 1.309 1.00 0.00 N ATOM 0 H ARG A 760 12.164 0.203 2.550 1.00 0.00 H new ATOM 0 HA ARG A 760 14.877 -0.710 2.535 1.00 0.00 H new ATOM 0 HB2 ARG A 760 13.024 0.689 4.460 1.00 0.00 H new ATOM 0 HB3 ARG A 760 14.535 0.033 5.059 1.00 0.00 H new ATOM 0 HG2 ARG A 760 14.962 2.314 4.517 1.00 0.00 H new ATOM 0 HG3 ARG A 760 15.736 1.361 3.266 1.00 0.00 H new ATOM 0 HD2 ARG A 760 13.442 1.666 1.990 1.00 0.00 H new ATOM 0 HD3 ARG A 760 13.206 3.001 3.101 1.00 0.00 H new ATOM 0 HE ARG A 760 15.127 2.864 0.882 1.00 0.00 H new ATOM 0 HH11 ARG A 760 14.219 4.433 3.911 1.00 0.00 H new ATOM 0 HH12 ARG A 760 15.108 5.915 3.544 1.00 0.00 H new ATOM 0 HH21 ARG A 760 16.266 4.769 0.417 1.00 0.00 H new ATOM 0 HH22 ARG A 760 16.262 6.105 1.574 1.00 0.00 H new ATOM 278 N THR A 761 12.628 -2.374 4.285 1.00 0.00 N ATOM 279 CA THR A 761 12.375 -3.633 4.973 1.00 0.00 C ATOM 280 C THR A 761 11.198 -4.374 4.349 1.00 0.00 C ATOM 281 O THR A 761 10.527 -3.854 3.458 1.00 0.00 O ATOM 282 CB THR A 761 12.091 -3.408 6.470 1.00 0.00 C ATOM 283 OG1 THR A 761 10.872 -2.675 6.632 1.00 0.00 O ATOM 284 CG2 THR A 761 13.234 -2.654 7.131 1.00 0.00 C ATOM 0 H THR A 761 11.810 -1.772 4.193 1.00 0.00 H new ATOM 0 HA THR A 761 13.277 -4.237 4.869 1.00 0.00 H new ATOM 0 HB THR A 761 11.995 -4.382 6.949 1.00 0.00 H new ATOM 0 HG1 THR A 761 10.698 -2.537 7.586 1.00 0.00 H new ATOM 0 HG21 THR A 761 13.010 -2.507 8.188 1.00 0.00 H new ATOM 0 HG22 THR A 761 14.155 -3.229 7.032 1.00 0.00 H new ATOM 0 HG23 THR A 761 13.358 -1.685 6.648 1.00 0.00 H new ATOM 292 N ALA A 762 10.951 -5.591 4.824 1.00 0.00 N ATOM 293 CA ALA A 762 9.853 -6.401 4.315 1.00 0.00 C ATOM 294 C ALA A 762 8.545 -5.617 4.316 1.00 0.00 C ATOM 295 O ALA A 762 7.779 -5.669 3.355 1.00 0.00 O ATOM 296 CB ALA A 762 9.709 -7.673 5.138 1.00 0.00 C ATOM 0 H ALA A 762 11.497 -6.037 5.561 1.00 0.00 H new ATOM 0 HA ALA A 762 10.082 -6.672 3.285 1.00 0.00 H new ATOM 0 HB1 ALA A 762 8.884 -8.269 4.746 1.00 0.00 H new ATOM 0 HB2 ALA A 762 10.632 -8.250 5.081 1.00 0.00 H new ATOM 0 HB3 ALA A 762 9.507 -7.413 6.177 1.00 0.00 H new ATOM 302 N GLN A 763 8.296 -4.893 5.402 1.00 0.00 N ATOM 303 CA GLN A 763 7.080 -4.099 5.529 1.00 0.00 C ATOM 304 C GLN A 763 6.869 -3.226 4.296 1.00 0.00 C ATOM 305 O GLN A 763 5.782 -3.201 3.720 1.00 0.00 O ATOM 306 CB GLN A 763 7.143 -3.225 6.783 1.00 0.00 C ATOM 307 CG GLN A 763 6.600 -3.907 8.028 1.00 0.00 C ATOM 308 CD GLN A 763 5.086 -3.985 8.037 1.00 0.00 C ATOM 309 OE1 GLN A 763 4.464 -4.320 7.028 1.00 0.00 O ATOM 310 NE2 GLN A 763 4.484 -3.675 9.179 1.00 0.00 N ATOM 0 H GLN A 763 8.920 -4.840 6.207 1.00 0.00 H new ATOM 0 HA GLN A 763 6.237 -4.784 5.616 1.00 0.00 H new ATOM 0 HB2 GLN A 763 8.178 -2.933 6.961 1.00 0.00 H new ATOM 0 HB3 GLN A 763 6.580 -2.309 6.606 1.00 0.00 H new ATOM 0 HG2 GLN A 763 7.012 -4.914 8.095 1.00 0.00 H new ATOM 0 HG3 GLN A 763 6.937 -3.365 8.911 1.00 0.00 H new ATOM 0 HE21 GLN A 763 5.039 -3.403 9.990 1.00 0.00 H new ATOM 0 HE22 GLN A 763 3.467 -3.709 9.245 1.00 0.00 H new ATOM 319 N GLU A 764 7.916 -2.510 3.898 1.00 0.00 N ATOM 320 CA GLU A 764 7.845 -1.635 2.734 1.00 0.00 C ATOM 321 C GLU A 764 7.851 -2.446 1.442 1.00 0.00 C ATOM 322 O GLU A 764 8.298 -3.593 1.417 1.00 0.00 O ATOM 323 CB GLU A 764 9.015 -0.650 2.736 1.00 0.00 C ATOM 324 CG GLU A 764 9.005 0.306 3.917 1.00 0.00 C ATOM 325 CD GLU A 764 9.601 -0.307 5.169 1.00 0.00 C ATOM 326 OE1 GLU A 764 8.844 -0.927 5.945 1.00 0.00 O ATOM 327 OE2 GLU A 764 10.825 -0.167 5.372 1.00 0.00 O ATOM 0 H GLU A 764 8.823 -2.519 4.364 1.00 0.00 H new ATOM 0 HA GLU A 764 6.910 -1.077 2.788 1.00 0.00 H new ATOM 0 HB2 GLU A 764 9.950 -1.210 2.741 1.00 0.00 H new ATOM 0 HB3 GLU A 764 8.994 -0.072 1.812 1.00 0.00 H new ATOM 0 HG2 GLU A 764 9.563 1.205 3.656 1.00 0.00 H new ATOM 0 HG3 GLU A 764 7.980 0.615 4.121 1.00 0.00 H new ATOM 334 N LEU A 765 7.350 -1.842 0.369 1.00 0.00 N ATOM 335 CA LEU A 765 7.297 -2.508 -0.928 1.00 0.00 C ATOM 336 C LEU A 765 8.212 -1.816 -1.933 1.00 0.00 C ATOM 337 O LEU A 765 8.623 -0.674 -1.730 1.00 0.00 O ATOM 338 CB LEU A 765 5.861 -2.524 -1.456 1.00 0.00 C ATOM 339 CG LEU A 765 4.919 -3.539 -0.808 1.00 0.00 C ATOM 340 CD1 LEU A 765 3.475 -3.237 -1.174 1.00 0.00 C ATOM 341 CD2 LEU A 765 5.292 -4.955 -1.225 1.00 0.00 C ATOM 0 H LEU A 765 6.975 -0.893 0.372 1.00 0.00 H new ATOM 0 HA LEU A 765 7.642 -3.534 -0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 765 5.436 -1.529 -1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 765 5.891 -2.719 -2.528 1.00 0.00 H new ATOM 0 HG LEU A 765 5.022 -3.461 0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 765 2.820 -3.970 -0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 765 3.212 -2.238 -0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 765 3.356 -3.286 -2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 765 4.611 -5.664 -0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 765 5.219 -5.046 -2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 765 6.313 -5.170 -0.911 1.00 0.00 H new ATOM 353 N SER A 766 8.527 -2.516 -3.019 1.00 0.00 N ATOM 354 CA SER A 766 9.395 -1.970 -4.055 1.00 0.00 C ATOM 355 C SER A 766 8.707 -2.010 -5.416 1.00 0.00 C ATOM 356 O SER A 766 7.907 -2.903 -5.695 1.00 0.00 O ATOM 357 CB SER A 766 10.710 -2.750 -4.112 1.00 0.00 C ATOM 358 OG SER A 766 11.693 -2.041 -4.846 1.00 0.00 O ATOM 0 H SER A 766 8.194 -3.462 -3.204 1.00 0.00 H new ATOM 0 HA SER A 766 9.608 -0.931 -3.805 1.00 0.00 H new ATOM 0 HB2 SER A 766 11.071 -2.935 -3.100 1.00 0.00 H new ATOM 0 HB3 SER A 766 10.539 -3.723 -4.573 1.00 0.00 H new ATOM 0 HG SER A 766 11.434 -1.098 -4.914 1.00 0.00 H new ATOM 364 N PHE A 767 9.025 -1.034 -6.261 1.00 0.00 N ATOM 365 CA PHE A 767 8.438 -0.956 -7.594 1.00 0.00 C ATOM 366 C PHE A 767 9.164 0.080 -8.448 1.00 0.00 C ATOM 367 O PHE A 767 9.841 0.966 -7.926 1.00 0.00 O ATOM 368 CB PHE A 767 6.952 -0.605 -7.500 1.00 0.00 C ATOM 369 CG PHE A 767 6.657 0.499 -6.525 1.00 0.00 C ATOM 370 CD1 PHE A 767 7.037 1.803 -6.800 1.00 0.00 C ATOM 371 CD2 PHE A 767 6.001 0.233 -5.334 1.00 0.00 C ATOM 372 CE1 PHE A 767 6.767 2.822 -5.906 1.00 0.00 C ATOM 373 CE2 PHE A 767 5.728 1.248 -4.437 1.00 0.00 C ATOM 374 CZ PHE A 767 6.112 2.544 -4.722 1.00 0.00 C ATOM 0 H PHE A 767 9.685 -0.287 -6.046 1.00 0.00 H new ATOM 0 HA PHE A 767 8.544 -1.931 -8.069 1.00 0.00 H new ATOM 0 HB2 PHE A 767 6.593 -0.313 -8.487 1.00 0.00 H new ATOM 0 HB3 PHE A 767 6.394 -1.495 -7.208 1.00 0.00 H new ATOM 0 HD1 PHE A 767 7.550 2.026 -7.724 1.00 0.00 H new ATOM 0 HD2 PHE A 767 5.700 -0.778 -5.104 1.00 0.00 H new ATOM 0 HE1 PHE A 767 7.068 3.834 -6.133 1.00 0.00 H new ATOM 0 HE2 PHE A 767 5.214 1.028 -3.513 1.00 0.00 H new ATOM 0 HZ PHE A 767 5.901 3.338 -4.021 1.00 0.00 H new ATOM 384 N ARG A 768 9.017 -0.039 -9.763 1.00 0.00 N ATOM 385 CA ARG A 768 9.659 0.886 -10.690 1.00 0.00 C ATOM 386 C ARG A 768 8.653 1.898 -11.232 1.00 0.00 C ATOM 387 O ARG A 768 7.499 1.561 -11.495 1.00 0.00 O ATOM 388 CB ARG A 768 10.300 0.118 -11.847 1.00 0.00 C ATOM 389 CG ARG A 768 11.694 -0.402 -11.535 1.00 0.00 C ATOM 390 CD ARG A 768 11.640 -1.725 -10.787 1.00 0.00 C ATOM 391 NE ARG A 768 12.873 -1.987 -10.049 1.00 0.00 N ATOM 392 CZ ARG A 768 13.091 -3.097 -9.353 1.00 0.00 C ATOM 393 NH1 ARG A 768 12.163 -4.044 -9.301 1.00 0.00 N ATOM 394 NH2 ARG A 768 14.238 -3.263 -8.708 1.00 0.00 N ATOM 0 H ARG A 768 8.459 -0.766 -10.211 1.00 0.00 H new ATOM 0 HA ARG A 768 10.435 1.426 -10.147 1.00 0.00 H new ATOM 0 HB2 ARG A 768 9.659 -0.723 -12.113 1.00 0.00 H new ATOM 0 HB3 ARG A 768 10.351 0.769 -12.720 1.00 0.00 H new ATOM 0 HG2 ARG A 768 12.252 -0.530 -12.463 1.00 0.00 H new ATOM 0 HG3 ARG A 768 12.233 0.333 -10.937 1.00 0.00 H new ATOM 0 HD2 ARG A 768 10.798 -1.716 -10.095 1.00 0.00 H new ATOM 0 HD3 ARG A 768 11.462 -2.535 -11.495 1.00 0.00 H new ATOM 0 HE ARG A 768 13.607 -1.279 -10.069 1.00 0.00 H new ATOM 0 HH11 ARG A 768 11.280 -3.920 -9.796 1.00 0.00 H new ATOM 0 HH12 ARG A 768 12.333 -4.896 -8.766 1.00 0.00 H new ATOM 0 HH21 ARG A 768 14.954 -2.538 -8.746 1.00 0.00 H new ATOM 0 HH22 ARG A 768 14.404 -4.116 -8.174 1.00 0.00 H new ATOM 408 N ARG A 769 9.101 3.138 -11.396 1.00 0.00 N ATOM 409 CA ARG A 769 8.240 4.200 -11.905 1.00 0.00 C ATOM 410 C ARG A 769 7.251 3.653 -12.930 1.00 0.00 C ATOM 411 O ARG A 769 7.636 2.966 -13.875 1.00 0.00 O ATOM 412 CB ARG A 769 9.083 5.310 -12.536 1.00 0.00 C ATOM 413 CG ARG A 769 8.259 6.468 -13.074 1.00 0.00 C ATOM 414 CD ARG A 769 7.871 6.248 -14.528 1.00 0.00 C ATOM 415 NE ARG A 769 8.985 6.507 -15.436 1.00 0.00 N ATOM 416 CZ ARG A 769 8.842 6.677 -16.746 1.00 0.00 C ATOM 417 NH1 ARG A 769 7.637 6.617 -17.297 1.00 0.00 N ATOM 418 NH2 ARG A 769 9.904 6.909 -17.507 1.00 0.00 N ATOM 0 H ARG A 769 10.054 3.433 -11.184 1.00 0.00 H new ATOM 0 HA ARG A 769 7.678 4.612 -11.067 1.00 0.00 H new ATOM 0 HB2 ARG A 769 9.785 5.689 -11.793 1.00 0.00 H new ATOM 0 HB3 ARG A 769 9.675 4.888 -13.348 1.00 0.00 H new ATOM 0 HG2 ARG A 769 7.359 6.587 -12.470 1.00 0.00 H new ATOM 0 HG3 ARG A 769 8.828 7.393 -12.984 1.00 0.00 H new ATOM 0 HD2 ARG A 769 7.526 5.222 -14.660 1.00 0.00 H new ATOM 0 HD3 ARG A 769 7.036 6.900 -14.783 1.00 0.00 H new ATOM 0 HE ARG A 769 9.925 6.560 -15.043 1.00 0.00 H new ATOM 0 HH11 ARG A 769 6.818 6.440 -16.715 1.00 0.00 H new ATOM 0 HH12 ARG A 769 7.529 6.748 -18.303 1.00 0.00 H new ATOM 0 HH21 ARG A 769 10.832 6.957 -17.086 1.00 0.00 H new ATOM 0 HH22 ARG A 769 9.792 7.039 -18.512 1.00 0.00 H new ATOM 432 N GLY A 770 5.972 3.962 -12.735 1.00 0.00 N ATOM 433 CA GLY A 770 4.948 3.493 -13.650 1.00 0.00 C ATOM 434 C GLY A 770 4.197 2.291 -13.112 1.00 0.00 C ATOM 435 O GLY A 770 2.982 2.185 -13.278 1.00 0.00 O ATOM 0 H GLY A 770 5.627 4.528 -11.960 1.00 0.00 H new ATOM 0 HA2 GLY A 770 4.243 4.301 -13.846 1.00 0.00 H new ATOM 0 HA3 GLY A 770 5.408 3.233 -14.603 1.00 0.00 H new ATOM 439 N ASP A 771 4.921 1.383 -12.468 1.00 0.00 N ATOM 440 CA ASP A 771 4.316 0.182 -11.904 1.00 0.00 C ATOM 441 C ASP A 771 3.148 0.539 -10.991 1.00 0.00 C ATOM 442 O ASP A 771 3.337 1.114 -9.920 1.00 0.00 O ATOM 443 CB ASP A 771 5.359 -0.624 -11.128 1.00 0.00 C ATOM 444 CG ASP A 771 6.430 -1.206 -12.029 1.00 0.00 C ATOM 445 OD1 ASP A 771 6.772 -0.558 -13.040 1.00 0.00 O ATOM 446 OD2 ASP A 771 6.926 -2.311 -11.723 1.00 0.00 O ATOM 0 H ASP A 771 5.928 1.456 -12.323 1.00 0.00 H new ATOM 0 HA ASP A 771 3.938 -0.425 -12.727 1.00 0.00 H new ATOM 0 HB2 ASP A 771 5.826 0.017 -10.380 1.00 0.00 H new ATOM 0 HB3 ASP A 771 4.863 -1.432 -10.590 1.00 0.00 H new ATOM 451 N VAL A 772 1.939 0.195 -11.424 1.00 0.00 N ATOM 452 CA VAL A 772 0.739 0.479 -10.646 1.00 0.00 C ATOM 453 C VAL A 772 0.734 -0.305 -9.338 1.00 0.00 C ATOM 454 O VAL A 772 1.338 -1.374 -9.239 1.00 0.00 O ATOM 455 CB VAL A 772 -0.538 0.141 -11.439 1.00 0.00 C ATOM 456 CG1 VAL A 772 -1.776 0.397 -10.593 1.00 0.00 C ATOM 457 CG2 VAL A 772 -0.589 0.941 -12.731 1.00 0.00 C ATOM 0 H VAL A 772 1.765 -0.281 -12.309 1.00 0.00 H new ATOM 0 HA VAL A 772 0.749 1.547 -10.427 1.00 0.00 H new ATOM 0 HB VAL A 772 -0.516 -0.918 -11.695 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -2.668 0.153 -11.170 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -1.741 -0.225 -9.699 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -1.808 1.447 -10.303 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -1.497 0.690 -13.279 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -0.587 2.006 -12.500 1.00 0.00 H new ATOM 0 HG23 VAL A 772 0.281 0.701 -13.342 1.00 0.00 H new ATOM 467 N LEU A 773 0.048 0.233 -8.335 1.00 0.00 N ATOM 468 CA LEU A 773 -0.037 -0.416 -7.031 1.00 0.00 C ATOM 469 C LEU A 773 -1.436 -0.270 -6.441 1.00 0.00 C ATOM 470 O LEU A 773 -1.958 0.838 -6.322 1.00 0.00 O ATOM 471 CB LEU A 773 0.997 0.181 -6.075 1.00 0.00 C ATOM 472 CG LEU A 773 2.319 0.621 -6.705 1.00 0.00 C ATOM 473 CD1 LEU A 773 2.999 1.672 -5.840 1.00 0.00 C ATOM 474 CD2 LEU A 773 3.236 -0.576 -6.912 1.00 0.00 C ATOM 0 H LEU A 773 -0.457 1.117 -8.400 1.00 0.00 H new ATOM 0 HA LEU A 773 0.172 -1.477 -7.166 1.00 0.00 H new ATOM 0 HB2 LEU A 773 0.549 1.043 -5.580 1.00 0.00 H new ATOM 0 HB3 LEU A 773 1.214 -0.555 -5.301 1.00 0.00 H new ATOM 0 HG LEU A 773 2.106 1.063 -7.678 1.00 0.00 H new ATOM 0 HD11 LEU A 773 3.938 1.973 -6.304 1.00 0.00 H new ATOM 0 HD12 LEU A 773 2.347 2.540 -5.743 1.00 0.00 H new ATOM 0 HD13 LEU A 773 3.199 1.256 -4.852 1.00 0.00 H new ATOM 0 HD21 LEU A 773 4.172 -0.244 -7.361 1.00 0.00 H new ATOM 0 HD22 LEU A 773 3.442 -1.047 -5.951 1.00 0.00 H new ATOM 0 HD23 LEU A 773 2.752 -1.295 -7.572 1.00 0.00 H new ATOM 486 N ARG A 774 -2.036 -1.397 -6.071 1.00 0.00 N ATOM 487 CA ARG A 774 -3.374 -1.395 -5.491 1.00 0.00 C ATOM 488 C ARG A 774 -3.330 -0.979 -4.024 1.00 0.00 C ATOM 489 O ARG A 774 -2.621 -1.581 -3.217 1.00 0.00 O ATOM 490 CB ARG A 774 -4.011 -2.780 -5.621 1.00 0.00 C ATOM 491 CG ARG A 774 -4.298 -3.186 -7.057 1.00 0.00 C ATOM 492 CD ARG A 774 -5.420 -4.210 -7.133 1.00 0.00 C ATOM 493 NE ARG A 774 -4.946 -5.563 -6.858 1.00 0.00 N ATOM 494 CZ ARG A 774 -4.363 -6.337 -7.767 1.00 0.00 C ATOM 495 NH1 ARG A 774 -4.183 -5.892 -9.003 1.00 0.00 N ATOM 496 NH2 ARG A 774 -3.958 -7.557 -7.440 1.00 0.00 N ATOM 0 H ARG A 774 -1.617 -2.322 -6.162 1.00 0.00 H new ATOM 0 HA ARG A 774 -3.979 -0.672 -6.038 1.00 0.00 H new ATOM 0 HB2 ARG A 774 -3.349 -3.519 -5.169 1.00 0.00 H new ATOM 0 HB3 ARG A 774 -4.942 -2.797 -5.055 1.00 0.00 H new ATOM 0 HG2 ARG A 774 -4.568 -2.305 -7.638 1.00 0.00 H new ATOM 0 HG3 ARG A 774 -3.395 -3.600 -7.507 1.00 0.00 H new ATOM 0 HD2 ARG A 774 -6.200 -3.947 -6.418 1.00 0.00 H new ATOM 0 HD3 ARG A 774 -5.872 -4.179 -8.124 1.00 0.00 H new ATOM 0 HE ARG A 774 -5.069 -5.935 -5.916 1.00 0.00 H new ATOM 0 HH11 ARG A 774 -4.492 -4.954 -9.257 1.00 0.00 H new ATOM 0 HH12 ARG A 774 -3.735 -6.488 -9.699 1.00 0.00 H new ATOM 0 HH21 ARG A 774 -4.094 -7.902 -6.490 1.00 0.00 H new ATOM 0 HH22 ARG A 774 -3.511 -8.150 -8.139 1.00 0.00 H new ATOM 510 N LEU A 775 -4.093 0.055 -3.685 1.00 0.00 N ATOM 511 CA LEU A 775 -4.141 0.553 -2.314 1.00 0.00 C ATOM 512 C LEU A 775 -5.234 -0.152 -1.518 1.00 0.00 C ATOM 513 O LEU A 775 -6.366 0.327 -1.438 1.00 0.00 O ATOM 514 CB LEU A 775 -4.383 2.063 -2.308 1.00 0.00 C ATOM 515 CG LEU A 775 -3.436 2.898 -3.170 1.00 0.00 C ATOM 516 CD1 LEU A 775 -3.821 4.368 -3.117 1.00 0.00 C ATOM 517 CD2 LEU A 775 -1.995 2.706 -2.719 1.00 0.00 C ATOM 0 H LEU A 775 -4.686 0.564 -4.340 1.00 0.00 H new ATOM 0 HA LEU A 775 -3.181 0.343 -1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 775 -5.404 2.248 -2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 775 -4.314 2.418 -1.280 1.00 0.00 H new ATOM 0 HG LEU A 775 -3.521 2.558 -4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 775 -3.136 4.946 -3.737 1.00 0.00 H new ATOM 0 HD12 LEU A 775 -4.838 4.491 -3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 775 -3.766 4.722 -2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 775 -1.335 3.308 -3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 775 -1.895 3.018 -1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 775 -1.722 1.655 -2.810 1.00 0.00 H new ATOM 529 N HIS A 776 -4.888 -1.291 -0.927 1.00 0.00 N ATOM 530 CA HIS A 776 -5.839 -2.061 -0.133 1.00 0.00 C ATOM 531 C HIS A 776 -6.402 -1.219 1.008 1.00 0.00 C ATOM 532 O HIS A 776 -7.605 -1.233 1.267 1.00 0.00 O ATOM 533 CB HIS A 776 -5.170 -3.317 0.427 1.00 0.00 C ATOM 534 CG HIS A 776 -4.692 -4.263 -0.631 1.00 0.00 C ATOM 535 ND1 HIS A 776 -4.619 -5.627 -0.444 1.00 0.00 N ATOM 536 CD2 HIS A 776 -4.262 -4.035 -1.894 1.00 0.00 C ATOM 537 CE1 HIS A 776 -4.163 -6.197 -1.545 1.00 0.00 C ATOM 538 NE2 HIS A 776 -3.940 -5.252 -2.441 1.00 0.00 N ATOM 0 H HIS A 776 -3.956 -1.701 -0.983 1.00 0.00 H new ATOM 0 HA HIS A 776 -6.662 -2.356 -0.784 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -4.324 -3.022 1.048 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -5.876 -3.836 1.075 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -4.186 -3.074 -2.381 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -4.000 -7.255 -1.688 1.00 0.00 H new ATOM 0 HE2 HIS A 776 -3.586 -5.402 -3.386 1.00 0.00 H new ATOM 546 N GLU A 777 -5.523 -0.487 1.686 1.00 0.00 N ATOM 547 CA GLU A 777 -5.934 0.360 2.800 1.00 0.00 C ATOM 548 C GLU A 777 -4.988 1.547 2.958 1.00 0.00 C ATOM 549 O GLU A 777 -3.875 1.542 2.431 1.00 0.00 O ATOM 550 CB GLU A 777 -5.974 -0.450 4.097 1.00 0.00 C ATOM 551 CG GLU A 777 -7.037 0.021 5.076 1.00 0.00 C ATOM 552 CD GLU A 777 -8.438 -0.373 4.650 1.00 0.00 C ATOM 553 OE1 GLU A 777 -8.804 -1.553 4.831 1.00 0.00 O ATOM 554 OE2 GLU A 777 -9.168 0.500 4.135 1.00 0.00 O ATOM 0 H GLU A 777 -4.524 -0.463 1.484 1.00 0.00 H new ATOM 0 HA GLU A 777 -6.933 0.739 2.586 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -6.153 -1.498 3.856 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -4.998 -0.396 4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -6.830 -0.397 6.061 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -6.982 1.105 5.172 1.00 0.00 H new ATOM 561 N ARG A 778 -5.440 2.563 3.686 1.00 0.00 N ATOM 562 CA ARG A 778 -4.636 3.758 3.912 1.00 0.00 C ATOM 563 C ARG A 778 -3.921 3.686 5.258 1.00 0.00 C ATOM 564 O ARG A 778 -4.383 4.250 6.249 1.00 0.00 O ATOM 565 CB ARG A 778 -5.516 5.009 3.856 1.00 0.00 C ATOM 566 CG ARG A 778 -4.793 6.281 4.269 1.00 0.00 C ATOM 567 CD ARG A 778 -4.113 6.945 3.082 1.00 0.00 C ATOM 568 NE ARG A 778 -3.864 8.364 3.317 1.00 0.00 N ATOM 569 CZ ARG A 778 -4.779 9.310 3.137 1.00 0.00 C ATOM 570 NH1 ARG A 778 -5.996 8.990 2.722 1.00 0.00 N ATOM 571 NH2 ARG A 778 -4.476 10.581 3.373 1.00 0.00 N ATOM 0 H ARG A 778 -6.358 2.582 4.129 1.00 0.00 H new ATOM 0 HA ARG A 778 -3.885 3.814 3.124 1.00 0.00 H new ATOM 0 HB2 ARG A 778 -5.896 5.130 2.842 1.00 0.00 H new ATOM 0 HB3 ARG A 778 -6.380 4.865 4.505 1.00 0.00 H new ATOM 0 HG2 ARG A 778 -5.503 6.975 4.718 1.00 0.00 H new ATOM 0 HG3 ARG A 778 -4.050 6.047 5.032 1.00 0.00 H new ATOM 0 HD2 ARG A 778 -3.169 6.441 2.876 1.00 0.00 H new ATOM 0 HD3 ARG A 778 -4.736 6.828 2.195 1.00 0.00 H new ATOM 0 HE ARG A 778 -2.937 8.644 3.637 1.00 0.00 H new ATOM 0 HH11 ARG A 778 -6.233 8.015 2.540 1.00 0.00 H new ATOM 0 HH12 ARG A 778 -6.696 9.719 2.585 1.00 0.00 H new ATOM 0 HH21 ARG A 778 -3.540 10.831 3.693 1.00 0.00 H new ATOM 0 HH22 ARG A 778 -5.179 11.307 3.235 1.00 0.00 H new ATOM 585 N ALA A 779 -2.791 2.986 5.284 1.00 0.00 N ATOM 586 CA ALA A 779 -2.012 2.841 6.507 1.00 0.00 C ATOM 587 C ALA A 779 -1.888 4.172 7.241 1.00 0.00 C ATOM 588 O ALA A 779 -2.323 4.304 8.385 1.00 0.00 O ATOM 589 CB ALA A 779 -0.633 2.281 6.191 1.00 0.00 C ATOM 0 H ALA A 779 -2.395 2.511 4.473 1.00 0.00 H new ATOM 0 HA ALA A 779 -2.535 2.143 7.160 1.00 0.00 H new ATOM 0 HB1 ALA A 779 -0.062 2.178 7.114 1.00 0.00 H new ATOM 0 HB2 ALA A 779 -0.737 1.305 5.717 1.00 0.00 H new ATOM 0 HB3 ALA A 779 -0.111 2.959 5.515 1.00 0.00 H new ATOM 595 N SER A 780 -1.293 5.157 6.576 1.00 0.00 N ATOM 596 CA SER A 780 -1.108 6.477 7.167 1.00 0.00 C ATOM 597 C SER A 780 -1.317 7.572 6.126 1.00 0.00 C ATOM 598 O SER A 780 -1.566 7.291 4.954 1.00 0.00 O ATOM 599 CB SER A 780 0.291 6.596 7.776 1.00 0.00 C ATOM 600 OG SER A 780 0.392 7.742 8.602 1.00 0.00 O ATOM 0 H SER A 780 -0.931 5.066 5.627 1.00 0.00 H new ATOM 0 HA SER A 780 -1.851 6.602 7.955 1.00 0.00 H new ATOM 0 HB2 SER A 780 0.514 5.703 8.359 1.00 0.00 H new ATOM 0 HB3 SER A 780 1.034 6.651 6.980 1.00 0.00 H new ATOM 0 HG SER A 780 1.295 7.794 8.980 1.00 0.00 H new ATOM 606 N SER A 781 -1.212 8.823 6.563 1.00 0.00 N ATOM 607 CA SER A 781 -1.393 9.962 5.671 1.00 0.00 C ATOM 608 C SER A 781 -0.243 10.059 4.673 1.00 0.00 C ATOM 609 O SER A 781 -0.385 10.644 3.600 1.00 0.00 O ATOM 610 CB SER A 781 -1.493 11.258 6.478 1.00 0.00 C ATOM 611 OG SER A 781 -2.620 11.239 7.337 1.00 0.00 O ATOM 0 H SER A 781 -1.003 9.073 7.529 1.00 0.00 H new ATOM 0 HA SER A 781 -2.320 9.814 5.117 1.00 0.00 H new ATOM 0 HB2 SER A 781 -0.586 11.394 7.066 1.00 0.00 H new ATOM 0 HB3 SER A 781 -1.564 12.108 5.799 1.00 0.00 H new ATOM 0 HG SER A 781 -2.660 12.078 7.843 1.00 0.00 H new ATOM 617 N ASP A 782 0.896 9.480 5.036 1.00 0.00 N ATOM 618 CA ASP A 782 2.072 9.499 4.173 1.00 0.00 C ATOM 619 C ASP A 782 2.357 8.109 3.613 1.00 0.00 C ATOM 620 O ASP A 782 3.025 7.967 2.589 1.00 0.00 O ATOM 621 CB ASP A 782 3.289 10.011 4.945 1.00 0.00 C ATOM 622 CG ASP A 782 3.243 11.510 5.171 1.00 0.00 C ATOM 623 OD1 ASP A 782 2.393 11.964 5.965 1.00 0.00 O ATOM 624 OD2 ASP A 782 4.057 12.228 4.553 1.00 0.00 O ATOM 0 H ASP A 782 1.030 8.992 5.921 1.00 0.00 H new ATOM 0 HA ASP A 782 1.870 10.172 3.340 1.00 0.00 H new ATOM 0 HB2 ASP A 782 3.345 9.503 5.908 1.00 0.00 H new ATOM 0 HB3 ASP A 782 4.196 9.757 4.397 1.00 0.00 H new ATOM 629 N TRP A 783 1.848 7.088 4.292 1.00 0.00 N ATOM 630 CA TRP A 783 2.050 5.708 3.862 1.00 0.00 C ATOM 631 C TRP A 783 0.724 5.057 3.484 1.00 0.00 C ATOM 632 O TRP A 783 -0.336 5.464 3.961 1.00 0.00 O ATOM 633 CB TRP A 783 2.731 4.902 4.969 1.00 0.00 C ATOM 634 CG TRP A 783 4.178 5.248 5.151 1.00 0.00 C ATOM 635 CD1 TRP A 783 4.703 6.127 6.055 1.00 0.00 C ATOM 636 CD2 TRP A 783 5.284 4.723 4.410 1.00 0.00 C ATOM 637 NE1 TRP A 783 6.069 6.180 5.920 1.00 0.00 N ATOM 638 CE2 TRP A 783 6.451 5.327 4.918 1.00 0.00 C ATOM 639 CE3 TRP A 783 5.404 3.800 3.367 1.00 0.00 C ATOM 640 CZ2 TRP A 783 7.718 5.038 4.418 1.00 0.00 C ATOM 641 CZ3 TRP A 783 6.661 3.514 2.871 1.00 0.00 C ATOM 642 CH2 TRP A 783 7.805 4.130 3.397 1.00 0.00 C ATOM 0 H TRP A 783 1.293 7.188 5.142 1.00 0.00 H new ATOM 0 HA TRP A 783 2.693 5.718 2.982 1.00 0.00 H new ATOM 0 HB2 TRP A 783 2.204 5.070 5.908 1.00 0.00 H new ATOM 0 HB3 TRP A 783 2.645 3.840 4.741 1.00 0.00 H new ATOM 0 HD1 TRP A 783 4.129 6.697 6.771 1.00 0.00 H new ATOM 0 HE1 TRP A 783 6.697 6.760 6.476 1.00 0.00 H new ATOM 0 HE3 TRP A 783 4.529 3.319 2.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 783 8.600 5.513 4.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 783 6.764 2.804 2.064 1.00 0.00 H new ATOM 0 HH2 TRP A 783 8.774 3.884 2.989 1.00 0.00 H new ATOM 653 N TRP A 784 0.791 4.046 2.626 1.00 0.00 N ATOM 654 CA TRP A 784 -0.406 3.338 2.185 1.00 0.00 C ATOM 655 C TRP A 784 -0.228 1.830 2.322 1.00 0.00 C ATOM 656 O TRP A 784 0.866 1.349 2.617 1.00 0.00 O ATOM 657 CB TRP A 784 -0.729 3.696 0.734 1.00 0.00 C ATOM 658 CG TRP A 784 -1.191 5.112 0.560 1.00 0.00 C ATOM 659 CD1 TRP A 784 -0.416 6.236 0.591 1.00 0.00 C ATOM 660 CD2 TRP A 784 -2.533 5.553 0.330 1.00 0.00 C ATOM 661 NE1 TRP A 784 -1.196 7.350 0.394 1.00 0.00 N ATOM 662 CE2 TRP A 784 -2.498 6.958 0.231 1.00 0.00 C ATOM 663 CE3 TRP A 784 -3.760 4.899 0.197 1.00 0.00 C ATOM 664 CZ2 TRP A 784 -3.644 7.716 0.006 1.00 0.00 C ATOM 665 CZ3 TRP A 784 -4.897 5.653 -0.027 1.00 0.00 C ATOM 666 CH2 TRP A 784 -4.832 7.050 -0.121 1.00 0.00 C ATOM 0 H TRP A 784 1.660 3.698 2.222 1.00 0.00 H new ATOM 0 HA TRP A 784 -1.236 3.646 2.821 1.00 0.00 H new ATOM 0 HB2 TRP A 784 0.157 3.533 0.121 1.00 0.00 H new ATOM 0 HB3 TRP A 784 -1.501 3.021 0.364 1.00 0.00 H new ATOM 0 HD1 TRP A 784 0.653 6.248 0.747 1.00 0.00 H new ATOM 0 HE1 TRP A 784 -0.860 8.313 0.373 1.00 0.00 H new ATOM 0 HE3 TRP A 784 -3.820 3.823 0.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 784 -3.597 8.793 -0.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 784 -5.851 5.157 -0.131 1.00 0.00 H new ATOM 0 HH2 TRP A 784 -5.738 7.612 -0.297 1.00 0.00 H new ATOM 677 N ARG A 785 -1.310 1.089 2.105 1.00 0.00 N ATOM 678 CA ARG A 785 -1.273 -0.365 2.205 1.00 0.00 C ATOM 679 C ARG A 785 -1.676 -1.012 0.883 1.00 0.00 C ATOM 680 O ARG A 785 -2.837 -0.953 0.480 1.00 0.00 O ATOM 681 CB ARG A 785 -2.200 -0.845 3.324 1.00 0.00 C ATOM 682 CG ARG A 785 -1.705 -0.494 4.717 1.00 0.00 C ATOM 683 CD ARG A 785 -2.258 -1.450 5.762 1.00 0.00 C ATOM 684 NE ARG A 785 -1.649 -1.241 7.073 1.00 0.00 N ATOM 685 CZ ARG A 785 -0.485 -1.771 7.435 1.00 0.00 C ATOM 686 NH1 ARG A 785 0.191 -2.536 6.589 1.00 0.00 N ATOM 687 NH2 ARG A 785 0.004 -1.534 8.645 1.00 0.00 N ATOM 0 H ARG A 785 -2.223 1.472 1.859 1.00 0.00 H new ATOM 0 HA ARG A 785 -0.250 -0.662 2.438 1.00 0.00 H new ATOM 0 HB2 ARG A 785 -3.188 -0.409 3.178 1.00 0.00 H new ATOM 0 HB3 ARG A 785 -2.315 -1.926 3.250 1.00 0.00 H new ATOM 0 HG2 ARG A 785 -0.616 -0.524 4.735 1.00 0.00 H new ATOM 0 HG3 ARG A 785 -2.000 0.526 4.963 1.00 0.00 H new ATOM 0 HD2 ARG A 785 -3.337 -1.318 5.839 1.00 0.00 H new ATOM 0 HD3 ARG A 785 -2.084 -2.477 5.441 1.00 0.00 H new ATOM 0 HE ARG A 785 -2.144 -0.657 7.747 1.00 0.00 H new ATOM 0 HH11 ARG A 785 -0.182 -2.719 5.657 1.00 0.00 H new ATOM 0 HH12 ARG A 785 1.084 -2.941 6.870 1.00 0.00 H new ATOM 0 HH21 ARG A 785 -0.513 -0.945 9.298 1.00 0.00 H new ATOM 0 HH22 ARG A 785 0.897 -1.941 8.923 1.00 0.00 H new ATOM 701 N GLY A 786 -0.708 -1.629 0.212 1.00 0.00 N ATOM 702 CA GLY A 786 -0.982 -2.277 -1.057 1.00 0.00 C ATOM 703 C GLY A 786 -0.293 -3.622 -1.182 1.00 0.00 C ATOM 704 O GLY A 786 0.415 -4.050 -0.272 1.00 0.00 O ATOM 0 H GLY A 786 0.261 -1.692 0.525 1.00 0.00 H new ATOM 0 HA2 GLY A 786 -2.058 -2.412 -1.168 1.00 0.00 H new ATOM 0 HA3 GLY A 786 -0.657 -1.628 -1.870 1.00 0.00 H new ATOM 708 N GLU A 787 -0.503 -4.289 -2.312 1.00 0.00 N ATOM 709 CA GLU A 787 0.102 -5.595 -2.551 1.00 0.00 C ATOM 710 C GLU A 787 0.671 -5.680 -3.965 1.00 0.00 C ATOM 711 O GLU A 787 -0.074 -5.696 -4.945 1.00 0.00 O ATOM 712 CB GLU A 787 -0.928 -6.706 -2.335 1.00 0.00 C ATOM 713 CG GLU A 787 -0.606 -7.988 -3.085 1.00 0.00 C ATOM 714 CD GLU A 787 -1.620 -9.085 -2.827 1.00 0.00 C ATOM 715 OE1 GLU A 787 -2.335 -9.003 -1.806 1.00 0.00 O ATOM 716 OE2 GLU A 787 -1.700 -10.024 -3.646 1.00 0.00 O ATOM 0 H GLU A 787 -1.087 -3.948 -3.076 1.00 0.00 H new ATOM 0 HA GLU A 787 0.919 -5.725 -1.841 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -0.995 -6.925 -1.269 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -1.908 -6.347 -2.649 1.00 0.00 H new ATOM 0 HG2 GLU A 787 -0.567 -7.779 -4.154 1.00 0.00 H new ATOM 0 HG3 GLU A 787 0.384 -8.337 -2.792 1.00 0.00 H new ATOM 723 N HIS A 788 1.995 -5.736 -4.061 1.00 0.00 N ATOM 724 CA HIS A 788 2.665 -5.820 -5.354 1.00 0.00 C ATOM 725 C HIS A 788 2.635 -7.249 -5.889 1.00 0.00 C ATOM 726 O HIS A 788 2.047 -8.139 -5.277 1.00 0.00 O ATOM 727 CB HIS A 788 4.111 -5.337 -5.236 1.00 0.00 C ATOM 728 CG HIS A 788 4.637 -4.708 -6.489 1.00 0.00 C ATOM 729 ND1 HIS A 788 5.983 -4.579 -6.759 1.00 0.00 N ATOM 730 CD2 HIS A 788 3.989 -4.173 -7.550 1.00 0.00 C ATOM 731 CE1 HIS A 788 6.140 -3.990 -7.931 1.00 0.00 C ATOM 732 NE2 HIS A 788 4.946 -3.733 -8.432 1.00 0.00 N ATOM 0 H HIS A 788 2.625 -5.725 -3.259 1.00 0.00 H new ATOM 0 HA HIS A 788 2.132 -5.177 -6.054 1.00 0.00 H new ATOM 0 HB2 HIS A 788 4.179 -4.616 -4.421 1.00 0.00 H new ATOM 0 HB3 HIS A 788 4.747 -6.181 -4.969 1.00 0.00 H new ATOM 0 HD2 HIS A 788 2.919 -4.105 -7.679 1.00 0.00 H new ATOM 0 HE1 HIS A 788 7.085 -3.758 -8.400 1.00 0.00 H new ATOM 0 HE2 HIS A 788 4.764 -3.281 -9.328 1.00 0.00 H new ATOM 740 N ASN A 789 3.273 -7.459 -7.036 1.00 0.00 N ATOM 741 CA ASN A 789 3.318 -8.779 -7.654 1.00 0.00 C ATOM 742 C ASN A 789 3.907 -9.809 -6.695 1.00 0.00 C ATOM 743 O ASN A 789 5.125 -9.921 -6.559 1.00 0.00 O ATOM 744 CB ASN A 789 4.144 -8.734 -8.941 1.00 0.00 C ATOM 745 CG ASN A 789 3.938 -9.965 -9.803 1.00 0.00 C ATOM 746 OD1 ASN A 789 3.190 -9.934 -10.780 1.00 0.00 O ATOM 747 ND2 ASN A 789 4.604 -11.057 -9.444 1.00 0.00 N ATOM 0 H ASN A 789 3.765 -6.733 -7.556 1.00 0.00 H new ATOM 0 HA ASN A 789 2.297 -9.075 -7.895 1.00 0.00 H new ATOM 0 HB2 ASN A 789 3.875 -7.845 -9.511 1.00 0.00 H new ATOM 0 HB3 ASN A 789 5.200 -8.643 -8.689 1.00 0.00 H new ATOM 0 HD21 ASN A 789 4.506 -11.915 -9.986 1.00 0.00 H new ATOM 0 HD22 ASN A 789 5.213 -11.037 -8.626 1.00 0.00 H new ATOM 754 N GLY A 790 3.033 -10.560 -6.032 1.00 0.00 N ATOM 755 CA GLY A 790 3.485 -11.572 -5.094 1.00 0.00 C ATOM 756 C GLY A 790 4.098 -10.971 -3.845 1.00 0.00 C ATOM 757 O GLY A 790 4.711 -11.678 -3.045 1.00 0.00 O ATOM 0 H GLY A 790 2.020 -10.486 -6.127 1.00 0.00 H new ATOM 0 HA2 GLY A 790 2.643 -12.205 -4.814 1.00 0.00 H new ATOM 0 HA3 GLY A 790 4.218 -12.214 -5.582 1.00 0.00 H new ATOM 761 N MET A 791 3.934 -9.663 -3.677 1.00 0.00 N ATOM 762 CA MET A 791 4.477 -8.968 -2.515 1.00 0.00 C ATOM 763 C MET A 791 3.392 -8.161 -1.809 1.00 0.00 C ATOM 764 O MET A 791 2.441 -7.698 -2.439 1.00 0.00 O ATOM 765 CB MET A 791 5.623 -8.047 -2.936 1.00 0.00 C ATOM 766 CG MET A 791 6.989 -8.712 -2.883 1.00 0.00 C ATOM 767 SD MET A 791 8.330 -7.580 -3.295 1.00 0.00 S ATOM 768 CE MET A 791 8.115 -7.432 -5.068 1.00 0.00 C ATOM 0 H MET A 791 3.430 -9.063 -4.330 1.00 0.00 H new ATOM 0 HA MET A 791 4.859 -9.716 -1.820 1.00 0.00 H new ATOM 0 HB2 MET A 791 5.440 -7.693 -3.950 1.00 0.00 H new ATOM 0 HB3 MET A 791 5.630 -7.170 -2.289 1.00 0.00 H new ATOM 0 HG2 MET A 791 7.154 -9.116 -1.884 1.00 0.00 H new ATOM 0 HG3 MET A 791 7.005 -9.555 -3.574 1.00 0.00 H new ATOM 0 HE1 MET A 791 8.953 -6.879 -5.491 1.00 0.00 H new ATOM 0 HE2 MET A 791 8.074 -8.426 -5.514 1.00 0.00 H new ATOM 0 HE3 MET A 791 7.187 -6.901 -5.279 1.00 0.00 H new ATOM 778 N ARG A 792 3.542 -7.995 -0.499 1.00 0.00 N ATOM 779 CA ARG A 792 2.575 -7.245 0.292 1.00 0.00 C ATOM 780 C ARG A 792 3.279 -6.377 1.331 1.00 0.00 C ATOM 781 O ARG A 792 4.135 -6.853 2.076 1.00 0.00 O ATOM 782 CB ARG A 792 1.601 -8.199 0.985 1.00 0.00 C ATOM 783 CG ARG A 792 0.711 -8.967 0.021 1.00 0.00 C ATOM 784 CD ARG A 792 -0.512 -9.535 0.724 1.00 0.00 C ATOM 785 NE ARG A 792 -1.015 -10.736 0.063 1.00 0.00 N ATOM 786 CZ ARG A 792 -0.497 -11.945 0.242 1.00 0.00 C ATOM 787 NH1 ARG A 792 0.534 -12.114 1.059 1.00 0.00 N ATOM 788 NH2 ARG A 792 -1.010 -12.990 -0.396 1.00 0.00 N ATOM 0 H ARG A 792 4.325 -8.370 0.037 1.00 0.00 H new ATOM 0 HA ARG A 792 2.018 -6.595 -0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 792 2.168 -8.909 1.587 1.00 0.00 H new ATOM 0 HB3 ARG A 792 0.973 -7.629 1.670 1.00 0.00 H new ATOM 0 HG2 ARG A 792 0.394 -8.308 -0.787 1.00 0.00 H new ATOM 0 HG3 ARG A 792 1.280 -9.778 -0.434 1.00 0.00 H new ATOM 0 HD2 ARG A 792 -0.259 -9.769 1.758 1.00 0.00 H new ATOM 0 HD3 ARG A 792 -1.298 -8.780 0.751 1.00 0.00 H new ATOM 0 HE ARG A 792 -1.808 -10.641 -0.571 1.00 0.00 H new ATOM 0 HH11 ARG A 792 0.931 -11.314 1.552 1.00 0.00 H new ATOM 0 HH12 ARG A 792 0.930 -13.044 1.195 1.00 0.00 H new ATOM 0 HH21 ARG A 792 -1.803 -12.865 -1.025 1.00 0.00 H new ATOM 0 HH22 ARG A 792 -0.611 -13.918 -0.257 1.00 0.00 H new ATOM 802 N GLY A 793 2.912 -5.099 1.375 1.00 0.00 N ATOM 803 CA GLY A 793 3.518 -4.185 2.325 1.00 0.00 C ATOM 804 C GLY A 793 2.938 -2.787 2.235 1.00 0.00 C ATOM 805 O GLY A 793 1.846 -2.593 1.701 1.00 0.00 O ATOM 0 H GLY A 793 2.206 -4.681 0.769 1.00 0.00 H new ATOM 0 HA2 GLY A 793 3.377 -4.569 3.335 1.00 0.00 H new ATOM 0 HA3 GLY A 793 4.593 -4.141 2.148 1.00 0.00 H new ATOM 809 N LEU A 794 3.670 -1.811 2.761 1.00 0.00 N ATOM 810 CA LEU A 794 3.221 -0.423 2.739 1.00 0.00 C ATOM 811 C LEU A 794 3.563 0.240 1.409 1.00 0.00 C ATOM 812 O LEU A 794 4.144 -0.388 0.523 1.00 0.00 O ATOM 813 CB LEU A 794 3.860 0.358 3.889 1.00 0.00 C ATOM 814 CG LEU A 794 3.577 -0.169 5.297 1.00 0.00 C ATOM 815 CD1 LEU A 794 4.693 0.229 6.250 1.00 0.00 C ATOM 816 CD2 LEU A 794 2.235 0.344 5.799 1.00 0.00 C ATOM 0 H LEU A 794 4.576 -1.955 3.207 1.00 0.00 H new ATOM 0 HA LEU A 794 2.138 -0.416 2.859 1.00 0.00 H new ATOM 0 HB2 LEU A 794 4.939 0.371 3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 794 3.518 1.392 3.834 1.00 0.00 H new ATOM 0 HG LEU A 794 3.534 -1.257 5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 794 4.474 -0.155 7.247 1.00 0.00 H new ATOM 0 HD12 LEU A 794 5.637 -0.188 5.899 1.00 0.00 H new ATOM 0 HD13 LEU A 794 4.769 1.316 6.288 1.00 0.00 H new ATOM 0 HD21 LEU A 794 2.050 -0.041 6.802 1.00 0.00 H new ATOM 0 HD22 LEU A 794 2.249 1.434 5.825 1.00 0.00 H new ATOM 0 HD23 LEU A 794 1.443 0.007 5.130 1.00 0.00 H new ATOM 828 N ILE A 795 3.201 1.511 1.276 1.00 0.00 N ATOM 829 CA ILE A 795 3.473 2.259 0.055 1.00 0.00 C ATOM 830 C ILE A 795 3.639 3.747 0.347 1.00 0.00 C ATOM 831 O ILE A 795 2.840 4.358 1.057 1.00 0.00 O ATOM 832 CB ILE A 795 2.348 2.073 -0.981 1.00 0.00 C ATOM 833 CG1 ILE A 795 2.481 0.714 -1.671 1.00 0.00 C ATOM 834 CG2 ILE A 795 2.380 3.198 -2.004 1.00 0.00 C ATOM 835 CD1 ILE A 795 1.339 0.400 -2.612 1.00 0.00 C ATOM 0 H ILE A 795 2.718 2.045 1.999 1.00 0.00 H new ATOM 0 HA ILE A 795 4.403 1.866 -0.356 1.00 0.00 H new ATOM 0 HB ILE A 795 1.389 2.105 -0.465 1.00 0.00 H new ATOM 0 HG12 ILE A 795 3.418 0.688 -2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 795 2.540 -0.066 -0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 795 1.579 3.053 -2.729 1.00 0.00 H new ATOM 0 HG22 ILE A 795 2.243 4.154 -1.498 1.00 0.00 H new ATOM 0 HG23 ILE A 795 3.341 3.195 -2.519 1.00 0.00 H new ATOM 0 HD11 ILE A 795 1.500 -0.578 -3.065 1.00 0.00 H new ATOM 0 HD12 ILE A 795 0.401 0.393 -2.056 1.00 0.00 H new ATOM 0 HD13 ILE A 795 1.292 1.159 -3.393 1.00 0.00 H new ATOM 847 N PRO A 796 4.700 4.345 -0.215 1.00 0.00 N ATOM 848 CA PRO A 796 4.995 5.769 -0.031 1.00 0.00 C ATOM 849 C PRO A 796 3.988 6.666 -0.744 1.00 0.00 C ATOM 850 O PRO A 796 3.722 6.495 -1.934 1.00 0.00 O ATOM 851 CB PRO A 796 6.385 5.927 -0.653 1.00 0.00 C ATOM 852 CG PRO A 796 6.483 4.821 -1.646 1.00 0.00 C ATOM 853 CD PRO A 796 5.693 3.677 -1.073 1.00 0.00 C ATOM 0 HA PRO A 796 4.946 6.063 1.017 1.00 0.00 H new ATOM 0 HB2 PRO A 796 6.496 6.900 -1.132 1.00 0.00 H new ATOM 0 HB3 PRO A 796 7.168 5.852 0.102 1.00 0.00 H new ATOM 0 HG2 PRO A 796 6.081 5.127 -2.612 1.00 0.00 H new ATOM 0 HG3 PRO A 796 7.522 4.534 -1.809 1.00 0.00 H new ATOM 0 HD2 PRO A 796 5.216 3.086 -1.855 1.00 0.00 H new ATOM 0 HD3 PRO A 796 6.326 2.998 -0.502 1.00 0.00 H new ATOM 861 N HIS A 797 3.431 7.623 -0.009 1.00 0.00 N ATOM 862 CA HIS A 797 2.453 8.548 -0.571 1.00 0.00 C ATOM 863 C HIS A 797 3.147 9.678 -1.326 1.00 0.00 C ATOM 864 O HIS A 797 2.493 10.541 -1.912 1.00 0.00 O ATOM 865 CB HIS A 797 1.570 9.125 0.535 1.00 0.00 C ATOM 866 CG HIS A 797 0.638 10.196 0.059 1.00 0.00 C ATOM 867 ND1 HIS A 797 -0.701 9.975 -0.184 1.00 0.00 N ATOM 868 CD2 HIS A 797 0.857 11.503 -0.216 1.00 0.00 C ATOM 869 CE1 HIS A 797 -1.264 11.099 -0.591 1.00 0.00 C ATOM 870 NE2 HIS A 797 -0.340 12.042 -0.618 1.00 0.00 N ATOM 0 H HIS A 797 3.640 7.778 0.977 1.00 0.00 H new ATOM 0 HA HIS A 797 1.828 7.995 -1.272 1.00 0.00 H new ATOM 0 HB2 HIS A 797 0.987 8.319 0.981 1.00 0.00 H new ATOM 0 HB3 HIS A 797 2.206 9.531 1.322 1.00 0.00 H new ATOM 0 HD2 HIS A 797 1.799 12.025 -0.134 1.00 0.00 H new ATOM 0 HE1 HIS A 797 -2.303 11.225 -0.856 1.00 0.00 H new ATOM 0 HE2 HIS A 797 -0.491 13.013 -0.893 1.00 0.00 H new ATOM 878 N LYS A 798 4.476 9.667 -1.308 1.00 0.00 N ATOM 879 CA LYS A 798 5.259 10.690 -1.990 1.00 0.00 C ATOM 880 C LYS A 798 5.756 10.184 -3.341 1.00 0.00 C ATOM 881 O LYS A 798 5.929 10.961 -4.280 1.00 0.00 O ATOM 882 CB LYS A 798 6.447 11.114 -1.124 1.00 0.00 C ATOM 883 CG LYS A 798 7.447 11.995 -1.853 1.00 0.00 C ATOM 884 CD LYS A 798 7.090 13.467 -1.727 1.00 0.00 C ATOM 885 CE LYS A 798 8.210 14.358 -2.241 1.00 0.00 C ATOM 886 NZ LYS A 798 7.750 15.759 -2.454 1.00 0.00 N ATOM 0 H LYS A 798 5.033 8.960 -0.828 1.00 0.00 H new ATOM 0 HA LYS A 798 4.615 11.553 -2.159 1.00 0.00 H new ATOM 0 HB2 LYS A 798 6.076 11.647 -0.249 1.00 0.00 H new ATOM 0 HB3 LYS A 798 6.958 10.222 -0.761 1.00 0.00 H new ATOM 0 HG2 LYS A 798 8.445 11.826 -1.448 1.00 0.00 H new ATOM 0 HG3 LYS A 798 7.479 11.716 -2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 798 6.177 13.670 -2.286 1.00 0.00 H new ATOM 0 HD3 LYS A 798 6.885 13.705 -0.683 1.00 0.00 H new ATOM 0 HE2 LYS A 798 9.036 14.351 -1.529 1.00 0.00 H new ATOM 0 HE3 LYS A 798 8.594 13.955 -3.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 798 8.542 16.335 -2.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 798 6.979 15.769 -3.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 798 7.407 16.152 -1.554 1.00 0.00 H new ATOM 900 N TYR A 799 5.982 8.878 -3.431 1.00 0.00 N ATOM 901 CA TYR A 799 6.460 8.269 -4.666 1.00 0.00 C ATOM 902 C TYR A 799 5.302 7.684 -5.469 1.00 0.00 C ATOM 903 O TYR A 799 5.478 6.733 -6.230 1.00 0.00 O ATOM 904 CB TYR A 799 7.484 7.175 -4.357 1.00 0.00 C ATOM 905 CG TYR A 799 8.791 7.706 -3.811 1.00 0.00 C ATOM 906 CD1 TYR A 799 8.813 8.550 -2.708 1.00 0.00 C ATOM 907 CD2 TYR A 799 10.002 7.363 -4.399 1.00 0.00 C ATOM 908 CE1 TYR A 799 10.004 9.038 -2.207 1.00 0.00 C ATOM 909 CE2 TYR A 799 11.198 7.845 -3.903 1.00 0.00 C ATOM 910 CZ TYR A 799 11.194 8.682 -2.807 1.00 0.00 C ATOM 911 OH TYR A 799 12.383 9.165 -2.311 1.00 0.00 O ATOM 0 H TYR A 799 5.842 8.221 -2.663 1.00 0.00 H new ATOM 0 HA TYR A 799 6.937 9.046 -5.263 1.00 0.00 H new ATOM 0 HB2 TYR A 799 7.054 6.480 -3.636 1.00 0.00 H new ATOM 0 HB3 TYR A 799 7.683 6.608 -5.266 1.00 0.00 H new ATOM 0 HD1 TYR A 799 7.883 8.829 -2.234 1.00 0.00 H new ATOM 0 HD2 TYR A 799 10.009 6.709 -5.258 1.00 0.00 H new ATOM 0 HE1 TYR A 799 10.004 9.695 -1.350 1.00 0.00 H new ATOM 0 HE2 TYR A 799 12.131 7.568 -4.371 1.00 0.00 H new ATOM 0 HH TYR A 799 13.126 8.818 -2.847 1.00 0.00 H new ATOM 921 N ILE A 800 4.118 8.262 -5.293 1.00 0.00 N ATOM 922 CA ILE A 800 2.931 7.801 -6.002 1.00 0.00 C ATOM 923 C ILE A 800 2.059 8.974 -6.435 1.00 0.00 C ATOM 924 O ILE A 800 2.140 10.065 -5.869 1.00 0.00 O ATOM 925 CB ILE A 800 2.092 6.845 -5.132 1.00 0.00 C ATOM 926 CG1 ILE A 800 1.542 7.583 -3.910 1.00 0.00 C ATOM 927 CG2 ILE A 800 2.928 5.648 -4.703 1.00 0.00 C ATOM 928 CD1 ILE A 800 0.339 6.909 -3.288 1.00 0.00 C ATOM 0 H ILE A 800 3.956 9.050 -4.666 1.00 0.00 H new ATOM 0 HA ILE A 800 3.279 7.265 -6.885 1.00 0.00 H new ATOM 0 HB ILE A 800 1.251 6.483 -5.723 1.00 0.00 H new ATOM 0 HG12 ILE A 800 2.329 7.666 -3.161 1.00 0.00 H new ATOM 0 HG13 ILE A 800 1.270 8.598 -4.200 1.00 0.00 H new ATOM 0 HG21 ILE A 800 2.322 4.982 -4.089 1.00 0.00 H new ATOM 0 HG22 ILE A 800 3.276 5.112 -5.586 1.00 0.00 H new ATOM 0 HG23 ILE A 800 3.787 5.992 -4.126 1.00 0.00 H new ATOM 0 HD11 ILE A 800 0.003 7.487 -2.427 1.00 0.00 H new ATOM 0 HD12 ILE A 800 -0.465 6.850 -4.022 1.00 0.00 H new ATOM 0 HD13 ILE A 800 0.611 5.904 -2.966 1.00 0.00 H new ATOM 940 N THR A 801 1.222 8.742 -7.441 1.00 0.00 N ATOM 941 CA THR A 801 0.333 9.779 -7.950 1.00 0.00 C ATOM 942 C THR A 801 -1.110 9.291 -8.000 1.00 0.00 C ATOM 943 O THR A 801 -1.495 8.550 -8.906 1.00 0.00 O ATOM 944 CB THR A 801 0.756 10.240 -9.358 1.00 0.00 C ATOM 945 OG1 THR A 801 2.067 10.815 -9.312 1.00 0.00 O ATOM 946 CG2 THR A 801 -0.230 11.257 -9.914 1.00 0.00 C ATOM 0 H THR A 801 1.141 7.845 -7.920 1.00 0.00 H new ATOM 0 HA THR A 801 0.405 10.622 -7.262 1.00 0.00 H new ATOM 0 HB THR A 801 0.764 9.369 -10.014 1.00 0.00 H new ATOM 0 HG1 THR A 801 2.329 11.104 -10.211 1.00 0.00 H new ATOM 0 HG21 THR A 801 0.090 11.568 -10.909 1.00 0.00 H new ATOM 0 HG22 THR A 801 -1.221 10.807 -9.975 1.00 0.00 H new ATOM 0 HG23 THR A 801 -0.266 12.126 -9.257 1.00 0.00 H new ATOM 954 N LEU A 802 -1.906 9.710 -7.023 1.00 0.00 N ATOM 955 CA LEU A 802 -3.309 9.316 -6.955 1.00 0.00 C ATOM 956 C LEU A 802 -4.094 9.896 -8.127 1.00 0.00 C ATOM 957 O LEU A 802 -3.762 10.951 -8.667 1.00 0.00 O ATOM 958 CB LEU A 802 -3.926 9.777 -5.634 1.00 0.00 C ATOM 959 CG LEU A 802 -3.388 9.103 -4.371 1.00 0.00 C ATOM 960 CD1 LEU A 802 -3.796 9.887 -3.133 1.00 0.00 C ATOM 961 CD2 LEU A 802 -3.883 7.667 -4.281 1.00 0.00 C ATOM 0 H LEU A 802 -1.604 10.323 -6.266 1.00 0.00 H new ATOM 0 HA LEU A 802 -3.359 8.229 -7.011 1.00 0.00 H new ATOM 0 HB2 LEU A 802 -3.774 10.852 -5.541 1.00 0.00 H new ATOM 0 HB3 LEU A 802 -5.002 9.610 -5.681 1.00 0.00 H new ATOM 0 HG LEU A 802 -2.299 9.089 -4.425 1.00 0.00 H new ATOM 0 HD11 LEU A 802 -3.404 9.393 -2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 802 -3.393 10.898 -3.193 1.00 0.00 H new ATOM 0 HD13 LEU A 802 -4.883 9.933 -3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 802 -3.490 7.203 -3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 802 -4.973 7.659 -4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 802 -3.541 7.109 -5.153 1.00 0.00 H new ATOM 973 N PRO A 803 -5.164 9.193 -8.529 1.00 0.00 N ATOM 974 CA PRO A 803 -6.021 9.621 -9.638 1.00 0.00 C ATOM 975 C PRO A 803 -6.842 10.859 -9.293 1.00 0.00 C ATOM 976 O PRO A 803 -6.827 11.849 -10.023 1.00 0.00 O ATOM 977 CB PRO A 803 -6.938 8.417 -9.863 1.00 0.00 C ATOM 978 CG PRO A 803 -6.974 7.717 -8.548 1.00 0.00 C ATOM 979 CD PRO A 803 -5.619 7.927 -7.930 1.00 0.00 C ATOM 0 HA PRO A 803 -5.440 9.902 -10.516 1.00 0.00 H new ATOM 0 HB2 PRO A 803 -7.935 8.731 -10.172 1.00 0.00 H new ATOM 0 HB3 PRO A 803 -6.552 7.766 -10.647 1.00 0.00 H new ATOM 0 HG2 PRO A 803 -7.760 8.123 -7.911 1.00 0.00 H new ATOM 0 HG3 PRO A 803 -7.184 6.655 -8.677 1.00 0.00 H new ATOM 0 HD2 PRO A 803 -5.679 7.995 -6.844 1.00 0.00 H new ATOM 0 HD3 PRO A 803 -4.940 7.106 -8.161 1.00 0.00 H new