USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=15 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 150:sc= -0.91 USER MOD Single : A 758 THR OG1 : rot -100:sc= -0.708 USER MOD Single : A 760 SER OG : rot 174:sc= -1.31 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 :FLIP amide:sc= -0.0854 F(o=-1.4,f=-0.085) USER MOD Single : A 771 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 773 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.00634) USER MOD Single : A 776 TYR OH : rot 180:sc= 0 USER MOD Single : A 777 ASN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 782 MET CE :methyl 145:sc= -6.38! (180deg=-9.96!) USER MOD Single : A 786 MET CE :methyl 166:sc= -6.16! (180deg=-6.67!) USER MOD Single : A 788 MET CE :methyl 166:sc= -0.0765 (180deg=-0.458) USER MOD Single : A 793 THR OG1 : rot 147:sc= -1.92! USER MOD Single : A 795 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 796 ASN : amide:sc= 0.0181 K(o=0.018,f=-1.8!) USER MOD Single : A 797 THR OG1 : rot 180:sc= 0 USER MOD Single : A 798 ASN : amide:sc= -0.196 K(o=-0.2,f=-1.5!) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLY A 743 8.499 -0.446 7.194 1.00 0.00 N ATOM 37 CA GLY A 743 7.117 -0.372 6.758 1.00 0.00 C ATOM 38 C GLY A 743 6.172 0.013 7.880 1.00 0.00 C ATOM 39 O GLY A 743 5.232 -0.721 8.186 1.00 0.00 O ATOM 0 HA2 GLY A 743 7.033 0.356 5.951 1.00 0.00 H new ATOM 0 HA3 GLY A 743 6.816 -1.337 6.350 1.00 0.00 H new ATOM 43 N SER A 744 6.419 1.168 8.489 1.00 0.00 N ATOM 44 CA SER A 744 5.579 1.655 9.580 1.00 0.00 C ATOM 45 C SER A 744 4.897 2.955 9.180 1.00 0.00 C ATOM 46 O SER A 744 3.682 3.105 9.316 1.00 0.00 O ATOM 47 CB SER A 744 6.416 1.868 10.844 1.00 0.00 C ATOM 48 OG SER A 744 7.490 0.945 10.906 1.00 0.00 O ATOM 0 H SER A 744 7.194 1.785 8.246 1.00 0.00 H new ATOM 0 HA SER A 744 4.815 0.906 9.789 1.00 0.00 H new ATOM 0 HB2 SER A 744 6.806 2.886 10.859 1.00 0.00 H new ATOM 0 HB3 SER A 744 5.785 1.756 11.725 1.00 0.00 H new ATOM 0 HG SER A 744 8.010 1.103 11.721 1.00 0.00 H new ATOM 54 N GLU A 745 5.693 3.883 8.673 1.00 0.00 N ATOM 55 CA GLU A 745 5.192 5.176 8.227 1.00 0.00 C ATOM 56 C GLU A 745 6.134 5.768 7.191 1.00 0.00 C ATOM 57 O GLU A 745 5.713 6.168 6.105 1.00 0.00 O ATOM 58 CB GLU A 745 5.033 6.137 9.403 1.00 0.00 C ATOM 59 CG GLU A 745 4.205 7.367 9.066 1.00 0.00 C ATOM 60 CD GLU A 745 3.006 7.532 9.979 1.00 0.00 C ATOM 61 OE1 GLU A 745 2.422 6.505 10.384 1.00 0.00 O ATOM 62 OE2 GLU A 745 2.650 8.689 10.287 1.00 0.00 O ATOM 0 H GLU A 745 6.700 3.764 8.559 1.00 0.00 H new ATOM 0 HA GLU A 745 4.211 5.026 7.776 1.00 0.00 H new ATOM 0 HB2 GLU A 745 4.565 5.609 10.234 1.00 0.00 H new ATOM 0 HB3 GLU A 745 6.020 6.453 9.741 1.00 0.00 H new ATOM 0 HG2 GLU A 745 4.834 8.254 9.136 1.00 0.00 H new ATOM 0 HG3 GLU A 745 3.864 7.299 8.033 1.00 0.00 H new ATOM 69 N ASP A 746 7.417 5.799 7.528 1.00 0.00 N ATOM 70 CA ASP A 746 8.428 6.319 6.620 1.00 0.00 C ATOM 71 C ASP A 746 9.509 5.272 6.378 1.00 0.00 C ATOM 72 O ASP A 746 10.461 5.149 7.150 1.00 0.00 O ATOM 73 CB ASP A 746 9.052 7.595 7.188 1.00 0.00 C ATOM 74 CG ASP A 746 8.170 8.811 6.982 1.00 0.00 C ATOM 75 OD1 ASP A 746 7.595 8.949 5.881 1.00 0.00 O ATOM 76 OD2 ASP A 746 8.052 9.624 7.923 1.00 0.00 O ATOM 0 H ASP A 746 7.781 5.470 8.423 1.00 0.00 H new ATOM 0 HA ASP A 746 7.949 6.558 5.671 1.00 0.00 H new ATOM 0 HB2 ASP A 746 9.239 7.462 8.254 1.00 0.00 H new ATOM 0 HB3 ASP A 746 10.018 7.766 6.714 1.00 0.00 H new ATOM 81 N ASP A 747 9.352 4.525 5.293 1.00 0.00 N ATOM 82 CA ASP A 747 10.302 3.485 4.920 1.00 0.00 C ATOM 83 C ASP A 747 10.855 3.742 3.521 1.00 0.00 C ATOM 84 O ASP A 747 10.123 4.188 2.637 1.00 0.00 O ATOM 85 CB ASP A 747 9.629 2.111 4.975 1.00 0.00 C ATOM 86 CG ASP A 747 10.606 0.973 4.764 1.00 0.00 C ATOM 87 OD1 ASP A 747 11.088 0.808 3.624 1.00 0.00 O ATOM 88 OD2 ASP A 747 10.889 0.245 5.738 1.00 0.00 O ATOM 0 H ASP A 747 8.567 4.622 4.649 1.00 0.00 H new ATOM 0 HA ASP A 747 11.130 3.502 5.629 1.00 0.00 H new ATOM 0 HB2 ASP A 747 9.139 1.989 5.941 1.00 0.00 H new ATOM 0 HB3 ASP A 747 8.850 2.062 4.214 1.00 0.00 H new ATOM 93 N PRO A 748 12.152 3.460 3.296 1.00 0.00 N ATOM 94 CA PRO A 748 12.799 3.657 1.996 1.00 0.00 C ATOM 95 C PRO A 748 11.898 3.326 0.809 1.00 0.00 C ATOM 96 O PRO A 748 12.060 3.890 -0.273 1.00 0.00 O ATOM 97 CB PRO A 748 13.969 2.683 2.066 1.00 0.00 C ATOM 98 CG PRO A 748 14.367 2.692 3.502 1.00 0.00 C ATOM 99 CD PRO A 748 13.102 2.919 4.293 1.00 0.00 C ATOM 0 HA PRO A 748 13.077 4.698 1.833 1.00 0.00 H new ATOM 0 HB2 PRO A 748 13.676 1.685 1.740 1.00 0.00 H new ATOM 0 HB3 PRO A 748 14.790 3.000 1.423 1.00 0.00 H new ATOM 0 HG2 PRO A 748 14.836 1.748 3.781 1.00 0.00 H new ATOM 0 HG3 PRO A 748 15.095 3.479 3.698 1.00 0.00 H new ATOM 0 HD2 PRO A 748 12.734 1.992 4.733 1.00 0.00 H new ATOM 0 HD3 PRO A 748 13.263 3.619 5.112 1.00 0.00 H new ATOM 107 N LEU A 749 10.960 2.403 1.003 1.00 0.00 N ATOM 108 CA LEU A 749 10.064 2.012 -0.078 1.00 0.00 C ATOM 109 C LEU A 749 8.594 2.270 0.256 1.00 0.00 C ATOM 110 O LEU A 749 7.753 2.299 -0.643 1.00 0.00 O ATOM 111 CB LEU A 749 10.280 0.538 -0.419 1.00 0.00 C ATOM 112 CG LEU A 749 11.665 0.214 -0.979 1.00 0.00 C ATOM 113 CD1 LEU A 749 11.974 -1.268 -0.841 1.00 0.00 C ATOM 114 CD2 LEU A 749 11.760 0.652 -2.431 1.00 0.00 C ATOM 0 H LEU A 749 10.802 1.918 1.886 1.00 0.00 H new ATOM 0 HA LEU A 749 10.305 2.631 -0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 749 10.117 -0.058 0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 749 9.527 0.232 -1.146 1.00 0.00 H new ATOM 0 HG LEU A 749 12.407 0.764 -0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 749 12.965 -1.472 -1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 749 11.948 -1.549 0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 749 11.231 -1.847 -1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 749 12.751 0.416 -2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 749 11.006 0.128 -3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 749 11.591 1.727 -2.499 1.00 0.00 H new ATOM 126 N TYR A 750 8.272 2.468 1.535 1.00 0.00 N ATOM 127 CA TYR A 750 6.881 2.723 1.917 1.00 0.00 C ATOM 128 C TYR A 750 6.313 3.877 1.112 1.00 0.00 C ATOM 129 O TYR A 750 5.232 3.771 0.554 1.00 0.00 O ATOM 130 CB TYR A 750 6.751 3.025 3.406 1.00 0.00 C ATOM 131 CG TYR A 750 5.341 3.387 3.838 1.00 0.00 C ATOM 132 CD1 TYR A 750 4.432 2.401 4.199 1.00 0.00 C ATOM 133 CD2 TYR A 750 4.929 4.714 3.908 1.00 0.00 C ATOM 134 CE1 TYR A 750 3.153 2.723 4.611 1.00 0.00 C ATOM 135 CE2 TYR A 750 3.655 5.044 4.327 1.00 0.00 C ATOM 136 CZ TYR A 750 2.771 4.045 4.676 1.00 0.00 C ATOM 137 OH TYR A 750 1.501 4.371 5.095 1.00 0.00 O ATOM 0 H TYR A 750 8.937 2.458 2.308 1.00 0.00 H new ATOM 0 HA TYR A 750 6.315 1.816 1.703 1.00 0.00 H new ATOM 0 HB2 TYR A 750 7.083 2.156 3.974 1.00 0.00 H new ATOM 0 HB3 TYR A 750 7.421 3.846 3.660 1.00 0.00 H new ATOM 0 HD1 TYR A 750 4.730 1.364 4.157 1.00 0.00 H new ATOM 0 HD2 TYR A 750 5.617 5.499 3.630 1.00 0.00 H new ATOM 0 HE1 TYR A 750 2.457 1.943 4.881 1.00 0.00 H new ATOM 0 HE2 TYR A 750 3.353 6.079 4.381 1.00 0.00 H new ATOM 0 HH TYR A 750 1.517 5.246 5.536 1.00 0.00 H new ATOM 147 N ASP A 751 7.050 4.978 1.044 1.00 0.00 N ATOM 148 CA ASP A 751 6.597 6.136 0.286 1.00 0.00 C ATOM 149 C ASP A 751 6.248 5.716 -1.137 1.00 0.00 C ATOM 150 O ASP A 751 5.291 6.216 -1.729 1.00 0.00 O ATOM 151 CB ASP A 751 7.672 7.222 0.266 1.00 0.00 C ATOM 152 CG ASP A 751 8.963 6.747 -0.373 1.00 0.00 C ATOM 153 OD1 ASP A 751 9.688 5.960 0.271 1.00 0.00 O ATOM 154 OD2 ASP A 751 9.248 7.162 -1.515 1.00 0.00 O ATOM 0 H ASP A 751 7.955 5.093 1.500 1.00 0.00 H new ATOM 0 HA ASP A 751 5.708 6.543 0.768 1.00 0.00 H new ATOM 0 HB2 ASP A 751 7.298 8.089 -0.278 1.00 0.00 H new ATOM 0 HB3 ASP A 751 7.874 7.549 1.286 1.00 0.00 H new ATOM 159 N GLU A 752 7.019 4.773 -1.669 1.00 0.00 N ATOM 160 CA GLU A 752 6.780 4.260 -3.010 1.00 0.00 C ATOM 161 C GLU A 752 5.515 3.411 -3.026 1.00 0.00 C ATOM 162 O GLU A 752 4.710 3.491 -3.953 1.00 0.00 O ATOM 163 CB GLU A 752 7.980 3.443 -3.490 1.00 0.00 C ATOM 164 CG GLU A 752 9.180 4.296 -3.874 1.00 0.00 C ATOM 165 CD GLU A 752 9.657 4.031 -5.289 1.00 0.00 C ATOM 166 OE1 GLU A 752 8.839 4.157 -6.224 1.00 0.00 O ATOM 167 OE2 GLU A 752 10.848 3.698 -5.461 1.00 0.00 O ATOM 0 H GLU A 752 7.814 4.350 -1.191 1.00 0.00 H new ATOM 0 HA GLU A 752 6.645 5.101 -3.690 1.00 0.00 H new ATOM 0 HB2 GLU A 752 8.275 2.748 -2.703 1.00 0.00 H new ATOM 0 HB3 GLU A 752 7.681 2.843 -4.349 1.00 0.00 H new ATOM 0 HG2 GLU A 752 8.919 5.349 -3.774 1.00 0.00 H new ATOM 0 HG3 GLU A 752 9.996 4.103 -3.178 1.00 0.00 H new ATOM 174 N ALA A 753 5.346 2.607 -1.980 1.00 0.00 N ATOM 175 CA ALA A 753 4.173 1.749 -1.855 1.00 0.00 C ATOM 176 C ALA A 753 2.916 2.598 -1.739 1.00 0.00 C ATOM 177 O ALA A 753 1.965 2.426 -2.497 1.00 0.00 O ATOM 178 CB ALA A 753 4.311 0.833 -0.649 1.00 0.00 C ATOM 0 H ALA A 753 6.007 2.532 -1.207 1.00 0.00 H new ATOM 0 HA ALA A 753 4.095 1.129 -2.748 1.00 0.00 H new ATOM 0 HB1 ALA A 753 3.427 0.200 -0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 753 5.196 0.208 -0.766 1.00 0.00 H new ATOM 0 HB3 ALA A 753 4.408 1.434 0.255 1.00 0.00 H new ATOM 184 N VAL A 754 2.935 3.527 -0.791 1.00 0.00 N ATOM 185 CA VAL A 754 1.819 4.430 -0.565 1.00 0.00 C ATOM 186 C VAL A 754 1.483 5.186 -1.846 1.00 0.00 C ATOM 187 O VAL A 754 0.313 5.372 -2.182 1.00 0.00 O ATOM 188 CB VAL A 754 2.161 5.420 0.569 1.00 0.00 C ATOM 189 CG1 VAL A 754 1.286 6.661 0.533 1.00 0.00 C ATOM 190 CG2 VAL A 754 2.039 4.726 1.910 1.00 0.00 C ATOM 0 H VAL A 754 3.723 3.673 -0.160 1.00 0.00 H new ATOM 0 HA VAL A 754 0.948 3.846 -0.269 1.00 0.00 H new ATOM 0 HB VAL A 754 3.189 5.751 0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 754 1.565 7.327 1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 754 1.424 7.176 -0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 754 0.240 6.372 0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 754 2.281 5.429 2.707 1.00 0.00 H new ATOM 0 HG22 VAL A 754 1.019 4.366 2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 754 2.729 3.883 1.948 1.00 0.00 H new ATOM 200 N ARG A 755 2.518 5.593 -2.573 1.00 0.00 N ATOM 201 CA ARG A 755 2.329 6.297 -3.831 1.00 0.00 C ATOM 202 C ARG A 755 1.768 5.336 -4.871 1.00 0.00 C ATOM 203 O ARG A 755 0.948 5.710 -5.713 1.00 0.00 O ATOM 204 CB ARG A 755 3.656 6.882 -4.318 1.00 0.00 C ATOM 205 CG ARG A 755 3.498 7.911 -5.427 1.00 0.00 C ATOM 206 CD ARG A 755 4.674 7.879 -6.391 1.00 0.00 C ATOM 207 NE ARG A 755 5.244 9.207 -6.603 1.00 0.00 N ATOM 208 CZ ARG A 755 6.032 9.521 -7.630 1.00 0.00 C ATOM 209 NH1 ARG A 755 6.341 8.607 -8.542 1.00 0.00 N ATOM 210 NH2 ARG A 755 6.511 10.752 -7.746 1.00 0.00 N ATOM 0 H ARG A 755 3.493 5.447 -2.312 1.00 0.00 H new ATOM 0 HA ARG A 755 1.626 7.116 -3.679 1.00 0.00 H new ATOM 0 HB2 ARG A 755 4.170 7.344 -3.476 1.00 0.00 H new ATOM 0 HB3 ARG A 755 4.292 6.071 -4.674 1.00 0.00 H new ATOM 0 HG2 ARG A 755 2.574 7.720 -5.973 1.00 0.00 H new ATOM 0 HG3 ARG A 755 3.411 8.906 -4.991 1.00 0.00 H new ATOM 0 HD2 ARG A 755 5.443 7.212 -6.002 1.00 0.00 H new ATOM 0 HD3 ARG A 755 4.349 7.467 -7.346 1.00 0.00 H new ATOM 0 HE ARG A 755 5.026 9.937 -5.925 1.00 0.00 H new ATOM 0 HH11 ARG A 755 5.975 7.659 -8.458 1.00 0.00 H new ATOM 0 HH12 ARG A 755 6.945 8.853 -9.326 1.00 0.00 H new ATOM 0 HH21 ARG A 755 6.276 11.458 -7.049 1.00 0.00 H new ATOM 0 HH22 ARG A 755 7.114 10.992 -8.532 1.00 0.00 H new ATOM 224 N PHE A 756 2.219 4.087 -4.792 1.00 0.00 N ATOM 225 CA PHE A 756 1.779 3.044 -5.706 1.00 0.00 C ATOM 226 C PHE A 756 0.298 2.725 -5.496 1.00 0.00 C ATOM 227 O PHE A 756 -0.465 2.620 -6.455 1.00 0.00 O ATOM 228 CB PHE A 756 2.629 1.783 -5.500 1.00 0.00 C ATOM 229 CG PHE A 756 1.912 0.505 -5.826 1.00 0.00 C ATOM 230 CD1 PHE A 756 1.171 -0.153 -4.862 1.00 0.00 C ATOM 231 CD2 PHE A 756 1.970 -0.029 -7.100 1.00 0.00 C ATOM 232 CE1 PHE A 756 0.504 -1.323 -5.164 1.00 0.00 C ATOM 233 CE2 PHE A 756 1.306 -1.193 -7.408 1.00 0.00 C ATOM 234 CZ PHE A 756 0.571 -1.842 -6.439 1.00 0.00 C ATOM 0 H PHE A 756 2.896 3.773 -4.096 1.00 0.00 H new ATOM 0 HA PHE A 756 1.906 3.400 -6.728 1.00 0.00 H new ATOM 0 HB2 PHE A 756 3.523 1.854 -6.119 1.00 0.00 H new ATOM 0 HB3 PHE A 756 2.962 1.747 -4.463 1.00 0.00 H new ATOM 0 HD1 PHE A 756 1.113 0.253 -3.863 1.00 0.00 H new ATOM 0 HD2 PHE A 756 2.544 0.475 -7.863 1.00 0.00 H new ATOM 0 HE1 PHE A 756 -0.069 -1.831 -4.403 1.00 0.00 H new ATOM 0 HE2 PHE A 756 1.360 -1.598 -8.408 1.00 0.00 H new ATOM 0 HZ PHE A 756 0.048 -2.756 -6.679 1.00 0.00 H new ATOM 244 N VAL A 757 -0.100 2.574 -4.236 1.00 0.00 N ATOM 245 CA VAL A 757 -1.484 2.268 -3.910 1.00 0.00 C ATOM 246 C VAL A 757 -2.380 3.456 -4.227 1.00 0.00 C ATOM 247 O VAL A 757 -3.432 3.308 -4.850 1.00 0.00 O ATOM 248 CB VAL A 757 -1.646 1.893 -2.425 1.00 0.00 C ATOM 249 CG1 VAL A 757 -3.082 1.492 -2.129 1.00 0.00 C ATOM 250 CG2 VAL A 757 -0.688 0.774 -2.050 1.00 0.00 C ATOM 0 H VAL A 757 0.517 2.659 -3.428 1.00 0.00 H new ATOM 0 HA VAL A 757 -1.778 1.413 -4.518 1.00 0.00 H new ATOM 0 HB VAL A 757 -1.404 2.767 -1.821 1.00 0.00 H new ATOM 0 HG11 VAL A 757 -3.177 1.231 -1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 757 -3.747 2.325 -2.357 1.00 0.00 H new ATOM 0 HG13 VAL A 757 -3.353 0.632 -2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 757 -0.817 0.522 -0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 757 -0.897 -0.104 -2.661 1.00 0.00 H new ATOM 0 HG23 VAL A 757 0.338 1.100 -2.222 1.00 0.00 H new ATOM 260 N THR A 758 -1.952 4.636 -3.796 1.00 0.00 N ATOM 261 CA THR A 758 -2.708 5.858 -4.034 1.00 0.00 C ATOM 262 C THR A 758 -3.013 6.031 -5.519 1.00 0.00 C ATOM 263 O THR A 758 -4.127 6.397 -5.894 1.00 0.00 O ATOM 264 CB THR A 758 -1.922 7.064 -3.521 1.00 0.00 C ATOM 265 OG1 THR A 758 -0.558 6.964 -3.889 1.00 0.00 O ATOM 266 CG2 THR A 758 -1.980 7.223 -2.017 1.00 0.00 C ATOM 0 H THR A 758 -1.083 4.772 -3.279 1.00 0.00 H new ATOM 0 HA THR A 758 -3.653 5.786 -3.496 1.00 0.00 H new ATOM 0 HB THR A 758 -2.394 7.933 -3.979 1.00 0.00 H new ATOM 0 HG1 THR A 758 -0.038 6.630 -3.129 1.00 0.00 H new ATOM 0 HG21 THR A 758 -1.401 8.098 -1.721 1.00 0.00 H new ATOM 0 HG22 THR A 758 -3.016 7.351 -1.704 1.00 0.00 H new ATOM 0 HG23 THR A 758 -1.564 6.335 -1.541 1.00 0.00 H new ATOM 274 N GLU A 759 -2.016 5.767 -6.359 1.00 0.00 N ATOM 275 CA GLU A 759 -2.182 5.898 -7.803 1.00 0.00 C ATOM 276 C GLU A 759 -2.920 4.695 -8.390 1.00 0.00 C ATOM 277 O GLU A 759 -3.716 4.839 -9.318 1.00 0.00 O ATOM 278 CB GLU A 759 -0.820 6.058 -8.481 1.00 0.00 C ATOM 279 CG GLU A 759 -0.799 7.136 -9.553 1.00 0.00 C ATOM 280 CD GLU A 759 0.564 7.286 -10.201 1.00 0.00 C ATOM 281 OE1 GLU A 759 1.239 6.256 -10.410 1.00 0.00 O ATOM 282 OE2 GLU A 759 0.955 8.433 -10.500 1.00 0.00 O ATOM 0 H GLU A 759 -1.088 5.462 -6.066 1.00 0.00 H new ATOM 0 HA GLU A 759 -2.783 6.788 -7.990 1.00 0.00 H new ATOM 0 HB2 GLU A 759 -0.072 6.295 -7.724 1.00 0.00 H new ATOM 0 HB3 GLU A 759 -0.531 5.107 -8.928 1.00 0.00 H new ATOM 0 HG2 GLU A 759 -1.537 6.897 -10.319 1.00 0.00 H new ATOM 0 HG3 GLU A 759 -1.095 8.088 -9.112 1.00 0.00 H new ATOM 289 N SER A 760 -2.647 3.511 -7.850 1.00 0.00 N ATOM 290 CA SER A 760 -3.284 2.286 -8.328 1.00 0.00 C ATOM 291 C SER A 760 -4.723 2.170 -7.823 1.00 0.00 C ATOM 292 O SER A 760 -5.500 1.362 -8.331 1.00 0.00 O ATOM 293 CB SER A 760 -2.479 1.062 -7.886 1.00 0.00 C ATOM 294 OG SER A 760 -2.775 0.711 -6.546 1.00 0.00 O ATOM 0 H SER A 760 -1.990 3.373 -7.082 1.00 0.00 H new ATOM 0 HA SER A 760 -3.308 2.329 -9.417 1.00 0.00 H new ATOM 0 HB2 SER A 760 -2.701 0.221 -8.543 1.00 0.00 H new ATOM 0 HB3 SER A 760 -1.413 1.270 -7.983 1.00 0.00 H new ATOM 0 HG SER A 760 -2.323 -0.128 -6.320 1.00 0.00 H new ATOM 300 N ARG A 761 -5.071 2.975 -6.822 1.00 0.00 N ATOM 301 CA ARG A 761 -6.416 2.957 -6.252 1.00 0.00 C ATOM 302 C ARG A 761 -6.733 1.606 -5.613 1.00 0.00 C ATOM 303 O ARG A 761 -7.898 1.264 -5.412 1.00 0.00 O ATOM 304 CB ARG A 761 -7.456 3.282 -7.328 1.00 0.00 C ATOM 305 CG ARG A 761 -7.505 4.753 -7.703 1.00 0.00 C ATOM 306 CD ARG A 761 -8.127 5.591 -6.598 1.00 0.00 C ATOM 307 NE ARG A 761 -9.067 6.579 -7.123 1.00 0.00 N ATOM 308 CZ ARG A 761 -9.452 7.665 -6.454 1.00 0.00 C ATOM 309 NH1 ARG A 761 -8.985 7.905 -5.236 1.00 0.00 N ATOM 310 NH2 ARG A 761 -10.309 8.513 -7.008 1.00 0.00 N ATOM 0 H ARG A 761 -4.440 3.649 -6.388 1.00 0.00 H new ATOM 0 HA ARG A 761 -6.455 3.719 -5.473 1.00 0.00 H new ATOM 0 HB2 ARG A 761 -7.238 2.695 -8.221 1.00 0.00 H new ATOM 0 HB3 ARG A 761 -8.440 2.973 -6.975 1.00 0.00 H new ATOM 0 HG2 ARG A 761 -6.496 5.111 -7.908 1.00 0.00 H new ATOM 0 HG3 ARG A 761 -8.079 4.876 -8.621 1.00 0.00 H new ATOM 0 HD2 ARG A 761 -8.643 4.938 -5.895 1.00 0.00 H new ATOM 0 HD3 ARG A 761 -7.340 6.100 -6.042 1.00 0.00 H new ATOM 0 HE ARG A 761 -9.451 6.428 -8.056 1.00 0.00 H new ATOM 0 HH11 ARG A 761 -8.326 7.256 -4.805 1.00 0.00 H new ATOM 0 HH12 ARG A 761 -9.284 8.739 -4.730 1.00 0.00 H new ATOM 0 HH21 ARG A 761 -10.672 8.333 -7.944 1.00 0.00 H new ATOM 0 HH22 ARG A 761 -10.605 9.345 -6.498 1.00 0.00 H new ATOM 324 N ARG A 762 -5.692 0.840 -5.297 1.00 0.00 N ATOM 325 CA ARG A 762 -5.864 -0.470 -4.682 1.00 0.00 C ATOM 326 C ARG A 762 -4.626 -0.860 -3.880 1.00 0.00 C ATOM 327 O ARG A 762 -3.497 -0.612 -4.306 1.00 0.00 O ATOM 328 CB ARG A 762 -6.150 -1.516 -5.758 1.00 0.00 C ATOM 329 CG ARG A 762 -4.964 -1.797 -6.668 1.00 0.00 C ATOM 330 CD ARG A 762 -5.402 -1.969 -8.113 1.00 0.00 C ATOM 331 NE ARG A 762 -4.273 -1.923 -9.038 1.00 0.00 N ATOM 332 CZ ARG A 762 -4.321 -2.385 -10.286 1.00 0.00 C ATOM 333 NH1 ARG A 762 -5.436 -2.931 -10.756 1.00 0.00 N ATOM 334 NH2 ARG A 762 -3.252 -2.303 -11.064 1.00 0.00 N ATOM 0 H ARG A 762 -4.720 1.106 -5.457 1.00 0.00 H new ATOM 0 HA ARG A 762 -6.710 -0.423 -3.997 1.00 0.00 H new ATOM 0 HB2 ARG A 762 -6.456 -2.445 -5.277 1.00 0.00 H new ATOM 0 HB3 ARG A 762 -6.991 -1.180 -6.365 1.00 0.00 H new ATOM 0 HG2 ARG A 762 -4.248 -0.978 -6.598 1.00 0.00 H new ATOM 0 HG3 ARG A 762 -4.451 -2.698 -6.332 1.00 0.00 H new ATOM 0 HD2 ARG A 762 -5.922 -2.921 -8.223 1.00 0.00 H new ATOM 0 HD3 ARG A 762 -6.114 -1.185 -8.371 1.00 0.00 H new ATOM 0 HE ARG A 762 -3.398 -1.514 -8.710 1.00 0.00 H new ATOM 0 HH11 ARG A 762 -6.261 -2.998 -10.160 1.00 0.00 H new ATOM 0 HH12 ARG A 762 -5.467 -3.283 -11.713 1.00 0.00 H new ATOM 0 HH21 ARG A 762 -2.392 -1.886 -10.707 1.00 0.00 H new ATOM 0 HH22 ARG A 762 -3.289 -2.657 -12.020 1.00 0.00 H new ATOM 348 N ALA A 763 -4.841 -1.469 -2.718 1.00 0.00 N ATOM 349 CA ALA A 763 -3.740 -1.884 -1.862 1.00 0.00 C ATOM 350 C ALA A 763 -3.553 -3.397 -1.885 1.00 0.00 C ATOM 351 O ALA A 763 -4.123 -4.117 -1.064 1.00 0.00 O ATOM 352 CB ALA A 763 -3.972 -1.406 -0.438 1.00 0.00 C ATOM 0 H ALA A 763 -5.767 -1.685 -2.350 1.00 0.00 H new ATOM 0 HA ALA A 763 -2.828 -1.429 -2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 763 -3.141 -1.723 0.192 1.00 0.00 H new ATOM 0 HB2 ALA A 763 -4.042 -0.318 -0.426 1.00 0.00 H new ATOM 0 HB3 ALA A 763 -4.900 -1.833 -0.057 1.00 0.00 H new ATOM 358 N SER A 764 -2.732 -3.868 -2.814 1.00 0.00 N ATOM 359 CA SER A 764 -2.442 -5.290 -2.932 1.00 0.00 C ATOM 360 C SER A 764 -0.945 -5.513 -2.813 1.00 0.00 C ATOM 361 O SER A 764 -0.169 -5.002 -3.616 1.00 0.00 O ATOM 362 CB SER A 764 -2.953 -5.835 -4.267 1.00 0.00 C ATOM 363 OG SER A 764 -4.182 -5.230 -4.630 1.00 0.00 O ATOM 0 H SER A 764 -2.254 -3.283 -3.499 1.00 0.00 H new ATOM 0 HA SER A 764 -2.952 -5.823 -2.129 1.00 0.00 H new ATOM 0 HB2 SER A 764 -2.211 -5.653 -5.045 1.00 0.00 H new ATOM 0 HB3 SER A 764 -3.083 -6.915 -4.196 1.00 0.00 H new ATOM 0 HG SER A 764 -4.485 -5.595 -5.487 1.00 0.00 H new ATOM 369 N ILE A 765 -0.541 -6.264 -1.801 1.00 0.00 N ATOM 370 CA ILE A 765 0.871 -6.529 -1.571 1.00 0.00 C ATOM 371 C ILE A 765 1.551 -7.090 -2.816 1.00 0.00 C ATOM 372 O ILE A 765 2.602 -6.604 -3.229 1.00 0.00 O ATOM 373 CB ILE A 765 1.086 -7.498 -0.398 1.00 0.00 C ATOM 374 CG1 ILE A 765 0.261 -7.067 0.818 1.00 0.00 C ATOM 375 CG2 ILE A 765 2.561 -7.560 -0.049 1.00 0.00 C ATOM 376 CD1 ILE A 765 0.141 -8.140 1.878 1.00 0.00 C ATOM 0 H ILE A 765 -1.169 -6.700 -1.126 1.00 0.00 H new ATOM 0 HA ILE A 765 1.324 -5.569 -1.323 1.00 0.00 H new ATOM 0 HB ILE A 765 0.751 -8.492 -0.695 1.00 0.00 H new ATOM 0 HG12 ILE A 765 0.716 -6.180 1.260 1.00 0.00 H new ATOM 0 HG13 ILE A 765 -0.737 -6.782 0.487 1.00 0.00 H new ATOM 0 HG21 ILE A 765 2.709 -8.248 0.783 1.00 0.00 H new ATOM 0 HG22 ILE A 765 3.125 -7.909 -0.914 1.00 0.00 H new ATOM 0 HG23 ILE A 765 2.910 -6.567 0.235 1.00 0.00 H new ATOM 0 HD11 ILE A 765 -0.456 -7.765 2.709 1.00 0.00 H new ATOM 0 HD12 ILE A 765 -0.342 -9.020 1.452 1.00 0.00 H new ATOM 0 HD13 ILE A 765 1.134 -8.409 2.237 1.00 0.00 H new ATOM 388 N SER A 766 0.948 -8.113 -3.414 1.00 0.00 N ATOM 389 CA SER A 766 1.504 -8.728 -4.614 1.00 0.00 C ATOM 390 C SER A 766 1.755 -7.676 -5.688 1.00 0.00 C ATOM 391 O SER A 766 2.803 -7.664 -6.338 1.00 0.00 O ATOM 392 CB SER A 766 0.558 -9.804 -5.148 1.00 0.00 C ATOM 393 OG SER A 766 0.918 -10.195 -6.462 1.00 0.00 O ATOM 0 H SER A 766 0.077 -8.532 -3.088 1.00 0.00 H new ATOM 0 HA SER A 766 2.454 -9.192 -4.351 1.00 0.00 H new ATOM 0 HB2 SER A 766 0.580 -10.672 -4.488 1.00 0.00 H new ATOM 0 HB3 SER A 766 -0.465 -9.427 -5.145 1.00 0.00 H new ATOM 0 HG SER A 766 0.298 -10.885 -6.779 1.00 0.00 H new ATOM 399 N ALA A 767 0.790 -6.786 -5.858 1.00 0.00 N ATOM 400 CA ALA A 767 0.903 -5.720 -6.841 1.00 0.00 C ATOM 401 C ALA A 767 1.988 -4.732 -6.435 1.00 0.00 C ATOM 402 O ALA A 767 2.817 -4.337 -7.253 1.00 0.00 O ATOM 403 CB ALA A 767 -0.437 -5.021 -7.015 1.00 0.00 C ATOM 0 H ALA A 767 -0.081 -6.781 -5.327 1.00 0.00 H new ATOM 0 HA ALA A 767 1.188 -6.154 -7.799 1.00 0.00 H new ATOM 0 HB1 ALA A 767 -0.339 -4.225 -7.753 1.00 0.00 H new ATOM 0 HB2 ALA A 767 -1.182 -5.741 -7.354 1.00 0.00 H new ATOM 0 HB3 ALA A 767 -0.752 -4.595 -6.062 1.00 0.00 H new ATOM 409 N VAL A 768 1.991 -4.350 -5.160 1.00 0.00 N ATOM 410 CA VAL A 768 2.995 -3.424 -4.646 1.00 0.00 C ATOM 411 C VAL A 768 4.391 -3.964 -4.900 1.00 0.00 C ATOM 412 O VAL A 768 5.256 -3.252 -5.397 1.00 0.00 O ATOM 413 CB VAL A 768 2.850 -3.179 -3.128 1.00 0.00 C ATOM 414 CG1 VAL A 768 3.808 -2.094 -2.671 1.00 0.00 C ATOM 415 CG2 VAL A 768 1.427 -2.813 -2.761 1.00 0.00 C ATOM 0 H VAL A 768 1.312 -4.666 -4.467 1.00 0.00 H new ATOM 0 HA VAL A 768 2.839 -2.482 -5.171 1.00 0.00 H new ATOM 0 HB VAL A 768 3.100 -4.108 -2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 768 3.692 -1.934 -1.599 1.00 0.00 H new ATOM 0 HG12 VAL A 768 4.832 -2.400 -2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 768 3.588 -1.168 -3.202 1.00 0.00 H new ATOM 0 HG21 VAL A 768 1.360 -2.647 -1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 768 1.138 -1.903 -3.287 1.00 0.00 H new ATOM 0 HG23 VAL A 768 0.758 -3.625 -3.046 1.00 0.00 H new ATOM 425 N GLN A 769 4.612 -5.225 -4.545 1.00 0.00 N ATOM 426 CA GLN A 769 5.916 -5.837 -4.739 1.00 0.00 C ATOM 427 C GLN A 769 6.258 -5.909 -6.218 1.00 0.00 C ATOM 428 O GLN A 769 7.423 -5.790 -6.601 1.00 0.00 O ATOM 429 CB GLN A 769 5.974 -7.229 -4.100 1.00 0.00 C ATOM 430 CG GLN A 769 5.113 -8.270 -4.796 1.00 0.00 C ATOM 431 CD GLN A 769 5.814 -9.607 -4.939 1.00 0.00 C ATOM 432 OE1 GLN A 769 5.990 -10.307 -3.825 1.00 0.00 O flip ATOM 433 NE2 GLN A 769 6.194 -10.006 -6.040 1.00 0.00 N flip ATOM 0 H GLN A 769 3.911 -5.836 -4.126 1.00 0.00 H new ATOM 0 HA GLN A 769 6.659 -5.211 -4.244 1.00 0.00 H new ATOM 0 HB2 GLN A 769 7.008 -7.572 -4.097 1.00 0.00 H new ATOM 0 HB3 GLN A 769 5.661 -7.152 -3.059 1.00 0.00 H new ATOM 0 HG2 GLN A 769 4.189 -8.407 -4.234 1.00 0.00 H new ATOM 0 HG3 GLN A 769 4.833 -7.903 -5.784 1.00 0.00 H new ATOM 0 HE21 GLN A 769 6.038 -9.435 -6.871 1.00 0.00 H new ATOM 0 HE22 GLN A 769 6.665 -10.907 -6.121 1.00 0.00 H new ATOM 442 N ARG A 770 5.235 -6.098 -7.041 1.00 0.00 N ATOM 443 CA ARG A 770 5.415 -6.182 -8.481 1.00 0.00 C ATOM 444 C ARG A 770 5.780 -4.820 -9.074 1.00 0.00 C ATOM 445 O ARG A 770 6.651 -4.726 -9.938 1.00 0.00 O ATOM 446 CB ARG A 770 4.136 -6.715 -9.129 1.00 0.00 C ATOM 447 CG ARG A 770 4.228 -8.181 -9.517 1.00 0.00 C ATOM 448 CD ARG A 770 2.922 -8.688 -10.104 1.00 0.00 C ATOM 449 NE ARG A 770 3.030 -10.075 -10.550 1.00 0.00 N ATOM 450 CZ ARG A 770 2.046 -10.968 -10.459 1.00 0.00 C ATOM 451 NH1 ARG A 770 0.865 -10.624 -9.960 1.00 0.00 N ATOM 452 NH2 ARG A 770 2.243 -12.211 -10.877 1.00 0.00 N ATOM 0 H ARG A 770 4.268 -6.196 -6.732 1.00 0.00 H new ATOM 0 HA ARG A 770 6.238 -6.866 -8.686 1.00 0.00 H new ATOM 0 HB2 ARG A 770 3.303 -6.580 -8.439 1.00 0.00 H new ATOM 0 HB3 ARG A 770 3.913 -6.124 -10.017 1.00 0.00 H new ATOM 0 HG2 ARG A 770 5.030 -8.316 -10.243 1.00 0.00 H new ATOM 0 HG3 ARG A 770 4.488 -8.774 -8.640 1.00 0.00 H new ATOM 0 HD2 ARG A 770 2.132 -8.607 -9.357 1.00 0.00 H new ATOM 0 HD3 ARG A 770 2.632 -8.057 -10.945 1.00 0.00 H new ATOM 0 HE ARG A 770 3.915 -10.379 -10.957 1.00 0.00 H new ATOM 0 HH11 ARG A 770 0.705 -9.668 -9.642 1.00 0.00 H new ATOM 0 HH12 ARG A 770 0.118 -11.315 -9.895 1.00 0.00 H new ATOM 0 HH21 ARG A 770 3.146 -12.481 -11.267 1.00 0.00 H new ATOM 0 HH22 ARG A 770 1.491 -12.897 -10.809 1.00 0.00 H new ATOM 466 N LYS A 771 5.104 -3.770 -8.613 1.00 0.00 N ATOM 467 CA LYS A 771 5.356 -2.420 -9.110 1.00 0.00 C ATOM 468 C LYS A 771 6.612 -1.808 -8.491 1.00 0.00 C ATOM 469 O LYS A 771 7.346 -1.076 -9.155 1.00 0.00 O ATOM 470 CB LYS A 771 4.148 -1.517 -8.850 1.00 0.00 C ATOM 471 CG LYS A 771 3.789 -0.644 -10.047 1.00 0.00 C ATOM 472 CD LYS A 771 3.761 0.843 -9.725 1.00 0.00 C ATOM 473 CE LYS A 771 4.781 1.239 -8.669 1.00 0.00 C ATOM 474 NZ LYS A 771 5.042 2.706 -8.666 1.00 0.00 N ATOM 0 H LYS A 771 4.379 -3.828 -7.898 1.00 0.00 H new ATOM 0 HA LYS A 771 5.520 -2.498 -10.185 1.00 0.00 H new ATOM 0 HB2 LYS A 771 3.289 -2.135 -8.587 1.00 0.00 H new ATOM 0 HB3 LYS A 771 4.356 -0.879 -7.991 1.00 0.00 H new ATOM 0 HG2 LYS A 771 4.509 -0.822 -10.846 1.00 0.00 H new ATOM 0 HG3 LYS A 771 2.812 -0.944 -10.426 1.00 0.00 H new ATOM 0 HD2 LYS A 771 3.950 1.411 -10.636 1.00 0.00 H new ATOM 0 HD3 LYS A 771 2.764 1.116 -9.380 1.00 0.00 H new ATOM 0 HE2 LYS A 771 4.423 0.933 -7.686 1.00 0.00 H new ATOM 0 HE3 LYS A 771 5.714 0.705 -8.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 5.743 2.932 -7.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 5.409 2.995 -9.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 4.157 3.216 -8.469 1.00 0.00 H new ATOM 488 N LEU A 772 6.854 -2.107 -7.220 1.00 0.00 N ATOM 489 CA LEU A 772 8.022 -1.579 -6.518 1.00 0.00 C ATOM 490 C LEU A 772 9.223 -2.511 -6.637 1.00 0.00 C ATOM 491 O LEU A 772 10.333 -2.149 -6.248 1.00 0.00 O ATOM 492 CB LEU A 772 7.707 -1.348 -5.036 1.00 0.00 C ATOM 493 CG LEU A 772 7.527 0.117 -4.631 1.00 0.00 C ATOM 494 CD1 LEU A 772 6.054 0.470 -4.510 1.00 0.00 C ATOM 495 CD2 LEU A 772 8.249 0.397 -3.318 1.00 0.00 C ATOM 0 H LEU A 772 6.259 -2.711 -6.653 1.00 0.00 H new ATOM 0 HA LEU A 772 8.273 -0.629 -6.990 1.00 0.00 H new ATOM 0 HB2 LEU A 772 6.797 -1.893 -4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 772 8.511 -1.778 -4.438 1.00 0.00 H new ATOM 0 HG LEU A 772 7.963 0.741 -5.411 1.00 0.00 H new ATOM 0 HD11 LEU A 772 5.953 1.516 -4.221 1.00 0.00 H new ATOM 0 HD12 LEU A 772 5.561 0.309 -5.469 1.00 0.00 H new ATOM 0 HD13 LEU A 772 5.589 -0.162 -3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 772 8.112 1.443 -3.043 1.00 0.00 H new ATOM 0 HD22 LEU A 772 7.840 -0.241 -2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 772 9.313 0.189 -3.436 1.00 0.00 H new ATOM 507 N LYS A 773 9.002 -3.714 -7.149 1.00 0.00 N ATOM 508 CA LYS A 773 10.080 -4.683 -7.282 1.00 0.00 C ATOM 509 C LYS A 773 10.656 -5.002 -5.908 1.00 0.00 C ATOM 510 O LYS A 773 11.871 -5.114 -5.738 1.00 0.00 O ATOM 511 CB LYS A 773 11.176 -4.142 -8.204 1.00 0.00 C ATOM 512 CG LYS A 773 10.821 -4.218 -9.680 1.00 0.00 C ATOM 513 CD LYS A 773 11.646 -3.243 -10.504 1.00 0.00 C ATOM 514 CE LYS A 773 12.818 -3.938 -11.180 1.00 0.00 C ATOM 515 NZ LYS A 773 12.381 -4.748 -12.351 1.00 0.00 N ATOM 0 H LYS A 773 8.093 -4.040 -7.477 1.00 0.00 H new ATOM 0 HA LYS A 773 9.681 -5.597 -7.723 1.00 0.00 H new ATOM 0 HB2 LYS A 773 11.381 -3.104 -7.941 1.00 0.00 H new ATOM 0 HB3 LYS A 773 12.095 -4.702 -8.030 1.00 0.00 H new ATOM 0 HG2 LYS A 773 10.986 -5.233 -10.043 1.00 0.00 H new ATOM 0 HG3 LYS A 773 9.761 -4.001 -9.812 1.00 0.00 H new ATOM 0 HD2 LYS A 773 11.013 -2.777 -11.259 1.00 0.00 H new ATOM 0 HD3 LYS A 773 12.017 -2.444 -9.861 1.00 0.00 H new ATOM 0 HE2 LYS A 773 13.544 -3.193 -11.504 1.00 0.00 H new ATOM 0 HE3 LYS A 773 13.322 -4.583 -10.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 773 13.060 -5.519 -12.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 773 11.440 -5.148 -12.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 773 12.338 -4.142 -13.195 1.00 0.00 H new ATOM 529 N ILE A 774 9.768 -5.144 -4.927 1.00 0.00 N ATOM 530 CA ILE A 774 10.176 -5.450 -3.559 1.00 0.00 C ATOM 531 C ILE A 774 9.733 -6.857 -3.172 1.00 0.00 C ATOM 532 O ILE A 774 9.218 -7.603 -4.004 1.00 0.00 O ATOM 533 CB ILE A 774 9.592 -4.437 -2.543 1.00 0.00 C ATOM 534 CG1 ILE A 774 8.076 -4.337 -2.696 1.00 0.00 C ATOM 535 CG2 ILE A 774 10.232 -3.071 -2.721 1.00 0.00 C ATOM 536 CD1 ILE A 774 7.415 -3.384 -1.717 1.00 0.00 C ATOM 0 H ILE A 774 8.760 -5.052 -5.055 1.00 0.00 H new ATOM 0 HA ILE A 774 11.263 -5.382 -3.528 1.00 0.00 H new ATOM 0 HB ILE A 774 9.816 -4.795 -1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 774 7.845 -4.016 -3.712 1.00 0.00 H new ATOM 0 HG13 ILE A 774 7.643 -5.329 -2.569 1.00 0.00 H new ATOM 0 HG21 ILE A 774 9.808 -2.374 -1.998 1.00 0.00 H new ATOM 0 HG22 ILE A 774 11.307 -3.150 -2.562 1.00 0.00 H new ATOM 0 HG23 ILE A 774 10.040 -2.708 -3.731 1.00 0.00 H new ATOM 0 HD11 ILE A 774 6.339 -3.371 -1.892 1.00 0.00 H new ATOM 0 HD12 ILE A 774 7.613 -3.715 -0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 774 7.818 -2.381 -1.857 1.00 0.00 H new ATOM 548 N GLY A 775 9.932 -7.213 -1.910 1.00 0.00 N ATOM 549 CA GLY A 775 9.544 -8.530 -1.444 1.00 0.00 C ATOM 550 C GLY A 775 8.120 -8.554 -0.932 1.00 0.00 C ATOM 551 O GLY A 775 7.598 -7.534 -0.490 1.00 0.00 O ATOM 0 H GLY A 775 10.355 -6.614 -1.201 1.00 0.00 H new ATOM 0 HA2 GLY A 775 9.649 -9.248 -2.258 1.00 0.00 H new ATOM 0 HA3 GLY A 775 10.220 -8.847 -0.650 1.00 0.00 H new ATOM 555 N TYR A 776 7.486 -9.721 -0.989 1.00 0.00 N ATOM 556 CA TYR A 776 6.112 -9.860 -0.524 1.00 0.00 C ATOM 557 C TYR A 776 5.987 -9.427 0.933 1.00 0.00 C ATOM 558 O TYR A 776 5.075 -8.682 1.294 1.00 0.00 O ATOM 559 CB TYR A 776 5.639 -11.306 -0.680 1.00 0.00 C ATOM 560 CG TYR A 776 4.220 -11.527 -0.210 1.00 0.00 C ATOM 561 CD1 TYR A 776 3.929 -11.653 1.142 1.00 0.00 C ATOM 562 CD2 TYR A 776 3.171 -11.608 -1.117 1.00 0.00 C ATOM 563 CE1 TYR A 776 2.636 -11.853 1.577 1.00 0.00 C ATOM 564 CE2 TYR A 776 1.873 -11.808 -0.690 1.00 0.00 C ATOM 565 CZ TYR A 776 1.610 -11.930 0.658 1.00 0.00 C ATOM 566 OH TYR A 776 0.319 -12.129 1.088 1.00 0.00 O ATOM 0 H TYR A 776 7.900 -10.580 -1.351 1.00 0.00 H new ATOM 0 HA TYR A 776 5.482 -9.213 -1.134 1.00 0.00 H new ATOM 0 HB2 TYR A 776 5.716 -11.595 -1.728 1.00 0.00 H new ATOM 0 HB3 TYR A 776 6.306 -11.961 -0.119 1.00 0.00 H new ATOM 0 HD1 TYR A 776 4.729 -11.593 1.865 1.00 0.00 H new ATOM 0 HD2 TYR A 776 3.374 -11.513 -2.174 1.00 0.00 H new ATOM 0 HE1 TYR A 776 2.427 -11.949 2.632 1.00 0.00 H new ATOM 0 HE2 TYR A 776 1.068 -11.869 -1.408 1.00 0.00 H new ATOM 0 HH TYR A 776 -0.283 -12.158 0.315 1.00 0.00 H new ATOM 576 N ASN A 777 6.911 -9.897 1.764 1.00 0.00 N ATOM 577 CA ASN A 777 6.908 -9.556 3.180 1.00 0.00 C ATOM 578 C ASN A 777 7.123 -8.059 3.377 1.00 0.00 C ATOM 579 O ASN A 777 6.435 -7.424 4.175 1.00 0.00 O ATOM 580 CB ASN A 777 7.994 -10.343 3.918 1.00 0.00 C ATOM 581 CG ASN A 777 7.727 -11.836 3.917 1.00 0.00 C ATOM 582 OD1 ASN A 777 6.579 -12.273 3.836 1.00 0.00 O ATOM 583 ND2 ASN A 777 8.790 -12.627 4.011 1.00 0.00 N ATOM 0 H ASN A 777 7.671 -10.515 1.480 1.00 0.00 H new ATOM 0 HA ASN A 777 5.935 -9.822 3.592 1.00 0.00 H new ATOM 0 HB2 ASN A 777 8.960 -10.149 3.452 1.00 0.00 H new ATOM 0 HB3 ASN A 777 8.060 -9.989 4.947 1.00 0.00 H new ATOM 0 HD21 ASN A 777 8.673 -13.640 4.018 1.00 0.00 H new ATOM 0 HD22 ASN A 777 9.724 -12.221 4.076 1.00 0.00 H new ATOM 590 N ARG A 778 8.080 -7.499 2.642 1.00 0.00 N ATOM 591 CA ARG A 778 8.380 -6.079 2.736 1.00 0.00 C ATOM 592 C ARG A 778 7.175 -5.244 2.321 1.00 0.00 C ATOM 593 O ARG A 778 6.759 -4.335 3.040 1.00 0.00 O ATOM 594 CB ARG A 778 9.589 -5.754 1.859 1.00 0.00 C ATOM 595 CG ARG A 778 9.830 -4.269 1.655 1.00 0.00 C ATOM 596 CD ARG A 778 11.094 -4.029 0.850 1.00 0.00 C ATOM 597 NE ARG A 778 11.944 -3.002 1.455 1.00 0.00 N ATOM 598 CZ ARG A 778 13.191 -3.211 1.875 1.00 0.00 C ATOM 599 NH1 ARG A 778 13.752 -4.410 1.768 1.00 0.00 N ATOM 600 NH2 ARG A 778 13.882 -2.212 2.405 1.00 0.00 N ATOM 0 H ARG A 778 8.659 -8.010 1.976 1.00 0.00 H new ATOM 0 HA ARG A 778 8.615 -5.834 3.772 1.00 0.00 H new ATOM 0 HB2 ARG A 778 10.478 -6.196 2.308 1.00 0.00 H new ATOM 0 HB3 ARG A 778 9.455 -6.226 0.886 1.00 0.00 H new ATOM 0 HG2 ARG A 778 8.977 -3.826 1.141 1.00 0.00 H new ATOM 0 HG3 ARG A 778 9.911 -3.774 2.623 1.00 0.00 H new ATOM 0 HD2 ARG A 778 11.654 -4.961 0.768 1.00 0.00 H new ATOM 0 HD3 ARG A 778 10.827 -3.728 -0.163 1.00 0.00 H new ATOM 0 HE ARG A 778 11.556 -2.065 1.562 1.00 0.00 H new ATOM 0 HH11 ARG A 778 13.227 -5.184 1.360 1.00 0.00 H new ATOM 0 HH12 ARG A 778 14.707 -4.557 2.093 1.00 0.00 H new ATOM 0 HH21 ARG A 778 13.459 -1.288 2.490 1.00 0.00 H new ATOM 0 HH22 ARG A 778 14.837 -2.367 2.728 1.00 0.00 H new ATOM 614 N ALA A 779 6.612 -5.566 1.165 1.00 0.00 N ATOM 615 CA ALA A 779 5.445 -4.855 0.663 1.00 0.00 C ATOM 616 C ALA A 779 4.302 -4.950 1.667 1.00 0.00 C ATOM 617 O ALA A 779 3.685 -3.945 2.017 1.00 0.00 O ATOM 618 CB ALA A 779 5.025 -5.412 -0.689 1.00 0.00 C ATOM 0 H ALA A 779 6.944 -6.315 0.557 1.00 0.00 H new ATOM 0 HA ALA A 779 5.702 -3.804 0.531 1.00 0.00 H new ATOM 0 HB1 ALA A 779 4.151 -4.870 -1.050 1.00 0.00 H new ATOM 0 HB2 ALA A 779 5.843 -5.297 -1.400 1.00 0.00 H new ATOM 0 HB3 ALA A 779 4.779 -6.469 -0.587 1.00 0.00 H new ATOM 624 N ALA A 780 4.035 -6.167 2.137 1.00 0.00 N ATOM 625 CA ALA A 780 2.978 -6.402 3.113 1.00 0.00 C ATOM 626 C ALA A 780 3.185 -5.544 4.356 1.00 0.00 C ATOM 627 O ALA A 780 2.238 -4.953 4.876 1.00 0.00 O ATOM 628 CB ALA A 780 2.928 -7.875 3.492 1.00 0.00 C ATOM 0 H ALA A 780 4.540 -7.007 1.855 1.00 0.00 H new ATOM 0 HA ALA A 780 2.027 -6.122 2.660 1.00 0.00 H new ATOM 0 HB1 ALA A 780 2.134 -8.036 4.221 1.00 0.00 H new ATOM 0 HB2 ALA A 780 2.730 -8.473 2.602 1.00 0.00 H new ATOM 0 HB3 ALA A 780 3.884 -8.172 3.924 1.00 0.00 H new ATOM 634 N ARG A 781 4.429 -5.473 4.828 1.00 0.00 N ATOM 635 CA ARG A 781 4.747 -4.677 6.009 1.00 0.00 C ATOM 636 C ARG A 781 4.372 -3.219 5.775 1.00 0.00 C ATOM 637 O ARG A 781 3.702 -2.599 6.601 1.00 0.00 O ATOM 638 CB ARG A 781 6.236 -4.792 6.347 1.00 0.00 C ATOM 639 CG ARG A 781 6.602 -6.101 7.030 1.00 0.00 C ATOM 640 CD ARG A 781 8.057 -6.116 7.470 1.00 0.00 C ATOM 641 NE ARG A 781 8.572 -7.476 7.610 1.00 0.00 N ATOM 642 CZ ARG A 781 9.744 -7.772 8.169 1.00 0.00 C ATOM 643 NH1 ARG A 781 10.525 -6.807 8.640 1.00 0.00 N ATOM 644 NH2 ARG A 781 10.137 -9.035 8.258 1.00 0.00 N ATOM 0 H ARG A 781 5.227 -5.954 4.413 1.00 0.00 H new ATOM 0 HA ARG A 781 4.170 -5.059 6.851 1.00 0.00 H new ATOM 0 HB2 ARG A 781 6.817 -4.694 5.430 1.00 0.00 H new ATOM 0 HB3 ARG A 781 6.519 -3.962 6.994 1.00 0.00 H new ATOM 0 HG2 ARG A 781 5.958 -6.252 7.896 1.00 0.00 H new ATOM 0 HG3 ARG A 781 6.419 -6.931 6.348 1.00 0.00 H new ATOM 0 HD2 ARG A 781 8.661 -5.572 6.744 1.00 0.00 H new ATOM 0 HD3 ARG A 781 8.154 -5.592 8.421 1.00 0.00 H new ATOM 0 HE ARG A 781 8.000 -8.244 7.259 1.00 0.00 H new ATOM 0 HH11 ARG A 781 10.228 -5.833 8.575 1.00 0.00 H new ATOM 0 HH12 ARG A 781 11.422 -7.039 9.067 1.00 0.00 H new ATOM 0 HH21 ARG A 781 9.542 -9.781 7.898 1.00 0.00 H new ATOM 0 HH22 ARG A 781 11.035 -9.261 8.686 1.00 0.00 H new ATOM 658 N MET A 782 4.791 -2.684 4.633 1.00 0.00 N ATOM 659 CA MET A 782 4.475 -1.306 4.280 1.00 0.00 C ATOM 660 C MET A 782 2.969 -1.158 4.123 1.00 0.00 C ATOM 661 O MET A 782 2.379 -0.157 4.528 1.00 0.00 O ATOM 662 CB MET A 782 5.187 -0.909 2.985 1.00 0.00 C ATOM 663 CG MET A 782 6.696 -0.784 3.132 1.00 0.00 C ATOM 664 SD MET A 782 7.598 -1.689 1.859 1.00 0.00 S ATOM 665 CE MET A 782 7.228 -0.699 0.412 1.00 0.00 C ATOM 0 H MET A 782 5.348 -3.182 3.939 1.00 0.00 H new ATOM 0 HA MET A 782 4.821 -0.644 5.074 1.00 0.00 H new ATOM 0 HB2 MET A 782 4.966 -1.650 2.217 1.00 0.00 H new ATOM 0 HB3 MET A 782 4.785 0.042 2.636 1.00 0.00 H new ATOM 0 HG2 MET A 782 6.975 0.269 3.090 1.00 0.00 H new ATOM 0 HG3 MET A 782 6.993 -1.153 4.114 1.00 0.00 H new ATOM 0 HE1 MET A 782 8.092 -0.688 -0.252 1.00 0.00 H new ATOM 0 HE2 MET A 782 6.373 -1.126 -0.112 1.00 0.00 H new ATOM 0 HE3 MET A 782 6.993 0.320 0.719 1.00 0.00 H new ATOM 675 N ILE A 783 2.351 -2.184 3.551 1.00 0.00 N ATOM 676 CA ILE A 783 0.910 -2.199 3.357 1.00 0.00 C ATOM 677 C ILE A 783 0.217 -2.122 4.718 1.00 0.00 C ATOM 678 O ILE A 783 -0.761 -1.391 4.899 1.00 0.00 O ATOM 679 CB ILE A 783 0.483 -3.473 2.579 1.00 0.00 C ATOM 680 CG1 ILE A 783 0.869 -3.344 1.098 1.00 0.00 C ATOM 681 CG2 ILE A 783 -1.005 -3.751 2.720 1.00 0.00 C ATOM 682 CD1 ILE A 783 -0.060 -2.452 0.291 1.00 0.00 C ATOM 0 H ILE A 783 2.829 -3.019 3.213 1.00 0.00 H new ATOM 0 HA ILE A 783 0.611 -1.335 2.763 1.00 0.00 H new ATOM 0 HB ILE A 783 1.014 -4.320 3.014 1.00 0.00 H new ATOM 0 HG12 ILE A 783 1.883 -2.950 1.031 1.00 0.00 H new ATOM 0 HG13 ILE A 783 0.883 -4.337 0.649 1.00 0.00 H new ATOM 0 HG21 ILE A 783 -1.262 -4.651 2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 783 -1.250 -3.896 3.772 1.00 0.00 H new ATOM 0 HG23 ILE A 783 -1.572 -2.906 2.328 1.00 0.00 H new ATOM 0 HD11 ILE A 783 0.281 -2.413 -0.744 1.00 0.00 H new ATOM 0 HD12 ILE A 783 -1.072 -2.855 0.325 1.00 0.00 H new ATOM 0 HD13 ILE A 783 -0.056 -1.447 0.712 1.00 0.00 H new ATOM 694 N GLU A 784 0.766 -2.843 5.692 1.00 0.00 N ATOM 695 CA GLU A 784 0.234 -2.816 7.048 1.00 0.00 C ATOM 696 C GLU A 784 0.281 -1.384 7.557 1.00 0.00 C ATOM 697 O GLU A 784 -0.680 -0.870 8.139 1.00 0.00 O ATOM 698 CB GLU A 784 1.061 -3.726 7.957 1.00 0.00 C ATOM 699 CG GLU A 784 0.312 -4.205 9.186 1.00 0.00 C ATOM 700 CD GLU A 784 0.737 -3.478 10.448 1.00 0.00 C ATOM 701 OE1 GLU A 784 0.511 -2.253 10.531 1.00 0.00 O ATOM 702 OE2 GLU A 784 1.295 -4.134 11.352 1.00 0.00 O ATOM 0 H GLU A 784 1.576 -3.450 5.567 1.00 0.00 H new ATOM 0 HA GLU A 784 -0.795 -3.176 7.050 1.00 0.00 H new ATOM 0 HB2 GLU A 784 1.393 -4.592 7.384 1.00 0.00 H new ATOM 0 HB3 GLU A 784 1.956 -3.191 8.274 1.00 0.00 H new ATOM 0 HG2 GLU A 784 -0.758 -4.064 9.033 1.00 0.00 H new ATOM 0 HG3 GLU A 784 0.478 -5.275 9.314 1.00 0.00 H new ATOM 709 N ALA A 785 1.414 -0.740 7.295 1.00 0.00 N ATOM 710 CA ALA A 785 1.621 0.645 7.677 1.00 0.00 C ATOM 711 C ALA A 785 0.561 1.526 7.029 1.00 0.00 C ATOM 712 O ALA A 785 0.126 2.516 7.610 1.00 0.00 O ATOM 713 CB ALA A 785 3.014 1.105 7.276 1.00 0.00 C ATOM 0 H ALA A 785 2.208 -1.164 6.815 1.00 0.00 H new ATOM 0 HA ALA A 785 1.533 0.728 8.760 1.00 0.00 H new ATOM 0 HB1 ALA A 785 3.152 2.146 7.570 1.00 0.00 H new ATOM 0 HB2 ALA A 785 3.759 0.485 7.774 1.00 0.00 H new ATOM 0 HB3 ALA A 785 3.130 1.015 6.196 1.00 0.00 H new ATOM 719 N MET A 786 0.143 1.152 5.822 1.00 0.00 N ATOM 720 CA MET A 786 -0.878 1.907 5.108 1.00 0.00 C ATOM 721 C MET A 786 -2.210 1.807 5.839 1.00 0.00 C ATOM 722 O MET A 786 -2.966 2.774 5.913 1.00 0.00 O ATOM 723 CB MET A 786 -1.027 1.410 3.671 1.00 0.00 C ATOM 724 CG MET A 786 0.009 1.990 2.730 1.00 0.00 C ATOM 725 SD MET A 786 -0.246 1.509 1.012 1.00 0.00 S ATOM 726 CE MET A 786 1.235 0.552 0.711 1.00 0.00 C ATOM 0 H MET A 786 0.494 0.335 5.322 1.00 0.00 H new ATOM 0 HA MET A 786 -0.566 2.951 5.074 1.00 0.00 H new ATOM 0 HB2 MET A 786 -0.951 0.323 3.659 1.00 0.00 H new ATOM 0 HB3 MET A 786 -2.022 1.664 3.307 1.00 0.00 H new ATOM 0 HG2 MET A 786 -0.011 3.077 2.803 1.00 0.00 H new ATOM 0 HG3 MET A 786 1.000 1.667 3.048 1.00 0.00 H new ATOM 0 HE1 MET A 786 1.119 -0.018 -0.211 1.00 0.00 H new ATOM 0 HE2 MET A 786 2.089 1.223 0.617 1.00 0.00 H new ATOM 0 HE3 MET A 786 1.401 -0.133 1.543 1.00 0.00 H new ATOM 736 N GLU A 787 -2.486 0.630 6.389 1.00 0.00 N ATOM 737 CA GLU A 787 -3.721 0.415 7.133 1.00 0.00 C ATOM 738 C GLU A 787 -3.773 1.322 8.354 1.00 0.00 C ATOM 739 O GLU A 787 -4.735 2.063 8.555 1.00 0.00 O ATOM 740 CB GLU A 787 -3.841 -1.044 7.572 1.00 0.00 C ATOM 741 CG GLU A 787 -4.847 -1.834 6.760 1.00 0.00 C ATOM 742 CD GLU A 787 -5.258 -3.126 7.438 1.00 0.00 C ATOM 743 OE1 GLU A 787 -4.363 -3.882 7.869 1.00 0.00 O ATOM 744 OE2 GLU A 787 -6.477 -3.383 7.537 1.00 0.00 O ATOM 0 H GLU A 787 -1.875 -0.185 6.334 1.00 0.00 H new ATOM 0 HA GLU A 787 -4.556 0.655 6.475 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -2.865 -1.522 7.492 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -4.127 -1.077 8.623 1.00 0.00 H new ATOM 0 HG2 GLU A 787 -5.732 -1.221 6.588 1.00 0.00 H new ATOM 0 HG3 GLU A 787 -4.422 -2.060 5.782 1.00 0.00 H new ATOM 751 N MET A 788 -2.732 1.244 9.169 1.00 0.00 N ATOM 752 CA MET A 788 -2.644 2.046 10.386 1.00 0.00 C ATOM 753 C MET A 788 -2.481 3.529 10.067 1.00 0.00 C ATOM 754 O MET A 788 -3.035 4.389 10.753 1.00 0.00 O ATOM 755 CB MET A 788 -1.467 1.568 11.234 1.00 0.00 C ATOM 756 CG MET A 788 -1.747 0.279 11.985 1.00 0.00 C ATOM 757 SD MET A 788 -0.267 -0.424 12.737 1.00 0.00 S ATOM 758 CE MET A 788 0.286 0.951 13.744 1.00 0.00 C ATOM 0 H MET A 788 -1.932 0.632 9.011 1.00 0.00 H new ATOM 0 HA MET A 788 -3.574 1.921 10.941 1.00 0.00 H new ATOM 0 HB2 MET A 788 -0.600 1.423 10.589 1.00 0.00 H new ATOM 0 HB3 MET A 788 -1.205 2.347 11.950 1.00 0.00 H new ATOM 0 HG2 MET A 788 -2.488 0.469 12.761 1.00 0.00 H new ATOM 0 HG3 MET A 788 -2.182 -0.449 11.300 1.00 0.00 H new ATOM 0 HE1 MET A 788 1.036 0.603 14.454 1.00 0.00 H new ATOM 0 HE2 MET A 788 0.721 1.719 13.104 1.00 0.00 H new ATOM 0 HE3 MET A 788 -0.562 1.368 14.287 1.00 0.00 H new ATOM 768 N ALA A 789 -1.708 3.818 9.031 1.00 0.00 N ATOM 769 CA ALA A 789 -1.447 5.193 8.615 1.00 0.00 C ATOM 770 C ALA A 789 -2.682 5.849 8.008 1.00 0.00 C ATOM 771 O ALA A 789 -2.779 7.074 7.950 1.00 0.00 O ATOM 772 CB ALA A 789 -0.302 5.223 7.613 1.00 0.00 C ATOM 0 H ALA A 789 -1.245 3.113 8.457 1.00 0.00 H new ATOM 0 HA ALA A 789 -1.174 5.760 9.505 1.00 0.00 H new ATOM 0 HB1 ALA A 789 -0.113 6.252 7.307 1.00 0.00 H new ATOM 0 HB2 ALA A 789 0.596 4.811 8.074 1.00 0.00 H new ATOM 0 HB3 ALA A 789 -0.567 4.628 6.739 1.00 0.00 H new ATOM 778 N GLY A 790 -3.616 5.031 7.539 1.00 0.00 N ATOM 779 CA GLY A 790 -4.818 5.561 6.924 1.00 0.00 C ATOM 780 C GLY A 790 -4.646 5.763 5.430 1.00 0.00 C ATOM 781 O GLY A 790 -5.423 6.476 4.797 1.00 0.00 O ATOM 0 H GLY A 790 -3.563 4.013 7.573 1.00 0.00 H new ATOM 0 HA2 GLY A 790 -5.649 4.880 7.105 1.00 0.00 H new ATOM 0 HA3 GLY A 790 -5.077 6.511 7.392 1.00 0.00 H new ATOM 785 N VAL A 791 -3.619 5.128 4.871 1.00 0.00 N ATOM 786 CA VAL A 791 -3.328 5.224 3.449 1.00 0.00 C ATOM 787 C VAL A 791 -4.198 4.266 2.652 1.00 0.00 C ATOM 788 O VAL A 791 -4.572 4.552 1.515 1.00 0.00 O ATOM 789 CB VAL A 791 -1.847 4.923 3.173 1.00 0.00 C ATOM 790 CG1 VAL A 791 -1.520 5.113 1.702 1.00 0.00 C ATOM 791 CG2 VAL A 791 -0.969 5.807 4.042 1.00 0.00 C ATOM 0 H VAL A 791 -2.970 4.536 5.390 1.00 0.00 H new ATOM 0 HA VAL A 791 -3.547 6.245 3.136 1.00 0.00 H new ATOM 0 HB VAL A 791 -1.650 3.881 3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 791 -0.466 4.894 1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 791 -2.132 4.438 1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 791 -1.727 6.143 1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 791 0.080 5.588 3.841 1.00 0.00 H new ATOM 0 HG22 VAL A 791 -1.171 6.854 3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 791 -1.185 5.614 5.093 1.00 0.00 H new ATOM 801 N VAL A 792 -4.537 3.135 3.261 1.00 0.00 N ATOM 802 CA VAL A 792 -5.387 2.154 2.601 1.00 0.00 C ATOM 803 C VAL A 792 -6.459 1.632 3.549 1.00 0.00 C ATOM 804 O VAL A 792 -6.204 1.407 4.732 1.00 0.00 O ATOM 805 CB VAL A 792 -4.575 0.974 2.026 1.00 0.00 C ATOM 806 CG1 VAL A 792 -3.423 1.488 1.183 1.00 0.00 C ATOM 807 CG2 VAL A 792 -4.056 0.056 3.124 1.00 0.00 C ATOM 0 H VAL A 792 -4.239 2.877 4.202 1.00 0.00 H new ATOM 0 HA VAL A 792 -5.868 2.667 1.768 1.00 0.00 H new ATOM 0 HB VAL A 792 -5.246 0.389 1.397 1.00 0.00 H new ATOM 0 HG11 VAL A 792 -2.859 0.645 0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 792 -3.813 2.086 0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 792 -2.768 2.104 1.799 1.00 0.00 H new ATOM 0 HG21 VAL A 792 -3.490 -0.761 2.677 1.00 0.00 H new ATOM 0 HG22 VAL A 792 -3.409 0.621 3.795 1.00 0.00 H new ATOM 0 HG23 VAL A 792 -4.897 -0.350 3.687 1.00 0.00 H new ATOM 817 N THR A 793 -7.658 1.440 3.019 1.00 0.00 N ATOM 818 CA THR A 793 -8.767 0.938 3.817 1.00 0.00 C ATOM 819 C THR A 793 -8.632 -0.571 3.995 1.00 0.00 C ATOM 820 O THR A 793 -7.942 -1.227 3.216 1.00 0.00 O ATOM 821 CB THR A 793 -10.104 1.270 3.150 1.00 0.00 C ATOM 822 OG1 THR A 793 -10.359 0.381 2.079 1.00 0.00 O ATOM 823 CG2 THR A 793 -10.178 2.680 2.602 1.00 0.00 C ATOM 0 H THR A 793 -7.888 1.624 2.042 1.00 0.00 H new ATOM 0 HA THR A 793 -8.741 1.420 4.794 1.00 0.00 H new ATOM 0 HB THR A 793 -10.849 1.171 3.939 1.00 0.00 H new ATOM 0 HG1 THR A 793 -11.324 0.223 2.008 1.00 0.00 H new ATOM 0 HG21 THR A 793 -11.154 2.842 2.145 1.00 0.00 H new ATOM 0 HG22 THR A 793 -10.035 3.394 3.413 1.00 0.00 H new ATOM 0 HG23 THR A 793 -9.399 2.821 1.853 1.00 0.00 H new ATOM 831 N PRO A 794 -9.290 -1.153 5.011 1.00 0.00 N ATOM 832 CA PRO A 794 -9.225 -2.596 5.254 1.00 0.00 C ATOM 833 C PRO A 794 -9.733 -3.395 4.060 1.00 0.00 C ATOM 834 O PRO A 794 -10.344 -2.842 3.146 1.00 0.00 O ATOM 835 CB PRO A 794 -10.134 -2.806 6.470 1.00 0.00 C ATOM 836 CG PRO A 794 -10.991 -1.589 6.528 1.00 0.00 C ATOM 837 CD PRO A 794 -10.146 -0.469 5.993 1.00 0.00 C ATOM 0 HA PRO A 794 -8.203 -2.937 5.418 1.00 0.00 H new ATOM 0 HB2 PRO A 794 -10.737 -3.708 6.361 1.00 0.00 H new ATOM 0 HB3 PRO A 794 -9.550 -2.921 7.383 1.00 0.00 H new ATOM 0 HG2 PRO A 794 -11.894 -1.717 5.931 1.00 0.00 H new ATOM 0 HG3 PRO A 794 -11.311 -1.384 7.550 1.00 0.00 H new ATOM 0 HD2 PRO A 794 -10.752 0.310 5.530 1.00 0.00 H new ATOM 0 HD3 PRO A 794 -9.560 0.008 6.779 1.00 0.00 H new ATOM 845 N MET A 795 -9.475 -4.696 4.073 1.00 0.00 N ATOM 846 CA MET A 795 -9.902 -5.571 2.992 1.00 0.00 C ATOM 847 C MET A 795 -11.418 -5.540 2.829 1.00 0.00 C ATOM 848 O MET A 795 -12.140 -5.093 3.721 1.00 0.00 O ATOM 849 CB MET A 795 -9.434 -6.999 3.262 1.00 0.00 C ATOM 850 CG MET A 795 -7.946 -7.110 3.554 1.00 0.00 C ATOM 851 SD MET A 795 -7.570 -8.391 4.764 1.00 0.00 S ATOM 852 CE MET A 795 -6.047 -9.053 4.092 1.00 0.00 C ATOM 0 H MET A 795 -8.971 -5.169 4.823 1.00 0.00 H new ATOM 0 HA MET A 795 -9.453 -5.214 2.065 1.00 0.00 H new ATOM 0 HB2 MET A 795 -9.992 -7.401 4.108 1.00 0.00 H new ATOM 0 HB3 MET A 795 -9.673 -7.620 2.398 1.00 0.00 H new ATOM 0 HG2 MET A 795 -7.413 -7.323 2.628 1.00 0.00 H new ATOM 0 HG3 MET A 795 -7.579 -6.151 3.920 1.00 0.00 H new ATOM 0 HE1 MET A 795 -5.687 -9.858 4.732 1.00 0.00 H new ATOM 0 HE2 MET A 795 -6.230 -9.440 3.090 1.00 0.00 H new ATOM 0 HE3 MET A 795 -5.297 -8.264 4.045 1.00 0.00 H new ATOM 862 N ASN A 796 -11.892 -6.019 1.684 1.00 0.00 N ATOM 863 CA ASN A 796 -13.322 -6.048 1.401 1.00 0.00 C ATOM 864 C ASN A 796 -13.869 -7.467 1.513 1.00 0.00 C ATOM 865 O ASN A 796 -13.119 -8.416 1.743 1.00 0.00 O ATOM 866 CB ASN A 796 -13.598 -5.492 0.003 1.00 0.00 C ATOM 867 CG ASN A 796 -13.565 -3.984 -0.038 1.00 0.00 C ATOM 868 OD1 ASN A 796 -13.728 -3.316 0.983 1.00 0.00 O ATOM 869 ND2 ASN A 796 -13.353 -3.438 -1.226 1.00 0.00 N ATOM 0 H ASN A 796 -11.307 -6.392 0.937 1.00 0.00 H new ATOM 0 HA ASN A 796 -13.826 -5.424 2.139 1.00 0.00 H new ATOM 0 HB2 ASN A 796 -12.859 -5.887 -0.694 1.00 0.00 H new ATOM 0 HB3 ASN A 796 -14.574 -5.840 -0.336 1.00 0.00 H new ATOM 0 HD21 ASN A 796 -13.319 -2.423 -1.322 1.00 0.00 H new ATOM 0 HD22 ASN A 796 -13.223 -4.032 -2.045 1.00 0.00 H new ATOM 876 N THR A 797 -15.181 -7.606 1.345 1.00 0.00 N ATOM 877 CA THR A 797 -15.828 -8.912 1.426 1.00 0.00 C ATOM 878 C THR A 797 -15.218 -9.882 0.419 1.00 0.00 C ATOM 879 O THR A 797 -15.179 -11.090 0.652 1.00 0.00 O ATOM 880 CB THR A 797 -17.331 -8.776 1.177 1.00 0.00 C ATOM 881 OG1 THR A 797 -17.956 -10.049 1.177 1.00 0.00 O ATOM 882 CG2 THR A 797 -17.663 -8.103 -0.136 1.00 0.00 C ATOM 0 H THR A 797 -15.816 -6.832 1.152 1.00 0.00 H new ATOM 0 HA THR A 797 -15.669 -9.309 2.429 1.00 0.00 H new ATOM 0 HB THR A 797 -17.702 -8.152 1.990 1.00 0.00 H new ATOM 0 HG1 THR A 797 -18.917 -9.942 1.018 1.00 0.00 H new ATOM 0 HG21 THR A 797 -18.745 -8.039 -0.249 1.00 0.00 H new ATOM 0 HG22 THR A 797 -17.237 -7.100 -0.149 1.00 0.00 H new ATOM 0 HG23 THR A 797 -17.246 -8.684 -0.958 1.00 0.00 H new ATOM 890 N ASN A 798 -14.742 -9.345 -0.700 1.00 0.00 N ATOM 891 CA ASN A 798 -14.130 -10.163 -1.740 1.00 0.00 C ATOM 892 C ASN A 798 -12.635 -10.345 -1.486 1.00 0.00 C ATOM 893 O ASN A 798 -12.007 -11.245 -2.045 1.00 0.00 O ATOM 894 CB ASN A 798 -14.356 -9.529 -3.116 1.00 0.00 C ATOM 895 CG ASN A 798 -15.272 -10.352 -3.989 1.00 0.00 C ATOM 896 OD1 ASN A 798 -15.357 -11.572 -3.850 1.00 0.00 O ATOM 897 ND2 ASN A 798 -15.963 -9.683 -4.901 1.00 0.00 N ATOM 0 H ASN A 798 -14.769 -8.347 -0.909 1.00 0.00 H new ATOM 0 HA ASN A 798 -14.602 -11.145 -1.719 1.00 0.00 H new ATOM 0 HB2 ASN A 798 -14.780 -8.533 -2.988 1.00 0.00 H new ATOM 0 HB3 ASN A 798 -13.396 -9.405 -3.617 1.00 0.00 H new ATOM 0 HD21 ASN A 798 -16.598 -10.180 -5.525 1.00 0.00 H new ATOM 0 HD22 ASN A 798 -15.859 -8.671 -4.979 1.00 0.00 H new ATOM 904 N GLY A 799 -12.067 -9.489 -0.640 1.00 0.00 N ATOM 905 CA GLY A 799 -10.652 -9.580 -0.330 1.00 0.00 C ATOM 906 C GLY A 799 -9.824 -8.547 -1.070 1.00 0.00 C ATOM 907 O GLY A 799 -8.699 -8.828 -1.482 1.00 0.00 O ATOM 0 H GLY A 799 -12.562 -8.735 -0.164 1.00 0.00 H new ATOM 0 HA2 GLY A 799 -10.510 -9.452 0.743 1.00 0.00 H new ATOM 0 HA3 GLY A 799 -10.292 -10.577 -0.583 1.00 0.00 H new ATOM 911 N SER A 800 -10.378 -7.350 -1.237 1.00 0.00 N ATOM 912 CA SER A 800 -9.675 -6.277 -1.932 1.00 0.00 C ATOM 913 C SER A 800 -9.649 -5.001 -1.097 1.00 0.00 C ATOM 914 O SER A 800 -10.683 -4.541 -0.613 1.00 0.00 O ATOM 915 CB SER A 800 -10.329 -5.999 -3.285 1.00 0.00 C ATOM 916 OG SER A 800 -10.455 -7.187 -4.049 1.00 0.00 O ATOM 0 H SER A 800 -11.308 -7.099 -0.902 1.00 0.00 H new ATOM 0 HA SER A 800 -8.647 -6.603 -2.092 1.00 0.00 H new ATOM 0 HB2 SER A 800 -11.313 -5.556 -3.132 1.00 0.00 H new ATOM 0 HB3 SER A 800 -9.734 -5.271 -3.836 1.00 0.00 H new ATOM 0 HG SER A 800 -10.878 -6.980 -4.908 1.00 0.00 H new ATOM 922 N ARG A 801 -8.458 -4.435 -0.936 1.00 0.00 N ATOM 923 CA ARG A 801 -8.285 -3.210 -0.165 1.00 0.00 C ATOM 924 C ARG A 801 -8.579 -1.978 -1.011 1.00 0.00 C ATOM 925 O ARG A 801 -8.724 -2.063 -2.231 1.00 0.00 O ATOM 926 CB ARG A 801 -6.856 -3.120 0.371 1.00 0.00 C ATOM 927 CG ARG A 801 -6.681 -3.725 1.750 1.00 0.00 C ATOM 928 CD ARG A 801 -5.276 -4.279 1.937 1.00 0.00 C ATOM 929 NE ARG A 801 -4.341 -3.288 2.465 1.00 0.00 N ATOM 930 CZ ARG A 801 -3.898 -3.274 3.721 1.00 0.00 C ATOM 931 NH1 ARG A 801 -4.374 -4.131 4.616 1.00 0.00 N ATOM 932 NH2 ARG A 801 -2.980 -2.390 4.084 1.00 0.00 N ATOM 0 H ARG A 801 -7.595 -4.807 -1.331 1.00 0.00 H new ATOM 0 HA ARG A 801 -8.990 -3.241 0.666 1.00 0.00 H new ATOM 0 HB2 ARG A 801 -6.185 -3.624 -0.324 1.00 0.00 H new ATOM 0 HB3 ARG A 801 -6.555 -2.073 0.403 1.00 0.00 H new ATOM 0 HG2 ARG A 801 -6.880 -2.969 2.509 1.00 0.00 H new ATOM 0 HG3 ARG A 801 -7.411 -4.522 1.895 1.00 0.00 H new ATOM 0 HD2 ARG A 801 -5.314 -5.132 2.614 1.00 0.00 H new ATOM 0 HD3 ARG A 801 -4.906 -4.647 0.980 1.00 0.00 H new ATOM 0 HE ARG A 801 -4.007 -2.561 1.832 1.00 0.00 H new ATOM 0 HH11 ARG A 801 -5.086 -4.809 4.344 1.00 0.00 H new ATOM 0 HH12 ARG A 801 -4.028 -4.112 5.575 1.00 0.00 H new ATOM 0 HH21 ARG A 801 -2.616 -1.724 3.403 1.00 0.00 H new ATOM 0 HH22 ARG A 801 -2.638 -2.375 5.045 1.00 0.00 H new ATOM 946 N GLU A 802 -8.643 -0.831 -0.349 1.00 0.00 N ATOM 947 CA GLU A 802 -8.892 0.437 -1.019 1.00 0.00 C ATOM 948 C GLU A 802 -7.928 1.494 -0.493 1.00 0.00 C ATOM 949 O GLU A 802 -7.164 1.235 0.436 1.00 0.00 O ATOM 950 CB GLU A 802 -10.341 0.880 -0.809 1.00 0.00 C ATOM 951 CG GLU A 802 -11.220 0.682 -2.033 1.00 0.00 C ATOM 952 CD GLU A 802 -12.699 0.718 -1.699 1.00 0.00 C ATOM 953 OE1 GLU A 802 -13.188 1.789 -1.287 1.00 0.00 O ATOM 954 OE2 GLU A 802 -13.367 -0.327 -1.849 1.00 0.00 O ATOM 0 H GLU A 802 -8.525 -0.753 0.661 1.00 0.00 H new ATOM 0 HA GLU A 802 -8.729 0.310 -2.089 1.00 0.00 H new ATOM 0 HB2 GLU A 802 -10.765 0.323 0.027 1.00 0.00 H new ATOM 0 HB3 GLU A 802 -10.353 1.933 -0.529 1.00 0.00 H new ATOM 0 HG2 GLU A 802 -10.997 1.458 -2.765 1.00 0.00 H new ATOM 0 HG3 GLU A 802 -10.979 -0.274 -2.498 1.00 0.00 H new ATOM 961 N VAL A 803 -7.950 2.678 -1.092 1.00 0.00 N ATOM 962 CA VAL A 803 -7.056 3.748 -0.667 1.00 0.00 C ATOM 963 C VAL A 803 -7.803 4.876 0.032 1.00 0.00 C ATOM 964 O VAL A 803 -8.856 5.320 -0.426 1.00 0.00 O ATOM 965 CB VAL A 803 -6.273 4.338 -1.853 1.00 0.00 C ATOM 966 CG1 VAL A 803 -5.202 5.297 -1.353 1.00 0.00 C ATOM 967 CG2 VAL A 803 -5.663 3.229 -2.698 1.00 0.00 C ATOM 0 H VAL A 803 -8.570 2.920 -1.865 1.00 0.00 H new ATOM 0 HA VAL A 803 -6.361 3.292 0.038 1.00 0.00 H new ATOM 0 HB VAL A 803 -6.964 4.897 -2.484 1.00 0.00 H new ATOM 0 HG11 VAL A 803 -4.656 5.707 -2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 803 -5.671 6.109 -0.797 1.00 0.00 H new ATOM 0 HG13 VAL A 803 -4.511 4.763 -0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 803 -5.114 3.667 -3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 803 -4.982 2.637 -2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 803 -6.455 2.587 -3.083 1.00 0.00 H new ATOM 977 N ILE A 804 -7.231 5.347 1.135 1.00 0.00 N ATOM 978 CA ILE A 804 -7.817 6.442 1.899 1.00 0.00 C ATOM 979 C ILE A 804 -6.969 7.701 1.753 1.00 0.00 C ATOM 980 O ILE A 804 -7.472 8.819 1.871 1.00 0.00 O ATOM 981 CB ILE A 804 -7.955 6.105 3.404 1.00 0.00 C ATOM 982 CG1 ILE A 804 -7.283 4.770 3.739 1.00 0.00 C ATOM 983 CG2 ILE A 804 -9.421 6.085 3.803 1.00 0.00 C ATOM 984 CD1 ILE A 804 -7.442 4.355 5.186 1.00 0.00 C ATOM 0 H ILE A 804 -6.359 4.986 1.521 1.00 0.00 H new ATOM 0 HA ILE A 804 -8.816 6.606 1.494 1.00 0.00 H new ATOM 0 HB ILE A 804 -7.446 6.882 3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 804 -7.701 3.993 3.099 1.00 0.00 H new ATOM 0 HG13 ILE A 804 -6.221 4.839 3.505 1.00 0.00 H new ATOM 0 HG21 ILE A 804 -9.506 5.847 4.863 1.00 0.00 H new ATOM 0 HG22 ILE A 804 -9.863 7.063 3.614 1.00 0.00 H new ATOM 0 HG23 ILE A 804 -9.947 5.330 3.218 1.00 0.00 H new ATOM 0 HD11 ILE A 804 -6.941 3.401 5.348 1.00 0.00 H new ATOM 0 HD12 ILE A 804 -6.999 5.112 5.833 1.00 0.00 H new ATOM 0 HD13 ILE A 804 -8.501 4.253 5.421 1.00 0.00 H new ATOM 996 N ALA A 805 -5.678 7.509 1.497 1.00 0.00 N ATOM 997 CA ALA A 805 -4.758 8.622 1.334 1.00 0.00 C ATOM 998 C ALA A 805 -4.930 9.280 -0.034 1.00 0.00 C ATOM 999 O ALA A 805 -4.808 8.619 -1.065 1.00 0.00 O ATOM 1000 CB ALA A 805 -3.323 8.145 1.514 1.00 0.00 C ATOM 0 H ALA A 805 -5.248 6.589 1.398 1.00 0.00 H new ATOM 0 HA ALA A 805 -4.984 9.366 2.098 1.00 0.00 H new ATOM 0 HB1 ALA A 805 -2.642 8.987 1.390 1.00 0.00 H new ATOM 0 HB2 ALA A 805 -3.202 7.724 2.512 1.00 0.00 H new ATOM 0 HB3 ALA A 805 -3.097 7.382 0.769 1.00 0.00 H new ATOM 1006 N PRO A 806 -5.223 10.593 -0.065 1.00 0.00 N ATOM 1007 CA PRO A 806 -5.417 11.330 -1.318 1.00 0.00 C ATOM 1008 C PRO A 806 -4.289 11.112 -2.313 1.00 0.00 C ATOM 1009 O PRO A 806 -3.210 10.636 -1.961 1.00 0.00 O ATOM 1010 CB PRO A 806 -5.447 12.788 -0.868 1.00 0.00 C ATOM 1011 CG PRO A 806 -5.972 12.725 0.517 1.00 0.00 C ATOM 1012 CD PRO A 806 -5.400 11.466 1.112 1.00 0.00 C ATOM 0 HA PRO A 806 -6.317 11.004 -1.839 1.00 0.00 H new ATOM 0 HB2 PRO A 806 -4.454 13.236 -0.898 1.00 0.00 H new ATOM 0 HB3 PRO A 806 -6.088 13.391 -1.511 1.00 0.00 H new ATOM 0 HG2 PRO A 806 -5.670 13.601 1.090 1.00 0.00 H new ATOM 0 HG3 PRO A 806 -7.062 12.701 0.522 1.00 0.00 H new ATOM 0 HD2 PRO A 806 -4.455 11.654 1.621 1.00 0.00 H new ATOM 0 HD3 PRO A 806 -6.074 11.023 1.845 1.00 0.00 H new ATOM 1020 N ALA A 807 -4.556 11.469 -3.559 1.00 0.00 N ATOM 1021 CA ALA A 807 -3.576 11.322 -4.628 1.00 0.00 C ATOM 1022 C ALA A 807 -3.007 12.676 -5.043 1.00 0.00 C ATOM 1023 O ALA A 807 -3.605 13.718 -4.770 1.00 0.00 O ATOM 1024 CB ALA A 807 -4.202 10.621 -5.825 1.00 0.00 C ATOM 0 H ALA A 807 -5.447 11.865 -3.858 1.00 0.00 H new ATOM 0 HA ALA A 807 -2.754 10.712 -4.252 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -3.459 10.518 -6.616 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -4.553 9.633 -5.526 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -5.043 11.209 -6.192 1.00 0.00 H new