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 165:sc= -0.21 USER MOD Single : A 758 THR OG1 : rot -96:sc= -0.309 USER MOD Single : A 760 SER OG : rot 172:sc= -1.44 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= -0.487 F(o=-2,f=-0.49) 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= -0.0504 X(o=-0.05,f=-0.41) USER MOD Single : A 782 MET CE :methyl 174:sc= -3.47! (180deg=-3.65!) USER MOD Single : A 786 MET CE :methyl 170:sc= -5.72! (180deg=-6.12!) USER MOD Single : A 788 MET CE :methyl -171:sc= 0 (180deg=-0.0886) USER MOD Single : A 793 THR OG1 : rot 160:sc= -1.39 USER MOD Single : A 795 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 796 ASN : amide:sc= -0.384 K(o=-0.38,f=-1.5!) USER MOD Single : A 797 THR OG1 : rot 180:sc= 0 USER MOD Single : A 798 ASN : amide:sc= -0.221 K(o=-0.22,f=-1.5!) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLY A 743 8.395 -1.030 7.344 1.00 0.00 N ATOM 37 CA GLY A 743 7.193 -0.427 6.800 1.00 0.00 C ATOM 38 C GLY A 743 6.295 0.148 7.878 1.00 0.00 C ATOM 39 O GLY A 743 5.365 -0.514 8.339 1.00 0.00 O ATOM 0 HA2 GLY A 743 7.470 0.363 6.102 1.00 0.00 H new ATOM 0 HA3 GLY A 743 6.640 -1.175 6.231 1.00 0.00 H new ATOM 43 N SER A 744 6.575 1.384 8.282 1.00 0.00 N ATOM 44 CA SER A 744 5.785 2.049 9.314 1.00 0.00 C ATOM 45 C SER A 744 5.131 3.309 8.761 1.00 0.00 C ATOM 46 O SER A 744 3.928 3.337 8.502 1.00 0.00 O ATOM 47 CB SER A 744 6.663 2.395 10.520 1.00 0.00 C ATOM 48 OG SER A 744 7.955 1.830 10.392 1.00 0.00 O ATOM 0 H SER A 744 7.342 1.945 7.911 1.00 0.00 H new ATOM 0 HA SER A 744 5.000 1.365 9.637 1.00 0.00 H new ATOM 0 HB2 SER A 744 6.745 3.478 10.615 1.00 0.00 H new ATOM 0 HB3 SER A 744 6.192 2.030 11.433 1.00 0.00 H new ATOM 0 HG SER A 744 8.495 2.068 11.174 1.00 0.00 H new ATOM 54 N GLU A 745 5.937 4.344 8.574 1.00 0.00 N ATOM 55 CA GLU A 745 5.448 5.608 8.040 1.00 0.00 C ATOM 56 C GLU A 745 6.378 6.124 6.953 1.00 0.00 C ATOM 57 O GLU A 745 5.936 6.501 5.868 1.00 0.00 O ATOM 58 CB GLU A 745 5.315 6.649 9.152 1.00 0.00 C ATOM 59 CG GLU A 745 4.554 7.894 8.724 1.00 0.00 C ATOM 60 CD GLU A 745 3.455 8.271 9.698 1.00 0.00 C ATOM 61 OE1 GLU A 745 3.737 9.037 10.643 1.00 0.00 O ATOM 62 OE2 GLU A 745 2.313 7.799 9.515 1.00 0.00 O ATOM 0 H GLU A 745 6.935 4.334 8.785 1.00 0.00 H new ATOM 0 HA GLU A 745 4.463 5.434 7.606 1.00 0.00 H new ATOM 0 HB2 GLU A 745 4.808 6.197 10.004 1.00 0.00 H new ATOM 0 HB3 GLU A 745 6.310 6.938 9.490 1.00 0.00 H new ATOM 0 HG2 GLU A 745 5.251 8.726 8.629 1.00 0.00 H new ATOM 0 HG3 GLU A 745 4.119 7.728 7.738 1.00 0.00 H new ATOM 69 N ASP A 746 7.672 6.128 7.249 1.00 0.00 N ATOM 70 CA ASP A 746 8.669 6.587 6.291 1.00 0.00 C ATOM 71 C ASP A 746 9.734 5.519 6.066 1.00 0.00 C ATOM 72 O ASP A 746 10.705 5.422 6.817 1.00 0.00 O ATOM 73 CB ASP A 746 9.322 7.880 6.783 1.00 0.00 C ATOM 74 CG ASP A 746 8.482 9.105 6.476 1.00 0.00 C ATOM 75 OD1 ASP A 746 7.664 9.043 5.535 1.00 0.00 O ATOM 76 OD2 ASP A 746 8.644 10.126 7.178 1.00 0.00 O ATOM 0 H ASP A 746 8.055 5.819 8.143 1.00 0.00 H new ATOM 0 HA ASP A 746 8.167 6.781 5.343 1.00 0.00 H new ATOM 0 HB2 ASP A 746 9.485 7.815 7.859 1.00 0.00 H new ATOM 0 HB3 ASP A 746 10.302 7.989 6.318 1.00 0.00 H new ATOM 81 N ASP A 747 9.544 4.728 5.018 1.00 0.00 N ATOM 82 CA ASP A 747 10.482 3.669 4.666 1.00 0.00 C ATOM 83 C ASP A 747 11.000 3.869 3.245 1.00 0.00 C ATOM 84 O ASP A 747 10.246 4.275 2.360 1.00 0.00 O ATOM 85 CB ASP A 747 9.809 2.299 4.790 1.00 0.00 C ATOM 86 CG ASP A 747 10.779 1.153 4.590 1.00 0.00 C ATOM 87 OD1 ASP A 747 11.266 0.980 3.452 1.00 0.00 O ATOM 88 OD2 ASP A 747 11.050 0.427 5.569 1.00 0.00 O ATOM 0 H ASP A 747 8.742 4.801 4.392 1.00 0.00 H new ATOM 0 HA ASP A 747 11.325 3.711 5.356 1.00 0.00 H new ATOM 0 HB2 ASP A 747 9.348 2.212 5.774 1.00 0.00 H new ATOM 0 HB3 ASP A 747 9.008 2.224 4.055 1.00 0.00 H new ATOM 93 N PRO A 748 12.294 3.585 3.003 1.00 0.00 N ATOM 94 CA PRO A 748 12.913 3.734 1.684 1.00 0.00 C ATOM 95 C PRO A 748 11.986 3.370 0.526 1.00 0.00 C ATOM 96 O PRO A 748 12.126 3.904 -0.575 1.00 0.00 O ATOM 97 CB PRO A 748 14.081 2.758 1.761 1.00 0.00 C ATOM 98 CG PRO A 748 14.510 2.811 3.188 1.00 0.00 C ATOM 99 CD PRO A 748 13.268 3.094 4.001 1.00 0.00 C ATOM 0 HA PRO A 748 13.191 4.768 1.481 1.00 0.00 H new ATOM 0 HB2 PRO A 748 13.778 1.751 1.474 1.00 0.00 H new ATOM 0 HB3 PRO A 748 14.889 3.051 1.091 1.00 0.00 H new ATOM 0 HG2 PRO A 748 14.965 1.868 3.491 1.00 0.00 H new ATOM 0 HG3 PRO A 748 15.258 3.589 3.339 1.00 0.00 H new ATOM 0 HD2 PRO A 748 12.907 2.197 4.504 1.00 0.00 H new ATOM 0 HD3 PRO A 748 13.458 3.839 4.774 1.00 0.00 H new ATOM 107 N LEU A 749 11.051 2.455 0.763 1.00 0.00 N ATOM 108 CA LEU A 749 10.132 2.036 -0.289 1.00 0.00 C ATOM 109 C LEU A 749 8.670 2.304 0.067 1.00 0.00 C ATOM 110 O LEU A 749 7.811 2.317 -0.816 1.00 0.00 O ATOM 111 CB LEU A 749 10.327 0.546 -0.573 1.00 0.00 C ATOM 112 CG LEU A 749 11.686 0.176 -1.171 1.00 0.00 C ATOM 113 CD1 LEU A 749 11.937 -1.318 -1.047 1.00 0.00 C ATOM 114 CD2 LEU A 749 11.763 0.617 -2.627 1.00 0.00 C ATOM 0 H LEU A 749 10.911 1.995 1.662 1.00 0.00 H new ATOM 0 HA LEU A 749 10.362 2.626 -1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 749 10.193 -0.007 0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 749 9.544 0.216 -1.256 1.00 0.00 H new ATOM 0 HG LEU A 749 12.463 0.698 -0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 749 12.908 -1.561 -1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 749 11.925 -1.603 0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 749 11.157 -1.863 -1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 749 12.736 0.347 -3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 749 10.977 0.123 -3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 749 11.631 1.697 -2.687 1.00 0.00 H new ATOM 126 N TYR A 750 8.377 2.528 1.347 1.00 0.00 N ATOM 127 CA TYR A 750 6.997 2.787 1.760 1.00 0.00 C ATOM 128 C TYR A 750 6.420 3.960 0.993 1.00 0.00 C ATOM 129 O TYR A 750 5.315 3.881 0.475 1.00 0.00 O ATOM 130 CB TYR A 750 6.899 3.045 3.260 1.00 0.00 C ATOM 131 CG TYR A 750 5.502 3.398 3.722 1.00 0.00 C ATOM 132 CD1 TYR A 750 4.609 2.408 4.108 1.00 0.00 C ATOM 133 CD2 TYR A 750 5.081 4.720 3.788 1.00 0.00 C ATOM 134 CE1 TYR A 750 3.339 2.718 4.540 1.00 0.00 C ATOM 135 CE2 TYR A 750 3.812 5.042 4.227 1.00 0.00 C ATOM 136 CZ TYR A 750 2.944 4.036 4.601 1.00 0.00 C ATOM 137 OH TYR A 750 1.678 4.351 5.038 1.00 0.00 O ATOM 0 H TYR A 750 9.061 2.536 2.104 1.00 0.00 H new ATOM 0 HA TYR A 750 6.416 1.893 1.532 1.00 0.00 H new ATOM 0 HB2 TYR A 750 7.237 2.158 3.796 1.00 0.00 H new ATOM 0 HB3 TYR A 750 7.577 3.856 3.526 1.00 0.00 H new ATOM 0 HD1 TYR A 750 4.917 1.373 4.069 1.00 0.00 H new ATOM 0 HD2 TYR A 750 5.757 5.508 3.491 1.00 0.00 H new ATOM 0 HE1 TYR A 750 2.657 1.932 4.829 1.00 0.00 H new ATOM 0 HE2 TYR A 750 3.500 6.075 4.277 1.00 0.00 H new ATOM 0 HH TYR A 750 1.634 5.307 5.251 1.00 0.00 H new ATOM 147 N ASP A 751 7.176 5.042 0.907 1.00 0.00 N ATOM 148 CA ASP A 751 6.719 6.213 0.176 1.00 0.00 C ATOM 149 C ASP A 751 6.308 5.802 -1.233 1.00 0.00 C ATOM 150 O ASP A 751 5.336 6.318 -1.787 1.00 0.00 O ATOM 151 CB ASP A 751 7.820 7.273 0.118 1.00 0.00 C ATOM 152 CG ASP A 751 9.132 6.717 -0.400 1.00 0.00 C ATOM 153 OD1 ASP A 751 9.199 6.375 -1.600 1.00 0.00 O ATOM 154 OD2 ASP A 751 10.091 6.620 0.394 1.00 0.00 O ATOM 0 H ASP A 751 8.100 5.135 1.329 1.00 0.00 H new ATOM 0 HA ASP A 751 5.860 6.642 0.692 1.00 0.00 H new ATOM 0 HB2 ASP A 751 7.498 8.093 -0.524 1.00 0.00 H new ATOM 0 HB3 ASP A 751 7.973 7.689 1.114 1.00 0.00 H new ATOM 159 N GLU A 752 7.041 4.842 -1.794 1.00 0.00 N ATOM 160 CA GLU A 752 6.740 4.336 -3.123 1.00 0.00 C ATOM 161 C GLU A 752 5.462 3.509 -3.092 1.00 0.00 C ATOM 162 O GLU A 752 4.592 3.659 -3.943 1.00 0.00 O ATOM 163 CB GLU A 752 7.900 3.497 -3.655 1.00 0.00 C ATOM 164 CG GLU A 752 8.338 3.887 -5.054 1.00 0.00 C ATOM 165 CD GLU A 752 9.454 4.914 -5.053 1.00 0.00 C ATOM 166 OE1 GLU A 752 9.358 5.895 -4.285 1.00 0.00 O ATOM 167 OE2 GLU A 752 10.425 4.737 -5.819 1.00 0.00 O ATOM 0 H GLU A 752 7.845 4.402 -1.346 1.00 0.00 H new ATOM 0 HA GLU A 752 6.595 5.185 -3.791 1.00 0.00 H new ATOM 0 HB2 GLU A 752 8.748 3.593 -2.977 1.00 0.00 H new ATOM 0 HB3 GLU A 752 7.609 2.447 -3.654 1.00 0.00 H new ATOM 0 HG2 GLU A 752 8.670 2.996 -5.588 1.00 0.00 H new ATOM 0 HG3 GLU A 752 7.483 4.286 -5.600 1.00 0.00 H new ATOM 174 N ALA A 753 5.362 2.639 -2.092 1.00 0.00 N ATOM 175 CA ALA A 753 4.190 1.786 -1.927 1.00 0.00 C ATOM 176 C ALA A 753 2.936 2.636 -1.767 1.00 0.00 C ATOM 177 O ALA A 753 1.957 2.463 -2.489 1.00 0.00 O ATOM 178 CB ALA A 753 4.364 0.869 -0.725 1.00 0.00 C ATOM 0 H ALA A 753 6.081 2.506 -1.381 1.00 0.00 H new ATOM 0 HA ALA A 753 4.082 1.169 -2.819 1.00 0.00 H new ATOM 0 HB1 ALA A 753 3.481 0.240 -0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 753 5.242 0.240 -0.871 1.00 0.00 H new ATOM 0 HB3 ALA A 753 4.494 1.470 0.175 1.00 0.00 H new ATOM 184 N VAL A 754 2.987 3.566 -0.820 1.00 0.00 N ATOM 185 CA VAL A 754 1.876 4.465 -0.558 1.00 0.00 C ATOM 186 C VAL A 754 1.501 5.214 -1.832 1.00 0.00 C ATOM 187 O VAL A 754 0.322 5.359 -2.155 1.00 0.00 O ATOM 188 CB VAL A 754 2.242 5.458 0.571 1.00 0.00 C ATOM 189 CG1 VAL A 754 1.480 6.768 0.447 1.00 0.00 C ATOM 190 CG2 VAL A 754 1.988 4.823 1.926 1.00 0.00 C ATOM 0 H VAL A 754 3.796 3.715 -0.217 1.00 0.00 H new ATOM 0 HA VAL A 754 1.016 3.880 -0.232 1.00 0.00 H new ATOM 0 HB VAL A 754 3.303 5.691 0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 754 1.768 7.435 1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 754 1.716 7.237 -0.508 1.00 0.00 H new ATOM 0 HG13 VAL A 754 0.409 6.572 0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 754 2.249 5.530 2.714 1.00 0.00 H new ATOM 0 HG22 VAL A 754 0.934 4.557 2.011 1.00 0.00 H new ATOM 0 HG23 VAL A 754 2.598 3.926 2.027 1.00 0.00 H new ATOM 200 N ARG A 755 2.514 5.662 -2.568 1.00 0.00 N ATOM 201 CA ARG A 755 2.289 6.364 -3.822 1.00 0.00 C ATOM 202 C ARG A 755 1.689 5.407 -4.846 1.00 0.00 C ATOM 203 O ARG A 755 0.857 5.790 -5.670 1.00 0.00 O ATOM 204 CB ARG A 755 3.605 6.936 -4.352 1.00 0.00 C ATOM 205 CG ARG A 755 4.056 8.198 -3.636 1.00 0.00 C ATOM 206 CD ARG A 755 5.479 8.574 -4.012 1.00 0.00 C ATOM 207 NE ARG A 755 5.667 10.022 -4.066 1.00 0.00 N ATOM 208 CZ ARG A 755 6.818 10.609 -4.385 1.00 0.00 C ATOM 209 NH1 ARG A 755 7.885 9.876 -4.679 1.00 0.00 N ATOM 210 NH2 ARG A 755 6.904 11.932 -4.412 1.00 0.00 N ATOM 0 H ARG A 755 3.496 5.550 -2.316 1.00 0.00 H new ATOM 0 HA ARG A 755 1.595 7.186 -3.648 1.00 0.00 H new ATOM 0 HB2 ARG A 755 4.383 6.179 -4.259 1.00 0.00 H new ATOM 0 HB3 ARG A 755 3.495 7.152 -5.415 1.00 0.00 H new ATOM 0 HG2 ARG A 755 3.384 9.019 -3.886 1.00 0.00 H new ATOM 0 HG3 ARG A 755 3.991 8.049 -2.558 1.00 0.00 H new ATOM 0 HD2 ARG A 755 6.171 8.146 -3.287 1.00 0.00 H new ATOM 0 HD3 ARG A 755 5.724 8.140 -4.981 1.00 0.00 H new ATOM 0 HE ARG A 755 4.869 10.618 -3.846 1.00 0.00 H new ATOM 0 HH11 ARG A 755 7.825 8.858 -4.661 1.00 0.00 H new ATOM 0 HH12 ARG A 755 8.765 10.331 -4.923 1.00 0.00 H new ATOM 0 HH21 ARG A 755 6.087 12.501 -4.188 1.00 0.00 H new ATOM 0 HH22 ARG A 755 7.787 12.381 -4.657 1.00 0.00 H new ATOM 224 N PHE A 756 2.130 4.156 -4.776 1.00 0.00 N ATOM 225 CA PHE A 756 1.666 3.111 -5.677 1.00 0.00 C ATOM 226 C PHE A 756 0.190 2.799 -5.436 1.00 0.00 C ATOM 227 O PHE A 756 -0.593 2.691 -6.379 1.00 0.00 O ATOM 228 CB PHE A 756 2.520 1.849 -5.480 1.00 0.00 C ATOM 229 CG PHE A 756 1.827 0.569 -5.845 1.00 0.00 C ATOM 230 CD1 PHE A 756 1.854 0.093 -7.146 1.00 0.00 C ATOM 231 CD2 PHE A 756 1.150 -0.157 -4.882 1.00 0.00 C ATOM 232 CE1 PHE A 756 1.215 -1.086 -7.476 1.00 0.00 C ATOM 233 CE2 PHE A 756 0.510 -1.334 -5.207 1.00 0.00 C ATOM 234 CZ PHE A 756 0.542 -1.799 -6.506 1.00 0.00 C ATOM 0 H PHE A 756 2.819 3.839 -4.093 1.00 0.00 H new ATOM 0 HA PHE A 756 1.770 3.460 -6.704 1.00 0.00 H new ATOM 0 HB2 PHE A 756 3.426 1.941 -6.079 1.00 0.00 H new ATOM 0 HB3 PHE A 756 2.831 1.795 -4.437 1.00 0.00 H new ATOM 0 HD1 PHE A 756 2.379 0.649 -7.909 1.00 0.00 H new ATOM 0 HD2 PHE A 756 1.122 0.202 -3.864 1.00 0.00 H new ATOM 0 HE1 PHE A 756 1.242 -1.449 -8.493 1.00 0.00 H new ATOM 0 HE2 PHE A 756 -0.016 -1.891 -4.446 1.00 0.00 H new ATOM 0 HZ PHE A 756 0.040 -2.720 -6.763 1.00 0.00 H new ATOM 244 N VAL A 757 -0.184 2.654 -4.167 1.00 0.00 N ATOM 245 CA VAL A 757 -1.562 2.355 -3.812 1.00 0.00 C ATOM 246 C VAL A 757 -2.465 3.554 -4.072 1.00 0.00 C ATOM 247 O VAL A 757 -3.557 3.414 -4.619 1.00 0.00 O ATOM 248 CB VAL A 757 -1.686 1.939 -2.335 1.00 0.00 C ATOM 249 CG1 VAL A 757 -3.112 1.521 -2.016 1.00 0.00 C ATOM 250 CG2 VAL A 757 -0.709 0.819 -2.012 1.00 0.00 C ATOM 0 H VAL A 757 0.449 2.739 -3.372 1.00 0.00 H new ATOM 0 HA VAL A 757 -1.878 1.522 -4.440 1.00 0.00 H new ATOM 0 HB VAL A 757 -1.436 2.798 -1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 757 -3.180 1.230 -0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 757 -3.787 2.356 -2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 757 -3.393 0.677 -2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 757 -0.811 0.538 -0.964 1.00 0.00 H new ATOM 0 HG22 VAL A 757 -0.924 -0.044 -2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 757 0.309 1.159 -2.199 1.00 0.00 H new ATOM 260 N THR A 758 -1.997 4.734 -3.680 1.00 0.00 N ATOM 261 CA THR A 758 -2.761 5.958 -3.875 1.00 0.00 C ATOM 262 C THR A 758 -3.092 6.166 -5.352 1.00 0.00 C ATOM 263 O THR A 758 -4.211 6.543 -5.700 1.00 0.00 O ATOM 264 CB THR A 758 -1.976 7.157 -3.345 1.00 0.00 C ATOM 265 OG1 THR A 758 -0.609 7.055 -3.695 1.00 0.00 O ATOM 266 CG2 THR A 758 -2.056 7.308 -1.842 1.00 0.00 C ATOM 0 H THR A 758 -1.093 4.867 -3.226 1.00 0.00 H new ATOM 0 HA THR A 758 -3.696 5.867 -3.322 1.00 0.00 H new ATOM 0 HB THR A 758 -2.437 8.031 -3.806 1.00 0.00 H new ATOM 0 HG1 THR A 758 -0.109 6.660 -2.950 1.00 0.00 H new ATOM 0 HG21 THR A 758 -1.477 8.178 -1.532 1.00 0.00 H new ATOM 0 HG22 THR A 758 -3.096 7.440 -1.544 1.00 0.00 H new ATOM 0 HG23 THR A 758 -1.652 6.415 -1.365 1.00 0.00 H new ATOM 274 N GLU A 759 -2.110 5.919 -6.214 1.00 0.00 N ATOM 275 CA GLU A 759 -2.296 6.080 -7.652 1.00 0.00 C ATOM 276 C GLU A 759 -3.044 4.891 -8.250 1.00 0.00 C ATOM 277 O GLU A 759 -3.910 5.059 -9.109 1.00 0.00 O ATOM 278 CB GLU A 759 -0.941 6.247 -8.345 1.00 0.00 C ATOM 279 CG GLU A 759 -0.915 7.373 -9.366 1.00 0.00 C ATOM 280 CD GLU A 759 -0.966 6.866 -10.794 1.00 0.00 C ATOM 281 OE1 GLU A 759 0.054 6.323 -11.269 1.00 0.00 O ATOM 282 OE2 GLU A 759 -2.027 7.009 -11.437 1.00 0.00 O ATOM 0 H GLU A 759 -1.178 5.607 -5.942 1.00 0.00 H new ATOM 0 HA GLU A 759 -2.896 6.976 -7.814 1.00 0.00 H new ATOM 0 HB2 GLU A 759 -0.177 6.434 -7.590 1.00 0.00 H new ATOM 0 HB3 GLU A 759 -0.678 5.312 -8.840 1.00 0.00 H new ATOM 0 HG2 GLU A 759 -1.761 8.038 -9.190 1.00 0.00 H new ATOM 0 HG3 GLU A 759 -0.010 7.964 -9.226 1.00 0.00 H new ATOM 289 N SER A 760 -2.703 3.690 -7.793 1.00 0.00 N ATOM 290 CA SER A 760 -3.341 2.472 -8.285 1.00 0.00 C ATOM 291 C SER A 760 -4.760 2.329 -7.735 1.00 0.00 C ATOM 292 O SER A 760 -5.571 1.578 -8.278 1.00 0.00 O ATOM 293 CB SER A 760 -2.507 1.247 -7.905 1.00 0.00 C ATOM 294 OG SER A 760 -2.740 0.865 -6.559 1.00 0.00 O ATOM 0 H SER A 760 -1.988 3.533 -7.082 1.00 0.00 H new ATOM 0 HA SER A 760 -3.403 2.541 -9.371 1.00 0.00 H new ATOM 0 HB2 SER A 760 -2.751 0.418 -8.569 1.00 0.00 H new ATOM 0 HB3 SER A 760 -1.449 1.467 -8.045 1.00 0.00 H new ATOM 0 HG SER A 760 -2.297 0.009 -6.381 1.00 0.00 H new ATOM 300 N ARG A 761 -5.052 3.050 -6.656 1.00 0.00 N ATOM 301 CA ARG A 761 -6.371 3.004 -6.033 1.00 0.00 C ATOM 302 C ARG A 761 -6.680 1.608 -5.498 1.00 0.00 C ATOM 303 O ARG A 761 -7.841 1.207 -5.420 1.00 0.00 O ATOM 304 CB ARG A 761 -7.449 3.431 -7.032 1.00 0.00 C ATOM 305 CG ARG A 761 -7.365 4.896 -7.428 1.00 0.00 C ATOM 306 CD ARG A 761 -7.970 5.796 -6.364 1.00 0.00 C ATOM 307 NE ARG A 761 -9.429 5.735 -6.360 1.00 0.00 N ATOM 308 CZ ARG A 761 -10.207 6.619 -5.738 1.00 0.00 C ATOM 309 NH1 ARG A 761 -9.670 7.631 -5.070 1.00 0.00 N ATOM 310 NH2 ARG A 761 -11.526 6.489 -5.784 1.00 0.00 N ATOM 0 H ARG A 761 -4.391 3.675 -6.194 1.00 0.00 H new ATOM 0 HA ARG A 761 -6.368 3.699 -5.194 1.00 0.00 H new ATOM 0 HB2 ARG A 761 -7.367 2.816 -7.928 1.00 0.00 H new ATOM 0 HB3 ARG A 761 -8.431 3.236 -6.600 1.00 0.00 H new ATOM 0 HG2 ARG A 761 -6.323 5.171 -7.589 1.00 0.00 H new ATOM 0 HG3 ARG A 761 -7.885 5.049 -8.374 1.00 0.00 H new ATOM 0 HD2 ARG A 761 -7.592 5.503 -5.384 1.00 0.00 H new ATOM 0 HD3 ARG A 761 -7.651 6.824 -6.535 1.00 0.00 H new ATOM 0 HE ARG A 761 -9.879 4.970 -6.863 1.00 0.00 H new ATOM 0 HH11 ARG A 761 -8.656 7.735 -5.031 1.00 0.00 H new ATOM 0 HH12 ARG A 761 -10.271 8.305 -4.596 1.00 0.00 H new ATOM 0 HH21 ARG A 761 -11.944 5.712 -6.296 1.00 0.00 H new ATOM 0 HH22 ARG A 761 -12.122 7.166 -5.308 1.00 0.00 H new ATOM 324 N ARG A 762 -5.636 0.874 -5.127 1.00 0.00 N ATOM 325 CA ARG A 762 -5.798 -0.475 -4.598 1.00 0.00 C ATOM 326 C ARG A 762 -4.590 -0.879 -3.758 1.00 0.00 C ATOM 327 O ARG A 762 -3.446 -0.720 -4.186 1.00 0.00 O ATOM 328 CB ARG A 762 -6.003 -1.469 -5.743 1.00 0.00 C ATOM 329 CG ARG A 762 -4.739 -1.762 -6.537 1.00 0.00 C ATOM 330 CD ARG A 762 -5.061 -2.177 -7.963 1.00 0.00 C ATOM 331 NE ARG A 762 -3.900 -2.060 -8.843 1.00 0.00 N ATOM 332 CZ ARG A 762 -3.836 -2.592 -10.061 1.00 0.00 C ATOM 333 NH1 ARG A 762 -4.863 -3.278 -10.548 1.00 0.00 N ATOM 334 NH2 ARG A 762 -2.742 -2.439 -10.794 1.00 0.00 N ATOM 0 H ARG A 762 -4.668 1.191 -5.183 1.00 0.00 H new ATOM 0 HA ARG A 762 -6.679 -0.487 -3.956 1.00 0.00 H new ATOM 0 HB2 ARG A 762 -6.389 -2.403 -5.336 1.00 0.00 H new ATOM 0 HB3 ARG A 762 -6.763 -1.078 -6.419 1.00 0.00 H new ATOM 0 HG2 ARG A 762 -4.102 -0.877 -6.549 1.00 0.00 H new ATOM 0 HG3 ARG A 762 -4.174 -2.554 -6.045 1.00 0.00 H new ATOM 0 HD2 ARG A 762 -5.418 -3.207 -7.969 1.00 0.00 H new ATOM 0 HD3 ARG A 762 -5.871 -1.557 -8.347 1.00 0.00 H new ATOM 0 HE ARG A 762 -3.091 -1.540 -8.503 1.00 0.00 H new ATOM 0 HH11 ARG A 762 -5.707 -3.399 -9.988 1.00 0.00 H new ATOM 0 HH12 ARG A 762 -4.808 -3.684 -11.482 1.00 0.00 H new ATOM 0 HH21 ARG A 762 -1.950 -1.914 -10.424 1.00 0.00 H new ATOM 0 HH22 ARG A 762 -2.693 -2.847 -11.728 1.00 0.00 H new ATOM 348 N ALA A 763 -4.847 -1.399 -2.561 1.00 0.00 N ATOM 349 CA ALA A 763 -3.778 -1.820 -1.671 1.00 0.00 C ATOM 350 C ALA A 763 -3.612 -3.334 -1.685 1.00 0.00 C ATOM 351 O ALA A 763 -4.219 -4.045 -0.885 1.00 0.00 O ATOM 352 CB ALA A 763 -4.050 -1.332 -0.255 1.00 0.00 C ATOM 0 H ALA A 763 -5.786 -1.537 -2.188 1.00 0.00 H new ATOM 0 HA ALA A 763 -2.848 -1.377 -2.027 1.00 0.00 H new ATOM 0 HB1 ALA A 763 -3.242 -1.654 0.402 1.00 0.00 H new ATOM 0 HB2 ALA A 763 -4.110 -0.244 -0.250 1.00 0.00 H new ATOM 0 HB3 ALA A 763 -4.993 -1.749 0.099 1.00 0.00 H new ATOM 358 N SER A 764 -2.768 -3.816 -2.589 1.00 0.00 N ATOM 359 CA SER A 764 -2.498 -5.244 -2.701 1.00 0.00 C ATOM 360 C SER A 764 -1.001 -5.483 -2.619 1.00 0.00 C ATOM 361 O SER A 764 -0.239 -4.991 -3.444 1.00 0.00 O ATOM 362 CB SER A 764 -3.050 -5.795 -4.017 1.00 0.00 C ATOM 363 OG SER A 764 -4.237 -5.118 -4.395 1.00 0.00 O ATOM 0 H SER A 764 -2.258 -3.238 -3.256 1.00 0.00 H new ATOM 0 HA SER A 764 -2.993 -5.764 -1.881 1.00 0.00 H new ATOM 0 HB2 SER A 764 -2.301 -5.689 -4.802 1.00 0.00 H new ATOM 0 HB3 SER A 764 -3.253 -6.861 -3.912 1.00 0.00 H new ATOM 0 HG SER A 764 -4.569 -5.487 -5.240 1.00 0.00 H new ATOM 369 N ILE A 765 -0.586 -6.230 -1.608 1.00 0.00 N ATOM 370 CA ILE A 765 0.826 -6.516 -1.405 1.00 0.00 C ATOM 371 C ILE A 765 1.474 -7.092 -2.660 1.00 0.00 C ATOM 372 O ILE A 765 2.518 -6.614 -3.103 1.00 0.00 O ATOM 373 CB ILE A 765 1.049 -7.488 -0.238 1.00 0.00 C ATOM 374 CG1 ILE A 765 0.233 -7.066 0.987 1.00 0.00 C ATOM 375 CG2 ILE A 765 2.527 -7.543 0.098 1.00 0.00 C ATOM 376 CD1 ILE A 765 0.286 -8.065 2.121 1.00 0.00 C ATOM 0 H ILE A 765 -1.206 -6.649 -0.915 1.00 0.00 H new ATOM 0 HA ILE A 765 1.296 -5.561 -1.168 1.00 0.00 H new ATOM 0 HB ILE A 765 0.712 -8.481 -0.535 1.00 0.00 H new ATOM 0 HG12 ILE A 765 0.600 -6.104 1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 765 -0.806 -6.921 0.689 1.00 0.00 H new ATOM 0 HG21 ILE A 765 2.686 -8.233 0.927 1.00 0.00 H new ATOM 0 HG22 ILE A 765 3.086 -7.886 -0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 765 2.873 -6.549 0.382 1.00 0.00 H new ATOM 0 HD11 ILE A 765 -0.314 -7.701 2.955 1.00 0.00 H new ATOM 0 HD12 ILE A 765 -0.108 -9.023 1.781 1.00 0.00 H new ATOM 0 HD13 ILE A 765 1.319 -8.192 2.446 1.00 0.00 H new ATOM 388 N SER A 766 0.853 -8.119 -3.228 1.00 0.00 N ATOM 389 CA SER A 766 1.377 -8.753 -4.432 1.00 0.00 C ATOM 390 C SER A 766 1.618 -7.717 -5.524 1.00 0.00 C ATOM 391 O SER A 766 2.650 -7.729 -6.200 1.00 0.00 O ATOM 392 CB SER A 766 0.408 -9.825 -4.930 1.00 0.00 C ATOM 393 OG SER A 766 0.898 -10.455 -6.101 1.00 0.00 O ATOM 0 H SER A 766 -0.012 -8.530 -2.876 1.00 0.00 H new ATOM 0 HA SER A 766 2.329 -9.224 -4.185 1.00 0.00 H new ATOM 0 HB2 SER A 766 0.254 -10.571 -4.150 1.00 0.00 H new ATOM 0 HB3 SER A 766 -0.563 -9.374 -5.136 1.00 0.00 H new ATOM 0 HG SER A 766 0.260 -11.137 -6.397 1.00 0.00 H new ATOM 399 N ALA A 767 0.662 -6.814 -5.682 1.00 0.00 N ATOM 400 CA ALA A 767 0.764 -5.760 -6.681 1.00 0.00 C ATOM 401 C ALA A 767 1.854 -4.766 -6.303 1.00 0.00 C ATOM 402 O ALA A 767 2.644 -4.346 -7.148 1.00 0.00 O ATOM 403 CB ALA A 767 -0.573 -5.056 -6.846 1.00 0.00 C ATOM 0 H ALA A 767 -0.195 -6.790 -5.130 1.00 0.00 H new ATOM 0 HA ALA A 767 1.034 -6.213 -7.635 1.00 0.00 H new ATOM 0 HB1 ALA A 767 -0.481 -4.271 -7.596 1.00 0.00 H new ATOM 0 HB2 ALA A 767 -1.326 -5.776 -7.165 1.00 0.00 H new ATOM 0 HB3 ALA A 767 -0.872 -4.616 -5.895 1.00 0.00 H new ATOM 409 N VAL A 768 1.901 -4.405 -5.025 1.00 0.00 N ATOM 410 CA VAL A 768 2.910 -3.473 -4.539 1.00 0.00 C ATOM 411 C VAL A 768 4.302 -4.015 -4.811 1.00 0.00 C ATOM 412 O VAL A 768 5.168 -3.302 -5.306 1.00 0.00 O ATOM 413 CB VAL A 768 2.782 -3.203 -3.027 1.00 0.00 C ATOM 414 CG1 VAL A 768 3.772 -2.139 -2.588 1.00 0.00 C ATOM 415 CG2 VAL A 768 1.371 -2.785 -2.672 1.00 0.00 C ATOM 0 H VAL A 768 1.255 -4.742 -4.311 1.00 0.00 H new ATOM 0 HA VAL A 768 2.749 -2.536 -5.073 1.00 0.00 H new ATOM 0 HB VAL A 768 3.009 -4.129 -2.499 1.00 0.00 H new ATOM 0 HG11 VAL A 768 3.666 -1.963 -1.518 1.00 0.00 H new ATOM 0 HG12 VAL A 768 4.786 -2.476 -2.801 1.00 0.00 H new ATOM 0 HG13 VAL A 768 3.575 -1.214 -3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 768 1.305 -2.600 -1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 768 1.114 -1.875 -3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 768 0.676 -3.579 -2.946 1.00 0.00 H new ATOM 425 N GLN A 769 4.513 -5.283 -4.480 1.00 0.00 N ATOM 426 CA GLN A 769 5.806 -5.906 -4.691 1.00 0.00 C ATOM 427 C GLN A 769 6.118 -6.005 -6.174 1.00 0.00 C ATOM 428 O GLN A 769 7.276 -5.904 -6.580 1.00 0.00 O ATOM 429 CB GLN A 769 5.867 -7.288 -4.033 1.00 0.00 C ATOM 430 CG GLN A 769 4.947 -8.316 -4.671 1.00 0.00 C ATOM 431 CD GLN A 769 5.538 -9.713 -4.660 1.00 0.00 C ATOM 432 OE1 GLN A 769 5.562 -10.337 -3.489 1.00 0.00 O flip ATOM 433 NE2 GLN A 769 5.968 -10.224 -5.695 1.00 0.00 N flip ATOM 0 H GLN A 769 3.808 -5.894 -4.067 1.00 0.00 H new ATOM 0 HA GLN A 769 6.562 -5.277 -4.221 1.00 0.00 H new ATOM 0 HB2 GLN A 769 6.892 -7.656 -4.077 1.00 0.00 H new ATOM 0 HB3 GLN A 769 5.609 -7.189 -2.979 1.00 0.00 H new ATOM 0 HG2 GLN A 769 3.994 -8.324 -4.141 1.00 0.00 H new ATOM 0 HG3 GLN A 769 4.737 -8.022 -5.699 1.00 0.00 H new ATOM 0 HE21 GLN A 769 5.929 -9.707 -6.573 1.00 0.00 H new ATOM 0 HE22 GLN A 769 6.363 -11.164 -5.674 1.00 0.00 H new ATOM 442 N ARG A 770 5.079 -6.199 -6.976 1.00 0.00 N ATOM 443 CA ARG A 770 5.235 -6.307 -8.416 1.00 0.00 C ATOM 444 C ARG A 770 5.641 -4.966 -9.028 1.00 0.00 C ATOM 445 O ARG A 770 6.500 -4.911 -9.909 1.00 0.00 O ATOM 446 CB ARG A 770 3.927 -6.801 -9.042 1.00 0.00 C ATOM 447 CG ARG A 770 3.961 -8.267 -9.435 1.00 0.00 C ATOM 448 CD ARG A 770 2.781 -8.635 -10.319 1.00 0.00 C ATOM 449 NE ARG A 770 2.630 -10.082 -10.457 1.00 0.00 N ATOM 450 CZ ARG A 770 1.931 -10.665 -11.429 1.00 0.00 C ATOM 451 NH1 ARG A 770 1.316 -9.930 -12.347 1.00 0.00 N ATOM 452 NH2 ARG A 770 1.848 -11.987 -11.482 1.00 0.00 N ATOM 0 H ARG A 770 4.117 -6.285 -6.649 1.00 0.00 H new ATOM 0 HA ARG A 770 6.029 -7.025 -8.624 1.00 0.00 H new ATOM 0 HB2 ARG A 770 3.112 -6.641 -8.336 1.00 0.00 H new ATOM 0 HB3 ARG A 770 3.706 -6.201 -9.925 1.00 0.00 H new ATOM 0 HG2 ARG A 770 4.891 -8.482 -9.960 1.00 0.00 H new ATOM 0 HG3 ARG A 770 3.951 -8.886 -8.538 1.00 0.00 H new ATOM 0 HD2 ARG A 770 1.868 -8.214 -9.898 1.00 0.00 H new ATOM 0 HD3 ARG A 770 2.913 -8.189 -11.305 1.00 0.00 H new ATOM 0 HE ARG A 770 3.087 -10.680 -9.769 1.00 0.00 H new ATOM 0 HH11 ARG A 770 1.377 -8.912 -12.311 1.00 0.00 H new ATOM 0 HH12 ARG A 770 0.782 -10.383 -13.089 1.00 0.00 H new ATOM 0 HH21 ARG A 770 2.319 -12.556 -10.779 1.00 0.00 H new ATOM 0 HH22 ARG A 770 1.313 -12.435 -12.226 1.00 0.00 H new ATOM 466 N LYS A 771 5.015 -3.889 -8.561 1.00 0.00 N ATOM 467 CA LYS A 771 5.309 -2.550 -9.070 1.00 0.00 C ATOM 468 C LYS A 771 6.594 -1.991 -8.474 1.00 0.00 C ATOM 469 O LYS A 771 7.403 -1.381 -9.174 1.00 0.00 O ATOM 470 CB LYS A 771 4.152 -1.604 -8.758 1.00 0.00 C ATOM 471 CG LYS A 771 4.020 -0.459 -9.751 1.00 0.00 C ATOM 472 CD LYS A 771 2.854 -0.669 -10.702 1.00 0.00 C ATOM 473 CE LYS A 771 2.444 0.629 -11.376 1.00 0.00 C ATOM 474 NZ LYS A 771 1.134 0.506 -12.072 1.00 0.00 N ATOM 0 H LYS A 771 4.302 -3.916 -7.832 1.00 0.00 H new ATOM 0 HA LYS A 771 5.441 -2.631 -10.149 1.00 0.00 H new ATOM 0 HB2 LYS A 771 3.222 -2.172 -8.745 1.00 0.00 H new ATOM 0 HB3 LYS A 771 4.289 -1.193 -7.758 1.00 0.00 H new ATOM 0 HG2 LYS A 771 3.884 0.477 -9.210 1.00 0.00 H new ATOM 0 HG3 LYS A 771 4.943 -0.365 -10.323 1.00 0.00 H new ATOM 0 HD2 LYS A 771 3.129 -1.403 -11.460 1.00 0.00 H new ATOM 0 HD3 LYS A 771 2.006 -1.079 -10.154 1.00 0.00 H new ATOM 0 HE2 LYS A 771 2.385 1.422 -10.630 1.00 0.00 H new ATOM 0 HE3 LYS A 771 3.210 0.922 -12.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 0.891 1.413 -12.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 1.196 -0.233 -12.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 0.398 0.251 -11.383 1.00 0.00 H new ATOM 488 N LEU A 772 6.773 -2.197 -7.177 1.00 0.00 N ATOM 489 CA LEU A 772 7.960 -1.708 -6.481 1.00 0.00 C ATOM 490 C LEU A 772 9.130 -2.678 -6.604 1.00 0.00 C ATOM 491 O LEU A 772 10.248 -2.361 -6.201 1.00 0.00 O ATOM 492 CB LEU A 772 7.655 -1.465 -5.000 1.00 0.00 C ATOM 493 CG LEU A 772 7.520 0.006 -4.596 1.00 0.00 C ATOM 494 CD1 LEU A 772 6.061 0.428 -4.551 1.00 0.00 C ATOM 495 CD2 LEU A 772 8.180 0.244 -3.246 1.00 0.00 C ATOM 0 H LEU A 772 6.113 -2.699 -6.583 1.00 0.00 H new ATOM 0 HA LEU A 772 8.243 -0.768 -6.955 1.00 0.00 H new ATOM 0 HB2 LEU A 772 6.729 -1.981 -4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 772 8.447 -1.918 -4.403 1.00 0.00 H new ATOM 0 HG LEU A 772 8.025 0.612 -5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 772 5.994 1.477 -4.261 1.00 0.00 H new ATOM 0 HD12 LEU A 772 5.613 0.294 -5.536 1.00 0.00 H new ATOM 0 HD13 LEU A 772 5.528 -0.184 -3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 772 8.077 1.294 -2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 772 7.699 -0.378 -2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 772 9.238 -0.013 -3.308 1.00 0.00 H new ATOM 507 N LYS A 773 8.871 -3.868 -7.135 1.00 0.00 N ATOM 508 CA LYS A 773 9.917 -4.869 -7.268 1.00 0.00 C ATOM 509 C LYS A 773 10.514 -5.166 -5.898 1.00 0.00 C ATOM 510 O LYS A 773 11.730 -5.277 -5.744 1.00 0.00 O ATOM 511 CB LYS A 773 11.007 -4.383 -8.226 1.00 0.00 C ATOM 512 CG LYS A 773 10.557 -4.317 -9.676 1.00 0.00 C ATOM 513 CD LYS A 773 11.574 -3.592 -10.543 1.00 0.00 C ATOM 514 CE LYS A 773 12.607 -4.552 -11.109 1.00 0.00 C ATOM 515 NZ LYS A 773 13.078 -4.129 -12.458 1.00 0.00 N ATOM 0 H LYS A 773 7.955 -4.159 -7.476 1.00 0.00 H new ATOM 0 HA LYS A 773 9.484 -5.781 -7.678 1.00 0.00 H new ATOM 0 HB2 LYS A 773 11.340 -3.394 -7.912 1.00 0.00 H new ATOM 0 HB3 LYS A 773 11.868 -5.048 -8.151 1.00 0.00 H new ATOM 0 HG2 LYS A 773 10.406 -5.327 -10.058 1.00 0.00 H new ATOM 0 HG3 LYS A 773 9.596 -3.807 -9.737 1.00 0.00 H new ATOM 0 HD2 LYS A 773 11.061 -3.084 -11.360 1.00 0.00 H new ATOM 0 HD3 LYS A 773 12.074 -2.823 -9.954 1.00 0.00 H new ATOM 0 HE2 LYS A 773 13.457 -4.612 -10.430 1.00 0.00 H new ATOM 0 HE3 LYS A 773 12.178 -5.552 -11.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 773 13.781 -4.810 -12.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 773 12.271 -4.096 -13.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 773 13.511 -3.186 -12.394 1.00 0.00 H new ATOM 529 N ILE A 774 9.637 -5.285 -4.904 1.00 0.00 N ATOM 530 CA ILE A 774 10.065 -5.560 -3.536 1.00 0.00 C ATOM 531 C ILE A 774 9.630 -6.955 -3.105 1.00 0.00 C ATOM 532 O ILE A 774 9.101 -7.726 -3.906 1.00 0.00 O ATOM 533 CB ILE A 774 9.501 -4.525 -2.534 1.00 0.00 C ATOM 534 CG1 ILE A 774 7.983 -4.427 -2.660 1.00 0.00 C ATOM 535 CG2 ILE A 774 10.138 -3.165 -2.759 1.00 0.00 C ATOM 536 CD1 ILE A 774 7.343 -3.466 -1.677 1.00 0.00 C ATOM 0 H ILE A 774 8.628 -5.195 -5.020 1.00 0.00 H new ATOM 0 HA ILE A 774 11.153 -5.493 -3.528 1.00 0.00 H new ATOM 0 HB ILE A 774 9.743 -4.859 -1.525 1.00 0.00 H new ATOM 0 HG12 ILE A 774 7.732 -4.114 -3.674 1.00 0.00 H new ATOM 0 HG13 ILE A 774 7.552 -5.418 -2.516 1.00 0.00 H new ATOM 0 HG21 ILE A 774 9.730 -2.449 -2.045 1.00 0.00 H new ATOM 0 HG22 ILE A 774 11.216 -3.241 -2.620 1.00 0.00 H new ATOM 0 HG23 ILE A 774 9.926 -2.827 -3.773 1.00 0.00 H new ATOM 0 HD11 ILE A 774 6.264 -3.453 -1.831 1.00 0.00 H new ATOM 0 HD12 ILE A 774 7.561 -3.788 -0.659 1.00 0.00 H new ATOM 0 HD13 ILE A 774 7.744 -2.465 -1.834 1.00 0.00 H new ATOM 548 N GLY A 775 9.852 -7.275 -1.837 1.00 0.00 N ATOM 549 CA GLY A 775 9.474 -8.578 -1.326 1.00 0.00 C ATOM 550 C GLY A 775 8.073 -8.580 -0.754 1.00 0.00 C ATOM 551 O GLY A 775 7.592 -7.556 -0.272 1.00 0.00 O ATOM 0 H GLY A 775 10.287 -6.656 -1.153 1.00 0.00 H new ATOM 0 HA2 GLY A 775 9.539 -9.314 -2.127 1.00 0.00 H new ATOM 0 HA3 GLY A 775 10.181 -8.883 -0.554 1.00 0.00 H new ATOM 555 N TYR A 776 7.413 -9.731 -0.805 1.00 0.00 N ATOM 556 CA TYR A 776 6.057 -9.854 -0.285 1.00 0.00 C ATOM 557 C TYR A 776 6.000 -9.438 1.182 1.00 0.00 C ATOM 558 O TYR A 776 5.118 -8.683 1.592 1.00 0.00 O ATOM 559 CB TYR A 776 5.556 -11.290 -0.442 1.00 0.00 C ATOM 560 CG TYR A 776 4.159 -11.504 0.091 1.00 0.00 C ATOM 561 CD1 TYR A 776 3.942 -11.743 1.441 1.00 0.00 C ATOM 562 CD2 TYR A 776 3.058 -11.463 -0.755 1.00 0.00 C ATOM 563 CE1 TYR A 776 2.667 -11.937 1.935 1.00 0.00 C ATOM 564 CE2 TYR A 776 1.780 -11.655 -0.269 1.00 0.00 C ATOM 565 CZ TYR A 776 1.589 -11.893 1.077 1.00 0.00 C ATOM 566 OH TYR A 776 0.317 -12.085 1.564 1.00 0.00 O ATOM 0 H TYR A 776 7.794 -10.591 -1.200 1.00 0.00 H new ATOM 0 HA TYR A 776 5.411 -9.189 -0.858 1.00 0.00 H new ATOM 0 HB2 TYR A 776 5.579 -11.561 -1.498 1.00 0.00 H new ATOM 0 HB3 TYR A 776 6.240 -11.963 0.074 1.00 0.00 H new ATOM 0 HD1 TYR A 776 4.784 -11.778 2.116 1.00 0.00 H new ATOM 0 HD2 TYR A 776 3.204 -11.278 -1.809 1.00 0.00 H new ATOM 0 HE1 TYR A 776 2.515 -12.122 2.988 1.00 0.00 H new ATOM 0 HE2 TYR A 776 0.934 -11.619 -0.939 1.00 0.00 H new ATOM 0 HH TYR A 776 -0.328 -12.021 0.829 1.00 0.00 H new ATOM 576 N ASN A 777 6.948 -9.937 1.967 1.00 0.00 N ATOM 577 CA ASN A 777 7.012 -9.621 3.389 1.00 0.00 C ATOM 578 C ASN A 777 7.163 -8.118 3.611 1.00 0.00 C ATOM 579 O ASN A 777 6.496 -7.541 4.469 1.00 0.00 O ATOM 580 CB ASN A 777 8.174 -10.366 4.045 1.00 0.00 C ATOM 581 CG ASN A 777 7.741 -11.676 4.673 1.00 0.00 C ATOM 582 OD1 ASN A 777 6.734 -11.738 5.377 1.00 0.00 O ATOM 583 ND2 ASN A 777 8.503 -12.734 4.420 1.00 0.00 N ATOM 0 H ASN A 777 7.684 -10.563 1.642 1.00 0.00 H new ATOM 0 HA ASN A 777 6.077 -9.942 3.848 1.00 0.00 H new ATOM 0 HB2 ASN A 777 8.944 -10.561 3.299 1.00 0.00 H new ATOM 0 HB3 ASN A 777 8.624 -9.731 4.809 1.00 0.00 H new ATOM 0 HD21 ASN A 777 8.261 -13.643 4.815 1.00 0.00 H new ATOM 0 HD22 ASN A 777 9.330 -12.638 3.830 1.00 0.00 H new ATOM 590 N ARG A 778 8.047 -7.490 2.839 1.00 0.00 N ATOM 591 CA ARG A 778 8.281 -6.057 2.964 1.00 0.00 C ATOM 592 C ARG A 778 7.053 -5.266 2.527 1.00 0.00 C ATOM 593 O ARG A 778 6.579 -4.387 3.246 1.00 0.00 O ATOM 594 CB ARG A 778 9.501 -5.653 2.130 1.00 0.00 C ATOM 595 CG ARG A 778 9.655 -4.151 1.947 1.00 0.00 C ATOM 596 CD ARG A 778 10.689 -3.826 0.883 1.00 0.00 C ATOM 597 NE ARG A 778 11.715 -2.911 1.380 1.00 0.00 N ATOM 598 CZ ARG A 778 12.877 -3.304 1.899 1.00 0.00 C ATOM 599 NH1 ARG A 778 13.166 -4.596 2.008 1.00 0.00 N ATOM 600 NH2 ARG A 778 13.753 -2.401 2.316 1.00 0.00 N ATOM 0 H ARG A 778 8.610 -7.950 2.124 1.00 0.00 H new ATOM 0 HA ARG A 778 8.475 -5.828 4.012 1.00 0.00 H new ATOM 0 HB2 ARG A 778 10.400 -6.045 2.606 1.00 0.00 H new ATOM 0 HB3 ARG A 778 9.429 -6.123 1.149 1.00 0.00 H new ATOM 0 HG2 ARG A 778 8.695 -3.716 1.668 1.00 0.00 H new ATOM 0 HG3 ARG A 778 9.948 -3.696 2.893 1.00 0.00 H new ATOM 0 HD2 ARG A 778 11.160 -4.748 0.541 1.00 0.00 H new ATOM 0 HD3 ARG A 778 10.194 -3.382 0.020 1.00 0.00 H new ATOM 0 HE ARG A 778 11.530 -1.909 1.326 1.00 0.00 H new ATOM 0 HH11 ARG A 778 12.495 -5.297 1.693 1.00 0.00 H new ATOM 0 HH12 ARG A 778 14.059 -4.887 2.407 1.00 0.00 H new ATOM 0 HH21 ARG A 778 13.537 -1.407 2.239 1.00 0.00 H new ATOM 0 HH22 ARG A 778 14.643 -2.700 2.714 1.00 0.00 H new ATOM 614 N ALA A 779 6.539 -5.590 1.348 1.00 0.00 N ATOM 615 CA ALA A 779 5.362 -4.916 0.819 1.00 0.00 C ATOM 616 C ALA A 779 4.204 -5.021 1.807 1.00 0.00 C ATOM 617 O ALA A 779 3.563 -4.026 2.131 1.00 0.00 O ATOM 618 CB ALA A 779 4.979 -5.502 -0.532 1.00 0.00 C ATOM 0 H ALA A 779 6.919 -6.316 0.740 1.00 0.00 H new ATOM 0 HA ALA A 779 5.595 -3.861 0.677 1.00 0.00 H new ATOM 0 HB1 ALA A 779 4.097 -4.988 -0.915 1.00 0.00 H new ATOM 0 HB2 ALA A 779 5.805 -5.375 -1.231 1.00 0.00 H new ATOM 0 HB3 ALA A 779 4.759 -6.564 -0.419 1.00 0.00 H new ATOM 624 N ALA A 780 3.957 -6.234 2.292 1.00 0.00 N ATOM 625 CA ALA A 780 2.894 -6.476 3.261 1.00 0.00 C ATOM 626 C ALA A 780 3.072 -5.598 4.494 1.00 0.00 C ATOM 627 O ALA A 780 2.120 -4.980 4.971 1.00 0.00 O ATOM 628 CB ALA A 780 2.875 -7.944 3.664 1.00 0.00 C ATOM 0 H ALA A 780 4.481 -7.068 2.028 1.00 0.00 H new ATOM 0 HA ALA A 780 1.943 -6.222 2.794 1.00 0.00 H new ATOM 0 HB1 ALA A 780 2.077 -8.112 4.388 1.00 0.00 H new ATOM 0 HB2 ALA A 780 2.701 -8.561 2.782 1.00 0.00 H new ATOM 0 HB3 ALA A 780 3.833 -8.211 4.111 1.00 0.00 H new ATOM 634 N ARG A 781 4.301 -5.542 5.005 1.00 0.00 N ATOM 635 CA ARG A 781 4.603 -4.733 6.181 1.00 0.00 C ATOM 636 C ARG A 781 4.265 -3.272 5.919 1.00 0.00 C ATOM 637 O ARG A 781 3.593 -2.622 6.720 1.00 0.00 O ATOM 638 CB ARG A 781 6.081 -4.864 6.553 1.00 0.00 C ATOM 639 CG ARG A 781 6.372 -6.031 7.480 1.00 0.00 C ATOM 640 CD ARG A 781 7.616 -5.780 8.317 1.00 0.00 C ATOM 641 NE ARG A 781 8.828 -6.250 7.650 1.00 0.00 N ATOM 642 CZ ARG A 781 10.060 -5.938 8.046 1.00 0.00 C ATOM 643 NH1 ARG A 781 10.248 -5.158 9.102 1.00 0.00 N ATOM 644 NH2 ARG A 781 11.108 -6.409 7.382 1.00 0.00 N ATOM 0 H ARG A 781 5.101 -6.047 4.623 1.00 0.00 H new ATOM 0 HA ARG A 781 3.996 -5.094 7.011 1.00 0.00 H new ATOM 0 HB2 ARG A 781 6.668 -4.979 5.642 1.00 0.00 H new ATOM 0 HB3 ARG A 781 6.411 -3.941 7.030 1.00 0.00 H new ATOM 0 HG2 ARG A 781 5.518 -6.198 8.136 1.00 0.00 H new ATOM 0 HG3 ARG A 781 6.504 -6.940 6.893 1.00 0.00 H new ATOM 0 HD2 ARG A 781 7.706 -4.713 8.523 1.00 0.00 H new ATOM 0 HD3 ARG A 781 7.513 -6.282 9.279 1.00 0.00 H new ATOM 0 HE ARG A 781 8.724 -6.852 6.833 1.00 0.00 H new ATOM 0 HH11 ARG A 781 9.446 -4.793 9.616 1.00 0.00 H new ATOM 0 HH12 ARG A 781 11.195 -4.923 9.400 1.00 0.00 H new ATOM 0 HH21 ARG A 781 10.969 -7.009 6.569 1.00 0.00 H new ATOM 0 HH22 ARG A 781 12.053 -6.171 7.684 1.00 0.00 H new ATOM 658 N MET A 782 4.727 -2.769 4.781 1.00 0.00 N ATOM 659 CA MET A 782 4.466 -1.390 4.395 1.00 0.00 C ATOM 660 C MET A 782 2.975 -1.190 4.166 1.00 0.00 C ATOM 661 O MET A 782 2.418 -0.139 4.479 1.00 0.00 O ATOM 662 CB MET A 782 5.263 -1.045 3.135 1.00 0.00 C ATOM 663 CG MET A 782 6.763 -1.144 3.351 1.00 0.00 C ATOM 664 SD MET A 782 7.732 -0.268 2.106 1.00 0.00 S ATOM 665 CE MET A 782 6.971 -0.834 0.587 1.00 0.00 C ATOM 0 H MET A 782 5.285 -3.297 4.109 1.00 0.00 H new ATOM 0 HA MET A 782 4.782 -0.722 5.196 1.00 0.00 H new ATOM 0 HB2 MET A 782 4.970 -1.717 2.328 1.00 0.00 H new ATOM 0 HB3 MET A 782 5.011 -0.034 2.815 1.00 0.00 H new ATOM 0 HG2 MET A 782 7.007 -0.745 4.336 1.00 0.00 H new ATOM 0 HG3 MET A 782 7.053 -2.195 3.352 1.00 0.00 H new ATOM 0 HE1 MET A 782 7.398 -0.293 -0.257 1.00 0.00 H new ATOM 0 HE2 MET A 782 7.154 -1.901 0.464 1.00 0.00 H new ATOM 0 HE3 MET A 782 5.897 -0.652 0.628 1.00 0.00 H new ATOM 675 N ILE A 783 2.330 -2.223 3.644 1.00 0.00 N ATOM 676 CA ILE A 783 0.899 -2.185 3.400 1.00 0.00 C ATOM 677 C ILE A 783 0.165 -2.084 4.734 1.00 0.00 C ATOM 678 O ILE A 783 -0.818 -1.350 4.869 1.00 0.00 O ATOM 679 CB ILE A 783 0.445 -3.437 2.609 1.00 0.00 C ATOM 680 CG1 ILE A 783 0.872 -3.318 1.141 1.00 0.00 C ATOM 681 CG2 ILE A 783 -1.058 -3.652 2.710 1.00 0.00 C ATOM 682 CD1 ILE A 783 -0.002 -2.385 0.320 1.00 0.00 C ATOM 0 H ILE A 783 2.779 -3.100 3.381 1.00 0.00 H new ATOM 0 HA ILE A 783 0.659 -1.311 2.795 1.00 0.00 H new ATOM 0 HB ILE A 783 0.931 -4.306 3.053 1.00 0.00 H new ATOM 0 HG12 ILE A 783 1.902 -2.965 1.100 1.00 0.00 H new ATOM 0 HG13 ILE A 783 0.856 -4.309 0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 783 -1.338 -4.539 2.142 1.00 0.00 H new ATOM 0 HG22 ILE A 783 -1.337 -3.787 3.755 1.00 0.00 H new ATOM 0 HG23 ILE A 783 -1.578 -2.784 2.305 1.00 0.00 H new ATOM 0 HD11 ILE A 783 0.363 -2.354 -0.707 1.00 0.00 H new ATOM 0 HD12 ILE A 783 -1.030 -2.748 0.329 1.00 0.00 H new ATOM 0 HD13 ILE A 783 0.033 -1.383 0.748 1.00 0.00 H new ATOM 694 N GLU A 784 0.678 -2.794 5.735 1.00 0.00 N ATOM 695 CA GLU A 784 0.101 -2.745 7.067 1.00 0.00 C ATOM 696 C GLU A 784 0.246 -1.328 7.601 1.00 0.00 C ATOM 697 O GLU A 784 -0.662 -0.781 8.233 1.00 0.00 O ATOM 698 CB GLU A 784 0.806 -3.738 7.991 1.00 0.00 C ATOM 699 CG GLU A 784 0.320 -5.168 7.830 1.00 0.00 C ATOM 700 CD GLU A 784 -1.180 -5.298 8.010 1.00 0.00 C ATOM 701 OE1 GLU A 784 -1.660 -5.115 9.148 1.00 0.00 O ATOM 702 OE2 GLU A 784 -1.874 -5.587 7.012 1.00 0.00 O ATOM 0 H GLU A 784 1.489 -3.406 5.646 1.00 0.00 H new ATOM 0 HA GLU A 784 -0.953 -3.019 7.025 1.00 0.00 H new ATOM 0 HB2 GLU A 784 1.878 -3.703 7.798 1.00 0.00 H new ATOM 0 HB3 GLU A 784 0.658 -3.427 9.025 1.00 0.00 H new ATOM 0 HG2 GLU A 784 0.596 -5.532 6.841 1.00 0.00 H new ATOM 0 HG3 GLU A 784 0.826 -5.804 8.557 1.00 0.00 H new ATOM 709 N ALA A 785 1.395 -0.727 7.297 1.00 0.00 N ATOM 710 CA ALA A 785 1.674 0.641 7.695 1.00 0.00 C ATOM 711 C ALA A 785 0.660 1.569 7.052 1.00 0.00 C ATOM 712 O ALA A 785 0.254 2.570 7.637 1.00 0.00 O ATOM 713 CB ALA A 785 3.085 1.040 7.285 1.00 0.00 C ATOM 0 H ALA A 785 2.148 -1.173 6.773 1.00 0.00 H new ATOM 0 HA ALA A 785 1.600 0.718 8.780 1.00 0.00 H new ATOM 0 HB1 ALA A 785 3.276 2.068 7.592 1.00 0.00 H new ATOM 0 HB2 ALA A 785 3.805 0.378 7.767 1.00 0.00 H new ATOM 0 HB3 ALA A 785 3.186 0.959 6.203 1.00 0.00 H new ATOM 719 N MET A 786 0.249 1.214 5.838 1.00 0.00 N ATOM 720 CA MET A 786 -0.730 1.999 5.108 1.00 0.00 C ATOM 721 C MET A 786 -2.078 1.938 5.811 1.00 0.00 C ATOM 722 O MET A 786 -2.796 2.931 5.892 1.00 0.00 O ATOM 723 CB MET A 786 -0.864 1.490 3.673 1.00 0.00 C ATOM 724 CG MET A 786 0.118 2.135 2.717 1.00 0.00 C ATOM 725 SD MET A 786 -0.155 1.654 1.002 1.00 0.00 S ATOM 726 CE MET A 786 1.287 0.635 0.705 1.00 0.00 C ATOM 0 H MET A 786 0.581 0.387 5.342 1.00 0.00 H new ATOM 0 HA MET A 786 -0.391 3.034 5.078 1.00 0.00 H new ATOM 0 HB2 MET A 786 -0.716 0.410 3.662 1.00 0.00 H new ATOM 0 HB3 MET A 786 -1.879 1.676 3.322 1.00 0.00 H new ATOM 0 HG2 MET A 786 0.041 3.219 2.802 1.00 0.00 H new ATOM 0 HG3 MET A 786 1.133 1.863 3.008 1.00 0.00 H new ATOM 0 HE1 MET A 786 1.178 0.119 -0.249 1.00 0.00 H new ATOM 0 HE2 MET A 786 2.177 1.263 0.678 1.00 0.00 H new ATOM 0 HE3 MET A 786 1.385 -0.099 1.505 1.00 0.00 H new ATOM 736 N GLU A 787 -2.413 0.761 6.326 1.00 0.00 N ATOM 737 CA GLU A 787 -3.673 0.575 7.033 1.00 0.00 C ATOM 738 C GLU A 787 -3.740 1.477 8.258 1.00 0.00 C ATOM 739 O GLU A 787 -4.688 2.244 8.431 1.00 0.00 O ATOM 740 CB GLU A 787 -3.842 -0.886 7.452 1.00 0.00 C ATOM 741 CG GLU A 787 -4.839 -1.643 6.596 1.00 0.00 C ATOM 742 CD GLU A 787 -5.288 -2.943 7.235 1.00 0.00 C ATOM 743 OE1 GLU A 787 -4.414 -3.755 7.606 1.00 0.00 O ATOM 744 OE2 GLU A 787 -6.513 -3.149 7.364 1.00 0.00 O ATOM 0 H GLU A 787 -1.832 -0.075 6.267 1.00 0.00 H new ATOM 0 HA GLU A 787 -4.484 0.844 6.356 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -2.875 -1.386 7.400 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -4.164 -0.924 8.493 1.00 0.00 H new ATOM 0 HG2 GLU A 787 -5.709 -1.012 6.415 1.00 0.00 H new ATOM 0 HG3 GLU A 787 -4.391 -1.855 5.625 1.00 0.00 H new ATOM 751 N MET A 788 -2.727 1.373 9.103 1.00 0.00 N ATOM 752 CA MET A 788 -2.657 2.172 10.320 1.00 0.00 C ATOM 753 C MET A 788 -2.438 3.649 9.998 1.00 0.00 C ATOM 754 O MET A 788 -2.990 4.529 10.659 1.00 0.00 O ATOM 755 CB MET A 788 -1.528 1.663 11.214 1.00 0.00 C ATOM 756 CG MET A 788 -1.882 0.401 11.980 1.00 0.00 C ATOM 757 SD MET A 788 -0.813 0.132 13.408 1.00 0.00 S ATOM 758 CE MET A 788 0.786 0.002 12.611 1.00 0.00 C ATOM 0 H MET A 788 -1.938 0.741 8.969 1.00 0.00 H new ATOM 0 HA MET A 788 -3.608 2.075 10.844 1.00 0.00 H new ATOM 0 HB2 MET A 788 -0.648 1.471 10.600 1.00 0.00 H new ATOM 0 HB3 MET A 788 -1.257 2.445 11.924 1.00 0.00 H new ATOM 0 HG2 MET A 788 -2.918 0.461 12.313 1.00 0.00 H new ATOM 0 HG3 MET A 788 -1.811 -0.457 11.311 1.00 0.00 H new ATOM 0 HE1 MET A 788 1.530 -0.323 13.338 1.00 0.00 H new ATOM 0 HE2 MET A 788 0.730 -0.724 11.800 1.00 0.00 H new ATOM 0 HE3 MET A 788 1.072 0.974 12.209 1.00 0.00 H new ATOM 768 N ALA A 789 -1.625 3.907 8.982 1.00 0.00 N ATOM 769 CA ALA A 789 -1.318 5.273 8.566 1.00 0.00 C ATOM 770 C ALA A 789 -2.542 5.975 7.986 1.00 0.00 C ATOM 771 O ALA A 789 -2.596 7.204 7.934 1.00 0.00 O ATOM 772 CB ALA A 789 -0.196 5.265 7.539 1.00 0.00 C ATOM 0 H ALA A 789 -1.163 3.186 8.427 1.00 0.00 H new ATOM 0 HA ALA A 789 -1.002 5.825 9.451 1.00 0.00 H new ATOM 0 HB1 ALA A 789 0.026 6.288 7.235 1.00 0.00 H new ATOM 0 HB2 ALA A 789 0.695 4.815 7.977 1.00 0.00 H new ATOM 0 HB3 ALA A 789 -0.504 4.686 6.668 1.00 0.00 H new ATOM 778 N GLY A 790 -3.514 5.191 7.536 1.00 0.00 N ATOM 779 CA GLY A 790 -4.712 5.761 6.949 1.00 0.00 C ATOM 780 C GLY A 790 -4.577 5.935 5.447 1.00 0.00 C ATOM 781 O GLY A 790 -5.325 6.692 4.828 1.00 0.00 O ATOM 0 H GLY A 790 -3.494 4.172 7.567 1.00 0.00 H new ATOM 0 HA2 GLY A 790 -5.564 5.117 7.165 1.00 0.00 H new ATOM 0 HA3 GLY A 790 -4.918 6.727 7.410 1.00 0.00 H new ATOM 785 N VAL A 791 -3.613 5.228 4.865 1.00 0.00 N ATOM 786 CA VAL A 791 -3.358 5.289 3.434 1.00 0.00 C ATOM 787 C VAL A 791 -4.197 4.267 2.684 1.00 0.00 C ATOM 788 O VAL A 791 -4.578 4.487 1.535 1.00 0.00 O ATOM 789 CB VAL A 791 -1.871 5.047 3.132 1.00 0.00 C ATOM 790 CG1 VAL A 791 -1.569 5.301 1.666 1.00 0.00 C ATOM 791 CG2 VAL A 791 -1.009 5.927 4.021 1.00 0.00 C ATOM 0 H VAL A 791 -2.990 4.599 5.372 1.00 0.00 H new ATOM 0 HA VAL A 791 -3.634 6.288 3.097 1.00 0.00 H new ATOM 0 HB VAL A 791 -1.639 4.003 3.344 1.00 0.00 H new ATOM 0 HG11 VAL A 791 -0.510 5.123 1.476 1.00 0.00 H new ATOM 0 HG12 VAL A 791 -2.166 4.629 1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 791 -1.814 6.334 1.418 1.00 0.00 H new ATOM 0 HG21 VAL A 791 0.043 5.748 3.799 1.00 0.00 H new ATOM 0 HG22 VAL A 791 -1.246 6.975 3.835 1.00 0.00 H new ATOM 0 HG23 VAL A 791 -1.205 5.690 5.067 1.00 0.00 H new ATOM 801 N VAL A 792 -4.493 3.155 3.343 1.00 0.00 N ATOM 802 CA VAL A 792 -5.300 2.109 2.732 1.00 0.00 C ATOM 803 C VAL A 792 -6.326 1.555 3.711 1.00 0.00 C ATOM 804 O VAL A 792 -6.021 1.320 4.880 1.00 0.00 O ATOM 805 CB VAL A 792 -4.428 0.957 2.208 1.00 0.00 C ATOM 806 CG1 VAL A 792 -3.392 1.489 1.236 1.00 0.00 C ATOM 807 CG2 VAL A 792 -3.761 0.213 3.354 1.00 0.00 C ATOM 0 H VAL A 792 -4.188 2.955 4.296 1.00 0.00 H new ATOM 0 HA VAL A 792 -5.821 2.568 1.892 1.00 0.00 H new ATOM 0 HB VAL A 792 -5.070 0.250 1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 792 -2.779 0.665 0.870 1.00 0.00 H new ATOM 0 HG12 VAL A 792 -3.894 1.969 0.396 1.00 0.00 H new ATOM 0 HG13 VAL A 792 -2.757 2.216 1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 792 -3.150 -0.597 2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 792 -3.129 0.901 3.916 1.00 0.00 H new ATOM 0 HG23 VAL A 792 -4.525 -0.199 4.013 1.00 0.00 H new ATOM 817 N THR A 793 -7.542 1.338 3.226 1.00 0.00 N ATOM 818 CA THR A 793 -8.603 0.798 4.062 1.00 0.00 C ATOM 819 C THR A 793 -8.519 -0.725 4.086 1.00 0.00 C ATOM 820 O THR A 793 -7.913 -1.332 3.203 1.00 0.00 O ATOM 821 CB THR A 793 -9.984 1.237 3.558 1.00 0.00 C ATOM 822 OG1 THR A 793 -10.499 0.307 2.621 1.00 0.00 O ATOM 823 CG2 THR A 793 -9.989 2.599 2.898 1.00 0.00 C ATOM 0 H THR A 793 -7.816 1.527 2.262 1.00 0.00 H new ATOM 0 HA THR A 793 -8.471 1.186 5.072 1.00 0.00 H new ATOM 0 HB THR A 793 -10.605 1.286 4.453 1.00 0.00 H new ATOM 0 HG1 THR A 793 -11.471 0.414 2.555 1.00 0.00 H new ATOM 0 HG21 THR A 793 -11.000 2.840 2.568 1.00 0.00 H new ATOM 0 HG22 THR A 793 -9.652 3.350 3.612 1.00 0.00 H new ATOM 0 HG23 THR A 793 -9.319 2.589 2.038 1.00 0.00 H new ATOM 831 N PRO A 794 -9.126 -1.370 5.094 1.00 0.00 N ATOM 832 CA PRO A 794 -9.109 -2.830 5.211 1.00 0.00 C ATOM 833 C PRO A 794 -9.567 -3.519 3.933 1.00 0.00 C ATOM 834 O PRO A 794 -10.037 -2.874 2.997 1.00 0.00 O ATOM 835 CB PRO A 794 -10.095 -3.107 6.344 1.00 0.00 C ATOM 836 CG PRO A 794 -10.077 -1.869 7.164 1.00 0.00 C ATOM 837 CD PRO A 794 -9.874 -0.736 6.193 1.00 0.00 C ATOM 0 HA PRO A 794 -8.105 -3.210 5.397 1.00 0.00 H new ATOM 0 HB2 PRO A 794 -11.094 -3.314 5.959 1.00 0.00 H new ATOM 0 HB3 PRO A 794 -9.793 -3.975 6.930 1.00 0.00 H new ATOM 0 HG2 PRO A 794 -11.011 -1.750 7.713 1.00 0.00 H new ATOM 0 HG3 PRO A 794 -9.275 -1.900 7.902 1.00 0.00 H new ATOM 0 HD2 PRO A 794 -10.823 -0.324 5.850 1.00 0.00 H new ATOM 0 HD3 PRO A 794 -9.314 0.084 6.642 1.00 0.00 H new ATOM 845 N MET A 795 -9.424 -4.836 3.906 1.00 0.00 N ATOM 846 CA MET A 795 -9.818 -5.630 2.753 1.00 0.00 C ATOM 847 C MET A 795 -11.337 -5.688 2.623 1.00 0.00 C ATOM 848 O MET A 795 -12.064 -5.356 3.559 1.00 0.00 O ATOM 849 CB MET A 795 -9.249 -7.041 2.878 1.00 0.00 C ATOM 850 CG MET A 795 -7.767 -7.073 3.213 1.00 0.00 C ATOM 851 SD MET A 795 -7.333 -8.434 4.315 1.00 0.00 S ATOM 852 CE MET A 795 -5.772 -8.956 3.611 1.00 0.00 C ATOM 0 H MET A 795 -9.035 -5.380 4.676 1.00 0.00 H new ATOM 0 HA MET A 795 -9.418 -5.157 1.856 1.00 0.00 H new ATOM 0 HB2 MET A 795 -9.799 -7.578 3.651 1.00 0.00 H new ATOM 0 HB3 MET A 795 -9.413 -7.574 1.941 1.00 0.00 H new ATOM 0 HG2 MET A 795 -7.192 -7.160 2.291 1.00 0.00 H new ATOM 0 HG3 MET A 795 -7.483 -6.129 3.678 1.00 0.00 H new ATOM 0 HE1 MET A 795 -5.376 -9.794 4.185 1.00 0.00 H new ATOM 0 HE2 MET A 795 -5.924 -9.265 2.577 1.00 0.00 H new ATOM 0 HE3 MET A 795 -5.064 -8.128 3.642 1.00 0.00 H new ATOM 862 N ASN A 796 -11.808 -6.114 1.455 1.00 0.00 N ATOM 863 CA ASN A 796 -13.241 -6.217 1.201 1.00 0.00 C ATOM 864 C ASN A 796 -13.693 -7.675 1.221 1.00 0.00 C ATOM 865 O ASN A 796 -12.878 -8.586 1.368 1.00 0.00 O ATOM 866 CB ASN A 796 -13.588 -5.582 -0.146 1.00 0.00 C ATOM 867 CG ASN A 796 -13.645 -4.075 -0.078 1.00 0.00 C ATOM 868 OD1 ASN A 796 -13.979 -3.496 0.957 1.00 0.00 O ATOM 869 ND2 ASN A 796 -13.319 -3.430 -1.188 1.00 0.00 N ATOM 0 H ASN A 796 -11.219 -6.393 0.670 1.00 0.00 H new ATOM 0 HA ASN A 796 -13.765 -5.682 1.993 1.00 0.00 H new ATOM 0 HB2 ASN A 796 -12.846 -5.881 -0.887 1.00 0.00 H new ATOM 0 HB3 ASN A 796 -14.551 -5.964 -0.487 1.00 0.00 H new ATOM 0 HD21 ASN A 796 -13.338 -2.410 -1.210 1.00 0.00 H new ATOM 0 HD22 ASN A 796 -13.049 -3.953 -2.021 1.00 0.00 H new ATOM 876 N THR A 797 -14.996 -7.888 1.073 1.00 0.00 N ATOM 877 CA THR A 797 -15.555 -9.234 1.074 1.00 0.00 C ATOM 878 C THR A 797 -14.974 -10.065 -0.066 1.00 0.00 C ATOM 879 O THR A 797 -14.771 -11.271 0.073 1.00 0.00 O ATOM 880 CB THR A 797 -17.079 -9.178 0.953 1.00 0.00 C ATOM 881 OG1 THR A 797 -17.618 -10.478 0.786 1.00 0.00 O ATOM 882 CG2 THR A 797 -17.556 -8.329 -0.205 1.00 0.00 C ATOM 0 H THR A 797 -15.685 -7.145 0.951 1.00 0.00 H new ATOM 0 HA THR A 797 -15.290 -9.709 2.019 1.00 0.00 H new ATOM 0 HB THR A 797 -17.426 -8.724 1.881 1.00 0.00 H new ATOM 0 HG1 THR A 797 -18.594 -10.421 0.712 1.00 0.00 H new ATOM 0 HG21 THR A 797 -18.646 -8.332 -0.234 1.00 0.00 H new ATOM 0 HG22 THR A 797 -17.199 -7.307 -0.078 1.00 0.00 H new ATOM 0 HG23 THR A 797 -17.167 -8.736 -1.139 1.00 0.00 H new ATOM 890 N ASN A 798 -14.708 -9.411 -1.192 1.00 0.00 N ATOM 891 CA ASN A 798 -14.149 -10.090 -2.356 1.00 0.00 C ATOM 892 C ASN A 798 -12.645 -10.304 -2.198 1.00 0.00 C ATOM 893 O ASN A 798 -12.051 -11.124 -2.898 1.00 0.00 O ATOM 894 CB ASN A 798 -14.433 -9.283 -3.626 1.00 0.00 C ATOM 895 CG ASN A 798 -15.234 -10.064 -4.641 1.00 0.00 C ATOM 896 OD1 ASN A 798 -15.229 -11.295 -4.645 1.00 0.00 O ATOM 897 ND2 ASN A 798 -15.930 -9.346 -5.509 1.00 0.00 N ATOM 0 H ASN A 798 -14.870 -8.413 -1.323 1.00 0.00 H new ATOM 0 HA ASN A 798 -14.626 -11.067 -2.438 1.00 0.00 H new ATOM 0 HB2 ASN A 798 -14.974 -8.375 -3.362 1.00 0.00 H new ATOM 0 HB3 ASN A 798 -13.489 -8.973 -4.074 1.00 0.00 H new ATOM 0 HD21 ASN A 798 -16.493 -9.812 -6.220 1.00 0.00 H new ATOM 0 HD22 ASN A 798 -15.903 -8.327 -5.466 1.00 0.00 H new ATOM 904 N GLY A 799 -12.033 -9.565 -1.277 1.00 0.00 N ATOM 905 CA GLY A 799 -10.606 -9.695 -1.052 1.00 0.00 C ATOM 906 C GLY A 799 -9.815 -8.563 -1.675 1.00 0.00 C ATOM 907 O GLY A 799 -8.658 -8.741 -2.056 1.00 0.00 O ATOM 0 H GLY A 799 -12.500 -8.879 -0.684 1.00 0.00 H new ATOM 0 HA2 GLY A 799 -10.412 -9.723 0.020 1.00 0.00 H new ATOM 0 HA3 GLY A 799 -10.262 -10.644 -1.463 1.00 0.00 H new ATOM 911 N SER A 800 -10.439 -7.394 -1.779 1.00 0.00 N ATOM 912 CA SER A 800 -9.785 -6.228 -2.361 1.00 0.00 C ATOM 913 C SER A 800 -9.791 -5.054 -1.388 1.00 0.00 C ATOM 914 O SER A 800 -10.830 -4.701 -0.829 1.00 0.00 O ATOM 915 CB SER A 800 -10.475 -5.825 -3.665 1.00 0.00 C ATOM 916 OG SER A 800 -10.663 -6.946 -4.511 1.00 0.00 O ATOM 0 H SER A 800 -11.396 -7.229 -1.468 1.00 0.00 H new ATOM 0 HA SER A 800 -8.750 -6.496 -2.573 1.00 0.00 H new ATOM 0 HB2 SER A 800 -11.439 -5.367 -3.443 1.00 0.00 H new ATOM 0 HB3 SER A 800 -9.876 -5.074 -4.180 1.00 0.00 H new ATOM 0 HG SER A 800 -11.107 -6.662 -5.337 1.00 0.00 H new ATOM 922 N ARG A 801 -8.623 -4.455 -1.190 1.00 0.00 N ATOM 923 CA ARG A 801 -8.485 -3.321 -0.285 1.00 0.00 C ATOM 924 C ARG A 801 -8.819 -2.012 -0.988 1.00 0.00 C ATOM 925 O ARG A 801 -8.973 -1.966 -2.208 1.00 0.00 O ATOM 926 CB ARG A 801 -7.063 -3.246 0.267 1.00 0.00 C ATOM 927 CG ARG A 801 -6.864 -4.017 1.556 1.00 0.00 C ATOM 928 CD ARG A 801 -5.415 -4.443 1.720 1.00 0.00 C ATOM 929 NE ARG A 801 -5.043 -4.617 3.121 1.00 0.00 N ATOM 930 CZ ARG A 801 -4.213 -3.809 3.781 1.00 0.00 C ATOM 931 NH1 ARG A 801 -3.699 -2.734 3.191 1.00 0.00 N ATOM 932 NH2 ARG A 801 -3.906 -4.073 5.043 1.00 0.00 N ATOM 0 H ARG A 801 -7.755 -4.737 -1.646 1.00 0.00 H new ATOM 0 HA ARG A 801 -9.187 -3.470 0.535 1.00 0.00 H new ATOM 0 HB2 ARG A 801 -6.371 -3.628 -0.484 1.00 0.00 H new ATOM 0 HB3 ARG A 801 -6.804 -2.201 0.436 1.00 0.00 H new ATOM 0 HG2 ARG A 801 -7.163 -3.399 2.403 1.00 0.00 H new ATOM 0 HG3 ARG A 801 -7.508 -4.897 1.560 1.00 0.00 H new ATOM 0 HD2 ARG A 801 -5.251 -5.378 1.184 1.00 0.00 H new ATOM 0 HD3 ARG A 801 -4.765 -3.696 1.264 1.00 0.00 H new ATOM 0 HE ARG A 801 -5.444 -5.407 3.627 1.00 0.00 H new ATOM 0 HH11 ARG A 801 -3.939 -2.520 2.223 1.00 0.00 H new ATOM 0 HH12 ARG A 801 -3.065 -2.123 3.706 1.00 0.00 H new ATOM 0 HH21 ARG A 801 -4.304 -4.891 5.504 1.00 0.00 H new ATOM 0 HH22 ARG A 801 -3.271 -3.458 5.553 1.00 0.00 H new ATOM 946 N GLU A 802 -8.910 -0.948 -0.202 1.00 0.00 N ATOM 947 CA GLU A 802 -9.204 0.377 -0.730 1.00 0.00 C ATOM 948 C GLU A 802 -8.176 1.382 -0.225 1.00 0.00 C ATOM 949 O GLU A 802 -7.409 1.086 0.689 1.00 0.00 O ATOM 950 CB GLU A 802 -10.615 0.817 -0.329 1.00 0.00 C ATOM 951 CG GLU A 802 -11.626 0.724 -1.460 1.00 0.00 C ATOM 952 CD GLU A 802 -13.004 1.204 -1.051 1.00 0.00 C ATOM 953 OE1 GLU A 802 -13.410 0.935 0.100 1.00 0.00 O ATOM 954 OE2 GLU A 802 -13.679 1.850 -1.880 1.00 0.00 O ATOM 0 H GLU A 802 -8.784 -0.978 0.810 1.00 0.00 H new ATOM 0 HA GLU A 802 -9.153 0.335 -1.818 1.00 0.00 H new ATOM 0 HB2 GLU A 802 -10.956 0.201 0.503 1.00 0.00 H new ATOM 0 HB3 GLU A 802 -10.578 1.846 0.030 1.00 0.00 H new ATOM 0 HG2 GLU A 802 -11.275 1.316 -2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 802 -11.691 -0.310 -1.800 1.00 0.00 H new ATOM 961 N VAL A 803 -8.158 2.565 -0.824 1.00 0.00 N ATOM 962 CA VAL A 803 -7.215 3.598 -0.424 1.00 0.00 C ATOM 963 C VAL A 803 -7.917 4.759 0.268 1.00 0.00 C ATOM 964 O VAL A 803 -8.948 5.244 -0.199 1.00 0.00 O ATOM 965 CB VAL A 803 -6.425 4.142 -1.626 1.00 0.00 C ATOM 966 CG1 VAL A 803 -5.324 5.079 -1.154 1.00 0.00 C ATOM 967 CG2 VAL A 803 -5.850 2.999 -2.450 1.00 0.00 C ATOM 0 H VAL A 803 -8.783 2.832 -1.585 1.00 0.00 H new ATOM 0 HA VAL A 803 -6.524 3.127 0.275 1.00 0.00 H new ATOM 0 HB VAL A 803 -7.105 4.707 -2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 803 -4.773 5.456 -2.016 1.00 0.00 H new ATOM 0 HG12 VAL A 803 -5.765 5.915 -0.611 1.00 0.00 H new ATOM 0 HG13 VAL A 803 -4.643 4.538 -0.497 1.00 0.00 H new ATOM 0 HG21 VAL A 803 -5.295 3.404 -3.296 1.00 0.00 H new ATOM 0 HG22 VAL A 803 -5.182 2.403 -1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 803 -6.662 2.370 -2.816 1.00 0.00 H new ATOM 977 N ILE A 804 -7.340 5.211 1.375 1.00 0.00 N ATOM 978 CA ILE A 804 -7.898 6.330 2.126 1.00 0.00 C ATOM 979 C ILE A 804 -7.091 7.597 1.863 1.00 0.00 C ATOM 980 O ILE A 804 -7.616 8.708 1.941 1.00 0.00 O ATOM 981 CB ILE A 804 -7.939 6.064 3.652 1.00 0.00 C ATOM 982 CG1 ILE A 804 -7.239 4.748 4.013 1.00 0.00 C ATOM 983 CG2 ILE A 804 -9.377 6.055 4.146 1.00 0.00 C ATOM 984 CD1 ILE A 804 -7.253 4.443 5.494 1.00 0.00 C ATOM 0 H ILE A 804 -6.486 4.820 1.773 1.00 0.00 H new ATOM 0 HA ILE A 804 -8.924 6.455 1.781 1.00 0.00 H new ATOM 0 HB ILE A 804 -7.399 6.871 4.147 1.00 0.00 H new ATOM 0 HG12 ILE A 804 -7.721 3.930 3.477 1.00 0.00 H new ATOM 0 HG13 ILE A 804 -6.206 4.789 3.668 1.00 0.00 H new ATOM 0 HG21 ILE A 804 -9.392 5.867 5.220 1.00 0.00 H new ATOM 0 HG22 ILE A 804 -9.838 7.021 3.940 1.00 0.00 H new ATOM 0 HG23 ILE A 804 -9.933 5.271 3.633 1.00 0.00 H new ATOM 0 HD11 ILE A 804 -6.741 3.498 5.676 1.00 0.00 H new ATOM 0 HD12 ILE A 804 -6.745 5.241 6.035 1.00 0.00 H new ATOM 0 HD13 ILE A 804 -8.284 4.369 5.841 1.00 0.00 H new ATOM 996 N ALA A 805 -5.812 7.420 1.544 1.00 0.00 N ATOM 997 CA ALA A 805 -4.930 8.540 1.261 1.00 0.00 C ATOM 998 C ALA A 805 -5.085 9.003 -0.186 1.00 0.00 C ATOM 999 O ALA A 805 -4.916 8.216 -1.118 1.00 0.00 O ATOM 1000 CB ALA A 805 -3.483 8.154 1.537 1.00 0.00 C ATOM 0 H ALA A 805 -5.365 6.506 1.476 1.00 0.00 H new ATOM 0 HA ALA A 805 -5.207 9.366 1.916 1.00 0.00 H new ATOM 0 HB1 ALA A 805 -2.833 9.002 1.321 1.00 0.00 H new ATOM 0 HB2 ALA A 805 -3.375 7.872 2.584 1.00 0.00 H new ATOM 0 HB3 ALA A 805 -3.204 7.312 0.904 1.00 0.00 H new ATOM 1006 N PRO A 806 -5.408 10.289 -0.397 1.00 0.00 N ATOM 1007 CA PRO A 806 -5.582 10.850 -1.741 1.00 0.00 C ATOM 1008 C PRO A 806 -4.281 10.853 -2.536 1.00 0.00 C ATOM 1009 O PRO A 806 -3.197 10.704 -1.974 1.00 0.00 O ATOM 1010 CB PRO A 806 -6.053 12.282 -1.477 1.00 0.00 C ATOM 1011 CG PRO A 806 -5.566 12.595 -0.106 1.00 0.00 C ATOM 1012 CD PRO A 806 -5.625 11.298 0.652 1.00 0.00 C ATOM 0 HA PRO A 806 -6.281 10.265 -2.339 1.00 0.00 H new ATOM 0 HB2 PRO A 806 -5.642 12.975 -2.211 1.00 0.00 H new ATOM 0 HB3 PRO A 806 -7.139 12.359 -1.539 1.00 0.00 H new ATOM 0 HG2 PRO A 806 -4.550 12.988 -0.132 1.00 0.00 H new ATOM 0 HG3 PRO A 806 -6.189 13.354 0.367 1.00 0.00 H new ATOM 0 HD2 PRO A 806 -4.858 11.247 1.425 1.00 0.00 H new ATOM 0 HD3 PRO A 806 -6.586 11.164 1.148 1.00 0.00 H new ATOM 1020 N ALA A 807 -4.401 11.021 -3.847 1.00 0.00 N ATOM 1021 CA ALA A 807 -3.237 11.041 -4.726 1.00 0.00 C ATOM 1022 C ALA A 807 -2.777 12.471 -4.999 1.00 0.00 C ATOM 1023 O ALA A 807 -3.491 13.428 -4.702 1.00 0.00 O ATOM 1024 CB ALA A 807 -3.552 10.324 -6.031 1.00 0.00 C ATOM 0 H ALA A 807 -5.293 11.146 -4.326 1.00 0.00 H new ATOM 0 HA ALA A 807 -2.423 10.518 -4.224 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -2.676 10.346 -6.679 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -3.823 9.289 -5.821 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -4.383 10.823 -6.529 1.00 0.00 H new