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 98:sc= 0.835 USER MOD Set 1.2: A 801 THR OG1 : rot 124:sc= 1.4 USER MOD Set 2.1: A 766 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 791 MET CE :methyl 147:sc= -0.0661 (180deg=-1.98!) USER MOD Set 3.1: A 761 THR OG1 : rot 180:sc= -0.675 USER MOD Set 3.2: A 763 GLN : amide:sc= -0.197 K(o=-0.87,f=-3.9!) 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 776 HIS : no HE2:sc= -2.15 X(o=-2.2,f=-2.4!) USER MOD Single : A 780 SER OG : rot 180:sc= 0.0963 USER MOD Single : A 781 SER OG : rot 180:sc= 0 USER MOD Single : A 788 HIS : no HD1:sc= -0.816 X(o=-0.82,f=-0.62) USER MOD Single : A 789 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 797 HIS : no HD1:sc= -0.764 K(o=-0.76,f=-4.3!) 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 -7.842 0.829 -4.971 1.00 0.00 N ATOM 105 CA VAL A 749 -7.515 1.979 -5.806 1.00 0.00 C ATOM 106 C VAL A 749 -6.221 1.746 -6.579 1.00 0.00 C ATOM 107 O VAL A 749 -5.281 1.140 -6.066 1.00 0.00 O ATOM 108 CB VAL A 749 -7.373 3.261 -4.965 1.00 0.00 C ATOM 109 CG1 VAL A 749 -6.988 4.439 -5.848 1.00 0.00 C ATOM 110 CG2 VAL A 749 -8.663 3.549 -4.212 1.00 0.00 C ATOM 0 HA VAL A 749 -8.338 2.104 -6.509 1.00 0.00 H new ATOM 0 HB VAL A 749 -6.578 3.110 -4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 749 -6.892 5.336 -5.236 1.00 0.00 H new ATOM 0 HG12 VAL A 749 -6.037 4.231 -6.338 1.00 0.00 H new ATOM 0 HG13 VAL A 749 -7.759 4.595 -6.603 1.00 0.00 H new ATOM 0 HG21 VAL A 749 -8.545 4.458 -3.623 1.00 0.00 H new ATOM 0 HG22 VAL A 749 -9.478 3.681 -4.924 1.00 0.00 H new ATOM 0 HG23 VAL A 749 -8.892 2.714 -3.549 1.00 0.00 H new ATOM 120 N GLU A 750 -6.182 2.232 -7.816 1.00 0.00 N ATOM 121 CA GLU A 750 -5.003 2.076 -8.659 1.00 0.00 C ATOM 122 C GLU A 750 -4.164 3.351 -8.664 1.00 0.00 C ATOM 123 O GLU A 750 -4.632 4.413 -9.074 1.00 0.00 O ATOM 124 CB GLU A 750 -5.415 1.718 -10.089 1.00 0.00 C ATOM 125 CG GLU A 750 -5.770 0.252 -10.271 1.00 0.00 C ATOM 126 CD GLU A 750 -6.684 0.017 -11.458 1.00 0.00 C ATOM 127 OE1 GLU A 750 -7.695 0.740 -11.582 1.00 0.00 O ATOM 128 OE2 GLU A 750 -6.389 -0.891 -12.263 1.00 0.00 O ATOM 0 H GLU A 750 -6.952 2.736 -8.256 1.00 0.00 H new ATOM 0 HA GLU A 750 -4.399 1.266 -8.249 1.00 0.00 H new ATOM 0 HB2 GLU A 750 -6.271 2.329 -10.375 1.00 0.00 H new ATOM 0 HB3 GLU A 750 -4.601 1.973 -10.767 1.00 0.00 H new ATOM 0 HG2 GLU A 750 -4.855 -0.326 -10.401 1.00 0.00 H new ATOM 0 HG3 GLU A 750 -6.254 -0.116 -9.366 1.00 0.00 H new ATOM 135 N ALA A 751 -2.922 3.237 -8.204 1.00 0.00 N ATOM 136 CA ALA A 751 -2.018 4.379 -8.157 1.00 0.00 C ATOM 137 C ALA A 751 -0.758 4.116 -8.975 1.00 0.00 C ATOM 138 O ALA A 751 -0.297 2.979 -9.076 1.00 0.00 O ATOM 139 CB ALA A 751 -1.655 4.705 -6.715 1.00 0.00 C ATOM 0 H ALA A 751 -2.520 2.366 -7.859 1.00 0.00 H new ATOM 0 HA ALA A 751 -2.531 5.236 -8.594 1.00 0.00 H new ATOM 0 HB1 ALA A 751 -0.979 5.560 -6.694 1.00 0.00 H new ATOM 0 HB2 ALA A 751 -2.560 4.944 -6.157 1.00 0.00 H new ATOM 0 HB3 ALA A 751 -1.165 3.844 -6.260 1.00 0.00 H new ATOM 145 N VAL A 752 -0.205 5.175 -9.558 1.00 0.00 N ATOM 146 CA VAL A 752 1.002 5.059 -10.368 1.00 0.00 C ATOM 147 C VAL A 752 2.225 5.555 -9.605 1.00 0.00 C ATOM 148 O VAL A 752 2.181 6.598 -8.953 1.00 0.00 O ATOM 149 CB VAL A 752 0.874 5.851 -11.683 1.00 0.00 C ATOM 150 CG1 VAL A 752 2.129 5.691 -12.526 1.00 0.00 C ATOM 151 CG2 VAL A 752 -0.358 5.404 -12.456 1.00 0.00 C ATOM 0 H VAL A 752 -0.574 6.123 -9.484 1.00 0.00 H new ATOM 0 HA VAL A 752 1.127 4.001 -10.601 1.00 0.00 H new ATOM 0 HB VAL A 752 0.760 6.908 -11.441 1.00 0.00 H new ATOM 0 HG11 VAL A 752 2.021 6.257 -13.451 1.00 0.00 H new ATOM 0 HG12 VAL A 752 2.990 6.064 -11.971 1.00 0.00 H new ATOM 0 HG13 VAL A 752 2.277 4.637 -12.761 1.00 0.00 H new ATOM 0 HG21 VAL A 752 -0.433 5.974 -13.382 1.00 0.00 H new ATOM 0 HG22 VAL A 752 -0.276 4.342 -12.689 1.00 0.00 H new ATOM 0 HG23 VAL A 752 -1.249 5.575 -11.852 1.00 0.00 H new ATOM 161 N ALA A 753 3.316 4.802 -9.693 1.00 0.00 N ATOM 162 CA ALA A 753 4.553 5.166 -9.013 1.00 0.00 C ATOM 163 C ALA A 753 5.282 6.279 -9.759 1.00 0.00 C ATOM 164 O ALA A 753 5.781 6.073 -10.866 1.00 0.00 O ATOM 165 CB ALA A 753 5.453 3.948 -8.866 1.00 0.00 C ATOM 0 H ALA A 753 3.369 3.936 -10.229 1.00 0.00 H new ATOM 0 HA ALA A 753 4.298 5.536 -8.020 1.00 0.00 H new ATOM 0 HB1 ALA A 753 6.373 4.235 -8.357 1.00 0.00 H new ATOM 0 HB2 ALA A 753 4.939 3.184 -8.283 1.00 0.00 H new ATOM 0 HB3 ALA A 753 5.693 3.552 -9.853 1.00 0.00 H new ATOM 171 N CYS A 754 5.339 7.456 -9.146 1.00 0.00 N ATOM 172 CA CYS A 754 6.006 8.602 -9.754 1.00 0.00 C ATOM 173 C CYS A 754 7.482 8.305 -9.999 1.00 0.00 C ATOM 174 O CYS A 754 8.044 8.699 -11.021 1.00 0.00 O ATOM 175 CB CYS A 754 5.863 9.834 -8.860 1.00 0.00 C ATOM 176 SG CYS A 754 4.362 10.796 -9.162 1.00 0.00 S ATOM 0 H CYS A 754 4.932 7.642 -8.229 1.00 0.00 H new ATOM 0 HA CYS A 754 5.530 8.801 -10.714 1.00 0.00 H new ATOM 0 HB2 CYS A 754 5.874 9.516 -7.817 1.00 0.00 H new ATOM 0 HB3 CYS A 754 6.730 10.478 -9.006 1.00 0.00 H new ATOM 0 HG CYS A 754 3.458 10.476 -8.285 1.00 0.00 H new ATOM 182 N PHE A 755 8.105 7.608 -9.055 1.00 0.00 N ATOM 183 CA PHE A 755 9.516 7.260 -9.166 1.00 0.00 C ATOM 184 C PHE A 755 9.779 5.864 -8.607 1.00 0.00 C ATOM 185 O PHE A 755 8.960 5.315 -7.871 1.00 0.00 O ATOM 186 CB PHE A 755 10.377 8.287 -8.428 1.00 0.00 C ATOM 187 CG PHE A 755 10.037 9.710 -8.770 1.00 0.00 C ATOM 188 CD1 PHE A 755 10.196 10.182 -10.063 1.00 0.00 C ATOM 189 CD2 PHE A 755 9.559 10.574 -7.799 1.00 0.00 C ATOM 190 CE1 PHE A 755 9.885 11.491 -10.380 1.00 0.00 C ATOM 191 CE2 PHE A 755 9.246 11.884 -8.110 1.00 0.00 C ATOM 192 CZ PHE A 755 9.408 12.343 -9.403 1.00 0.00 C ATOM 0 H PHE A 755 7.654 7.273 -8.204 1.00 0.00 H new ATOM 0 HA PHE A 755 9.782 7.265 -10.223 1.00 0.00 H new ATOM 0 HB2 PHE A 755 10.261 8.142 -7.354 1.00 0.00 H new ATOM 0 HB3 PHE A 755 11.426 8.106 -8.663 1.00 0.00 H new ATOM 0 HD1 PHE A 755 10.567 9.520 -10.831 1.00 0.00 H new ATOM 0 HD2 PHE A 755 9.429 10.220 -6.787 1.00 0.00 H new ATOM 0 HE1 PHE A 755 10.015 11.847 -11.391 1.00 0.00 H new ATOM 0 HE2 PHE A 755 8.875 12.548 -7.343 1.00 0.00 H new ATOM 0 HZ PHE A 755 9.162 13.365 -9.649 1.00 0.00 H new ATOM 202 N ALA A 756 10.927 5.297 -8.963 1.00 0.00 N ATOM 203 CA ALA A 756 11.298 3.967 -8.496 1.00 0.00 C ATOM 204 C ALA A 756 11.707 3.995 -7.028 1.00 0.00 C ATOM 205 O ALA A 756 12.576 4.771 -6.630 1.00 0.00 O ATOM 206 CB ALA A 756 12.426 3.404 -9.349 1.00 0.00 C ATOM 0 H ALA A 756 11.616 5.738 -9.573 1.00 0.00 H new ATOM 0 HA ALA A 756 10.426 3.319 -8.591 1.00 0.00 H new ATOM 0 HB1 ALA A 756 12.693 2.410 -8.989 1.00 0.00 H new ATOM 0 HB2 ALA A 756 12.099 3.338 -10.387 1.00 0.00 H new ATOM 0 HB3 ALA A 756 13.294 4.059 -9.283 1.00 0.00 H new ATOM 212 N TYR A 757 11.075 3.145 -6.226 1.00 0.00 N ATOM 213 CA TYR A 757 11.371 3.074 -4.800 1.00 0.00 C ATOM 214 C TYR A 757 11.922 1.702 -4.425 1.00 0.00 C ATOM 215 O TYR A 757 11.633 0.702 -5.084 1.00 0.00 O ATOM 216 CB TYR A 757 10.114 3.373 -3.982 1.00 0.00 C ATOM 217 CG TYR A 757 10.393 3.645 -2.521 1.00 0.00 C ATOM 218 CD1 TYR A 757 10.667 4.932 -2.074 1.00 0.00 C ATOM 219 CD2 TYR A 757 10.383 2.616 -1.588 1.00 0.00 C ATOM 220 CE1 TYR A 757 10.923 5.186 -0.741 1.00 0.00 C ATOM 221 CE2 TYR A 757 10.637 2.861 -0.252 1.00 0.00 C ATOM 222 CZ TYR A 757 10.907 4.147 0.167 1.00 0.00 C ATOM 223 OH TYR A 757 11.161 4.395 1.496 1.00 0.00 O ATOM 0 H TYR A 757 10.354 2.495 -6.540 1.00 0.00 H new ATOM 0 HA TYR A 757 12.130 3.823 -4.575 1.00 0.00 H new ATOM 0 HB2 TYR A 757 9.607 4.236 -4.413 1.00 0.00 H new ATOM 0 HB3 TYR A 757 9.429 2.528 -4.061 1.00 0.00 H new ATOM 0 HD1 TYR A 757 10.680 5.748 -2.782 1.00 0.00 H new ATOM 0 HD2 TYR A 757 10.173 1.607 -1.912 1.00 0.00 H new ATOM 0 HE1 TYR A 757 11.135 6.192 -0.411 1.00 0.00 H new ATOM 0 HE2 TYR A 757 10.624 2.050 0.461 1.00 0.00 H new ATOM 0 HH TYR A 757 11.110 3.557 2.001 1.00 0.00 H new ATOM 233 N THR A 758 12.717 1.661 -3.361 1.00 0.00 N ATOM 234 CA THR A 758 13.310 0.413 -2.897 1.00 0.00 C ATOM 235 C THR A 758 13.017 0.182 -1.419 1.00 0.00 C ATOM 236 O THR A 758 13.783 0.599 -0.551 1.00 0.00 O ATOM 237 CB THR A 758 14.835 0.401 -3.114 1.00 0.00 C ATOM 238 OG1 THR A 758 15.131 0.489 -4.512 1.00 0.00 O ATOM 239 CG2 THR A 758 15.453 -0.865 -2.538 1.00 0.00 C ATOM 0 H THR A 758 12.965 2.478 -2.804 1.00 0.00 H new ATOM 0 HA THR A 758 12.861 -0.388 -3.484 1.00 0.00 H new ATOM 0 HB THR A 758 15.261 1.262 -2.598 1.00 0.00 H new ATOM 0 HG1 THR A 758 16.102 0.483 -4.642 1.00 0.00 H new ATOM 0 HG21 THR A 758 16.530 -0.852 -2.703 1.00 0.00 H new ATOM 0 HG22 THR A 758 15.250 -0.915 -1.468 1.00 0.00 H new ATOM 0 HG23 THR A 758 15.022 -1.737 -3.030 1.00 0.00 H new ATOM 247 N GLY A 759 11.902 -0.486 -1.138 1.00 0.00 N ATOM 248 CA GLY A 759 11.528 -0.762 0.236 1.00 0.00 C ATOM 249 C GLY A 759 12.729 -1.037 1.120 1.00 0.00 C ATOM 250 O GLY A 759 13.584 -1.855 0.779 1.00 0.00 O ATOM 0 H GLY A 759 11.251 -0.841 -1.838 1.00 0.00 H new ATOM 0 HA2 GLY A 759 10.973 0.087 0.636 1.00 0.00 H new ATOM 0 HA3 GLY A 759 10.858 -1.621 0.261 1.00 0.00 H new ATOM 254 N ARG A 760 12.794 -0.352 2.257 1.00 0.00 N ATOM 255 CA ARG A 760 13.901 -0.525 3.190 1.00 0.00 C ATOM 256 C ARG A 760 13.812 -1.875 3.894 1.00 0.00 C ATOM 257 O ARG A 760 14.819 -2.561 4.077 1.00 0.00 O ATOM 258 CB ARG A 760 13.904 0.603 4.224 1.00 0.00 C ATOM 259 CG ARG A 760 14.595 1.868 3.743 1.00 0.00 C ATOM 260 CD ARG A 760 16.106 1.700 3.712 1.00 0.00 C ATOM 261 NE ARG A 760 16.755 2.729 2.903 1.00 0.00 N ATOM 262 CZ ARG A 760 18.070 2.908 2.859 1.00 0.00 C ATOM 263 NH1 ARG A 760 18.873 2.130 3.572 1.00 0.00 N ATOM 264 NH2 ARG A 760 18.585 3.866 2.099 1.00 0.00 N ATOM 0 H ARG A 760 12.094 0.327 2.554 1.00 0.00 H new ATOM 0 HA ARG A 760 14.831 -0.492 2.623 1.00 0.00 H new ATOM 0 HB2 ARG A 760 12.875 0.841 4.493 1.00 0.00 H new ATOM 0 HB3 ARG A 760 14.397 0.252 5.131 1.00 0.00 H new ATOM 0 HG2 ARG A 760 14.236 2.124 2.746 1.00 0.00 H new ATOM 0 HG3 ARG A 760 14.334 2.699 4.399 1.00 0.00 H new ATOM 0 HD2 ARG A 760 16.496 1.739 4.729 1.00 0.00 H new ATOM 0 HD3 ARG A 760 16.353 0.716 3.313 1.00 0.00 H new ATOM 0 HE ARG A 760 16.166 3.344 2.341 1.00 0.00 H new ATOM 0 HH11 ARG A 760 18.481 1.392 4.156 1.00 0.00 H new ATOM 0 HH12 ARG A 760 19.883 2.270 3.536 1.00 0.00 H new ATOM 0 HH21 ARG A 760 17.971 4.466 1.548 1.00 0.00 H new ATOM 0 HH22 ARG A 760 19.595 4.003 2.066 1.00 0.00 H new ATOM 278 N THR A 761 12.600 -2.253 4.289 1.00 0.00 N ATOM 279 CA THR A 761 12.379 -3.520 4.975 1.00 0.00 C ATOM 280 C THR A 761 11.180 -4.259 4.393 1.00 0.00 C ATOM 281 O THR A 761 10.448 -3.718 3.564 1.00 0.00 O ATOM 282 CB THR A 761 12.156 -3.310 6.484 1.00 0.00 C ATOM 283 OG1 THR A 761 10.921 -2.621 6.706 1.00 0.00 O ATOM 284 CG2 THR A 761 13.302 -2.518 7.096 1.00 0.00 C ATOM 0 H THR A 761 11.756 -1.699 4.145 1.00 0.00 H new ATOM 0 HA THR A 761 13.277 -4.120 4.828 1.00 0.00 H new ATOM 0 HB THR A 761 12.116 -4.289 6.962 1.00 0.00 H new ATOM 0 HG1 THR A 761 10.786 -2.493 7.668 1.00 0.00 H new ATOM 0 HG21 THR A 761 13.122 -2.382 8.162 1.00 0.00 H new ATOM 0 HG22 THR A 761 14.237 -3.060 6.952 1.00 0.00 H new ATOM 0 HG23 THR A 761 13.370 -1.543 6.613 1.00 0.00 H new ATOM 292 N ALA A 762 10.983 -5.497 4.832 1.00 0.00 N ATOM 293 CA ALA A 762 9.870 -6.309 4.356 1.00 0.00 C ATOM 294 C ALA A 762 8.563 -5.524 4.393 1.00 0.00 C ATOM 295 O ALA A 762 7.778 -5.565 3.446 1.00 0.00 O ATOM 296 CB ALA A 762 9.749 -7.578 5.187 1.00 0.00 C ATOM 0 H ALA A 762 11.580 -5.960 5.517 1.00 0.00 H new ATOM 0 HA ALA A 762 10.070 -6.584 3.320 1.00 0.00 H new ATOM 0 HB1 ALA A 762 8.914 -8.175 4.820 1.00 0.00 H new ATOM 0 HB2 ALA A 762 10.670 -8.155 5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 762 9.576 -7.315 6.230 1.00 0.00 H new ATOM 302 N GLN A 763 8.337 -4.812 5.492 1.00 0.00 N ATOM 303 CA GLN A 763 7.123 -4.019 5.651 1.00 0.00 C ATOM 304 C GLN A 763 6.898 -3.120 4.440 1.00 0.00 C ATOM 305 O GLN A 763 5.778 -3.005 3.942 1.00 0.00 O ATOM 306 CB GLN A 763 7.206 -3.171 6.922 1.00 0.00 C ATOM 307 CG GLN A 763 6.781 -3.915 8.178 1.00 0.00 C ATOM 308 CD GLN A 763 7.371 -5.309 8.258 1.00 0.00 C ATOM 309 OE1 GLN A 763 8.572 -5.499 8.068 1.00 0.00 O ATOM 310 NE2 GLN A 763 6.526 -6.294 8.541 1.00 0.00 N ATOM 0 H GLN A 763 8.977 -4.768 6.285 1.00 0.00 H new ATOM 0 HA GLN A 763 6.279 -4.704 5.734 1.00 0.00 H new ATOM 0 HB2 GLN A 763 8.230 -2.818 7.047 1.00 0.00 H new ATOM 0 HB3 GLN A 763 6.577 -2.289 6.802 1.00 0.00 H new ATOM 0 HG2 GLN A 763 7.087 -3.344 9.055 1.00 0.00 H new ATOM 0 HG3 GLN A 763 5.693 -3.983 8.205 1.00 0.00 H new ATOM 0 HE21 GLN A 763 5.538 -6.091 8.691 1.00 0.00 H new ATOM 0 HE22 GLN A 763 6.865 -7.254 8.608 1.00 0.00 H new ATOM 319 N GLU A 764 7.968 -2.485 3.972 1.00 0.00 N ATOM 320 CA GLU A 764 7.885 -1.596 2.820 1.00 0.00 C ATOM 321 C GLU A 764 8.002 -2.381 1.517 1.00 0.00 C ATOM 322 O GLU A 764 8.700 -3.394 1.449 1.00 0.00 O ATOM 323 CB GLU A 764 8.984 -0.533 2.888 1.00 0.00 C ATOM 324 CG GLU A 764 8.941 0.307 4.153 1.00 0.00 C ATOM 325 CD GLU A 764 9.664 -0.348 5.313 1.00 0.00 C ATOM 326 OE1 GLU A 764 10.906 -0.237 5.376 1.00 0.00 O ATOM 327 OE2 GLU A 764 8.988 -0.972 6.158 1.00 0.00 O ATOM 0 H GLU A 764 8.902 -2.570 4.373 1.00 0.00 H new ATOM 0 HA GLU A 764 6.912 -1.105 2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 764 9.956 -1.022 2.820 1.00 0.00 H new ATOM 0 HB3 GLU A 764 8.896 0.124 2.023 1.00 0.00 H new ATOM 0 HG2 GLU A 764 9.389 1.280 3.954 1.00 0.00 H new ATOM 0 HG3 GLU A 764 7.902 0.485 4.431 1.00 0.00 H new ATOM 334 N LEU A 765 7.313 -1.908 0.484 1.00 0.00 N ATOM 335 CA LEU A 765 7.338 -2.565 -0.818 1.00 0.00 C ATOM 336 C LEU A 765 8.247 -1.817 -1.788 1.00 0.00 C ATOM 337 O LEU A 765 8.734 -0.728 -1.484 1.00 0.00 O ATOM 338 CB LEU A 765 5.924 -2.656 -1.393 1.00 0.00 C ATOM 339 CG LEU A 765 4.967 -3.608 -0.675 1.00 0.00 C ATOM 340 CD1 LEU A 765 3.528 -3.320 -1.074 1.00 0.00 C ATOM 341 CD2 LEU A 765 5.327 -5.055 -0.978 1.00 0.00 C ATOM 0 H LEU A 765 6.730 -1.072 0.523 1.00 0.00 H new ATOM 0 HA LEU A 765 7.733 -3.572 -0.682 1.00 0.00 H new ATOM 0 HB2 LEU A 765 5.485 -1.658 -1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 765 5.997 -2.964 -2.436 1.00 0.00 H new ATOM 0 HG LEU A 765 5.064 -3.448 0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 765 2.861 -4.007 -0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 765 3.274 -2.295 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 765 3.416 -3.451 -2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 765 4.635 -5.718 -0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 765 5.260 -5.229 -2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 765 6.344 -5.255 -0.641 1.00 0.00 H new ATOM 353 N SER A 766 8.469 -2.408 -2.958 1.00 0.00 N ATOM 354 CA SER A 766 9.320 -1.798 -3.973 1.00 0.00 C ATOM 355 C SER A 766 8.656 -1.855 -5.345 1.00 0.00 C ATOM 356 O SER A 766 7.830 -2.728 -5.612 1.00 0.00 O ATOM 357 CB SER A 766 10.678 -2.502 -4.021 1.00 0.00 C ATOM 358 OG SER A 766 10.525 -3.887 -4.280 1.00 0.00 O ATOM 0 H SER A 766 8.071 -3.308 -3.226 1.00 0.00 H new ATOM 0 HA SER A 766 9.470 -0.752 -3.705 1.00 0.00 H new ATOM 0 HB2 SER A 766 11.298 -2.050 -4.795 1.00 0.00 H new ATOM 0 HB3 SER A 766 11.198 -2.361 -3.073 1.00 0.00 H new ATOM 0 HG SER A 766 11.407 -4.314 -4.308 1.00 0.00 H new ATOM 364 N PHE A 767 9.024 -0.918 -6.213 1.00 0.00 N ATOM 365 CA PHE A 767 8.463 -0.861 -7.558 1.00 0.00 C ATOM 366 C PHE A 767 9.197 0.172 -8.409 1.00 0.00 C ATOM 367 O PHE A 767 9.999 0.955 -7.900 1.00 0.00 O ATOM 368 CB PHE A 767 6.972 -0.522 -7.499 1.00 0.00 C ATOM 369 CG PHE A 767 6.641 0.551 -6.501 1.00 0.00 C ATOM 370 CD1 PHE A 767 6.800 1.889 -6.824 1.00 0.00 C ATOM 371 CD2 PHE A 767 6.170 0.221 -5.240 1.00 0.00 C ATOM 372 CE1 PHE A 767 6.496 2.878 -5.908 1.00 0.00 C ATOM 373 CE2 PHE A 767 5.863 1.206 -4.321 1.00 0.00 C ATOM 374 CZ PHE A 767 6.027 2.536 -4.654 1.00 0.00 C ATOM 0 H PHE A 767 9.707 -0.189 -6.009 1.00 0.00 H new ATOM 0 HA PHE A 767 8.587 -1.841 -8.018 1.00 0.00 H new ATOM 0 HB2 PHE A 767 6.641 -0.203 -8.487 1.00 0.00 H new ATOM 0 HB3 PHE A 767 6.412 -1.424 -7.251 1.00 0.00 H new ATOM 0 HD1 PHE A 767 7.166 2.162 -7.803 1.00 0.00 H new ATOM 0 HD2 PHE A 767 6.042 -0.818 -4.973 1.00 0.00 H new ATOM 0 HE1 PHE A 767 6.625 3.917 -6.172 1.00 0.00 H new ATOM 0 HE2 PHE A 767 5.495 0.936 -3.342 1.00 0.00 H new ATOM 0 HZ PHE A 767 5.789 3.307 -3.936 1.00 0.00 H new ATOM 384 N ARG A 768 8.917 0.166 -9.708 1.00 0.00 N ATOM 385 CA ARG A 768 9.551 1.100 -10.631 1.00 0.00 C ATOM 386 C ARG A 768 8.528 2.074 -11.207 1.00 0.00 C ATOM 387 O ARG A 768 7.354 1.738 -11.361 1.00 0.00 O ATOM 388 CB ARG A 768 10.243 0.341 -11.764 1.00 0.00 C ATOM 389 CG ARG A 768 11.510 -0.378 -11.331 1.00 0.00 C ATOM 390 CD ARG A 768 11.753 -1.628 -12.162 1.00 0.00 C ATOM 391 NE ARG A 768 11.035 -2.785 -11.633 1.00 0.00 N ATOM 392 CZ ARG A 768 11.374 -3.410 -10.511 1.00 0.00 C ATOM 393 NH1 ARG A 768 12.414 -2.992 -9.803 1.00 0.00 N ATOM 394 NH2 ARG A 768 10.672 -4.456 -10.095 1.00 0.00 N ATOM 0 H ARG A 768 8.255 -0.475 -10.145 1.00 0.00 H new ATOM 0 HA ARG A 768 10.297 1.669 -10.076 1.00 0.00 H new ATOM 0 HB2 ARG A 768 9.547 -0.387 -12.181 1.00 0.00 H new ATOM 0 HB3 ARG A 768 10.488 1.041 -12.563 1.00 0.00 H new ATOM 0 HG2 ARG A 768 12.362 0.295 -11.426 1.00 0.00 H new ATOM 0 HG3 ARG A 768 11.434 -0.649 -10.278 1.00 0.00 H new ATOM 0 HD2 ARG A 768 11.440 -1.446 -13.190 1.00 0.00 H new ATOM 0 HD3 ARG A 768 12.821 -1.845 -12.187 1.00 0.00 H new ATOM 0 HE ARG A 768 10.229 -3.132 -12.154 1.00 0.00 H new ATOM 0 HH11 ARG A 768 12.956 -2.188 -10.119 1.00 0.00 H new ATOM 0 HH12 ARG A 768 12.672 -3.474 -8.942 1.00 0.00 H new ATOM 0 HH21 ARG A 768 9.871 -4.781 -10.637 1.00 0.00 H new ATOM 0 HH22 ARG A 768 10.933 -4.935 -9.233 1.00 0.00 H new ATOM 408 N ARG A 769 8.982 3.283 -11.524 1.00 0.00 N ATOM 409 CA ARG A 769 8.105 4.306 -12.082 1.00 0.00 C ATOM 410 C ARG A 769 7.164 3.707 -13.123 1.00 0.00 C ATOM 411 O ARG A 769 7.600 3.025 -14.049 1.00 0.00 O ATOM 412 CB ARG A 769 8.933 5.428 -12.712 1.00 0.00 C ATOM 413 CG ARG A 769 8.093 6.492 -13.399 1.00 0.00 C ATOM 414 CD ARG A 769 8.942 7.381 -14.293 1.00 0.00 C ATOM 415 NE ARG A 769 9.504 6.645 -15.422 1.00 0.00 N ATOM 416 CZ ARG A 769 9.956 7.228 -16.527 1.00 0.00 C ATOM 417 NH1 ARG A 769 9.912 8.547 -16.651 1.00 0.00 N ATOM 418 NH2 ARG A 769 10.453 6.490 -17.512 1.00 0.00 N ATOM 0 H ARG A 769 9.951 3.578 -11.404 1.00 0.00 H new ATOM 0 HA ARG A 769 7.505 4.718 -11.270 1.00 0.00 H new ATOM 0 HB2 ARG A 769 9.539 5.899 -11.938 1.00 0.00 H new ATOM 0 HB3 ARG A 769 9.622 4.996 -13.438 1.00 0.00 H new ATOM 0 HG2 ARG A 769 7.314 6.014 -13.993 1.00 0.00 H new ATOM 0 HG3 ARG A 769 7.592 7.102 -12.648 1.00 0.00 H new ATOM 0 HD2 ARG A 769 8.335 8.207 -14.665 1.00 0.00 H new ATOM 0 HD3 ARG A 769 9.750 7.818 -13.707 1.00 0.00 H new ATOM 0 HE ARG A 769 9.552 5.628 -15.359 1.00 0.00 H new ATOM 0 HH11 ARG A 769 9.530 9.118 -15.897 1.00 0.00 H new ATOM 0 HH12 ARG A 769 10.260 8.991 -17.501 1.00 0.00 H new ATOM 0 HH21 ARG A 769 10.488 5.475 -17.421 1.00 0.00 H new ATOM 0 HH22 ARG A 769 10.800 6.938 -18.360 1.00 0.00 H new ATOM 432 N GLY A 770 5.870 3.967 -12.963 1.00 0.00 N ATOM 433 CA GLY A 770 4.888 3.446 -13.896 1.00 0.00 C ATOM 434 C GLY A 770 4.151 2.240 -13.348 1.00 0.00 C ATOM 435 O GLY A 770 2.959 2.065 -13.602 1.00 0.00 O ATOM 0 H GLY A 770 5.484 4.529 -12.204 1.00 0.00 H new ATOM 0 HA2 GLY A 770 4.169 4.229 -14.137 1.00 0.00 H new ATOM 0 HA3 GLY A 770 5.385 3.172 -14.827 1.00 0.00 H new ATOM 439 N ASP A 771 4.861 1.407 -12.596 1.00 0.00 N ATOM 440 CA ASP A 771 4.267 0.210 -12.011 1.00 0.00 C ATOM 441 C ASP A 771 3.082 0.571 -11.120 1.00 0.00 C ATOM 442 O ASP A 771 3.250 1.185 -10.066 1.00 0.00 O ATOM 443 CB ASP A 771 5.312 -0.562 -11.204 1.00 0.00 C ATOM 444 CG ASP A 771 6.352 -1.224 -12.086 1.00 0.00 C ATOM 445 OD1 ASP A 771 6.660 -0.667 -13.161 1.00 0.00 O ATOM 446 OD2 ASP A 771 6.858 -2.299 -11.702 1.00 0.00 O ATOM 0 H ASP A 771 5.849 1.538 -12.377 1.00 0.00 H new ATOM 0 HA ASP A 771 3.908 -0.422 -12.824 1.00 0.00 H new ATOM 0 HB2 ASP A 771 5.807 0.119 -10.511 1.00 0.00 H new ATOM 0 HB3 ASP A 771 4.813 -1.322 -10.602 1.00 0.00 H new ATOM 451 N VAL A 772 1.885 0.188 -11.551 1.00 0.00 N ATOM 452 CA VAL A 772 0.672 0.471 -10.793 1.00 0.00 C ATOM 453 C VAL A 772 0.616 -0.360 -9.516 1.00 0.00 C ATOM 454 O VAL A 772 1.047 -1.514 -9.493 1.00 0.00 O ATOM 455 CB VAL A 772 -0.591 0.193 -11.629 1.00 0.00 C ATOM 456 CG1 VAL A 772 -1.840 0.593 -10.860 1.00 0.00 C ATOM 457 CG2 VAL A 772 -0.518 0.923 -12.962 1.00 0.00 C ATOM 0 H VAL A 772 1.729 -0.320 -12.422 1.00 0.00 H new ATOM 0 HA VAL A 772 0.701 1.529 -10.534 1.00 0.00 H new ATOM 0 HB VAL A 772 -0.645 -0.877 -11.829 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -2.722 0.389 -11.467 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -1.896 0.020 -9.934 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -1.798 1.657 -10.626 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -1.418 0.716 -13.540 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -0.439 1.996 -12.786 1.00 0.00 H new ATOM 0 HG23 VAL A 772 0.356 0.581 -13.517 1.00 0.00 H new ATOM 467 N LEU A 773 0.082 0.233 -8.454 1.00 0.00 N ATOM 468 CA LEU A 773 -0.031 -0.452 -7.171 1.00 0.00 C ATOM 469 C LEU A 773 -1.425 -0.271 -6.578 1.00 0.00 C ATOM 470 O LEU A 773 -1.958 0.838 -6.547 1.00 0.00 O ATOM 471 CB LEU A 773 1.023 0.073 -6.195 1.00 0.00 C ATOM 472 CG LEU A 773 2.322 0.582 -6.819 1.00 0.00 C ATOM 473 CD1 LEU A 773 2.932 1.681 -5.963 1.00 0.00 C ATOM 474 CD2 LEU A 773 3.309 -0.562 -7.004 1.00 0.00 C ATOM 0 H LEU A 773 -0.280 1.187 -8.456 1.00 0.00 H new ATOM 0 HA LEU A 773 0.137 -1.516 -7.339 1.00 0.00 H new ATOM 0 HB2 LEU A 773 0.581 0.883 -5.615 1.00 0.00 H new ATOM 0 HB3 LEU A 773 1.269 -0.724 -5.493 1.00 0.00 H new ATOM 0 HG LEU A 773 2.092 1.000 -7.799 1.00 0.00 H new ATOM 0 HD11 LEU A 773 3.856 2.030 -6.424 1.00 0.00 H new ATOM 0 HD12 LEU A 773 2.230 2.511 -5.882 1.00 0.00 H new ATOM 0 HD13 LEU A 773 3.148 1.290 -4.969 1.00 0.00 H new ATOM 0 HD21 LEU A 773 4.228 -0.181 -7.449 1.00 0.00 H new ATOM 0 HD22 LEU A 773 3.533 -1.009 -6.036 1.00 0.00 H new ATOM 0 HD23 LEU A 773 2.873 -1.316 -7.660 1.00 0.00 H new ATOM 486 N ARG A 774 -2.009 -1.368 -6.107 1.00 0.00 N ATOM 487 CA ARG A 774 -3.341 -1.330 -5.515 1.00 0.00 C ATOM 488 C ARG A 774 -3.272 -0.904 -4.051 1.00 0.00 C ATOM 489 O ARG A 774 -2.558 -1.509 -3.250 1.00 0.00 O ATOM 490 CB ARG A 774 -4.012 -2.700 -5.627 1.00 0.00 C ATOM 491 CG ARG A 774 -4.237 -3.152 -7.061 1.00 0.00 C ATOM 492 CD ARG A 774 -4.609 -4.625 -7.129 1.00 0.00 C ATOM 493 NE ARG A 774 -4.450 -5.168 -8.475 1.00 0.00 N ATOM 494 CZ ARG A 774 -4.725 -6.427 -8.797 1.00 0.00 C ATOM 495 NH1 ARG A 774 -5.171 -7.268 -7.875 1.00 0.00 N ATOM 496 NH2 ARG A 774 -4.556 -6.846 -10.045 1.00 0.00 N ATOM 0 H ARG A 774 -1.581 -2.294 -6.124 1.00 0.00 H new ATOM 0 HA ARG A 774 -3.934 -0.597 -6.062 1.00 0.00 H new ATOM 0 HB2 ARG A 774 -3.397 -3.439 -5.114 1.00 0.00 H new ATOM 0 HB3 ARG A 774 -4.971 -2.669 -5.110 1.00 0.00 H new ATOM 0 HG2 ARG A 774 -5.029 -2.554 -7.512 1.00 0.00 H new ATOM 0 HG3 ARG A 774 -3.334 -2.976 -7.645 1.00 0.00 H new ATOM 0 HD2 ARG A 774 -3.986 -5.189 -6.435 1.00 0.00 H new ATOM 0 HD3 ARG A 774 -5.642 -4.753 -6.806 1.00 0.00 H new ATOM 0 HE ARG A 774 -4.109 -4.546 -9.208 1.00 0.00 H new ATOM 0 HH11 ARG A 774 -5.304 -6.949 -6.915 1.00 0.00 H new ATOM 0 HH12 ARG A 774 -5.381 -8.234 -8.125 1.00 0.00 H new ATOM 0 HH21 ARG A 774 -4.215 -6.201 -10.758 1.00 0.00 H new ATOM 0 HH22 ARG A 774 -4.767 -7.813 -10.291 1.00 0.00 H new ATOM 510 N LEU A 775 -4.018 0.141 -3.709 1.00 0.00 N ATOM 511 CA LEU A 775 -4.042 0.648 -2.341 1.00 0.00 C ATOM 512 C LEU A 775 -5.205 0.049 -1.558 1.00 0.00 C ATOM 513 O LEU A 775 -6.289 0.630 -1.493 1.00 0.00 O ATOM 514 CB LEU A 775 -4.148 2.175 -2.345 1.00 0.00 C ATOM 515 CG LEU A 775 -3.119 2.917 -3.199 1.00 0.00 C ATOM 516 CD1 LEU A 775 -3.375 4.415 -3.161 1.00 0.00 C ATOM 517 CD2 LEU A 775 -1.707 2.603 -2.725 1.00 0.00 C ATOM 0 H LEU A 775 -4.614 0.653 -4.359 1.00 0.00 H new ATOM 0 HA LEU A 775 -3.112 0.355 -1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 775 -5.144 2.449 -2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 775 -4.060 2.528 -1.317 1.00 0.00 H new ATOM 0 HG LEU A 775 -3.219 2.578 -4.230 1.00 0.00 H new ATOM 0 HD11 LEU A 775 -2.633 4.927 -3.774 1.00 0.00 H new ATOM 0 HD12 LEU A 775 -4.372 4.624 -3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 775 -3.303 4.770 -2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 775 -0.988 3.139 -3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 775 -1.594 2.913 -1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 775 -1.526 1.531 -2.805 1.00 0.00 H new ATOM 529 N HIS A 776 -4.972 -1.117 -0.963 1.00 0.00 N ATOM 530 CA HIS A 776 -6.000 -1.795 -0.181 1.00 0.00 C ATOM 531 C HIS A 776 -6.620 -0.846 0.841 1.00 0.00 C ATOM 532 O HIS A 776 -7.841 -0.757 0.957 1.00 0.00 O ATOM 533 CB HIS A 776 -5.410 -3.013 0.530 1.00 0.00 C ATOM 534 CG HIS A 776 -4.878 -4.053 -0.407 1.00 0.00 C ATOM 535 ND1 HIS A 776 -4.764 -5.385 -0.067 1.00 0.00 N ATOM 536 CD2 HIS A 776 -4.428 -3.952 -1.680 1.00 0.00 C ATOM 537 CE1 HIS A 776 -4.266 -6.057 -1.090 1.00 0.00 C ATOM 538 NE2 HIS A 776 -4.054 -5.210 -2.082 1.00 0.00 N ATOM 0 H HIS A 776 -4.081 -1.612 -1.007 1.00 0.00 H new ATOM 0 HA HIS A 776 -6.782 -2.126 -0.865 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -4.607 -2.685 1.190 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -6.177 -3.462 1.161 1.00 0.00 H new ATOM 0 HD1 HIS A 776 -5.024 -5.788 0.833 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -4.373 -3.049 -2.270 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -4.066 -7.118 -1.112 1.00 0.00 H new ATOM 546 N GLU A 777 -5.768 -0.140 1.578 1.00 0.00 N ATOM 547 CA GLU A 777 -6.233 0.800 2.591 1.00 0.00 C ATOM 548 C GLU A 777 -5.202 1.901 2.825 1.00 0.00 C ATOM 549 O GLU A 777 -4.126 1.896 2.227 1.00 0.00 O ATOM 550 CB GLU A 777 -6.522 0.069 3.904 1.00 0.00 C ATOM 551 CG GLU A 777 -7.538 0.777 4.784 1.00 0.00 C ATOM 552 CD GLU A 777 -8.331 -0.184 5.648 1.00 0.00 C ATOM 553 OE1 GLU A 777 -9.350 -0.716 5.161 1.00 0.00 O ATOM 554 OE2 GLU A 777 -7.933 -0.404 6.811 1.00 0.00 O ATOM 0 H GLU A 777 -4.753 -0.201 1.493 1.00 0.00 H new ATOM 0 HA GLU A 777 -7.153 1.258 2.229 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -6.885 -0.934 3.679 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -5.591 -0.046 4.459 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -7.023 1.494 5.423 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -8.224 1.346 4.156 1.00 0.00 H new ATOM 561 N ARG A 778 -5.540 2.844 3.699 1.00 0.00 N ATOM 562 CA ARG A 778 -4.646 3.952 4.011 1.00 0.00 C ATOM 563 C ARG A 778 -3.841 3.662 5.274 1.00 0.00 C ATOM 564 O ARG A 778 -4.240 4.038 6.376 1.00 0.00 O ATOM 565 CB ARG A 778 -5.444 5.245 4.188 1.00 0.00 C ATOM 566 CG ARG A 778 -4.592 6.437 4.593 1.00 0.00 C ATOM 567 CD ARG A 778 -3.878 7.044 3.396 1.00 0.00 C ATOM 568 NE ARG A 778 -3.657 8.478 3.560 1.00 0.00 N ATOM 569 CZ ARG A 778 -4.609 9.392 3.402 1.00 0.00 C ATOM 570 NH1 ARG A 778 -5.840 9.022 3.077 1.00 0.00 N ATOM 571 NH2 ARG A 778 -4.330 10.678 3.569 1.00 0.00 N ATOM 0 H ARG A 778 -6.426 2.862 4.203 1.00 0.00 H new ATOM 0 HA ARG A 778 -3.953 4.072 3.178 1.00 0.00 H new ATOM 0 HB2 ARG A 778 -5.956 5.476 3.254 1.00 0.00 H new ATOM 0 HB3 ARG A 778 -6.214 5.086 4.943 1.00 0.00 H new ATOM 0 HG2 ARG A 778 -5.221 7.192 5.064 1.00 0.00 H new ATOM 0 HG3 ARG A 778 -3.858 6.125 5.336 1.00 0.00 H new ATOM 0 HD2 ARG A 778 -2.920 6.544 3.253 1.00 0.00 H new ATOM 0 HD3 ARG A 778 -4.467 6.869 2.496 1.00 0.00 H new ATOM 0 HE ARG A 778 -2.720 8.796 3.810 1.00 0.00 H new ATOM 0 HH11 ARG A 778 -6.058 8.034 2.948 1.00 0.00 H new ATOM 0 HH12 ARG A 778 -6.569 9.725 2.956 1.00 0.00 H new ATOM 0 HH21 ARG A 778 -3.384 10.966 3.819 1.00 0.00 H new ATOM 0 HH22 ARG A 778 -5.061 11.379 3.447 1.00 0.00 H new ATOM 585 N ALA A 779 -2.707 2.990 5.106 1.00 0.00 N ATOM 586 CA ALA A 779 -1.845 2.651 6.232 1.00 0.00 C ATOM 587 C ALA A 779 -1.628 3.857 7.140 1.00 0.00 C ATOM 588 O ALA A 779 -1.868 3.789 8.345 1.00 0.00 O ATOM 589 CB ALA A 779 -0.511 2.117 5.733 1.00 0.00 C ATOM 0 H ALA A 779 -2.364 2.669 4.201 1.00 0.00 H new ATOM 0 HA ALA A 779 -2.340 1.874 6.815 1.00 0.00 H new ATOM 0 HB1 ALA A 779 0.123 1.868 6.584 1.00 0.00 H new ATOM 0 HB2 ALA A 779 -0.679 1.223 5.132 1.00 0.00 H new ATOM 0 HB3 ALA A 779 -0.020 2.876 5.125 1.00 0.00 H new ATOM 595 N SER A 780 -1.172 4.959 6.553 1.00 0.00 N ATOM 596 CA SER A 780 -0.918 6.179 7.311 1.00 0.00 C ATOM 597 C SER A 780 -1.171 7.414 6.452 1.00 0.00 C ATOM 598 O SER A 780 -1.589 7.307 5.299 1.00 0.00 O ATOM 599 CB SER A 780 0.520 6.191 7.832 1.00 0.00 C ATOM 600 OG SER A 780 0.674 7.129 8.883 1.00 0.00 O ATOM 0 H SER A 780 -0.971 5.032 5.556 1.00 0.00 H new ATOM 0 HA SER A 780 -1.603 6.201 8.158 1.00 0.00 H new ATOM 0 HB2 SER A 780 0.790 5.196 8.186 1.00 0.00 H new ATOM 0 HB3 SER A 780 1.203 6.436 7.019 1.00 0.00 H new ATOM 0 HG SER A 780 1.601 7.116 9.200 1.00 0.00 H new ATOM 606 N SER A 781 -0.913 8.587 7.022 1.00 0.00 N ATOM 607 CA SER A 781 -1.116 9.844 6.312 1.00 0.00 C ATOM 608 C SER A 781 -0.048 10.039 5.239 1.00 0.00 C ATOM 609 O SER A 781 -0.231 10.814 4.300 1.00 0.00 O ATOM 610 CB SER A 781 -1.091 11.018 7.292 1.00 0.00 C ATOM 611 OG SER A 781 -1.167 12.256 6.606 1.00 0.00 O ATOM 0 H SER A 781 -0.563 8.693 7.974 1.00 0.00 H new ATOM 0 HA SER A 781 -2.092 9.806 5.827 1.00 0.00 H new ATOM 0 HB2 SER A 781 -1.925 10.933 7.988 1.00 0.00 H new ATOM 0 HB3 SER A 781 -0.177 10.982 7.884 1.00 0.00 H new ATOM 0 HG SER A 781 -1.151 12.991 7.254 1.00 0.00 H new ATOM 617 N ASP A 782 1.066 9.331 5.386 1.00 0.00 N ATOM 618 CA ASP A 782 2.163 9.424 4.430 1.00 0.00 C ATOM 619 C ASP A 782 2.412 8.079 3.755 1.00 0.00 C ATOM 620 O ASP A 782 3.021 8.012 2.688 1.00 0.00 O ATOM 621 CB ASP A 782 3.437 9.902 5.129 1.00 0.00 C ATOM 622 CG ASP A 782 3.554 11.413 5.149 1.00 0.00 C ATOM 623 OD1 ASP A 782 2.655 12.069 5.715 1.00 0.00 O ATOM 624 OD2 ASP A 782 4.543 11.940 4.599 1.00 0.00 O ATOM 0 H ASP A 782 1.233 8.686 6.158 1.00 0.00 H new ATOM 0 HA ASP A 782 1.884 10.148 3.664 1.00 0.00 H new ATOM 0 HB2 ASP A 782 3.450 9.526 6.152 1.00 0.00 H new ATOM 0 HB3 ASP A 782 4.306 9.480 4.623 1.00 0.00 H new ATOM 629 N TRP A 783 1.938 7.010 4.386 1.00 0.00 N ATOM 630 CA TRP A 783 2.110 5.666 3.846 1.00 0.00 C ATOM 631 C TRP A 783 0.764 5.047 3.487 1.00 0.00 C ATOM 632 O TRP A 783 -0.274 5.449 4.012 1.00 0.00 O ATOM 633 CB TRP A 783 2.841 4.779 4.856 1.00 0.00 C ATOM 634 CG TRP A 783 4.287 5.136 5.023 1.00 0.00 C ATOM 635 CD1 TRP A 783 4.816 6.006 5.933 1.00 0.00 C ATOM 636 CD2 TRP A 783 5.388 4.633 4.259 1.00 0.00 C ATOM 637 NE1 TRP A 783 6.180 6.075 5.780 1.00 0.00 N ATOM 638 CE2 TRP A 783 6.555 5.241 4.760 1.00 0.00 C ATOM 639 CE3 TRP A 783 5.501 3.728 3.201 1.00 0.00 C ATOM 640 CZ2 TRP A 783 7.818 4.972 4.238 1.00 0.00 C ATOM 641 CZ3 TRP A 783 6.755 3.462 2.683 1.00 0.00 C ATOM 642 CH2 TRP A 783 7.899 4.081 3.202 1.00 0.00 C ATOM 0 H TRP A 783 1.432 7.048 5.271 1.00 0.00 H new ATOM 0 HA TRP A 783 2.708 5.740 2.938 1.00 0.00 H new ATOM 0 HB2 TRP A 783 2.342 4.853 5.822 1.00 0.00 H new ATOM 0 HB3 TRP A 783 2.765 3.739 4.537 1.00 0.00 H new ATOM 0 HD1 TRP A 783 4.246 6.559 6.665 1.00 0.00 H new ATOM 0 HE1 TRP A 783 6.811 6.653 6.336 1.00 0.00 H new ATOM 0 HE3 TRP A 783 4.625 3.245 2.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 783 8.701 5.449 4.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 783 6.854 2.765 1.864 1.00 0.00 H new ATOM 0 HH2 TRP A 783 8.864 3.851 2.776 1.00 0.00 H new ATOM 653 N TRP A 784 0.789 4.066 2.592 1.00 0.00 N ATOM 654 CA TRP A 784 -0.431 3.391 2.164 1.00 0.00 C ATOM 655 C TRP A 784 -0.256 1.877 2.198 1.00 0.00 C ATOM 656 O TRP A 784 0.861 1.375 2.316 1.00 0.00 O ATOM 657 CB TRP A 784 -0.818 3.840 0.754 1.00 0.00 C ATOM 658 CG TRP A 784 -1.325 5.250 0.697 1.00 0.00 C ATOM 659 CD1 TRP A 784 -0.590 6.391 0.845 1.00 0.00 C ATOM 660 CD2 TRP A 784 -2.678 5.666 0.480 1.00 0.00 C ATOM 661 NE1 TRP A 784 -1.404 7.492 0.732 1.00 0.00 N ATOM 662 CE2 TRP A 784 -2.689 7.074 0.507 1.00 0.00 C ATOM 663 CE3 TRP A 784 -3.879 4.987 0.263 1.00 0.00 C ATOM 664 CZ2 TRP A 784 -3.856 7.812 0.327 1.00 0.00 C ATOM 665 CZ3 TRP A 784 -5.036 5.721 0.084 1.00 0.00 C ATOM 666 CH2 TRP A 784 -5.018 7.121 0.116 1.00 0.00 C ATOM 0 H TRP A 784 1.640 3.720 2.149 1.00 0.00 H new ATOM 0 HA TRP A 784 -1.228 3.661 2.856 1.00 0.00 H new ATOM 0 HB2 TRP A 784 0.049 3.747 0.100 1.00 0.00 H new ATOM 0 HB3 TRP A 784 -1.585 3.170 0.365 1.00 0.00 H new ATOM 0 HD1 TRP A 784 0.474 6.423 1.024 1.00 0.00 H new ATOM 0 HE1 TRP A 784 -1.101 8.463 0.804 1.00 0.00 H new ATOM 0 HE3 TRP A 784 -3.903 3.908 0.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 784 -3.844 8.892 0.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 784 -5.970 5.206 -0.083 1.00 0.00 H new ATOM 0 HH2 TRP A 784 -5.939 7.666 -0.029 1.00 0.00 H new ATOM 677 N ARG A 785 -1.367 1.155 2.095 1.00 0.00 N ATOM 678 CA ARG A 785 -1.336 -0.302 2.116 1.00 0.00 C ATOM 679 C ARG A 785 -1.654 -0.873 0.737 1.00 0.00 C ATOM 680 O ARG A 785 -2.712 -0.602 0.170 1.00 0.00 O ATOM 681 CB ARG A 785 -2.333 -0.841 3.144 1.00 0.00 C ATOM 682 CG ARG A 785 -1.752 -0.977 4.542 1.00 0.00 C ATOM 683 CD ARG A 785 -2.807 -1.419 5.543 1.00 0.00 C ATOM 684 NE ARG A 785 -3.064 -2.855 5.470 1.00 0.00 N ATOM 685 CZ ARG A 785 -4.105 -3.446 6.046 1.00 0.00 C ATOM 686 NH1 ARG A 785 -4.982 -2.728 6.734 1.00 0.00 N ATOM 687 NH2 ARG A 785 -4.270 -4.757 5.935 1.00 0.00 N ATOM 0 H ARG A 785 -2.300 1.556 1.996 1.00 0.00 H new ATOM 0 HA ARG A 785 -0.330 -0.614 2.397 1.00 0.00 H new ATOM 0 HB2 ARG A 785 -3.197 -0.178 3.182 1.00 0.00 H new ATOM 0 HB3 ARG A 785 -2.693 -1.815 2.813 1.00 0.00 H new ATOM 0 HG2 ARG A 785 -0.936 -1.699 4.529 1.00 0.00 H new ATOM 0 HG3 ARG A 785 -1.328 -0.023 4.856 1.00 0.00 H new ATOM 0 HD2 ARG A 785 -2.482 -1.160 6.551 1.00 0.00 H new ATOM 0 HD3 ARG A 785 -3.733 -0.875 5.357 1.00 0.00 H new ATOM 0 HE ARG A 785 -2.408 -3.436 4.948 1.00 0.00 H new ATOM 0 HH11 ARG A 785 -4.858 -1.719 6.822 1.00 0.00 H new ATOM 0 HH12 ARG A 785 -5.780 -3.184 7.175 1.00 0.00 H new ATOM 0 HH21 ARG A 785 -3.597 -5.313 5.407 1.00 0.00 H new ATOM 0 HH22 ARG A 785 -5.070 -5.210 6.378 1.00 0.00 H new ATOM 701 N GLY A 786 -0.729 -1.664 0.201 1.00 0.00 N ATOM 702 CA GLY A 786 -0.928 -2.259 -1.107 1.00 0.00 C ATOM 703 C GLY A 786 -0.276 -3.622 -1.230 1.00 0.00 C ATOM 704 O GLY A 786 0.453 -4.050 -0.336 1.00 0.00 O ATOM 0 H GLY A 786 0.155 -1.903 0.650 1.00 0.00 H new ATOM 0 HA2 GLY A 786 -1.996 -2.352 -1.302 1.00 0.00 H new ATOM 0 HA3 GLY A 786 -0.522 -1.595 -1.870 1.00 0.00 H new ATOM 708 N GLU A 787 -0.541 -4.305 -2.339 1.00 0.00 N ATOM 709 CA GLU A 787 0.024 -5.629 -2.573 1.00 0.00 C ATOM 710 C GLU A 787 0.499 -5.770 -4.016 1.00 0.00 C ATOM 711 O GLU A 787 -0.307 -5.796 -4.947 1.00 0.00 O ATOM 712 CB GLU A 787 -1.009 -6.712 -2.256 1.00 0.00 C ATOM 713 CG GLU A 787 -0.793 -8.004 -3.027 1.00 0.00 C ATOM 714 CD GLU A 787 -1.916 -9.001 -2.821 1.00 0.00 C ATOM 715 OE1 GLU A 787 -3.093 -8.583 -2.837 1.00 0.00 O ATOM 716 OE2 GLU A 787 -1.618 -10.201 -2.644 1.00 0.00 O ATOM 0 H GLU A 787 -1.143 -3.964 -3.089 1.00 0.00 H new ATOM 0 HA GLU A 787 0.882 -5.752 -1.912 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -0.981 -6.927 -1.188 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -2.005 -6.328 -2.478 1.00 0.00 H new ATOM 0 HG2 GLU A 787 -0.703 -7.778 -4.090 1.00 0.00 H new ATOM 0 HG3 GLU A 787 0.150 -8.455 -2.716 1.00 0.00 H new ATOM 723 N HIS A 788 1.813 -5.861 -4.194 1.00 0.00 N ATOM 724 CA HIS A 788 2.397 -6.000 -5.523 1.00 0.00 C ATOM 725 C HIS A 788 2.421 -7.463 -5.956 1.00 0.00 C ATOM 726 O HIS A 788 1.931 -8.338 -5.245 1.00 0.00 O ATOM 727 CB HIS A 788 3.815 -5.427 -5.543 1.00 0.00 C ATOM 728 CG HIS A 788 4.207 -4.845 -6.866 1.00 0.00 C ATOM 729 ND1 HIS A 788 5.519 -4.652 -7.244 1.00 0.00 N ATOM 730 CD2 HIS A 788 3.451 -4.415 -7.904 1.00 0.00 C ATOM 731 CE1 HIS A 788 5.553 -4.126 -8.456 1.00 0.00 C ATOM 732 NE2 HIS A 788 4.311 -3.973 -8.879 1.00 0.00 N ATOM 0 H HIS A 788 2.494 -5.841 -3.434 1.00 0.00 H new ATOM 0 HA HIS A 788 1.778 -5.442 -6.225 1.00 0.00 H new ATOM 0 HB2 HIS A 788 3.897 -4.656 -4.777 1.00 0.00 H new ATOM 0 HB3 HIS A 788 4.520 -6.215 -5.279 1.00 0.00 H new ATOM 0 HD2 HIS A 788 2.372 -4.419 -7.955 1.00 0.00 H new ATOM 0 HE1 HIS A 788 6.445 -3.866 -9.007 1.00 0.00 H new ATOM 0 HE2 HIS A 788 4.036 -3.589 -9.783 1.00 0.00 H new ATOM 740 N ASN A 789 2.992 -7.719 -7.128 1.00 0.00 N ATOM 741 CA ASN A 789 3.078 -9.075 -7.657 1.00 0.00 C ATOM 742 C ASN A 789 3.710 -10.017 -6.637 1.00 0.00 C ATOM 743 O ASN A 789 4.931 -10.158 -6.579 1.00 0.00 O ATOM 744 CB ASN A 789 3.892 -9.089 -8.953 1.00 0.00 C ATOM 745 CG ASN A 789 3.107 -8.551 -10.134 1.00 0.00 C ATOM 746 OD1 ASN A 789 3.035 -7.341 -10.346 1.00 0.00 O ATOM 747 ND2 ASN A 789 2.513 -9.452 -10.909 1.00 0.00 N ATOM 0 H ASN A 789 3.402 -7.005 -7.730 1.00 0.00 H new ATOM 0 HA ASN A 789 2.066 -9.421 -7.868 1.00 0.00 H new ATOM 0 HB2 ASN A 789 4.795 -8.493 -8.818 1.00 0.00 H new ATOM 0 HB3 ASN A 789 4.212 -10.109 -9.167 1.00 0.00 H new ATOM 0 HD21 ASN A 789 1.970 -9.150 -11.718 1.00 0.00 H new ATOM 0 HD22 ASN A 789 2.600 -10.445 -10.695 1.00 0.00 H new ATOM 754 N GLY A 790 2.869 -10.661 -5.833 1.00 0.00 N ATOM 755 CA GLY A 790 3.363 -11.582 -4.827 1.00 0.00 C ATOM 756 C GLY A 790 3.999 -10.869 -3.650 1.00 0.00 C ATOM 757 O GLY A 790 4.739 -11.474 -2.876 1.00 0.00 O ATOM 0 H GLY A 790 1.854 -10.561 -5.861 1.00 0.00 H new ATOM 0 HA2 GLY A 790 2.540 -12.202 -4.471 1.00 0.00 H new ATOM 0 HA3 GLY A 790 4.094 -12.252 -5.280 1.00 0.00 H new ATOM 761 N MET A 791 3.711 -9.578 -3.517 1.00 0.00 N ATOM 762 CA MET A 791 4.261 -8.782 -2.426 1.00 0.00 C ATOM 763 C MET A 791 3.152 -8.061 -1.666 1.00 0.00 C ATOM 764 O MET A 791 2.138 -7.675 -2.248 1.00 0.00 O ATOM 765 CB MET A 791 5.268 -7.765 -2.966 1.00 0.00 C ATOM 766 CG MET A 791 6.284 -8.366 -3.924 1.00 0.00 C ATOM 767 SD MET A 791 6.928 -7.161 -5.100 1.00 0.00 S ATOM 768 CE MET A 791 7.380 -5.822 -4.000 1.00 0.00 C ATOM 0 H MET A 791 3.101 -9.062 -4.150 1.00 0.00 H new ATOM 0 HA MET A 791 4.770 -9.457 -1.738 1.00 0.00 H new ATOM 0 HB2 MET A 791 4.728 -6.967 -3.476 1.00 0.00 H new ATOM 0 HB3 MET A 791 5.796 -7.309 -2.129 1.00 0.00 H new ATOM 0 HG2 MET A 791 7.111 -8.788 -3.353 1.00 0.00 H new ATOM 0 HG3 MET A 791 5.821 -9.188 -4.469 1.00 0.00 H new ATOM 0 HE1 MET A 791 8.255 -5.306 -4.395 1.00 0.00 H new ATOM 0 HE2 MET A 791 6.550 -5.120 -3.921 1.00 0.00 H new ATOM 0 HE3 MET A 791 7.610 -6.224 -3.013 1.00 0.00 H new ATOM 778 N ARG A 792 3.351 -7.884 -0.364 1.00 0.00 N ATOM 779 CA ARG A 792 2.367 -7.211 0.475 1.00 0.00 C ATOM 780 C ARG A 792 3.052 -6.357 1.538 1.00 0.00 C ATOM 781 O ARG A 792 3.826 -6.861 2.350 1.00 0.00 O ATOM 782 CB ARG A 792 1.449 -8.236 1.143 1.00 0.00 C ATOM 783 CG ARG A 792 0.751 -9.161 0.159 1.00 0.00 C ATOM 784 CD ARG A 792 -0.248 -10.069 0.861 1.00 0.00 C ATOM 785 NE ARG A 792 0.391 -10.906 1.872 1.00 0.00 N ATOM 786 CZ ARG A 792 -0.243 -11.864 2.540 1.00 0.00 C ATOM 787 NH1 ARG A 792 -1.525 -12.104 2.304 1.00 0.00 N ATOM 788 NH2 ARG A 792 0.406 -12.584 3.446 1.00 0.00 N ATOM 0 H ARG A 792 4.185 -8.197 0.133 1.00 0.00 H new ATOM 0 HA ARG A 792 1.769 -6.558 -0.161 1.00 0.00 H new ATOM 0 HB2 ARG A 792 2.034 -8.836 1.840 1.00 0.00 H new ATOM 0 HB3 ARG A 792 0.697 -7.709 1.730 1.00 0.00 H new ATOM 0 HG2 ARG A 792 0.237 -8.568 -0.597 1.00 0.00 H new ATOM 0 HG3 ARG A 792 1.493 -9.767 -0.361 1.00 0.00 H new ATOM 0 HD2 ARG A 792 -1.023 -9.462 1.330 1.00 0.00 H new ATOM 0 HD3 ARG A 792 -0.742 -10.703 0.124 1.00 0.00 H new ATOM 0 HE ARG A 792 1.377 -10.747 2.077 1.00 0.00 H new ATOM 0 HH11 ARG A 792 -2.027 -11.553 1.608 1.00 0.00 H new ATOM 0 HH12 ARG A 792 -2.009 -12.840 2.818 1.00 0.00 H new ATOM 0 HH21 ARG A 792 1.393 -12.402 3.630 1.00 0.00 H new ATOM 0 HH22 ARG A 792 -0.082 -13.319 3.958 1.00 0.00 H new ATOM 802 N GLY A 793 2.761 -5.059 1.525 1.00 0.00 N ATOM 803 CA GLY A 793 3.357 -4.156 2.491 1.00 0.00 C ATOM 804 C GLY A 793 2.819 -2.744 2.374 1.00 0.00 C ATOM 805 O GLY A 793 1.703 -2.534 1.896 1.00 0.00 O ATOM 0 H GLY A 793 2.123 -4.618 0.863 1.00 0.00 H new ATOM 0 HA2 GLY A 793 3.170 -4.531 3.497 1.00 0.00 H new ATOM 0 HA3 GLY A 793 4.438 -4.142 2.352 1.00 0.00 H new ATOM 809 N LEU A 794 3.611 -1.772 2.812 1.00 0.00 N ATOM 810 CA LEU A 794 3.207 -0.371 2.755 1.00 0.00 C ATOM 811 C LEU A 794 3.579 0.249 1.413 1.00 0.00 C ATOM 812 O LEU A 794 4.180 -0.406 0.561 1.00 0.00 O ATOM 813 CB LEU A 794 3.862 0.415 3.892 1.00 0.00 C ATOM 814 CG LEU A 794 3.513 -0.038 5.310 1.00 0.00 C ATOM 815 CD1 LEU A 794 4.616 0.351 6.282 1.00 0.00 C ATOM 816 CD2 LEU A 794 2.181 0.554 5.747 1.00 0.00 C ATOM 0 H LEU A 794 4.537 -1.928 3.211 1.00 0.00 H new ATOM 0 HA LEU A 794 2.124 -0.326 2.867 1.00 0.00 H new ATOM 0 HB2 LEU A 794 4.944 0.358 3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 794 3.584 1.464 3.789 1.00 0.00 H new ATOM 0 HG LEU A 794 3.423 -1.124 5.311 1.00 0.00 H new ATOM 0 HD11 LEU A 794 4.350 0.020 7.286 1.00 0.00 H new ATOM 0 HD12 LEU A 794 5.550 -0.122 5.980 1.00 0.00 H new ATOM 0 HD13 LEU A 794 4.740 1.434 6.278 1.00 0.00 H new ATOM 0 HD21 LEU A 794 1.949 0.221 6.759 1.00 0.00 H new ATOM 0 HD22 LEU A 794 2.243 1.642 5.729 1.00 0.00 H new ATOM 0 HD23 LEU A 794 1.396 0.224 5.067 1.00 0.00 H new ATOM 828 N ILE A 795 3.220 1.516 1.232 1.00 0.00 N ATOM 829 CA ILE A 795 3.519 2.225 -0.006 1.00 0.00 C ATOM 830 C ILE A 795 3.704 3.717 0.247 1.00 0.00 C ATOM 831 O ILE A 795 2.904 4.362 0.925 1.00 0.00 O ATOM 832 CB ILE A 795 2.406 2.027 -1.051 1.00 0.00 C ATOM 833 CG1 ILE A 795 2.482 0.621 -1.649 1.00 0.00 C ATOM 834 CG2 ILE A 795 2.513 3.079 -2.145 1.00 0.00 C ATOM 835 CD1 ILE A 795 1.352 0.309 -2.606 1.00 0.00 C ATOM 0 H ILE A 795 2.722 2.072 1.927 1.00 0.00 H new ATOM 0 HA ILE A 795 4.448 1.806 -0.393 1.00 0.00 H new ATOM 0 HB ILE A 795 1.441 2.140 -0.557 1.00 0.00 H new ATOM 0 HG12 ILE A 795 3.432 0.508 -2.172 1.00 0.00 H new ATOM 0 HG13 ILE A 795 2.475 -0.110 -0.840 1.00 0.00 H new ATOM 0 HG21 ILE A 795 1.719 2.926 -2.876 1.00 0.00 H new ATOM 0 HG22 ILE A 795 2.415 4.072 -1.706 1.00 0.00 H new ATOM 0 HG23 ILE A 795 3.482 2.994 -2.638 1.00 0.00 H new ATOM 0 HD11 ILE A 795 1.470 -0.704 -2.991 1.00 0.00 H new ATOM 0 HD12 ILE A 795 0.399 0.389 -2.083 1.00 0.00 H new ATOM 0 HD13 ILE A 795 1.371 1.017 -3.435 1.00 0.00 H new ATOM 847 N PRO A 796 4.785 4.283 -0.313 1.00 0.00 N ATOM 848 CA PRO A 796 5.099 5.707 -0.164 1.00 0.00 C ATOM 849 C PRO A 796 4.120 6.599 -0.920 1.00 0.00 C ATOM 850 O PRO A 796 3.928 6.444 -2.126 1.00 0.00 O ATOM 851 CB PRO A 796 6.502 5.824 -0.765 1.00 0.00 C ATOM 852 CG PRO A 796 6.600 4.689 -1.725 1.00 0.00 C ATOM 853 CD PRO A 796 5.781 3.575 -1.134 1.00 0.00 C ATOM 0 HA PRO A 796 5.036 6.032 0.874 1.00 0.00 H new ATOM 0 HB2 PRO A 796 6.638 6.781 -1.269 1.00 0.00 H new ATOM 0 HB3 PRO A 796 7.270 5.757 0.006 1.00 0.00 H new ATOM 0 HG2 PRO A 796 6.221 4.974 -2.706 1.00 0.00 H new ATOM 0 HG3 PRO A 796 7.637 4.381 -1.861 1.00 0.00 H new ATOM 0 HD2 PRO A 796 5.308 2.970 -1.907 1.00 0.00 H new ATOM 0 HD3 PRO A 796 6.392 2.902 -0.533 1.00 0.00 H new ATOM 861 N HIS A 797 3.503 7.532 -0.202 1.00 0.00 N ATOM 862 CA HIS A 797 2.544 8.450 -0.806 1.00 0.00 C ATOM 863 C HIS A 797 3.260 9.545 -1.591 1.00 0.00 C ATOM 864 O HIS A 797 2.645 10.259 -2.384 1.00 0.00 O ATOM 865 CB HIS A 797 1.657 9.075 0.271 1.00 0.00 C ATOM 866 CG HIS A 797 0.789 10.186 -0.237 1.00 0.00 C ATOM 867 ND1 HIS A 797 -0.536 10.011 -0.576 1.00 0.00 N ATOM 868 CD2 HIS A 797 1.064 11.492 -0.463 1.00 0.00 C ATOM 869 CE1 HIS A 797 -1.038 11.161 -0.989 1.00 0.00 C ATOM 870 NE2 HIS A 797 -0.087 12.076 -0.929 1.00 0.00 N ATOM 0 H HIS A 797 3.650 7.672 0.798 1.00 0.00 H new ATOM 0 HA HIS A 797 1.920 7.882 -1.496 1.00 0.00 H new ATOM 0 HB2 HIS A 797 1.025 8.300 0.704 1.00 0.00 H new ATOM 0 HB3 HIS A 797 2.288 9.456 1.074 1.00 0.00 H new ATOM 0 HD2 HIS A 797 2.013 11.983 -0.306 1.00 0.00 H new ATOM 0 HE1 HIS A 797 -2.053 11.325 -1.319 1.00 0.00 H new ATOM 0 HE2 HIS A 797 -0.191 13.057 -1.187 1.00 0.00 H new ATOM 878 N LYS A 798 4.562 9.674 -1.364 1.00 0.00 N ATOM 879 CA LYS A 798 5.363 10.681 -2.049 1.00 0.00 C ATOM 880 C LYS A 798 5.850 10.164 -3.399 1.00 0.00 C ATOM 881 O LYS A 798 6.005 10.931 -4.350 1.00 0.00 O ATOM 882 CB LYS A 798 6.559 11.087 -1.185 1.00 0.00 C ATOM 883 CG LYS A 798 7.492 12.075 -1.862 1.00 0.00 C ATOM 884 CD LYS A 798 8.355 12.811 -0.851 1.00 0.00 C ATOM 885 CE LYS A 798 9.643 12.056 -0.563 1.00 0.00 C ATOM 886 NZ LYS A 798 10.731 12.966 -0.109 1.00 0.00 N ATOM 0 H LYS A 798 5.086 9.093 -0.710 1.00 0.00 H new ATOM 0 HA LYS A 798 4.733 11.554 -2.220 1.00 0.00 H new ATOM 0 HB2 LYS A 798 6.193 11.524 -0.256 1.00 0.00 H new ATOM 0 HB3 LYS A 798 7.123 10.193 -0.917 1.00 0.00 H new ATOM 0 HG2 LYS A 798 8.130 11.547 -2.570 1.00 0.00 H new ATOM 0 HG3 LYS A 798 6.907 12.795 -2.435 1.00 0.00 H new ATOM 0 HD2 LYS A 798 8.592 13.806 -1.229 1.00 0.00 H new ATOM 0 HD3 LYS A 798 7.797 12.947 0.075 1.00 0.00 H new ATOM 0 HE2 LYS A 798 9.458 11.301 0.202 1.00 0.00 H new ATOM 0 HE3 LYS A 798 9.963 11.528 -1.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 798 11.592 12.412 0.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 798 10.925 13.671 -0.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 798 10.437 13.451 0.763 1.00 0.00 H new ATOM 900 N TYR A 799 6.089 8.859 -3.476 1.00 0.00 N ATOM 901 CA TYR A 799 6.559 8.240 -4.709 1.00 0.00 C ATOM 902 C TYR A 799 5.393 7.671 -5.512 1.00 0.00 C ATOM 903 O TYR A 799 5.582 6.830 -6.391 1.00 0.00 O ATOM 904 CB TYR A 799 7.565 7.131 -4.396 1.00 0.00 C ATOM 905 CG TYR A 799 8.858 7.638 -3.797 1.00 0.00 C ATOM 906 CD1 TYR A 799 8.858 8.379 -2.621 1.00 0.00 C ATOM 907 CD2 TYR A 799 10.078 7.377 -4.407 1.00 0.00 C ATOM 908 CE1 TYR A 799 10.036 8.845 -2.071 1.00 0.00 C ATOM 909 CE2 TYR A 799 11.262 7.838 -3.863 1.00 0.00 C ATOM 910 CZ TYR A 799 11.235 8.571 -2.695 1.00 0.00 C ATOM 911 OH TYR A 799 12.412 9.033 -2.151 1.00 0.00 O ATOM 0 H TYR A 799 5.965 8.210 -2.699 1.00 0.00 H new ATOM 0 HA TYR A 799 7.049 9.008 -5.307 1.00 0.00 H new ATOM 0 HB2 TYR A 799 7.108 6.422 -3.706 1.00 0.00 H new ATOM 0 HB3 TYR A 799 7.788 6.585 -5.313 1.00 0.00 H new ATOM 0 HD1 TYR A 799 7.921 8.594 -2.129 1.00 0.00 H new ATOM 0 HD2 TYR A 799 10.102 6.804 -5.322 1.00 0.00 H new ATOM 0 HE1 TYR A 799 10.018 9.421 -1.157 1.00 0.00 H new ATOM 0 HE2 TYR A 799 12.203 7.626 -4.350 1.00 0.00 H new ATOM 0 HH TYR A 799 13.164 8.752 -2.713 1.00 0.00 H new ATOM 921 N ILE A 800 4.188 8.138 -5.204 1.00 0.00 N ATOM 922 CA ILE A 800 2.991 7.679 -5.897 1.00 0.00 C ATOM 923 C ILE A 800 1.984 8.812 -6.065 1.00 0.00 C ATOM 924 O ILE A 800 1.961 9.760 -5.279 1.00 0.00 O ATOM 925 CB ILE A 800 2.317 6.515 -5.146 1.00 0.00 C ATOM 926 CG1 ILE A 800 1.869 6.969 -3.755 1.00 0.00 C ATOM 927 CG2 ILE A 800 3.266 5.331 -5.043 1.00 0.00 C ATOM 928 CD1 ILE A 800 0.478 7.564 -3.733 1.00 0.00 C ATOM 0 H ILE A 800 4.015 8.834 -4.479 1.00 0.00 H new ATOM 0 HA ILE A 800 3.309 7.331 -6.880 1.00 0.00 H new ATOM 0 HB ILE A 800 1.436 6.201 -5.706 1.00 0.00 H new ATOM 0 HG12 ILE A 800 1.902 6.117 -3.075 1.00 0.00 H new ATOM 0 HG13 ILE A 800 2.577 7.706 -3.377 1.00 0.00 H new ATOM 0 HG21 ILE A 800 2.775 4.517 -4.510 1.00 0.00 H new ATOM 0 HG22 ILE A 800 3.540 4.996 -6.043 1.00 0.00 H new ATOM 0 HG23 ILE A 800 4.164 5.630 -4.502 1.00 0.00 H new ATOM 0 HD11 ILE A 800 0.227 7.864 -2.716 1.00 0.00 H new ATOM 0 HD12 ILE A 800 0.445 8.436 -4.387 1.00 0.00 H new ATOM 0 HD13 ILE A 800 -0.241 6.822 -4.081 1.00 0.00 H new ATOM 940 N THR A 801 1.149 8.707 -7.095 1.00 0.00 N ATOM 941 CA THR A 801 0.139 9.721 -7.366 1.00 0.00 C ATOM 942 C THR A 801 -1.258 9.111 -7.403 1.00 0.00 C ATOM 943 O THR A 801 -1.530 8.206 -8.194 1.00 0.00 O ATOM 944 CB THR A 801 0.408 10.439 -8.702 1.00 0.00 C ATOM 945 OG1 THR A 801 1.601 11.226 -8.603 1.00 0.00 O ATOM 946 CG2 THR A 801 -0.764 11.331 -9.083 1.00 0.00 C ATOM 0 H THR A 801 1.153 7.929 -7.755 1.00 0.00 H new ATOM 0 HA THR A 801 0.194 10.446 -6.554 1.00 0.00 H new ATOM 0 HB THR A 801 0.535 9.683 -9.477 1.00 0.00 H new ATOM 0 HG1 THR A 801 2.226 10.962 -9.310 1.00 0.00 H new ATOM 0 HG21 THR A 801 -0.551 11.827 -10.030 1.00 0.00 H new ATOM 0 HG22 THR A 801 -1.664 10.725 -9.186 1.00 0.00 H new ATOM 0 HG23 THR A 801 -0.918 12.081 -8.307 1.00 0.00 H new ATOM 954 N LEU A 802 -2.140 9.610 -6.545 1.00 0.00 N ATOM 955 CA LEU A 802 -3.510 9.114 -6.480 1.00 0.00 C ATOM 956 C LEU A 802 -4.362 9.722 -7.590 1.00 0.00 C ATOM 957 O LEU A 802 -4.104 10.826 -8.071 1.00 0.00 O ATOM 958 CB LEU A 802 -4.125 9.433 -5.116 1.00 0.00 C ATOM 959 CG LEU A 802 -3.441 8.796 -3.906 1.00 0.00 C ATOM 960 CD1 LEU A 802 -4.029 9.339 -2.613 1.00 0.00 C ATOM 961 CD2 LEU A 802 -3.570 7.280 -3.958 1.00 0.00 C ATOM 0 H LEU A 802 -1.931 10.358 -5.884 1.00 0.00 H new ATOM 0 HA LEU A 802 -3.486 8.033 -6.616 1.00 0.00 H new ATOM 0 HB2 LEU A 802 -4.122 10.515 -4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 802 -5.168 9.116 -5.127 1.00 0.00 H new ATOM 0 HG LEU A 802 -2.382 9.052 -3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 802 -3.530 8.874 -1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 802 -3.884 10.419 -2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 802 -5.095 9.114 -2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 802 -3.078 6.843 -3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 802 -4.625 7.004 -3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 802 -3.100 6.906 -4.868 1.00 0.00 H new ATOM 973 N PRO A 803 -5.405 8.987 -8.005 1.00 0.00 N ATOM 974 CA PRO A 803 -6.318 9.435 -9.061 1.00 0.00 C ATOM 975 C PRO A 803 -7.193 10.602 -8.614 1.00 0.00 C ATOM 976 O PRO A 803 -7.137 11.025 -7.459 1.00 0.00 O ATOM 977 CB PRO A 803 -7.176 8.198 -9.336 1.00 0.00 C ATOM 978 CG PRO A 803 -7.133 7.417 -8.068 1.00 0.00 C ATOM 979 CD PRO A 803 -5.772 7.663 -7.477 1.00 0.00 C ATOM 0 HA PRO A 803 -5.781 9.801 -9.936 1.00 0.00 H new ATOM 0 HB2 PRO A 803 -8.198 8.475 -9.596 1.00 0.00 H new ATOM 0 HB3 PRO A 803 -6.780 7.619 -10.171 1.00 0.00 H new ATOM 0 HG2 PRO A 803 -7.919 7.738 -7.385 1.00 0.00 H new ATOM 0 HG3 PRO A 803 -7.290 6.355 -8.258 1.00 0.00 H new ATOM 0 HD2 PRO A 803 -5.800 7.659 -6.387 1.00 0.00 H new ATOM 0 HD3 PRO A 803 -5.058 6.897 -7.780 1.00 0.00 H new