USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 498 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 Single : A 744 SER OG : rot 180:sc= 0 USER MOD Single : A 750 TYR OH : rot 178:sc= -0.726 USER MOD Single : A 758 THR OG1 : rot -83:sc= -0.985 USER MOD Single : A 760 SER OG : rot 180:sc= 0.101 USER MOD Single : A 764 SER OG : rot 180:sc= 0 USER MOD Single : A 766 SER OG : rot 180:sc= 0 USER MOD Single : A 769 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.24) USER MOD Single : A 771 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 773 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 776 TYR OH : rot 180:sc= 0 USER MOD Single : A 777 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 782 MET CE :methyl 133:sc= -5.76! (180deg=-10.1!) USER MOD Single : A 786 MET CE :methyl 163:sc= -4.88 (180deg=-4.98!) USER MOD Single : A 788 MET CE :methyl -164:sc= 0 (180deg=-0.274) USER MOD Single : A 793 THR OG1 : rot 156:sc= -1.64! USER MOD Single : A 795 MET CE :methyl -162:sc= -0.0209 (180deg=-0.386) USER MOD Single : A 796 ASN : amide:sc= -1.67 K(o=-1.7,f=-14!) USER MOD Single : A 797 THR OG1 : rot 180:sc= 0 USER MOD Single : A 798 ASN : amide:sc= -0.182 K(o=-0.18,f=-1.9!) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLY A 743 8.552 -0.464 7.141 1.00 0.00 N ATOM 37 CA GLY A 743 7.162 -0.363 6.741 1.00 0.00 C ATOM 38 C GLY A 743 6.259 0.052 7.886 1.00 0.00 C ATOM 39 O GLY A 743 5.332 -0.674 8.248 1.00 0.00 O ATOM 0 HA2 GLY A 743 7.072 0.360 5.930 1.00 0.00 H new ATOM 0 HA3 GLY A 743 6.829 -1.324 6.349 1.00 0.00 H new ATOM 43 N SER A 744 6.528 1.223 8.457 1.00 0.00 N ATOM 44 CA SER A 744 5.731 1.735 9.568 1.00 0.00 C ATOM 45 C SER A 744 5.075 3.057 9.189 1.00 0.00 C ATOM 46 O SER A 744 3.882 3.261 9.409 1.00 0.00 O ATOM 47 CB SER A 744 6.602 1.920 10.811 1.00 0.00 C ATOM 48 OG SER A 744 7.204 0.697 11.198 1.00 0.00 O ATOM 0 H SER A 744 7.291 1.835 8.169 1.00 0.00 H new ATOM 0 HA SER A 744 4.950 1.008 9.792 1.00 0.00 H new ATOM 0 HB2 SER A 744 7.375 2.662 10.610 1.00 0.00 H new ATOM 0 HB3 SER A 744 5.995 2.306 11.630 1.00 0.00 H new ATOM 0 HG SER A 744 7.757 0.842 11.994 1.00 0.00 H new ATOM 54 N GLU A 745 5.869 3.945 8.607 1.00 0.00 N ATOM 55 CA GLU A 745 5.384 5.249 8.176 1.00 0.00 C ATOM 56 C GLU A 745 6.312 5.832 7.123 1.00 0.00 C ATOM 57 O GLU A 745 5.867 6.299 6.075 1.00 0.00 O ATOM 58 CB GLU A 745 5.266 6.204 9.364 1.00 0.00 C ATOM 59 CG GLU A 745 4.422 7.432 9.064 1.00 0.00 C ATOM 60 CD GLU A 745 3.296 7.625 10.061 1.00 0.00 C ATOM 61 OE1 GLU A 745 3.590 7.816 11.259 1.00 0.00 O ATOM 62 OE2 GLU A 745 2.119 7.584 9.643 1.00 0.00 O ATOM 0 H GLU A 745 6.859 3.784 8.421 1.00 0.00 H new ATOM 0 HA GLU A 745 4.393 5.120 7.741 1.00 0.00 H new ATOM 0 HB2 GLU A 745 4.831 5.670 10.209 1.00 0.00 H new ATOM 0 HB3 GLU A 745 6.264 6.522 9.667 1.00 0.00 H new ATOM 0 HG2 GLU A 745 5.060 8.316 9.067 1.00 0.00 H new ATOM 0 HG3 GLU A 745 4.003 7.344 8.061 1.00 0.00 H new ATOM 69 N ASP A 746 7.608 5.784 7.403 1.00 0.00 N ATOM 70 CA ASP A 746 8.608 6.288 6.470 1.00 0.00 C ATOM 71 C ASP A 746 9.688 5.239 6.231 1.00 0.00 C ATOM 72 O ASP A 746 10.651 5.131 6.990 1.00 0.00 O ATOM 73 CB ASP A 746 9.236 7.575 7.005 1.00 0.00 C ATOM 74 CG ASP A 746 8.494 8.815 6.545 1.00 0.00 C ATOM 75 OD1 ASP A 746 7.991 8.815 5.401 1.00 0.00 O ATOM 76 OD2 ASP A 746 8.416 9.785 7.327 1.00 0.00 O ATOM 0 H ASP A 746 7.991 5.402 8.268 1.00 0.00 H new ATOM 0 HA ASP A 746 8.115 6.506 5.522 1.00 0.00 H new ATOM 0 HB2 ASP A 746 9.247 7.545 8.095 1.00 0.00 H new ATOM 0 HB3 ASP A 746 10.274 7.633 6.677 1.00 0.00 H new ATOM 81 N ASP A 747 9.515 4.475 5.161 1.00 0.00 N ATOM 82 CA ASP A 747 10.459 3.429 4.788 1.00 0.00 C ATOM 83 C ASP A 747 10.985 3.669 3.374 1.00 0.00 C ATOM 84 O ASP A 747 10.241 4.119 2.503 1.00 0.00 O ATOM 85 CB ASP A 747 9.783 2.057 4.868 1.00 0.00 C ATOM 86 CG ASP A 747 10.747 0.914 4.620 1.00 0.00 C ATOM 87 OD1 ASP A 747 11.153 0.723 3.454 1.00 0.00 O ATOM 88 OD2 ASP A 747 11.096 0.211 5.591 1.00 0.00 O ATOM 0 H ASP A 747 8.719 4.562 4.529 1.00 0.00 H new ATOM 0 HA ASP A 747 11.298 3.453 5.484 1.00 0.00 H new ATOM 0 HB2 ASP A 747 9.329 1.937 5.852 1.00 0.00 H new ATOM 0 HB3 ASP A 747 8.976 2.011 4.137 1.00 0.00 H new ATOM 93 N PRO A 748 12.273 3.366 3.123 1.00 0.00 N ATOM 94 CA PRO A 748 12.895 3.546 1.810 1.00 0.00 C ATOM 95 C PRO A 748 11.964 3.235 0.639 1.00 0.00 C ATOM 96 O PRO A 748 12.119 3.795 -0.446 1.00 0.00 O ATOM 97 CB PRO A 748 14.045 2.547 1.858 1.00 0.00 C ATOM 98 CG PRO A 748 14.478 2.561 3.285 1.00 0.00 C ATOM 99 CD PRO A 748 13.237 2.822 4.104 1.00 0.00 C ATOM 0 HA PRO A 748 13.190 4.581 1.639 1.00 0.00 H new ATOM 0 HB2 PRO A 748 13.723 1.553 1.549 1.00 0.00 H new ATOM 0 HB3 PRO A 748 14.856 2.841 1.192 1.00 0.00 H new ATOM 0 HG2 PRO A 748 14.933 1.610 3.562 1.00 0.00 H new ATOM 0 HG3 PRO A 748 15.226 3.335 3.456 1.00 0.00 H new ATOM 0 HD2 PRO A 748 12.864 1.908 4.567 1.00 0.00 H new ATOM 0 HD3 PRO A 748 13.431 3.531 4.909 1.00 0.00 H new ATOM 107 N LEU A 749 11.005 2.335 0.848 1.00 0.00 N ATOM 108 CA LEU A 749 10.082 1.966 -0.219 1.00 0.00 C ATOM 109 C LEU A 749 8.622 2.260 0.137 1.00 0.00 C ATOM 110 O LEU A 749 7.769 2.315 -0.749 1.00 0.00 O ATOM 111 CB LEU A 749 10.250 0.483 -0.551 1.00 0.00 C ATOM 112 CG LEU A 749 11.624 0.105 -1.109 1.00 0.00 C ATOM 113 CD1 LEU A 749 11.883 -1.387 -0.952 1.00 0.00 C ATOM 114 CD2 LEU A 749 11.733 0.521 -2.567 1.00 0.00 C ATOM 0 H LEU A 749 10.849 1.855 1.734 1.00 0.00 H new ATOM 0 HA LEU A 749 10.327 2.577 -1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 749 10.066 -0.101 0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 749 9.487 0.198 -1.276 1.00 0.00 H new ATOM 0 HG LEU A 749 12.385 0.638 -0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 749 12.866 -1.630 -1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 749 11.849 -1.653 0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 749 11.120 -1.948 -1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 749 12.715 0.246 -2.951 1.00 0.00 H new ATOM 0 HD22 LEU A 749 10.962 0.016 -3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 749 11.600 1.600 -2.648 1.00 0.00 H new ATOM 126 N TYR A 750 8.326 2.461 1.421 1.00 0.00 N ATOM 127 CA TYR A 750 6.951 2.748 1.834 1.00 0.00 C ATOM 128 C TYR A 750 6.381 3.914 1.048 1.00 0.00 C ATOM 129 O TYR A 750 5.301 3.815 0.484 1.00 0.00 O ATOM 130 CB TYR A 750 6.865 3.054 3.323 1.00 0.00 C ATOM 131 CG TYR A 750 5.462 3.378 3.800 1.00 0.00 C ATOM 132 CD1 TYR A 750 4.585 2.365 4.164 1.00 0.00 C ATOM 133 CD2 TYR A 750 5.025 4.694 3.911 1.00 0.00 C ATOM 134 CE1 TYR A 750 3.312 2.651 4.619 1.00 0.00 C ATOM 135 CE2 TYR A 750 3.757 4.988 4.375 1.00 0.00 C ATOM 136 CZ TYR A 750 2.905 3.962 4.725 1.00 0.00 C ATOM 137 OH TYR A 750 1.643 4.252 5.190 1.00 0.00 O ATOM 0 H TYR A 750 9.005 2.432 2.181 1.00 0.00 H new ATOM 0 HA TYR A 750 6.364 1.853 1.628 1.00 0.00 H new ATOM 0 HB2 TYR A 750 7.241 2.198 3.883 1.00 0.00 H new ATOM 0 HB3 TYR A 750 7.520 3.895 3.550 1.00 0.00 H new ATOM 0 HD1 TYR A 750 4.903 1.336 4.090 1.00 0.00 H new ATOM 0 HD2 TYR A 750 5.688 5.499 3.630 1.00 0.00 H new ATOM 0 HE1 TYR A 750 2.640 1.850 4.890 1.00 0.00 H new ATOM 0 HE2 TYR A 750 3.435 6.015 4.463 1.00 0.00 H new ATOM 0 HH TYR A 750 1.526 5.224 5.235 1.00 0.00 H new ATOM 147 N ASP A 751 7.113 5.018 1.003 1.00 0.00 N ATOM 148 CA ASP A 751 6.655 6.187 0.267 1.00 0.00 C ATOM 149 C ASP A 751 6.306 5.783 -1.156 1.00 0.00 C ATOM 150 O ASP A 751 5.357 6.298 -1.749 1.00 0.00 O ATOM 151 CB ASP A 751 7.739 7.264 0.250 1.00 0.00 C ATOM 152 CG ASP A 751 9.043 6.756 -0.334 1.00 0.00 C ATOM 153 OD1 ASP A 751 9.705 5.927 0.325 1.00 0.00 O ATOM 154 OD2 ASP A 751 9.400 7.184 -1.452 1.00 0.00 O ATOM 0 H ASP A 751 8.017 5.129 1.462 1.00 0.00 H new ATOM 0 HA ASP A 751 5.771 6.593 0.759 1.00 0.00 H new ATOM 0 HB2 ASP A 751 7.391 8.118 -0.331 1.00 0.00 H new ATOM 0 HB3 ASP A 751 7.912 7.619 1.266 1.00 0.00 H new ATOM 159 N GLU A 752 7.070 4.834 -1.687 1.00 0.00 N ATOM 160 CA GLU A 752 6.839 4.328 -3.028 1.00 0.00 C ATOM 161 C GLU A 752 5.566 3.486 -3.061 1.00 0.00 C ATOM 162 O GLU A 752 4.761 3.590 -3.986 1.00 0.00 O ATOM 163 CB GLU A 752 8.047 3.514 -3.492 1.00 0.00 C ATOM 164 CG GLU A 752 8.024 3.163 -4.969 1.00 0.00 C ATOM 165 CD GLU A 752 8.177 4.383 -5.858 1.00 0.00 C ATOM 166 OE1 GLU A 752 9.324 4.836 -6.053 1.00 0.00 O ATOM 167 OE2 GLU A 752 7.149 4.883 -6.361 1.00 0.00 O ATOM 0 H GLU A 752 7.857 4.401 -1.204 1.00 0.00 H new ATOM 0 HA GLU A 752 6.707 5.167 -3.711 1.00 0.00 H new ATOM 0 HB2 GLU A 752 8.956 4.076 -3.277 1.00 0.00 H new ATOM 0 HB3 GLU A 752 8.097 2.593 -2.911 1.00 0.00 H new ATOM 0 HG2 GLU A 752 8.827 2.458 -5.184 1.00 0.00 H new ATOM 0 HG3 GLU A 752 7.086 2.660 -5.205 1.00 0.00 H new ATOM 174 N ALA A 753 5.389 2.660 -2.030 1.00 0.00 N ATOM 175 CA ALA A 753 4.208 1.809 -1.921 1.00 0.00 C ATOM 176 C ALA A 753 2.957 2.662 -1.793 1.00 0.00 C ATOM 177 O ALA A 753 2.011 2.520 -2.565 1.00 0.00 O ATOM 178 CB ALA A 753 4.336 0.877 -0.725 1.00 0.00 C ATOM 0 H ALA A 753 6.050 2.563 -1.259 1.00 0.00 H new ATOM 0 HA ALA A 753 4.129 1.205 -2.825 1.00 0.00 H new ATOM 0 HB1 ALA A 753 3.448 0.249 -0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 753 5.217 0.247 -0.847 1.00 0.00 H new ATOM 0 HB3 ALA A 753 4.434 1.466 0.187 1.00 0.00 H new ATOM 184 N VAL A 754 2.974 3.563 -0.819 1.00 0.00 N ATOM 185 CA VAL A 754 1.861 4.465 -0.584 1.00 0.00 C ATOM 186 C VAL A 754 1.554 5.250 -1.853 1.00 0.00 C ATOM 187 O VAL A 754 0.393 5.465 -2.201 1.00 0.00 O ATOM 188 CB VAL A 754 2.197 5.426 0.576 1.00 0.00 C ATOM 189 CG1 VAL A 754 1.345 6.683 0.549 1.00 0.00 C ATOM 190 CG2 VAL A 754 2.048 4.703 1.903 1.00 0.00 C ATOM 0 H VAL A 754 3.756 3.686 -0.175 1.00 0.00 H new ATOM 0 HA VAL A 754 0.980 3.884 -0.310 1.00 0.00 H new ATOM 0 HB VAL A 754 3.232 5.746 0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 754 1.619 7.327 1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 754 1.511 7.215 -0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 754 0.293 6.411 0.631 1.00 0.00 H new ATOM 0 HG21 VAL A 754 2.286 5.386 2.718 1.00 0.00 H new ATOM 0 HG22 VAL A 754 1.022 4.351 2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 754 2.728 3.852 1.932 1.00 0.00 H new ATOM 200 N ARG A 755 2.607 5.648 -2.554 1.00 0.00 N ATOM 201 CA ARG A 755 2.461 6.379 -3.802 1.00 0.00 C ATOM 202 C ARG A 755 1.868 5.465 -4.864 1.00 0.00 C ATOM 203 O ARG A 755 1.087 5.893 -5.715 1.00 0.00 O ATOM 204 CB ARG A 755 3.818 6.906 -4.268 1.00 0.00 C ATOM 205 CG ARG A 755 3.719 7.952 -5.365 1.00 0.00 C ATOM 206 CD ARG A 755 5.091 8.460 -5.780 1.00 0.00 C ATOM 207 NE ARG A 755 5.231 9.895 -5.551 1.00 0.00 N ATOM 208 CZ ARG A 755 6.037 10.686 -6.257 1.00 0.00 C ATOM 209 NH1 ARG A 755 6.791 10.184 -7.229 1.00 0.00 N ATOM 210 NH2 ARG A 755 6.093 11.983 -5.989 1.00 0.00 N ATOM 0 H ARG A 755 3.573 5.476 -2.277 1.00 0.00 H new ATOM 0 HA ARG A 755 1.793 7.225 -3.641 1.00 0.00 H new ATOM 0 HB2 ARG A 755 4.345 7.334 -3.415 1.00 0.00 H new ATOM 0 HB3 ARG A 755 4.419 6.071 -4.627 1.00 0.00 H new ATOM 0 HG2 ARG A 755 3.211 7.526 -6.230 1.00 0.00 H new ATOM 0 HG3 ARG A 755 3.111 8.787 -5.018 1.00 0.00 H new ATOM 0 HD2 ARG A 755 5.860 7.926 -5.222 1.00 0.00 H new ATOM 0 HD3 ARG A 755 5.255 8.243 -6.836 1.00 0.00 H new ATOM 0 HE ARG A 755 4.678 10.317 -4.805 1.00 0.00 H new ATOM 0 HH11 ARG A 755 6.755 9.186 -7.439 1.00 0.00 H new ATOM 0 HH12 ARG A 755 7.406 10.796 -7.765 1.00 0.00 H new ATOM 0 HH21 ARG A 755 5.519 12.375 -5.242 1.00 0.00 H new ATOM 0 HH22 ARG A 755 6.710 12.589 -6.529 1.00 0.00 H new ATOM 224 N PHE A 756 2.257 4.197 -4.801 1.00 0.00 N ATOM 225 CA PHE A 756 1.786 3.198 -5.743 1.00 0.00 C ATOM 226 C PHE A 756 0.300 2.905 -5.535 1.00 0.00 C ATOM 227 O PHE A 756 -0.470 2.852 -6.495 1.00 0.00 O ATOM 228 CB PHE A 756 2.611 1.917 -5.576 1.00 0.00 C ATOM 229 CG PHE A 756 1.890 0.672 -5.985 1.00 0.00 C ATOM 230 CD1 PHE A 756 1.803 0.314 -7.317 1.00 0.00 C ATOM 231 CD2 PHE A 756 1.292 -0.134 -5.034 1.00 0.00 C ATOM 232 CE1 PHE A 756 1.134 -0.830 -7.696 1.00 0.00 C ATOM 233 CE2 PHE A 756 0.620 -1.278 -5.404 1.00 0.00 C ATOM 234 CZ PHE A 756 0.541 -1.629 -6.738 1.00 0.00 C ATOM 0 H PHE A 756 2.904 3.837 -4.099 1.00 0.00 H new ATOM 0 HA PHE A 756 1.910 3.582 -6.756 1.00 0.00 H new ATOM 0 HB2 PHE A 756 3.524 2.006 -6.164 1.00 0.00 H new ATOM 0 HB3 PHE A 756 2.912 1.824 -4.532 1.00 0.00 H new ATOM 0 HD1 PHE A 756 2.264 0.937 -8.069 1.00 0.00 H new ATOM 0 HD2 PHE A 756 1.352 0.136 -3.990 1.00 0.00 H new ATOM 0 HE1 PHE A 756 1.074 -1.101 -8.740 1.00 0.00 H new ATOM 0 HE2 PHE A 756 0.156 -1.900 -4.653 1.00 0.00 H new ATOM 0 HZ PHE A 756 0.017 -2.526 -7.031 1.00 0.00 H new ATOM 244 N VAL A 757 -0.098 2.714 -4.280 1.00 0.00 N ATOM 245 CA VAL A 757 -1.482 2.431 -3.958 1.00 0.00 C ATOM 246 C VAL A 757 -2.354 3.664 -4.154 1.00 0.00 C ATOM 247 O VAL A 757 -3.485 3.569 -4.628 1.00 0.00 O ATOM 248 CB VAL A 757 -1.621 1.928 -2.514 1.00 0.00 C ATOM 249 CG1 VAL A 757 -3.031 1.442 -2.262 1.00 0.00 C ATOM 250 CG2 VAL A 757 -0.612 0.824 -2.233 1.00 0.00 C ATOM 0 H VAL A 757 0.524 2.751 -3.473 1.00 0.00 H new ATOM 0 HA VAL A 757 -1.819 1.649 -4.638 1.00 0.00 H new ATOM 0 HB VAL A 757 -1.415 2.756 -1.836 1.00 0.00 H new ATOM 0 HG11 VAL A 757 -3.116 1.088 -1.235 1.00 0.00 H new ATOM 0 HG12 VAL A 757 -3.732 2.261 -2.423 1.00 0.00 H new ATOM 0 HG13 VAL A 757 -3.263 0.626 -2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 757 -0.726 0.480 -1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 757 -0.784 -0.009 -2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 757 0.398 1.208 -2.377 1.00 0.00 H new ATOM 260 N THR A 758 -1.819 4.823 -3.786 1.00 0.00 N ATOM 261 CA THR A 758 -2.547 6.076 -3.925 1.00 0.00 C ATOM 262 C THR A 758 -2.839 6.370 -5.393 1.00 0.00 C ATOM 263 O THR A 758 -3.930 6.821 -5.743 1.00 0.00 O ATOM 264 CB THR A 758 -1.741 7.222 -3.319 1.00 0.00 C ATOM 265 OG1 THR A 758 -0.402 7.193 -3.779 1.00 0.00 O ATOM 266 CG2 THR A 758 -1.709 7.198 -1.806 1.00 0.00 C ATOM 0 H THR A 758 -0.884 4.919 -3.390 1.00 0.00 H new ATOM 0 HA THR A 758 -3.494 5.982 -3.393 1.00 0.00 H new ATOM 0 HB THR A 758 -2.248 8.132 -3.640 1.00 0.00 H new ATOM 0 HG1 THR A 758 0.117 6.563 -3.237 1.00 0.00 H new ATOM 0 HG21 THR A 758 -1.120 8.039 -1.441 1.00 0.00 H new ATOM 0 HG22 THR A 758 -2.725 7.272 -1.419 1.00 0.00 H new ATOM 0 HG23 THR A 758 -1.259 6.265 -1.466 1.00 0.00 H new ATOM 274 N GLU A 759 -1.853 6.115 -6.246 1.00 0.00 N ATOM 275 CA GLU A 759 -1.996 6.353 -7.677 1.00 0.00 C ATOM 276 C GLU A 759 -2.828 5.257 -8.337 1.00 0.00 C ATOM 277 O GLU A 759 -3.733 5.542 -9.123 1.00 0.00 O ATOM 278 CB GLU A 759 -0.620 6.434 -8.339 1.00 0.00 C ATOM 279 CG GLU A 759 -0.064 7.846 -8.419 1.00 0.00 C ATOM 280 CD GLU A 759 1.344 7.887 -8.979 1.00 0.00 C ATOM 281 OE1 GLU A 759 2.143 6.988 -8.643 1.00 0.00 O ATOM 282 OE2 GLU A 759 1.648 8.820 -9.752 1.00 0.00 O ATOM 0 H GLU A 759 -0.944 5.743 -5.970 1.00 0.00 H new ATOM 0 HA GLU A 759 -2.515 7.302 -7.810 1.00 0.00 H new ATOM 0 HB2 GLU A 759 0.079 5.809 -7.783 1.00 0.00 H new ATOM 0 HB3 GLU A 759 -0.686 6.021 -9.346 1.00 0.00 H new ATOM 0 HG2 GLU A 759 -0.717 8.455 -9.044 1.00 0.00 H new ATOM 0 HG3 GLU A 759 -0.069 8.291 -7.424 1.00 0.00 H new ATOM 289 N SER A 760 -2.517 4.005 -8.017 1.00 0.00 N ATOM 290 CA SER A 760 -3.237 2.870 -8.584 1.00 0.00 C ATOM 291 C SER A 760 -4.652 2.786 -8.023 1.00 0.00 C ATOM 292 O SER A 760 -5.580 2.381 -8.720 1.00 0.00 O ATOM 293 CB SER A 760 -2.486 1.567 -8.302 1.00 0.00 C ATOM 294 OG SER A 760 -2.728 1.115 -6.982 1.00 0.00 O ATOM 0 H SER A 760 -1.772 3.751 -7.369 1.00 0.00 H new ATOM 0 HA SER A 760 -3.301 3.017 -9.662 1.00 0.00 H new ATOM 0 HB2 SER A 760 -2.797 0.803 -9.014 1.00 0.00 H new ATOM 0 HB3 SER A 760 -1.417 1.721 -8.447 1.00 0.00 H new ATOM 0 HG SER A 760 -2.238 0.280 -6.827 1.00 0.00 H new ATOM 300 N ARG A 761 -4.802 3.174 -6.757 1.00 0.00 N ATOM 301 CA ARG A 761 -6.097 3.152 -6.074 1.00 0.00 C ATOM 302 C ARG A 761 -6.467 1.738 -5.625 1.00 0.00 C ATOM 303 O ARG A 761 -7.642 1.427 -5.432 1.00 0.00 O ATOM 304 CB ARG A 761 -7.202 3.726 -6.968 1.00 0.00 C ATOM 305 CG ARG A 761 -6.904 5.126 -7.481 1.00 0.00 C ATOM 306 CD ARG A 761 -7.343 6.190 -6.488 1.00 0.00 C ATOM 307 NE ARG A 761 -8.335 7.098 -7.061 1.00 0.00 N ATOM 308 CZ ARG A 761 -8.653 8.277 -6.531 1.00 0.00 C ATOM 309 NH1 ARG A 761 -8.059 8.697 -5.422 1.00 0.00 N ATOM 310 NH2 ARG A 761 -9.569 9.039 -7.115 1.00 0.00 N ATOM 0 H ARG A 761 -4.034 3.511 -6.177 1.00 0.00 H new ATOM 0 HA ARG A 761 -6.005 3.780 -5.188 1.00 0.00 H new ATOM 0 HB2 ARG A 761 -7.352 3.061 -7.818 1.00 0.00 H new ATOM 0 HB3 ARG A 761 -8.137 3.744 -6.409 1.00 0.00 H new ATOM 0 HG2 ARG A 761 -5.835 5.224 -7.672 1.00 0.00 H new ATOM 0 HG3 ARG A 761 -7.414 5.282 -8.432 1.00 0.00 H new ATOM 0 HD2 ARG A 761 -7.760 5.710 -5.603 1.00 0.00 H new ATOM 0 HD3 ARG A 761 -6.474 6.762 -6.161 1.00 0.00 H new ATOM 0 HE ARG A 761 -8.811 6.812 -7.916 1.00 0.00 H new ATOM 0 HH11 ARG A 761 -7.354 8.115 -4.970 1.00 0.00 H new ATOM 0 HH12 ARG A 761 -8.308 9.602 -5.021 1.00 0.00 H new ATOM 0 HH21 ARG A 761 -10.028 8.721 -7.969 1.00 0.00 H new ATOM 0 HH22 ARG A 761 -9.814 9.943 -6.710 1.00 0.00 H new ATOM 324 N ARG A 762 -5.457 0.889 -5.453 1.00 0.00 N ATOM 325 CA ARG A 762 -5.676 -0.490 -5.018 1.00 0.00 C ATOM 326 C ARG A 762 -4.539 -0.952 -4.117 1.00 0.00 C ATOM 327 O ARG A 762 -3.396 -1.069 -4.558 1.00 0.00 O ATOM 328 CB ARG A 762 -5.783 -1.431 -6.219 1.00 0.00 C ATOM 329 CG ARG A 762 -6.986 -1.162 -7.109 1.00 0.00 C ATOM 330 CD ARG A 762 -6.658 -0.171 -8.215 1.00 0.00 C ATOM 331 NE ARG A 762 -5.346 -0.420 -8.813 1.00 0.00 N ATOM 332 CZ ARG A 762 -5.081 -1.449 -9.613 1.00 0.00 C ATOM 333 NH1 ARG A 762 -6.035 -2.318 -9.927 1.00 0.00 N ATOM 334 NH2 ARG A 762 -3.859 -1.610 -10.103 1.00 0.00 N ATOM 0 H ARG A 762 -4.478 1.131 -5.608 1.00 0.00 H new ATOM 0 HA ARG A 762 -6.613 -0.517 -4.462 1.00 0.00 H new ATOM 0 HB2 ARG A 762 -4.875 -1.346 -6.817 1.00 0.00 H new ATOM 0 HB3 ARG A 762 -5.832 -2.459 -5.859 1.00 0.00 H new ATOM 0 HG2 ARG A 762 -7.329 -2.098 -7.549 1.00 0.00 H new ATOM 0 HG3 ARG A 762 -7.806 -0.774 -6.505 1.00 0.00 H new ATOM 0 HD2 ARG A 762 -7.424 -0.227 -8.989 1.00 0.00 H new ATOM 0 HD3 ARG A 762 -6.685 0.842 -7.812 1.00 0.00 H new ATOM 0 HE ARG A 762 -4.591 0.233 -8.604 1.00 0.00 H new ATOM 0 HH11 ARG A 762 -6.977 -2.198 -9.554 1.00 0.00 H new ATOM 0 HH12 ARG A 762 -5.826 -3.105 -10.541 1.00 0.00 H new ATOM 0 HH21 ARG A 762 -3.123 -0.945 -9.866 1.00 0.00 H new ATOM 0 HH22 ARG A 762 -3.655 -2.399 -10.717 1.00 0.00 H new ATOM 348 N ALA A 763 -4.852 -1.209 -2.853 1.00 0.00 N ATOM 349 CA ALA A 763 -3.844 -1.654 -1.902 1.00 0.00 C ATOM 350 C ALA A 763 -3.700 -3.170 -1.912 1.00 0.00 C ATOM 351 O ALA A 763 -4.354 -3.874 -1.145 1.00 0.00 O ATOM 352 CB ALA A 763 -4.187 -1.166 -0.502 1.00 0.00 C ATOM 0 H ALA A 763 -5.791 -1.117 -2.465 1.00 0.00 H new ATOM 0 HA ALA A 763 -2.888 -1.226 -2.204 1.00 0.00 H new ATOM 0 HB1 ALA A 763 -3.425 -1.506 0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 763 -4.226 -0.077 -0.496 1.00 0.00 H new ATOM 0 HB3 ALA A 763 -5.157 -1.565 -0.205 1.00 0.00 H new ATOM 358 N SER A 764 -2.819 -3.667 -2.767 1.00 0.00 N ATOM 359 CA SER A 764 -2.568 -5.098 -2.859 1.00 0.00 C ATOM 360 C SER A 764 -1.083 -5.362 -2.716 1.00 0.00 C ATOM 361 O SER A 764 -0.283 -4.896 -3.519 1.00 0.00 O ATOM 362 CB SER A 764 -3.077 -5.650 -4.191 1.00 0.00 C ATOM 363 OG SER A 764 -4.431 -5.293 -4.407 1.00 0.00 O ATOM 0 H SER A 764 -2.265 -3.100 -3.408 1.00 0.00 H new ATOM 0 HA SER A 764 -3.103 -5.603 -2.055 1.00 0.00 H new ATOM 0 HB2 SER A 764 -2.462 -5.267 -5.006 1.00 0.00 H new ATOM 0 HB3 SER A 764 -2.978 -6.735 -4.200 1.00 0.00 H new ATOM 0 HG SER A 764 -4.732 -5.656 -5.266 1.00 0.00 H new ATOM 369 N ILE A 765 -0.720 -6.104 -1.682 1.00 0.00 N ATOM 370 CA ILE A 765 0.679 -6.412 -1.428 1.00 0.00 C ATOM 371 C ILE A 765 1.350 -7.011 -2.656 1.00 0.00 C ATOM 372 O ILE A 765 2.457 -6.618 -3.025 1.00 0.00 O ATOM 373 CB ILE A 765 0.847 -7.377 -0.245 1.00 0.00 C ATOM 374 CG1 ILE A 765 -0.016 -6.942 0.945 1.00 0.00 C ATOM 375 CG2 ILE A 765 2.310 -7.445 0.151 1.00 0.00 C ATOM 376 CD1 ILE A 765 -0.320 -8.064 1.914 1.00 0.00 C ATOM 0 H ILE A 765 -1.372 -6.503 -1.007 1.00 0.00 H new ATOM 0 HA ILE A 765 1.160 -5.465 -1.181 1.00 0.00 H new ATOM 0 HB ILE A 765 0.513 -8.369 -0.550 1.00 0.00 H new ATOM 0 HG12 ILE A 765 0.494 -6.140 1.479 1.00 0.00 H new ATOM 0 HG13 ILE A 765 -0.954 -6.531 0.572 1.00 0.00 H new ATOM 0 HG21 ILE A 765 2.428 -8.130 0.991 1.00 0.00 H new ATOM 0 HG22 ILE A 765 2.899 -7.801 -0.694 1.00 0.00 H new ATOM 0 HG23 ILE A 765 2.655 -6.453 0.441 1.00 0.00 H new ATOM 0 HD11 ILE A 765 -0.934 -7.683 2.730 1.00 0.00 H new ATOM 0 HD12 ILE A 765 -0.858 -8.857 1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 765 0.612 -8.460 2.316 1.00 0.00 H new ATOM 388 N SER A 766 0.675 -7.960 -3.291 1.00 0.00 N ATOM 389 CA SER A 766 1.210 -8.603 -4.481 1.00 0.00 C ATOM 390 C SER A 766 1.436 -7.573 -5.583 1.00 0.00 C ATOM 391 O SER A 766 2.418 -7.637 -6.323 1.00 0.00 O ATOM 392 CB SER A 766 0.258 -9.697 -4.959 1.00 0.00 C ATOM 393 OG SER A 766 0.522 -10.054 -6.306 1.00 0.00 O ATOM 0 H SER A 766 -0.242 -8.300 -3.002 1.00 0.00 H new ATOM 0 HA SER A 766 2.169 -9.059 -4.234 1.00 0.00 H new ATOM 0 HB2 SER A 766 0.359 -10.575 -4.321 1.00 0.00 H new ATOM 0 HB3 SER A 766 -0.772 -9.352 -4.866 1.00 0.00 H new ATOM 0 HG SER A 766 -0.101 -10.757 -6.586 1.00 0.00 H new ATOM 399 N ALA A 767 0.524 -6.613 -5.674 1.00 0.00 N ATOM 400 CA ALA A 767 0.625 -5.559 -6.672 1.00 0.00 C ATOM 401 C ALA A 767 1.720 -4.570 -6.295 1.00 0.00 C ATOM 402 O ALA A 767 2.423 -4.049 -7.160 1.00 0.00 O ATOM 403 CB ALA A 767 -0.710 -4.847 -6.823 1.00 0.00 C ATOM 0 H ALA A 767 -0.294 -6.544 -5.068 1.00 0.00 H new ATOM 0 HA ALA A 767 0.887 -6.010 -7.629 1.00 0.00 H new ATOM 0 HB1 ALA A 767 -0.620 -4.061 -7.573 1.00 0.00 H new ATOM 0 HB2 ALA A 767 -1.470 -5.562 -7.136 1.00 0.00 H new ATOM 0 HB3 ALA A 767 -0.998 -4.407 -5.868 1.00 0.00 H new ATOM 409 N VAL A 768 1.874 -4.329 -4.996 1.00 0.00 N ATOM 410 CA VAL A 768 2.901 -3.416 -4.517 1.00 0.00 C ATOM 411 C VAL A 768 4.274 -4.006 -4.772 1.00 0.00 C ATOM 412 O VAL A 768 5.163 -3.329 -5.273 1.00 0.00 O ATOM 413 CB VAL A 768 2.774 -3.116 -3.010 1.00 0.00 C ATOM 414 CG1 VAL A 768 3.794 -2.070 -2.590 1.00 0.00 C ATOM 415 CG2 VAL A 768 1.373 -2.649 -2.664 1.00 0.00 C ATOM 0 H VAL A 768 1.304 -4.751 -4.263 1.00 0.00 H new ATOM 0 HA VAL A 768 2.767 -2.482 -5.063 1.00 0.00 H new ATOM 0 HB VAL A 768 2.970 -4.039 -2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 768 3.691 -1.869 -1.524 1.00 0.00 H new ATOM 0 HG12 VAL A 768 4.799 -2.439 -2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 768 3.624 -1.151 -3.150 1.00 0.00 H new ATOM 0 HG21 VAL A 768 1.311 -2.444 -1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 768 1.144 -1.740 -3.221 1.00 0.00 H new ATOM 0 HG23 VAL A 768 0.655 -3.426 -2.927 1.00 0.00 H new ATOM 425 N GLN A 769 4.443 -5.276 -4.425 1.00 0.00 N ATOM 426 CA GLN A 769 5.718 -5.939 -4.625 1.00 0.00 C ATOM 427 C GLN A 769 6.033 -6.050 -6.107 1.00 0.00 C ATOM 428 O GLN A 769 7.194 -5.970 -6.514 1.00 0.00 O ATOM 429 CB GLN A 769 5.733 -7.321 -3.967 1.00 0.00 C ATOM 430 CG GLN A 769 4.688 -8.276 -4.514 1.00 0.00 C ATOM 431 CD GLN A 769 5.254 -9.650 -4.819 1.00 0.00 C ATOM 432 OE1 GLN A 769 5.241 -10.098 -5.965 1.00 0.00 O ATOM 433 NE2 GLN A 769 5.754 -10.325 -3.791 1.00 0.00 N ATOM 0 H GLN A 769 3.718 -5.860 -4.008 1.00 0.00 H new ATOM 0 HA GLN A 769 6.490 -5.334 -4.149 1.00 0.00 H new ATOM 0 HB2 GLN A 769 6.720 -7.764 -4.099 1.00 0.00 H new ATOM 0 HB3 GLN A 769 5.577 -7.203 -2.895 1.00 0.00 H new ATOM 0 HG2 GLN A 769 3.877 -8.373 -3.792 1.00 0.00 H new ATOM 0 HG3 GLN A 769 4.257 -7.855 -5.422 1.00 0.00 H new ATOM 0 HE21 GLN A 769 5.744 -9.914 -2.858 1.00 0.00 H new ATOM 0 HE22 GLN A 769 6.148 -11.255 -3.935 1.00 0.00 H new ATOM 442 N ARG A 770 4.988 -6.230 -6.909 1.00 0.00 N ATOM 443 CA ARG A 770 5.138 -6.349 -8.351 1.00 0.00 C ATOM 444 C ARG A 770 5.512 -5.006 -8.981 1.00 0.00 C ATOM 445 O ARG A 770 6.366 -4.941 -9.866 1.00 0.00 O ATOM 446 CB ARG A 770 3.835 -6.872 -8.960 1.00 0.00 C ATOM 447 CG ARG A 770 3.881 -8.347 -9.315 1.00 0.00 C ATOM 448 CD ARG A 770 2.667 -8.759 -10.134 1.00 0.00 C ATOM 449 NE ARG A 770 2.550 -10.213 -10.254 1.00 0.00 N ATOM 450 CZ ARG A 770 2.878 -10.903 -11.346 1.00 0.00 C ATOM 451 NH1 ARG A 770 3.354 -10.286 -12.421 1.00 0.00 N ATOM 452 NH2 ARG A 770 2.729 -12.220 -11.362 1.00 0.00 N ATOM 0 H ARG A 770 4.025 -6.297 -6.580 1.00 0.00 H new ATOM 0 HA ARG A 770 5.945 -7.052 -8.557 1.00 0.00 H new ATOM 0 HB2 ARG A 770 3.020 -6.701 -8.256 1.00 0.00 H new ATOM 0 HB3 ARG A 770 3.607 -6.297 -9.858 1.00 0.00 H new ATOM 0 HG2 ARG A 770 4.790 -8.559 -9.877 1.00 0.00 H new ATOM 0 HG3 ARG A 770 3.925 -8.941 -8.402 1.00 0.00 H new ATOM 0 HD2 ARG A 770 1.765 -8.361 -9.670 1.00 0.00 H new ATOM 0 HD3 ARG A 770 2.735 -8.318 -11.129 1.00 0.00 H new ATOM 0 HE ARG A 770 2.195 -10.731 -9.451 1.00 0.00 H new ATOM 0 HH11 ARG A 770 3.472 -9.273 -12.417 1.00 0.00 H new ATOM 0 HH12 ARG A 770 3.601 -10.825 -13.251 1.00 0.00 H new ATOM 0 HH21 ARG A 770 2.364 -12.702 -10.540 1.00 0.00 H new ATOM 0 HH22 ARG A 770 2.979 -12.751 -12.196 1.00 0.00 H new ATOM 466 N LYS A 771 4.861 -3.938 -8.527 1.00 0.00 N ATOM 467 CA LYS A 771 5.116 -2.600 -9.058 1.00 0.00 C ATOM 468 C LYS A 771 6.392 -1.986 -8.479 1.00 0.00 C ATOM 469 O LYS A 771 7.108 -1.263 -9.171 1.00 0.00 O ATOM 470 CB LYS A 771 3.917 -1.690 -8.784 1.00 0.00 C ATOM 471 CG LYS A 771 3.517 -0.845 -9.983 1.00 0.00 C ATOM 472 CD LYS A 771 3.960 0.598 -9.820 1.00 0.00 C ATOM 473 CE LYS A 771 2.927 1.568 -10.373 1.00 0.00 C ATOM 474 NZ LYS A 771 3.006 2.903 -9.718 1.00 0.00 N ATOM 0 H LYS A 771 4.153 -3.972 -7.793 1.00 0.00 H new ATOM 0 HA LYS A 771 5.261 -2.695 -10.134 1.00 0.00 H new ATOM 0 HB2 LYS A 771 3.068 -2.302 -8.480 1.00 0.00 H new ATOM 0 HB3 LYS A 771 4.152 -1.032 -7.947 1.00 0.00 H new ATOM 0 HG2 LYS A 771 3.960 -1.262 -10.887 1.00 0.00 H new ATOM 0 HG3 LYS A 771 2.435 -0.882 -10.111 1.00 0.00 H new ATOM 0 HD2 LYS A 771 4.130 0.810 -8.764 1.00 0.00 H new ATOM 0 HD3 LYS A 771 4.911 0.747 -10.332 1.00 0.00 H new ATOM 0 HE2 LYS A 771 3.076 1.682 -11.447 1.00 0.00 H new ATOM 0 HE3 LYS A 771 1.929 1.154 -10.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 2.285 3.532 -10.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 2.839 2.799 -8.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 3.950 3.311 -9.874 1.00 0.00 H new ATOM 488 N LEU A 772 6.674 -2.279 -7.215 1.00 0.00 N ATOM 489 CA LEU A 772 7.870 -1.752 -6.556 1.00 0.00 C ATOM 490 C LEU A 772 9.052 -2.707 -6.676 1.00 0.00 C ATOM 491 O LEU A 772 10.178 -2.351 -6.331 1.00 0.00 O ATOM 492 CB LEU A 772 7.598 -1.473 -5.074 1.00 0.00 C ATOM 493 CG LEU A 772 7.462 0.006 -4.702 1.00 0.00 C ATOM 494 CD1 LEU A 772 6.001 0.408 -4.591 1.00 0.00 C ATOM 495 CD2 LEU A 772 8.188 0.288 -3.394 1.00 0.00 C ATOM 0 H LEU A 772 6.095 -2.876 -6.625 1.00 0.00 H new ATOM 0 HA LEU A 772 8.124 -0.821 -7.063 1.00 0.00 H new ATOM 0 HB2 LEU A 772 6.682 -1.989 -4.786 1.00 0.00 H new ATOM 0 HB3 LEU A 772 8.407 -1.906 -4.485 1.00 0.00 H new ATOM 0 HG LEU A 772 7.917 0.600 -5.495 1.00 0.00 H new ATOM 0 HD11 LEU A 772 5.933 1.463 -4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 772 5.504 0.241 -5.547 1.00 0.00 H new ATOM 0 HD13 LEU A 772 5.516 -0.192 -3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 772 8.084 1.343 -3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 772 7.756 -0.321 -2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 772 9.245 0.044 -3.504 1.00 0.00 H new ATOM 507 N LYS A 773 8.796 -3.924 -7.143 1.00 0.00 N ATOM 508 CA LYS A 773 9.854 -4.916 -7.273 1.00 0.00 C ATOM 509 C LYS A 773 10.445 -5.220 -5.902 1.00 0.00 C ATOM 510 O LYS A 773 11.660 -5.359 -5.749 1.00 0.00 O ATOM 511 CB LYS A 773 10.949 -4.420 -8.222 1.00 0.00 C ATOM 512 CG LYS A 773 10.552 -4.462 -9.689 1.00 0.00 C ATOM 513 CD LYS A 773 11.350 -3.460 -10.509 1.00 0.00 C ATOM 514 CE LYS A 773 12.697 -4.029 -10.929 1.00 0.00 C ATOM 515 NZ LYS A 773 12.714 -4.415 -12.367 1.00 0.00 N ATOM 0 H LYS A 773 7.873 -4.245 -7.435 1.00 0.00 H new ATOM 0 HA LYS A 773 9.428 -5.828 -7.691 1.00 0.00 H new ATOM 0 HB2 LYS A 773 11.212 -3.396 -7.955 1.00 0.00 H new ATOM 0 HB3 LYS A 773 11.843 -5.027 -8.079 1.00 0.00 H new ATOM 0 HG2 LYS A 773 10.712 -5.466 -10.082 1.00 0.00 H new ATOM 0 HG3 LYS A 773 9.488 -4.248 -9.786 1.00 0.00 H new ATOM 0 HD2 LYS A 773 10.781 -3.178 -11.395 1.00 0.00 H new ATOM 0 HD3 LYS A 773 11.503 -2.552 -9.926 1.00 0.00 H new ATOM 0 HE2 LYS A 773 13.477 -3.291 -10.742 1.00 0.00 H new ATOM 0 HE3 LYS A 773 12.930 -4.900 -10.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 773 13.649 -4.798 -12.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 773 11.987 -5.138 -12.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 773 12.517 -3.579 -12.953 1.00 0.00 H new ATOM 529 N ILE A 774 9.570 -5.316 -4.905 1.00 0.00 N ATOM 530 CA ILE A 774 9.990 -5.600 -3.536 1.00 0.00 C ATOM 531 C ILE A 774 9.519 -6.985 -3.105 1.00 0.00 C ATOM 532 O ILE A 774 8.976 -7.742 -3.909 1.00 0.00 O ATOM 533 CB ILE A 774 9.452 -4.550 -2.536 1.00 0.00 C ATOM 534 CG1 ILE A 774 7.937 -4.411 -2.663 1.00 0.00 C ATOM 535 CG2 ILE A 774 10.125 -3.211 -2.761 1.00 0.00 C ATOM 536 CD1 ILE A 774 7.324 -3.419 -1.693 1.00 0.00 C ATOM 0 H ILE A 774 8.563 -5.201 -5.020 1.00 0.00 H new ATOM 0 HA ILE A 774 11.079 -5.560 -3.526 1.00 0.00 H new ATOM 0 HB ILE A 774 9.682 -4.890 -1.526 1.00 0.00 H new ATOM 0 HG12 ILE A 774 7.695 -4.105 -3.681 1.00 0.00 H new ATOM 0 HG13 ILE A 774 7.479 -5.387 -2.506 1.00 0.00 H new ATOM 0 HG21 ILE A 774 9.735 -2.484 -2.049 1.00 0.00 H new ATOM 0 HG22 ILE A 774 11.201 -3.316 -2.620 1.00 0.00 H new ATOM 0 HG23 ILE A 774 9.924 -2.869 -3.776 1.00 0.00 H new ATOM 0 HD11 ILE A 774 6.246 -3.378 -1.847 1.00 0.00 H new ATOM 0 HD12 ILE A 774 7.533 -3.733 -0.670 1.00 0.00 H new ATOM 0 HD13 ILE A 774 7.752 -2.431 -1.863 1.00 0.00 H new ATOM 548 N GLY A 775 9.728 -7.311 -1.836 1.00 0.00 N ATOM 549 CA GLY A 775 9.316 -8.605 -1.328 1.00 0.00 C ATOM 550 C GLY A 775 7.891 -8.591 -0.816 1.00 0.00 C ATOM 551 O GLY A 775 7.397 -7.556 -0.373 1.00 0.00 O ATOM 0 H GLY A 775 10.175 -6.703 -1.150 1.00 0.00 H new ATOM 0 HA2 GLY A 775 9.409 -9.350 -2.118 1.00 0.00 H new ATOM 0 HA3 GLY A 775 9.986 -8.908 -0.524 1.00 0.00 H new ATOM 555 N TYR A 776 7.226 -9.740 -0.876 1.00 0.00 N ATOM 556 CA TYR A 776 5.848 -9.844 -0.412 1.00 0.00 C ATOM 557 C TYR A 776 5.735 -9.410 1.047 1.00 0.00 C ATOM 558 O TYR A 776 4.838 -8.649 1.412 1.00 0.00 O ATOM 559 CB TYR A 776 5.335 -11.275 -0.572 1.00 0.00 C ATOM 560 CG TYR A 776 3.917 -11.465 -0.085 1.00 0.00 C ATOM 561 CD1 TYR A 776 3.642 -11.599 1.269 1.00 0.00 C ATOM 562 CD2 TYR A 776 2.855 -11.504 -0.978 1.00 0.00 C ATOM 563 CE1 TYR A 776 2.348 -11.770 1.720 1.00 0.00 C ATOM 564 CE2 TYR A 776 1.557 -11.674 -0.536 1.00 0.00 C ATOM 565 CZ TYR A 776 1.309 -11.807 0.814 1.00 0.00 C ATOM 566 OH TYR A 776 0.017 -11.978 1.259 1.00 0.00 O ATOM 0 H TYR A 776 7.617 -10.609 -1.240 1.00 0.00 H new ATOM 0 HA TYR A 776 5.235 -9.180 -1.022 1.00 0.00 H new ATOM 0 HB2 TYR A 776 5.390 -11.557 -1.623 1.00 0.00 H new ATOM 0 HB3 TYR A 776 5.992 -11.951 -0.025 1.00 0.00 H new ATOM 0 HD1 TYR A 776 4.453 -11.569 1.981 1.00 0.00 H new ATOM 0 HD2 TYR A 776 3.046 -11.400 -2.036 1.00 0.00 H new ATOM 0 HE1 TYR A 776 2.151 -11.874 2.777 1.00 0.00 H new ATOM 0 HE2 TYR A 776 0.742 -11.703 -1.244 1.00 0.00 H new ATOM 0 HH TYR A 776 -0.595 -11.980 0.494 1.00 0.00 H new ATOM 576 N ASN A 777 6.654 -9.895 1.874 1.00 0.00 N ATOM 577 CA ASN A 777 6.663 -9.554 3.291 1.00 0.00 C ATOM 578 C ASN A 777 6.897 -8.060 3.484 1.00 0.00 C ATOM 579 O ASN A 777 6.199 -7.409 4.261 1.00 0.00 O ATOM 580 CB ASN A 777 7.746 -10.351 4.023 1.00 0.00 C ATOM 581 CG ASN A 777 7.285 -11.751 4.384 1.00 0.00 C ATOM 582 OD1 ASN A 777 6.291 -11.926 5.087 1.00 0.00 O ATOM 583 ND2 ASN A 777 8.009 -12.756 3.905 1.00 0.00 N ATOM 0 H ASN A 777 7.403 -10.526 1.587 1.00 0.00 H new ATOM 0 HA ASN A 777 5.690 -9.811 3.709 1.00 0.00 H new ATOM 0 HB2 ASN A 777 8.635 -10.414 3.395 1.00 0.00 H new ATOM 0 HB3 ASN A 777 8.034 -9.820 4.930 1.00 0.00 H new ATOM 0 HD21 ASN A 777 7.748 -13.719 4.117 1.00 0.00 H new ATOM 0 HD22 ASN A 777 8.826 -12.565 3.326 1.00 0.00 H new ATOM 590 N ARG A 778 7.884 -7.523 2.773 1.00 0.00 N ATOM 591 CA ARG A 778 8.209 -6.108 2.868 1.00 0.00 C ATOM 592 C ARG A 778 7.025 -5.251 2.435 1.00 0.00 C ATOM 593 O ARG A 778 6.616 -4.333 3.147 1.00 0.00 O ATOM 594 CB ARG A 778 9.445 -5.808 2.018 1.00 0.00 C ATOM 595 CG ARG A 778 9.696 -4.328 1.785 1.00 0.00 C ATOM 596 CD ARG A 778 10.898 -4.110 0.884 1.00 0.00 C ATOM 597 NE ARG A 778 11.787 -3.066 1.394 1.00 0.00 N ATOM 598 CZ ARG A 778 13.022 -3.285 1.843 1.00 0.00 C ATOM 599 NH1 ARG A 778 13.532 -4.510 1.861 1.00 0.00 N ATOM 600 NH2 ARG A 778 13.753 -2.267 2.276 1.00 0.00 N ATOM 0 H ARG A 778 8.471 -8.048 2.125 1.00 0.00 H new ATOM 0 HA ARG A 778 8.430 -5.862 3.907 1.00 0.00 H new ATOM 0 HB2 ARG A 778 10.320 -6.241 2.503 1.00 0.00 H new ATOM 0 HB3 ARG A 778 9.337 -6.303 1.053 1.00 0.00 H new ATOM 0 HG2 ARG A 778 8.814 -3.873 1.335 1.00 0.00 H new ATOM 0 HG3 ARG A 778 9.859 -3.829 2.740 1.00 0.00 H new ATOM 0 HD2 ARG A 778 11.453 -5.043 0.789 1.00 0.00 H new ATOM 0 HD3 ARG A 778 10.557 -3.839 -0.115 1.00 0.00 H new ATOM 0 HE ARG A 778 11.438 -2.108 1.407 1.00 0.00 H new ATOM 0 HH11 ARG A 778 12.977 -5.298 1.528 1.00 0.00 H new ATOM 0 HH12 ARG A 778 14.479 -4.663 2.207 1.00 0.00 H new ATOM 0 HH21 ARG A 778 13.369 -1.322 2.264 1.00 0.00 H new ATOM 0 HH22 ARG A 778 14.699 -2.429 2.621 1.00 0.00 H new ATOM 614 N ALA A 779 6.467 -5.565 1.273 1.00 0.00 N ATOM 615 CA ALA A 779 5.319 -4.834 0.755 1.00 0.00 C ATOM 616 C ALA A 779 4.167 -4.883 1.756 1.00 0.00 C ATOM 617 O ALA A 779 3.584 -3.857 2.100 1.00 0.00 O ATOM 618 CB ALA A 779 4.895 -5.414 -0.586 1.00 0.00 C ATOM 0 H ALA A 779 6.792 -6.322 0.671 1.00 0.00 H new ATOM 0 HA ALA A 779 5.598 -3.791 0.607 1.00 0.00 H new ATOM 0 HB1 ALA A 779 4.036 -4.861 -0.966 1.00 0.00 H new ATOM 0 HB2 ALA A 779 5.720 -5.334 -1.294 1.00 0.00 H new ATOM 0 HB3 ALA A 779 4.625 -6.463 -0.460 1.00 0.00 H new ATOM 624 N ALA A 780 3.858 -6.088 2.228 1.00 0.00 N ATOM 625 CA ALA A 780 2.792 -6.292 3.201 1.00 0.00 C ATOM 626 C ALA A 780 3.018 -5.439 4.445 1.00 0.00 C ATOM 627 O ALA A 780 2.084 -4.834 4.970 1.00 0.00 O ATOM 628 CB ALA A 780 2.711 -7.764 3.582 1.00 0.00 C ATOM 0 H ALA A 780 4.337 -6.944 1.948 1.00 0.00 H new ATOM 0 HA ALA A 780 1.849 -5.987 2.747 1.00 0.00 H new ATOM 0 HB1 ALA A 780 1.912 -7.908 4.309 1.00 0.00 H new ATOM 0 HB2 ALA A 780 2.504 -8.359 2.693 1.00 0.00 H new ATOM 0 HB3 ALA A 780 3.659 -8.080 4.017 1.00 0.00 H new ATOM 634 N ARG A 781 4.264 -5.386 4.910 1.00 0.00 N ATOM 635 CA ARG A 781 4.603 -4.594 6.086 1.00 0.00 C ATOM 636 C ARG A 781 4.256 -3.132 5.847 1.00 0.00 C ATOM 637 O ARG A 781 3.679 -2.466 6.707 1.00 0.00 O ATOM 638 CB ARG A 781 6.087 -4.735 6.420 1.00 0.00 C ATOM 639 CG ARG A 781 6.422 -6.040 7.119 1.00 0.00 C ATOM 640 CD ARG A 781 7.911 -6.157 7.418 1.00 0.00 C ATOM 641 NE ARG A 781 8.343 -7.550 7.473 1.00 0.00 N ATOM 642 CZ ARG A 781 9.521 -7.947 7.949 1.00 0.00 C ATOM 643 NH1 ARG A 781 10.403 -7.058 8.388 1.00 0.00 N ATOM 644 NH2 ARG A 781 9.819 -9.239 7.980 1.00 0.00 N ATOM 0 H ARG A 781 5.052 -5.881 4.491 1.00 0.00 H new ATOM 0 HA ARG A 781 4.023 -4.963 6.932 1.00 0.00 H new ATOM 0 HB2 ARG A 781 6.668 -4.663 5.501 1.00 0.00 H new ATOM 0 HB3 ARG A 781 6.391 -3.902 7.054 1.00 0.00 H new ATOM 0 HG2 ARG A 781 5.858 -6.109 8.049 1.00 0.00 H new ATOM 0 HG3 ARG A 781 6.110 -6.877 6.494 1.00 0.00 H new ATOM 0 HD2 ARG A 781 8.479 -5.630 6.651 1.00 0.00 H new ATOM 0 HD3 ARG A 781 8.131 -5.670 8.368 1.00 0.00 H new ATOM 0 HE ARG A 781 7.703 -8.264 7.125 1.00 0.00 H new ATOM 0 HH11 ARG A 781 10.180 -6.063 8.362 1.00 0.00 H new ATOM 0 HH12 ARG A 781 11.304 -7.370 8.751 1.00 0.00 H new ATOM 0 HH21 ARG A 781 9.146 -9.926 7.640 1.00 0.00 H new ATOM 0 HH22 ARG A 781 10.721 -9.546 8.344 1.00 0.00 H new ATOM 658 N MET A 782 4.591 -2.651 4.655 1.00 0.00 N ATOM 659 CA MET A 782 4.298 -1.278 4.274 1.00 0.00 C ATOM 660 C MET A 782 2.792 -1.095 4.142 1.00 0.00 C ATOM 661 O MET A 782 2.230 -0.102 4.594 1.00 0.00 O ATOM 662 CB MET A 782 4.989 -0.936 2.956 1.00 0.00 C ATOM 663 CG MET A 782 6.508 -0.915 3.053 1.00 0.00 C ATOM 664 SD MET A 782 7.299 -1.873 1.748 1.00 0.00 S ATOM 665 CE MET A 782 7.140 -0.758 0.356 1.00 0.00 C ATOM 0 H MET A 782 5.067 -3.195 3.935 1.00 0.00 H new ATOM 0 HA MET A 782 4.674 -0.606 5.045 1.00 0.00 H new ATOM 0 HB2 MET A 782 4.691 -1.663 2.200 1.00 0.00 H new ATOM 0 HB3 MET A 782 4.641 0.039 2.615 1.00 0.00 H new ATOM 0 HG2 MET A 782 6.857 0.116 3.004 1.00 0.00 H new ATOM 0 HG3 MET A 782 6.812 -1.309 4.023 1.00 0.00 H new ATOM 0 HE1 MET A 782 8.095 -0.686 -0.164 1.00 0.00 H new ATOM 0 HE2 MET A 782 6.382 -1.137 -0.329 1.00 0.00 H new ATOM 0 HE3 MET A 782 6.846 0.229 0.712 1.00 0.00 H new ATOM 675 N ILE A 783 2.145 -2.084 3.539 1.00 0.00 N ATOM 676 CA ILE A 783 0.703 -2.065 3.360 1.00 0.00 C ATOM 677 C ILE A 783 0.023 -1.959 4.723 1.00 0.00 C ATOM 678 O ILE A 783 -0.977 -1.257 4.886 1.00 0.00 O ATOM 679 CB ILE A 783 0.238 -3.336 2.610 1.00 0.00 C ATOM 680 CG1 ILE A 783 0.636 -3.247 1.131 1.00 0.00 C ATOM 681 CG2 ILE A 783 -1.261 -3.552 2.750 1.00 0.00 C ATOM 682 CD1 ILE A 783 -0.247 -2.318 0.316 1.00 0.00 C ATOM 0 H ILE A 783 2.603 -2.915 3.164 1.00 0.00 H new ATOM 0 HA ILE A 783 0.424 -1.199 2.759 1.00 0.00 H new ATOM 0 HB ILE A 783 0.734 -4.195 3.061 1.00 0.00 H new ATOM 0 HG12 ILE A 783 1.669 -2.906 1.062 1.00 0.00 H new ATOM 0 HG13 ILE A 783 0.600 -4.245 0.694 1.00 0.00 H new ATOM 0 HG21 ILE A 783 -1.551 -4.454 2.210 1.00 0.00 H new ATOM 0 HG22 ILE A 783 -1.516 -3.662 3.804 1.00 0.00 H new ATOM 0 HG23 ILE A 783 -1.792 -2.695 2.336 1.00 0.00 H new ATOM 0 HD11 ILE A 783 0.095 -2.306 -0.719 1.00 0.00 H new ATOM 0 HD12 ILE A 783 -1.278 -2.670 0.354 1.00 0.00 H new ATOM 0 HD13 ILE A 783 -0.192 -1.310 0.728 1.00 0.00 H new ATOM 694 N GLU A 784 0.599 -2.631 5.714 1.00 0.00 N ATOM 695 CA GLU A 784 0.071 -2.575 7.070 1.00 0.00 C ATOM 696 C GLU A 784 0.181 -1.147 7.579 1.00 0.00 C ATOM 697 O GLU A 784 -0.783 -0.563 8.089 1.00 0.00 O ATOM 698 CB GLU A 784 0.849 -3.524 7.980 1.00 0.00 C ATOM 699 CG GLU A 784 0.110 -3.889 9.255 1.00 0.00 C ATOM 700 CD GLU A 784 0.077 -2.751 10.255 1.00 0.00 C ATOM 701 OE1 GLU A 784 1.155 -2.374 10.760 1.00 0.00 O ATOM 702 OE2 GLU A 784 -1.027 -2.234 10.532 1.00 0.00 O ATOM 0 H GLU A 784 1.427 -3.217 5.604 1.00 0.00 H new ATOM 0 HA GLU A 784 -0.974 -2.885 7.071 1.00 0.00 H new ATOM 0 HB2 GLU A 784 1.077 -4.436 7.429 1.00 0.00 H new ATOM 0 HB3 GLU A 784 1.801 -3.063 8.242 1.00 0.00 H new ATOM 0 HG2 GLU A 784 -0.911 -4.181 9.008 1.00 0.00 H new ATOM 0 HG3 GLU A 784 0.587 -4.756 9.712 1.00 0.00 H new ATOM 709 N ALA A 785 1.369 -0.583 7.392 1.00 0.00 N ATOM 710 CA ALA A 785 1.641 0.792 7.777 1.00 0.00 C ATOM 711 C ALA A 785 0.646 1.718 7.103 1.00 0.00 C ATOM 712 O ALA A 785 0.250 2.739 7.661 1.00 0.00 O ATOM 713 CB ALA A 785 3.062 1.183 7.399 1.00 0.00 C ATOM 0 H ALA A 785 2.164 -1.064 6.972 1.00 0.00 H new ATOM 0 HA ALA A 785 1.538 0.881 8.859 1.00 0.00 H new ATOM 0 HB1 ALA A 785 3.246 2.216 7.695 1.00 0.00 H new ATOM 0 HB2 ALA A 785 3.768 0.528 7.909 1.00 0.00 H new ATOM 0 HB3 ALA A 785 3.191 1.086 6.321 1.00 0.00 H new ATOM 719 N MET A 786 0.243 1.345 5.891 1.00 0.00 N ATOM 720 CA MET A 786 -0.716 2.131 5.129 1.00 0.00 C ATOM 721 C MET A 786 -2.074 2.106 5.811 1.00 0.00 C ATOM 722 O MET A 786 -2.764 3.116 5.883 1.00 0.00 O ATOM 723 CB MET A 786 -0.841 1.589 3.705 1.00 0.00 C ATOM 724 CG MET A 786 0.161 2.194 2.750 1.00 0.00 C ATOM 725 SD MET A 786 -0.140 1.734 1.034 1.00 0.00 S ATOM 726 CE MET A 786 1.265 0.672 0.723 1.00 0.00 C ATOM 0 H MET A 786 0.568 0.502 5.417 1.00 0.00 H new ATOM 0 HA MET A 786 -0.359 3.160 5.083 1.00 0.00 H new ATOM 0 HB2 MET A 786 -0.710 0.507 3.722 1.00 0.00 H new ATOM 0 HB3 MET A 786 -1.848 1.783 3.336 1.00 0.00 H new ATOM 0 HG2 MET A 786 0.132 3.280 2.840 1.00 0.00 H new ATOM 0 HG3 MET A 786 1.164 1.877 3.035 1.00 0.00 H new ATOM 0 HE1 MET A 786 1.078 0.073 -0.169 1.00 0.00 H new ATOM 0 HE2 MET A 786 2.155 1.282 0.571 1.00 0.00 H new ATOM 0 HE3 MET A 786 1.419 0.012 1.577 1.00 0.00 H new ATOM 736 N GLU A 787 -2.449 0.941 6.314 1.00 0.00 N ATOM 737 CA GLU A 787 -3.726 0.787 6.998 1.00 0.00 C ATOM 738 C GLU A 787 -3.801 1.708 8.205 1.00 0.00 C ATOM 739 O GLU A 787 -4.778 2.434 8.391 1.00 0.00 O ATOM 740 CB GLU A 787 -3.918 -0.663 7.431 1.00 0.00 C ATOM 741 CG GLU A 787 -4.793 -1.457 6.482 1.00 0.00 C ATOM 742 CD GLU A 787 -5.938 -2.161 7.183 1.00 0.00 C ATOM 743 OE1 GLU A 787 -6.892 -1.471 7.604 1.00 0.00 O ATOM 744 OE2 GLU A 787 -5.883 -3.402 7.310 1.00 0.00 O ATOM 0 H GLU A 787 -1.890 0.089 6.263 1.00 0.00 H new ATOM 0 HA GLU A 787 -4.523 1.059 6.306 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -2.943 -1.145 7.506 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -4.361 -0.683 8.427 1.00 0.00 H new ATOM 0 HG2 GLU A 787 -5.196 -0.788 5.722 1.00 0.00 H new ATOM 0 HG3 GLU A 787 -4.181 -2.196 5.964 1.00 0.00 H new ATOM 751 N MET A 788 -2.761 1.668 9.020 1.00 0.00 N ATOM 752 CA MET A 788 -2.695 2.493 10.222 1.00 0.00 C ATOM 753 C MET A 788 -2.450 3.964 9.881 1.00 0.00 C ATOM 754 O MET A 788 -2.991 4.861 10.527 1.00 0.00 O ATOM 755 CB MET A 788 -1.584 1.985 11.138 1.00 0.00 C ATOM 756 CG MET A 788 -1.964 0.743 11.926 1.00 0.00 C ATOM 757 SD MET A 788 -0.986 0.551 13.428 1.00 0.00 S ATOM 758 CE MET A 788 0.674 0.734 12.778 1.00 0.00 C ATOM 0 H MET A 788 -1.946 1.072 8.874 1.00 0.00 H new ATOM 0 HA MET A 788 -3.656 2.420 10.731 1.00 0.00 H new ATOM 0 HB2 MET A 788 -0.701 1.768 10.537 1.00 0.00 H new ATOM 0 HB3 MET A 788 -1.309 2.777 11.835 1.00 0.00 H new ATOM 0 HG2 MET A 788 -3.021 0.793 12.188 1.00 0.00 H new ATOM 0 HG3 MET A 788 -1.833 -0.137 11.296 1.00 0.00 H new ATOM 0 HE1 MET A 788 1.394 0.365 13.509 1.00 0.00 H new ATOM 0 HE2 MET A 788 0.768 0.162 11.855 1.00 0.00 H new ATOM 0 HE3 MET A 788 0.871 1.787 12.574 1.00 0.00 H new ATOM 768 N ALA A 789 -1.621 4.196 8.870 1.00 0.00 N ATOM 769 CA ALA A 789 -1.277 5.552 8.437 1.00 0.00 C ATOM 770 C ALA A 789 -2.464 6.273 7.810 1.00 0.00 C ATOM 771 O ALA A 789 -2.480 7.501 7.728 1.00 0.00 O ATOM 772 CB ALA A 789 -0.129 5.507 7.439 1.00 0.00 C ATOM 0 H ALA A 789 -1.170 3.459 8.329 1.00 0.00 H new ATOM 0 HA ALA A 789 -0.978 6.108 9.326 1.00 0.00 H new ATOM 0 HB1 ALA A 789 0.119 6.520 7.123 1.00 0.00 H new ATOM 0 HB2 ALA A 789 0.742 5.049 7.907 1.00 0.00 H new ATOM 0 HB3 ALA A 789 -0.425 4.919 6.570 1.00 0.00 H new ATOM 778 N GLY A 790 -3.440 5.508 7.344 1.00 0.00 N ATOM 779 CA GLY A 790 -4.599 6.098 6.702 1.00 0.00 C ATOM 780 C GLY A 790 -4.437 6.140 5.195 1.00 0.00 C ATOM 781 O GLY A 790 -5.147 6.866 4.500 1.00 0.00 O ATOM 0 H GLY A 790 -3.451 4.490 7.398 1.00 0.00 H new ATOM 0 HA2 GLY A 790 -5.490 5.524 6.958 1.00 0.00 H new ATOM 0 HA3 GLY A 790 -4.751 7.109 7.081 1.00 0.00 H new ATOM 785 N VAL A 791 -3.490 5.352 4.695 1.00 0.00 N ATOM 786 CA VAL A 791 -3.210 5.278 3.273 1.00 0.00 C ATOM 787 C VAL A 791 -4.109 4.263 2.585 1.00 0.00 C ATOM 788 O VAL A 791 -4.525 4.464 1.445 1.00 0.00 O ATOM 789 CB VAL A 791 -1.741 4.905 3.024 1.00 0.00 C ATOM 790 CG1 VAL A 791 -1.437 4.877 1.535 1.00 0.00 C ATOM 791 CG2 VAL A 791 -0.822 5.876 3.745 1.00 0.00 C ATOM 0 H VAL A 791 -2.898 4.749 5.267 1.00 0.00 H new ATOM 0 HA VAL A 791 -3.408 6.265 2.854 1.00 0.00 H new ATOM 0 HB VAL A 791 -1.566 3.905 3.421 1.00 0.00 H new ATOM 0 HG11 VAL A 791 -0.391 4.611 1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 791 -2.074 4.139 1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 791 -1.627 5.861 1.106 1.00 0.00 H new ATOM 0 HG21 VAL A 791 0.216 5.600 3.560 1.00 0.00 H new ATOM 0 HG22 VAL A 791 -1.000 6.887 3.377 1.00 0.00 H new ATOM 0 HG23 VAL A 791 -1.022 5.839 4.816 1.00 0.00 H new ATOM 801 N VAL A 792 -4.416 3.176 3.281 1.00 0.00 N ATOM 802 CA VAL A 792 -5.277 2.147 2.718 1.00 0.00 C ATOM 803 C VAL A 792 -6.304 1.660 3.727 1.00 0.00 C ATOM 804 O VAL A 792 -6.069 1.681 4.934 1.00 0.00 O ATOM 805 CB VAL A 792 -4.465 0.947 2.194 1.00 0.00 C ATOM 806 CG1 VAL A 792 -3.454 1.401 1.162 1.00 0.00 C ATOM 807 CG2 VAL A 792 -3.772 0.205 3.325 1.00 0.00 C ATOM 0 H VAL A 792 -4.085 2.986 4.227 1.00 0.00 H new ATOM 0 HA VAL A 792 -5.799 2.609 1.880 1.00 0.00 H new ATOM 0 HB VAL A 792 -5.163 0.256 1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 792 -2.889 0.541 0.803 1.00 0.00 H new ATOM 0 HG12 VAL A 792 -3.973 1.869 0.326 1.00 0.00 H new ATOM 0 HG13 VAL A 792 -2.771 2.120 1.614 1.00 0.00 H new ATOM 0 HG21 VAL A 792 -3.209 -0.635 2.918 1.00 0.00 H new ATOM 0 HG22 VAL A 792 -3.091 0.882 3.841 1.00 0.00 H new ATOM 0 HG23 VAL A 792 -4.518 -0.165 4.028 1.00 0.00 H new ATOM 817 N THR A 793 -7.446 1.212 3.218 1.00 0.00 N ATOM 818 CA THR A 793 -8.510 0.705 4.069 1.00 0.00 C ATOM 819 C THR A 793 -8.389 -0.815 4.177 1.00 0.00 C ATOM 820 O THR A 793 -7.668 -1.433 3.393 1.00 0.00 O ATOM 821 CB THR A 793 -9.889 1.092 3.514 1.00 0.00 C ATOM 822 OG1 THR A 793 -10.352 0.123 2.592 1.00 0.00 O ATOM 823 CG2 THR A 793 -9.916 2.437 2.813 1.00 0.00 C ATOM 0 H THR A 793 -7.656 1.191 2.220 1.00 0.00 H new ATOM 0 HA THR A 793 -8.412 1.150 5.059 1.00 0.00 H new ATOM 0 HB THR A 793 -10.534 1.150 4.391 1.00 0.00 H new ATOM 0 HG1 THR A 793 -11.330 0.158 2.544 1.00 0.00 H new ATOM 0 HG21 THR A 793 -10.924 2.638 2.450 1.00 0.00 H new ATOM 0 HG22 THR A 793 -9.620 3.218 3.513 1.00 0.00 H new ATOM 0 HG23 THR A 793 -9.223 2.423 1.972 1.00 0.00 H new ATOM 831 N PRO A 794 -9.083 -1.449 5.136 1.00 0.00 N ATOM 832 CA PRO A 794 -9.022 -2.906 5.302 1.00 0.00 C ATOM 833 C PRO A 794 -9.548 -3.642 4.074 1.00 0.00 C ATOM 834 O PRO A 794 -10.188 -3.044 3.208 1.00 0.00 O ATOM 835 CB PRO A 794 -9.918 -3.173 6.518 1.00 0.00 C ATOM 836 CG PRO A 794 -10.800 -1.977 6.611 1.00 0.00 C ATOM 837 CD PRO A 794 -9.976 -0.820 6.123 1.00 0.00 C ATOM 0 HA PRO A 794 -8.000 -3.260 5.434 1.00 0.00 H new ATOM 0 HB2 PRO A 794 -10.501 -4.085 6.387 1.00 0.00 H new ATOM 0 HB3 PRO A 794 -9.327 -3.300 7.425 1.00 0.00 H new ATOM 0 HG2 PRO A 794 -11.695 -2.103 6.002 1.00 0.00 H new ATOM 0 HG3 PRO A 794 -11.132 -1.815 7.636 1.00 0.00 H new ATOM 0 HD2 PRO A 794 -10.595 -0.044 5.672 1.00 0.00 H new ATOM 0 HD3 PRO A 794 -9.417 -0.351 6.933 1.00 0.00 H new ATOM 845 N MET A 795 -9.275 -4.940 4.001 1.00 0.00 N ATOM 846 CA MET A 795 -9.716 -5.752 2.878 1.00 0.00 C ATOM 847 C MET A 795 -11.223 -5.984 2.930 1.00 0.00 C ATOM 848 O MET A 795 -11.840 -5.871 3.988 1.00 0.00 O ATOM 849 CB MET A 795 -8.986 -7.094 2.878 1.00 0.00 C ATOM 850 CG MET A 795 -7.486 -6.983 3.106 1.00 0.00 C ATOM 851 SD MET A 795 -6.817 -8.387 4.018 1.00 0.00 S ATOM 852 CE MET A 795 -5.219 -8.572 3.229 1.00 0.00 C ATOM 0 H MET A 795 -8.749 -5.452 4.709 1.00 0.00 H new ATOM 0 HA MET A 795 -9.481 -5.214 1.960 1.00 0.00 H new ATOM 0 HB2 MET A 795 -9.415 -7.729 3.653 1.00 0.00 H new ATOM 0 HB3 MET A 795 -9.162 -7.592 1.924 1.00 0.00 H new ATOM 0 HG2 MET A 795 -6.981 -6.906 2.143 1.00 0.00 H new ATOM 0 HG3 MET A 795 -7.272 -6.064 3.653 1.00 0.00 H new ATOM 0 HE1 MET A 795 -4.820 -9.564 3.443 1.00 0.00 H new ATOM 0 HE2 MET A 795 -5.329 -8.449 2.152 1.00 0.00 H new ATOM 0 HE3 MET A 795 -4.534 -7.816 3.612 1.00 0.00 H new ATOM 862 N ASN A 796 -11.806 -6.310 1.782 1.00 0.00 N ATOM 863 CA ASN A 796 -13.241 -6.562 1.701 1.00 0.00 C ATOM 864 C ASN A 796 -13.526 -8.055 1.564 1.00 0.00 C ATOM 865 O ASN A 796 -12.605 -8.867 1.473 1.00 0.00 O ATOM 866 CB ASN A 796 -13.858 -5.800 0.527 1.00 0.00 C ATOM 867 CG ASN A 796 -13.234 -6.166 -0.799 1.00 0.00 C ATOM 868 OD1 ASN A 796 -12.700 -7.261 -0.971 1.00 0.00 O ATOM 869 ND2 ASN A 796 -13.302 -5.243 -1.747 1.00 0.00 N ATOM 0 H ASN A 796 -11.309 -6.406 0.896 1.00 0.00 H new ATOM 0 HA ASN A 796 -13.695 -6.207 2.626 1.00 0.00 H new ATOM 0 HB2 ASN A 796 -14.928 -6.004 0.489 1.00 0.00 H new ATOM 0 HB3 ASN A 796 -13.744 -4.729 0.694 1.00 0.00 H new ATOM 0 HD21 ASN A 796 -12.901 -5.426 -2.667 1.00 0.00 H new ATOM 0 HD22 ASN A 796 -13.755 -4.349 -1.557 1.00 0.00 H new ATOM 876 N THR A 797 -14.807 -8.406 1.554 1.00 0.00 N ATOM 877 CA THR A 797 -15.220 -9.800 1.431 1.00 0.00 C ATOM 878 C THR A 797 -14.672 -10.427 0.153 1.00 0.00 C ATOM 879 O THR A 797 -14.414 -11.630 0.102 1.00 0.00 O ATOM 880 CB THR A 797 -16.747 -9.902 1.449 1.00 0.00 C ATOM 881 OG1 THR A 797 -17.304 -9.277 0.305 1.00 0.00 O ATOM 882 CG2 THR A 797 -17.374 -9.266 2.671 1.00 0.00 C ATOM 0 H THR A 797 -15.579 -7.744 1.630 1.00 0.00 H new ATOM 0 HA THR A 797 -14.813 -10.347 2.281 1.00 0.00 H new ATOM 0 HB THR A 797 -16.966 -10.970 1.462 1.00 0.00 H new ATOM 0 HG1 THR A 797 -18.281 -9.354 0.333 1.00 0.00 H new ATOM 0 HG21 THR A 797 -18.458 -9.373 2.621 1.00 0.00 H new ATOM 0 HG22 THR A 797 -17.001 -9.758 3.569 1.00 0.00 H new ATOM 0 HG23 THR A 797 -17.115 -8.208 2.704 1.00 0.00 H new ATOM 890 N ASN A 798 -14.496 -9.606 -0.877 1.00 0.00 N ATOM 891 CA ASN A 798 -13.978 -10.083 -2.156 1.00 0.00 C ATOM 892 C ASN A 798 -12.474 -10.341 -2.084 1.00 0.00 C ATOM 893 O ASN A 798 -11.915 -11.035 -2.932 1.00 0.00 O ATOM 894 CB ASN A 798 -14.278 -9.069 -3.260 1.00 0.00 C ATOM 895 CG ASN A 798 -15.596 -9.332 -3.949 1.00 0.00 C ATOM 896 OD1 ASN A 798 -16.080 -10.463 -3.986 1.00 0.00 O ATOM 897 ND2 ASN A 798 -16.183 -8.281 -4.502 1.00 0.00 N ATOM 0 H ASN A 798 -14.704 -8.608 -0.852 1.00 0.00 H new ATOM 0 HA ASN A 798 -14.475 -11.025 -2.387 1.00 0.00 H new ATOM 0 HB2 ASN A 798 -14.289 -8.066 -2.833 1.00 0.00 H new ATOM 0 HB3 ASN A 798 -13.476 -9.093 -3.998 1.00 0.00 H new ATOM 0 HD21 ASN A 798 -17.075 -8.390 -4.984 1.00 0.00 H new ATOM 0 HD22 ASN A 798 -15.743 -7.363 -4.445 1.00 0.00 H new ATOM 904 N GLY A 799 -11.824 -9.778 -1.069 1.00 0.00 N ATOM 905 CA GLY A 799 -10.393 -9.963 -0.914 1.00 0.00 C ATOM 906 C GLY A 799 -9.589 -8.843 -1.547 1.00 0.00 C ATOM 907 O GLY A 799 -8.419 -9.025 -1.885 1.00 0.00 O ATOM 0 H GLY A 799 -12.262 -9.198 -0.353 1.00 0.00 H new ATOM 0 HA2 GLY A 799 -10.151 -10.024 0.147 1.00 0.00 H new ATOM 0 HA3 GLY A 799 -10.102 -10.913 -1.363 1.00 0.00 H new ATOM 911 N SER A 800 -10.217 -7.682 -1.705 1.00 0.00 N ATOM 912 CA SER A 800 -9.553 -6.527 -2.296 1.00 0.00 C ATOM 913 C SER A 800 -9.598 -5.336 -1.345 1.00 0.00 C ATOM 914 O SER A 800 -10.646 -5.016 -0.784 1.00 0.00 O ATOM 915 CB SER A 800 -10.210 -6.158 -3.627 1.00 0.00 C ATOM 916 OG SER A 800 -10.120 -7.224 -4.556 1.00 0.00 O ATOM 0 H SER A 800 -11.186 -7.517 -1.431 1.00 0.00 H new ATOM 0 HA SER A 800 -8.511 -6.789 -2.477 1.00 0.00 H new ATOM 0 HB2 SER A 800 -11.257 -5.905 -3.461 1.00 0.00 H new ATOM 0 HB3 SER A 800 -9.729 -5.271 -4.039 1.00 0.00 H new ATOM 0 HG SER A 800 -10.549 -6.962 -5.397 1.00 0.00 H new ATOM 922 N ARG A 801 -8.453 -4.687 -1.161 1.00 0.00 N ATOM 923 CA ARG A 801 -8.357 -3.534 -0.272 1.00 0.00 C ATOM 924 C ARG A 801 -8.748 -2.245 -0.978 1.00 0.00 C ATOM 925 O ARG A 801 -8.914 -2.211 -2.198 1.00 0.00 O ATOM 926 CB ARG A 801 -6.936 -3.389 0.263 1.00 0.00 C ATOM 927 CG ARG A 801 -6.678 -4.153 1.544 1.00 0.00 C ATOM 928 CD ARG A 801 -5.220 -4.564 1.640 1.00 0.00 C ATOM 929 NE ARG A 801 -4.813 -4.847 3.010 1.00 0.00 N ATOM 930 CZ ARG A 801 -4.143 -3.995 3.778 1.00 0.00 C ATOM 931 NH1 ARG A 801 -3.880 -2.759 3.353 1.00 0.00 N ATOM 932 NH2 ARG A 801 -3.755 -4.370 4.987 1.00 0.00 N ATOM 0 H ARG A 801 -7.576 -4.940 -1.617 1.00 0.00 H new ATOM 0 HA ARG A 801 -9.050 -3.708 0.551 1.00 0.00 H new ATOM 0 HB2 ARG A 801 -6.236 -3.731 -0.499 1.00 0.00 H new ATOM 0 HB3 ARG A 801 -6.730 -2.333 0.435 1.00 0.00 H new ATOM 0 HG2 ARG A 801 -6.944 -3.535 2.402 1.00 0.00 H new ATOM 0 HG3 ARG A 801 -7.313 -5.038 1.580 1.00 0.00 H new ATOM 0 HD2 ARG A 801 -5.053 -5.448 1.024 1.00 0.00 H new ATOM 0 HD3 ARG A 801 -4.594 -3.770 1.234 1.00 0.00 H new ATOM 0 HE ARG A 801 -5.058 -5.756 3.404 1.00 0.00 H new ATOM 0 HH11 ARG A 801 -4.194 -2.459 2.430 1.00 0.00 H new ATOM 0 HH12 ARG A 801 -3.365 -2.113 3.951 1.00 0.00 H new ATOM 0 HH21 ARG A 801 -3.971 -5.308 5.324 1.00 0.00 H new ATOM 0 HH22 ARG A 801 -3.240 -3.721 5.582 1.00 0.00 H new ATOM 946 N GLU A 802 -8.871 -1.184 -0.193 1.00 0.00 N ATOM 947 CA GLU A 802 -9.218 0.130 -0.719 1.00 0.00 C ATOM 948 C GLU A 802 -8.201 1.166 -0.241 1.00 0.00 C ATOM 949 O GLU A 802 -7.347 0.863 0.591 1.00 0.00 O ATOM 950 CB GLU A 802 -10.635 0.521 -0.290 1.00 0.00 C ATOM 951 CG GLU A 802 -11.661 0.391 -1.404 1.00 0.00 C ATOM 952 CD GLU A 802 -12.973 1.074 -1.071 1.00 0.00 C ATOM 953 OE1 GLU A 802 -13.659 0.615 -0.133 1.00 0.00 O ATOM 954 OE2 GLU A 802 -13.315 2.066 -1.749 1.00 0.00 O ATOM 0 H GLU A 802 -8.735 -1.208 0.818 1.00 0.00 H new ATOM 0 HA GLU A 802 -9.193 0.094 -1.808 1.00 0.00 H new ATOM 0 HB2 GLU A 802 -10.939 -0.106 0.548 1.00 0.00 H new ATOM 0 HB3 GLU A 802 -10.627 1.550 0.068 1.00 0.00 H new ATOM 0 HG2 GLU A 802 -11.254 0.821 -2.319 1.00 0.00 H new ATOM 0 HG3 GLU A 802 -11.845 -0.665 -1.602 1.00 0.00 H new ATOM 961 N VAL A 803 -8.275 2.376 -0.783 1.00 0.00 N ATOM 962 CA VAL A 803 -7.334 3.429 -0.416 1.00 0.00 C ATOM 963 C VAL A 803 -8.009 4.587 0.310 1.00 0.00 C ATOM 964 O VAL A 803 -9.089 5.034 -0.075 1.00 0.00 O ATOM 965 CB VAL A 803 -6.610 3.976 -1.658 1.00 0.00 C ATOM 966 CG1 VAL A 803 -5.504 4.939 -1.257 1.00 0.00 C ATOM 967 CG2 VAL A 803 -6.056 2.830 -2.486 1.00 0.00 C ATOM 0 H VAL A 803 -8.972 2.652 -1.474 1.00 0.00 H new ATOM 0 HA VAL A 803 -6.615 2.970 0.263 1.00 0.00 H new ATOM 0 HB VAL A 803 -7.328 4.527 -2.266 1.00 0.00 H new ATOM 0 HG11 VAL A 803 -5.006 5.313 -2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 803 -5.932 5.775 -0.703 1.00 0.00 H new ATOM 0 HG13 VAL A 803 -4.780 4.420 -0.628 1.00 0.00 H new ATOM 0 HG21 VAL A 803 -5.545 3.228 -3.363 1.00 0.00 H new ATOM 0 HG22 VAL A 803 -5.351 2.255 -1.886 1.00 0.00 H new ATOM 0 HG23 VAL A 803 -6.873 2.183 -2.805 1.00 0.00 H new ATOM 977 N ILE A 804 -7.343 5.084 1.351 1.00 0.00 N ATOM 978 CA ILE A 804 -7.857 6.210 2.123 1.00 0.00 C ATOM 979 C ILE A 804 -7.058 7.474 1.819 1.00 0.00 C ATOM 980 O ILE A 804 -7.578 8.586 1.913 1.00 0.00 O ATOM 981 CB ILE A 804 -7.831 5.954 3.653 1.00 0.00 C ATOM 982 CG1 ILE A 804 -7.095 4.653 4.001 1.00 0.00 C ATOM 983 CG2 ILE A 804 -9.246 5.928 4.201 1.00 0.00 C ATOM 984 CD1 ILE A 804 -7.147 4.303 5.473 1.00 0.00 C ATOM 0 H ILE A 804 -6.447 4.724 1.678 1.00 0.00 H new ATOM 0 HA ILE A 804 -8.897 6.336 1.823 1.00 0.00 H new ATOM 0 HB ILE A 804 -7.282 6.772 4.119 1.00 0.00 H new ATOM 0 HG12 ILE A 804 -7.529 3.835 3.426 1.00 0.00 H new ATOM 0 HG13 ILE A 804 -6.053 4.741 3.694 1.00 0.00 H new ATOM 0 HG21 ILE A 804 -9.217 5.748 5.276 1.00 0.00 H new ATOM 0 HG22 ILE A 804 -9.729 6.886 4.007 1.00 0.00 H new ATOM 0 HG23 ILE A 804 -9.810 5.132 3.715 1.00 0.00 H new ATOM 0 HD11 ILE A 804 -6.606 3.372 5.645 1.00 0.00 H new ATOM 0 HD12 ILE A 804 -6.687 5.102 6.054 1.00 0.00 H new ATOM 0 HD13 ILE A 804 -8.185 4.182 5.782 1.00 0.00 H new ATOM 996 N ALA A 805 -5.790 7.297 1.450 1.00 0.00 N ATOM 997 CA ALA A 805 -4.924 8.423 1.129 1.00 0.00 C ATOM 998 C ALA A 805 -5.139 8.886 -0.311 1.00 0.00 C ATOM 999 O ALA A 805 -4.963 8.110 -1.250 1.00 0.00 O ATOM 1000 CB ALA A 805 -3.462 8.053 1.350 1.00 0.00 C ATOM 0 H ALA A 805 -5.343 6.384 1.367 1.00 0.00 H new ATOM 0 HA ALA A 805 -5.182 9.246 1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 805 -2.830 8.906 1.105 1.00 0.00 H new ATOM 0 HB2 ALA A 805 -3.310 7.777 2.393 1.00 0.00 H new ATOM 0 HB3 ALA A 805 -3.199 7.211 0.710 1.00 0.00 H new ATOM 1006 N PRO A 806 -5.518 10.161 -0.508 1.00 0.00 N ATOM 1007 CA PRO A 806 -5.748 10.718 -1.845 1.00 0.00 C ATOM 1008 C PRO A 806 -4.468 10.775 -2.670 1.00 0.00 C ATOM 1009 O PRO A 806 -3.366 10.667 -2.134 1.00 0.00 O ATOM 1010 CB PRO A 806 -6.269 12.130 -1.564 1.00 0.00 C ATOM 1011 CG PRO A 806 -5.754 12.458 -0.208 1.00 0.00 C ATOM 1012 CD PRO A 806 -5.745 11.160 0.549 1.00 0.00 C ATOM 0 HA PRO A 806 -6.439 10.108 -2.428 1.00 0.00 H new ATOM 0 HB2 PRO A 806 -5.908 12.841 -2.307 1.00 0.00 H new ATOM 0 HB3 PRO A 806 -7.358 12.164 -1.593 1.00 0.00 H new ATOM 0 HG2 PRO A 806 -4.753 12.886 -0.262 1.00 0.00 H new ATOM 0 HG3 PRO A 806 -6.389 13.194 0.285 1.00 0.00 H new ATOM 0 HD2 PRO A 806 -4.957 11.137 1.302 1.00 0.00 H new ATOM 0 HD3 PRO A 806 -6.688 10.990 1.069 1.00 0.00 H new ATOM 1020 N ALA A 807 -4.622 10.942 -3.978 1.00 0.00 N ATOM 1021 CA ALA A 807 -3.478 11.008 -4.881 1.00 0.00 C ATOM 1022 C ALA A 807 -3.014 12.448 -5.077 1.00 0.00 C ATOM 1023 O ALA A 807 -3.822 13.377 -5.060 1.00 0.00 O ATOM 1024 CB ALA A 807 -3.827 10.378 -6.220 1.00 0.00 C ATOM 0 H ALA A 807 -5.528 11.034 -4.438 1.00 0.00 H new ATOM 0 HA ALA A 807 -2.658 10.449 -4.430 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -2.965 10.434 -6.884 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -4.102 9.334 -6.070 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -4.665 10.914 -6.667 1.00 0.00 H new