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= 0.00889 USER MOD Single : A 750 TYR OH : rot -15:sc= -0.477 USER MOD Single : A 758 THR OG1 : rot -98:sc= -0.621 USER MOD Single : A 760 SER OG : rot 121:sc= -2.22! 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= -0.0836 F(o=-1.6,f=-0.084) 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 K(o=0,f=-1.1) USER MOD Single : A 782 MET CE :methyl -107:sc= -8.63! (180deg=-14.1!) USER MOD Single : A 786 MET CE :methyl 171:sc= -6.03! (180deg=-6.23!) USER MOD Single : A 788 MET CE :methyl -167:sc= -0.073 (180deg=-0.432) USER MOD Single : A 793 THR OG1 : rot 156:sc= -1.43 USER MOD Single : A 795 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 796 ASN : amide:sc= -0.876 K(o=-0.88,f=-1.7) USER MOD Single : A 797 THR OG1 : rot 180:sc= 0 USER MOD Single : A 798 ASN : amide:sc= -0.202 K(o=-0.2,f=-1.8!) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLY A 743 8.909 -1.105 6.819 1.00 0.00 N ATOM 37 CA GLY A 743 7.634 -0.808 6.194 1.00 0.00 C ATOM 38 C GLY A 743 6.716 -0.009 7.098 1.00 0.00 C ATOM 39 O GLY A 743 5.502 -0.210 7.096 1.00 0.00 O ATOM 0 HA2 GLY A 743 7.806 -0.251 5.273 1.00 0.00 H new ATOM 0 HA3 GLY A 743 7.143 -1.741 5.916 1.00 0.00 H new ATOM 43 N SER A 744 7.297 0.901 7.871 1.00 0.00 N ATOM 44 CA SER A 744 6.523 1.736 8.783 1.00 0.00 C ATOM 45 C SER A 744 6.060 3.012 8.082 1.00 0.00 C ATOM 46 O SER A 744 6.030 3.077 6.853 1.00 0.00 O ATOM 47 CB SER A 744 7.352 2.080 10.023 1.00 0.00 C ATOM 48 OG SER A 744 8.468 1.216 10.147 1.00 0.00 O ATOM 0 H SER A 744 8.301 1.080 7.885 1.00 0.00 H new ATOM 0 HA SER A 744 5.641 1.177 9.097 1.00 0.00 H new ATOM 0 HB2 SER A 744 7.693 3.113 9.961 1.00 0.00 H new ATOM 0 HB3 SER A 744 6.728 2.004 10.914 1.00 0.00 H new ATOM 0 HG SER A 744 8.982 1.458 10.946 1.00 0.00 H new ATOM 54 N GLU A 745 5.699 4.025 8.867 1.00 0.00 N ATOM 55 CA GLU A 745 5.238 5.293 8.310 1.00 0.00 C ATOM 56 C GLU A 745 6.217 5.824 7.269 1.00 0.00 C ATOM 57 O GLU A 745 5.814 6.277 6.198 1.00 0.00 O ATOM 58 CB GLU A 745 5.045 6.326 9.420 1.00 0.00 C ATOM 59 CG GLU A 745 4.216 7.525 8.990 1.00 0.00 C ATOM 60 CD GLU A 745 3.121 7.865 9.982 1.00 0.00 C ATOM 61 OE1 GLU A 745 2.395 6.940 10.405 1.00 0.00 O ATOM 62 OE2 GLU A 745 2.989 9.056 10.335 1.00 0.00 O ATOM 0 H GLU A 745 5.717 3.992 9.886 1.00 0.00 H new ATOM 0 HA GLU A 745 4.281 5.114 7.821 1.00 0.00 H new ATOM 0 HB2 GLU A 745 4.563 5.847 10.272 1.00 0.00 H new ATOM 0 HB3 GLU A 745 6.022 6.671 9.759 1.00 0.00 H new ATOM 0 HG2 GLU A 745 4.870 8.388 8.867 1.00 0.00 H new ATOM 0 HG3 GLU A 745 3.769 7.322 8.017 1.00 0.00 H new ATOM 69 N ASP A 746 7.504 5.761 7.588 1.00 0.00 N ATOM 70 CA ASP A 746 8.536 6.233 6.672 1.00 0.00 C ATOM 71 C ASP A 746 9.595 5.159 6.443 1.00 0.00 C ATOM 72 O ASP A 746 10.544 5.026 7.216 1.00 0.00 O ATOM 73 CB ASP A 746 9.189 7.504 7.220 1.00 0.00 C ATOM 74 CG ASP A 746 8.593 8.762 6.619 1.00 0.00 C ATOM 75 OD1 ASP A 746 7.385 8.756 6.306 1.00 0.00 O ATOM 76 OD2 ASP A 746 9.337 9.753 6.460 1.00 0.00 O ATOM 0 H ASP A 746 7.857 5.390 8.470 1.00 0.00 H new ATOM 0 HA ASP A 746 8.063 6.458 5.716 1.00 0.00 H new ATOM 0 HB2 ASP A 746 9.073 7.531 8.303 1.00 0.00 H new ATOM 0 HB3 ASP A 746 10.259 7.478 7.015 1.00 0.00 H new ATOM 81 N ASP A 747 9.426 4.404 5.363 1.00 0.00 N ATOM 82 CA ASP A 747 10.360 3.344 5.001 1.00 0.00 C ATOM 83 C ASP A 747 10.916 3.579 3.598 1.00 0.00 C ATOM 84 O ASP A 747 10.198 4.043 2.713 1.00 0.00 O ATOM 85 CB ASP A 747 9.666 1.981 5.069 1.00 0.00 C ATOM 86 CG ASP A 747 10.599 0.831 4.740 1.00 0.00 C ATOM 87 OD1 ASP A 747 10.889 0.628 3.542 1.00 0.00 O ATOM 88 OD2 ASP A 747 11.040 0.136 5.679 1.00 0.00 O ATOM 0 H ASP A 747 8.643 4.508 4.718 1.00 0.00 H new ATOM 0 HA ASP A 747 11.187 3.355 5.711 1.00 0.00 H new ATOM 0 HB2 ASP A 747 9.256 1.836 6.069 1.00 0.00 H new ATOM 0 HB3 ASP A 747 8.825 1.971 4.375 1.00 0.00 H new ATOM 93 N PRO A 748 12.207 3.259 3.373 1.00 0.00 N ATOM 94 CA PRO A 748 12.861 3.435 2.072 1.00 0.00 C ATOM 95 C PRO A 748 11.952 3.154 0.878 1.00 0.00 C ATOM 96 O PRO A 748 12.142 3.727 -0.196 1.00 0.00 O ATOM 97 CB PRO A 748 13.988 2.409 2.139 1.00 0.00 C ATOM 98 CG PRO A 748 14.391 2.402 3.574 1.00 0.00 C ATOM 99 CD PRO A 748 13.143 2.701 4.371 1.00 0.00 C ATOM 0 HA PRO A 748 13.180 4.465 1.915 1.00 0.00 H new ATOM 0 HB2 PRO A 748 13.650 1.425 1.815 1.00 0.00 H new ATOM 0 HB3 PRO A 748 14.820 2.689 1.493 1.00 0.00 H new ATOM 0 HG2 PRO A 748 14.809 1.435 3.855 1.00 0.00 H new ATOM 0 HG3 PRO A 748 15.161 3.149 3.764 1.00 0.00 H new ATOM 0 HD2 PRO A 748 12.741 1.801 4.836 1.00 0.00 H new ATOM 0 HD3 PRO A 748 13.342 3.412 5.173 1.00 0.00 H new ATOM 107 N LEU A 749 10.976 2.268 1.052 1.00 0.00 N ATOM 108 CA LEU A 749 10.072 1.932 -0.041 1.00 0.00 C ATOM 109 C LEU A 749 8.612 2.243 0.286 1.00 0.00 C ATOM 110 O LEU A 749 7.783 2.327 -0.621 1.00 0.00 O ATOM 111 CB LEU A 749 10.219 0.450 -0.385 1.00 0.00 C ATOM 112 CG LEU A 749 11.598 0.052 -0.911 1.00 0.00 C ATOM 113 CD1 LEU A 749 11.827 -1.443 -0.750 1.00 0.00 C ATOM 114 CD2 LEU A 749 11.749 0.467 -2.364 1.00 0.00 C ATOM 0 H LEU A 749 10.793 1.776 1.927 1.00 0.00 H new ATOM 0 HA LEU A 749 10.348 2.551 -0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 749 10.000 -0.139 0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 749 9.470 0.188 -1.132 1.00 0.00 H new ATOM 0 HG LEU A 749 12.354 0.573 -0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 749 12.815 -1.703 -1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 749 11.764 -1.709 0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 749 11.067 -1.990 -1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 749 12.736 0.177 -2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 749 10.984 -0.025 -2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 749 11.635 1.548 -2.447 1.00 0.00 H new ATOM 126 N TYR A 750 8.291 2.426 1.566 1.00 0.00 N ATOM 127 CA TYR A 750 6.911 2.723 1.949 1.00 0.00 C ATOM 128 C TYR A 750 6.383 3.921 1.177 1.00 0.00 C ATOM 129 O TYR A 750 5.293 3.871 0.626 1.00 0.00 O ATOM 130 CB TYR A 750 6.784 2.976 3.448 1.00 0.00 C ATOM 131 CG TYR A 750 5.381 3.348 3.883 1.00 0.00 C ATOM 132 CD1 TYR A 750 4.965 4.676 3.920 1.00 0.00 C ATOM 133 CD2 TYR A 750 4.475 2.369 4.270 1.00 0.00 C ATOM 134 CE1 TYR A 750 3.691 5.012 4.332 1.00 0.00 C ATOM 135 CE2 TYR A 750 3.197 2.698 4.676 1.00 0.00 C ATOM 136 CZ TYR A 750 2.811 4.020 4.707 1.00 0.00 C ATOM 137 OH TYR A 750 1.541 4.351 5.117 1.00 0.00 O ATOM 0 H TYR A 750 8.952 2.375 2.341 1.00 0.00 H new ATOM 0 HA TYR A 750 6.312 1.847 1.701 1.00 0.00 H new ATOM 0 HB2 TYR A 750 7.098 2.082 3.987 1.00 0.00 H new ATOM 0 HB3 TYR A 750 7.468 3.776 3.732 1.00 0.00 H new ATOM 0 HD1 TYR A 750 5.650 5.456 3.622 1.00 0.00 H new ATOM 0 HD2 TYR A 750 4.776 1.332 4.253 1.00 0.00 H new ATOM 0 HE1 TYR A 750 3.385 6.047 4.360 1.00 0.00 H new ATOM 0 HE2 TYR A 750 2.504 1.923 4.968 1.00 0.00 H new ATOM 0 HH TYR A 750 1.500 5.310 5.314 1.00 0.00 H new ATOM 147 N ASP A 751 7.161 4.994 1.127 1.00 0.00 N ATOM 148 CA ASP A 751 6.742 6.181 0.397 1.00 0.00 C ATOM 149 C ASP A 751 6.364 5.797 -1.027 1.00 0.00 C ATOM 150 O ASP A 751 5.402 6.318 -1.595 1.00 0.00 O ATOM 151 CB ASP A 751 7.859 7.226 0.380 1.00 0.00 C ATOM 152 CG ASP A 751 7.424 8.524 -0.272 1.00 0.00 C ATOM 153 OD1 ASP A 751 7.213 8.528 -1.503 1.00 0.00 O ATOM 154 OD2 ASP A 751 7.291 9.535 0.449 1.00 0.00 O ATOM 0 H ASP A 751 8.074 5.067 1.577 1.00 0.00 H new ATOM 0 HA ASP A 751 5.876 6.614 0.897 1.00 0.00 H new ATOM 0 HB2 ASP A 751 8.182 7.426 1.402 1.00 0.00 H new ATOM 0 HB3 ASP A 751 8.720 6.825 -0.154 1.00 0.00 H new ATOM 159 N GLU A 752 7.117 4.855 -1.588 1.00 0.00 N ATOM 160 CA GLU A 752 6.857 4.368 -2.932 1.00 0.00 C ATOM 161 C GLU A 752 5.583 3.530 -2.948 1.00 0.00 C ATOM 162 O GLU A 752 4.745 3.664 -3.838 1.00 0.00 O ATOM 163 CB GLU A 752 8.047 3.554 -3.435 1.00 0.00 C ATOM 164 CG GLU A 752 8.049 3.335 -4.939 1.00 0.00 C ATOM 165 CD GLU A 752 9.441 3.078 -5.486 1.00 0.00 C ATOM 166 OE1 GLU A 752 10.211 4.051 -5.632 1.00 0.00 O ATOM 167 OE2 GLU A 752 9.761 1.905 -5.772 1.00 0.00 O ATOM 0 H GLU A 752 7.914 4.415 -1.128 1.00 0.00 H new ATOM 0 HA GLU A 752 6.717 5.219 -3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 752 8.969 4.061 -3.150 1.00 0.00 H new ATOM 0 HB3 GLU A 752 8.049 2.585 -2.936 1.00 0.00 H new ATOM 0 HG2 GLU A 752 7.405 2.489 -5.181 1.00 0.00 H new ATOM 0 HG3 GLU A 752 7.624 4.210 -5.431 1.00 0.00 H new ATOM 174 N ALA A 753 5.443 2.672 -1.939 1.00 0.00 N ATOM 175 CA ALA A 753 4.270 1.814 -1.811 1.00 0.00 C ATOM 176 C ALA A 753 3.011 2.660 -1.705 1.00 0.00 C ATOM 177 O ALA A 753 2.073 2.495 -2.478 1.00 0.00 O ATOM 178 CB ALA A 753 4.405 0.910 -0.594 1.00 0.00 C ATOM 0 H ALA A 753 6.132 2.554 -1.196 1.00 0.00 H new ATOM 0 HA ALA A 753 4.196 1.188 -2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 753 3.522 0.276 -0.512 1.00 0.00 H new ATOM 0 HB2 ALA A 753 5.292 0.285 -0.701 1.00 0.00 H new ATOM 0 HB3 ALA A 753 4.498 1.520 0.304 1.00 0.00 H new ATOM 184 N VAL A 754 3.012 3.576 -0.744 1.00 0.00 N ATOM 185 CA VAL A 754 1.888 4.474 -0.524 1.00 0.00 C ATOM 186 C VAL A 754 1.575 5.244 -1.799 1.00 0.00 C ATOM 187 O VAL A 754 0.412 5.423 -2.161 1.00 0.00 O ATOM 188 CB VAL A 754 2.204 5.449 0.633 1.00 0.00 C ATOM 189 CG1 VAL A 754 1.353 6.705 0.571 1.00 0.00 C ATOM 190 CG2 VAL A 754 2.011 4.746 1.960 1.00 0.00 C ATOM 0 H VAL A 754 3.789 3.716 -0.098 1.00 0.00 H new ATOM 0 HA VAL A 754 1.013 3.884 -0.251 1.00 0.00 H new ATOM 0 HB VAL A 754 3.243 5.761 0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 754 1.610 7.360 1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 754 1.538 7.224 -0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 754 0.299 6.434 0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 754 2.235 5.436 2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 754 0.979 4.407 2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 754 2.681 3.888 2.018 1.00 0.00 H new ATOM 200 N ARG A 755 2.624 5.674 -2.487 1.00 0.00 N ATOM 201 CA ARG A 755 2.469 6.397 -3.739 1.00 0.00 C ATOM 202 C ARG A 755 1.864 5.473 -4.790 1.00 0.00 C ATOM 203 O ARG A 755 1.060 5.893 -5.624 1.00 0.00 O ATOM 204 CB ARG A 755 3.827 6.919 -4.210 1.00 0.00 C ATOM 205 CG ARG A 755 3.743 7.926 -5.344 1.00 0.00 C ATOM 206 CD ARG A 755 5.130 8.327 -5.821 1.00 0.00 C ATOM 207 NE ARG A 755 5.092 9.017 -7.109 1.00 0.00 N ATOM 208 CZ ARG A 755 5.071 10.342 -7.244 1.00 0.00 C ATOM 209 NH1 ARG A 755 5.060 11.130 -6.175 1.00 0.00 N ATOM 210 NH2 ARG A 755 5.055 10.881 -8.455 1.00 0.00 N ATOM 0 H ARG A 755 3.592 5.534 -2.198 1.00 0.00 H new ATOM 0 HA ARG A 755 1.803 7.246 -3.587 1.00 0.00 H new ATOM 0 HB2 ARG A 755 4.340 7.380 -3.366 1.00 0.00 H new ATOM 0 HB3 ARG A 755 4.437 6.075 -4.532 1.00 0.00 H new ATOM 0 HG2 ARG A 755 3.179 7.499 -6.173 1.00 0.00 H new ATOM 0 HG3 ARG A 755 3.200 8.810 -5.010 1.00 0.00 H new ATOM 0 HD2 ARG A 755 5.595 8.974 -5.077 1.00 0.00 H new ATOM 0 HD3 ARG A 755 5.755 7.438 -5.905 1.00 0.00 H new ATOM 0 HE ARG A 755 5.081 8.449 -7.956 1.00 0.00 H new ATOM 0 HH11 ARG A 755 5.068 10.722 -5.240 1.00 0.00 H new ATOM 0 HH12 ARG A 755 5.044 12.144 -6.289 1.00 0.00 H new ATOM 0 HH21 ARG A 755 5.059 10.281 -9.280 1.00 0.00 H new ATOM 0 HH22 ARG A 755 5.039 11.895 -8.562 1.00 0.00 H new ATOM 224 N PHE A 756 2.261 4.204 -4.727 1.00 0.00 N ATOM 225 CA PHE A 756 1.775 3.187 -5.652 1.00 0.00 C ATOM 226 C PHE A 756 0.300 2.871 -5.388 1.00 0.00 C ATOM 227 O PHE A 756 -0.498 2.772 -6.319 1.00 0.00 O ATOM 228 CB PHE A 756 2.631 1.918 -5.519 1.00 0.00 C ATOM 229 CG PHE A 756 1.908 0.649 -5.868 1.00 0.00 C ATOM 230 CD1 PHE A 756 1.205 -0.046 -4.900 1.00 0.00 C ATOM 231 CD2 PHE A 756 1.929 0.153 -7.163 1.00 0.00 C ATOM 232 CE1 PHE A 756 0.537 -1.212 -5.214 1.00 0.00 C ATOM 233 CE2 PHE A 756 1.262 -1.013 -7.478 1.00 0.00 C ATOM 234 CZ PHE A 756 0.566 -1.694 -6.504 1.00 0.00 C ATOM 0 H PHE A 756 2.925 3.855 -4.036 1.00 0.00 H new ATOM 0 HA PHE A 756 1.858 3.568 -6.670 1.00 0.00 H new ATOM 0 HB2 PHE A 756 3.505 2.014 -6.163 1.00 0.00 H new ATOM 0 HB3 PHE A 756 2.996 1.845 -4.495 1.00 0.00 H new ATOM 0 HD1 PHE A 756 1.179 0.328 -3.887 1.00 0.00 H new ATOM 0 HD2 PHE A 756 2.472 0.684 -7.931 1.00 0.00 H new ATOM 0 HE1 PHE A 756 -0.008 -1.746 -4.449 1.00 0.00 H new ATOM 0 HE2 PHE A 756 1.286 -1.392 -8.489 1.00 0.00 H new ATOM 0 HZ PHE A 756 0.043 -2.606 -6.752 1.00 0.00 H new ATOM 244 N VAL A 757 -0.051 2.710 -4.114 1.00 0.00 N ATOM 245 CA VAL A 757 -1.418 2.404 -3.732 1.00 0.00 C ATOM 246 C VAL A 757 -2.327 3.602 -3.973 1.00 0.00 C ATOM 247 O VAL A 757 -3.465 3.455 -4.421 1.00 0.00 O ATOM 248 CB VAL A 757 -1.501 1.990 -2.250 1.00 0.00 C ATOM 249 CG1 VAL A 757 -2.928 1.642 -1.870 1.00 0.00 C ATOM 250 CG2 VAL A 757 -0.568 0.822 -1.972 1.00 0.00 C ATOM 0 H VAL A 757 0.598 2.788 -3.331 1.00 0.00 H new ATOM 0 HA VAL A 757 -1.751 1.570 -4.350 1.00 0.00 H new ATOM 0 HB VAL A 757 -1.185 2.834 -1.638 1.00 0.00 H new ATOM 0 HG11 VAL A 757 -2.965 1.352 -0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 757 -3.569 2.509 -2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 757 -3.277 0.814 -2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 757 -0.639 0.542 -0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 757 -0.853 -0.027 -2.594 1.00 0.00 H new ATOM 0 HG23 VAL A 757 0.457 1.112 -2.202 1.00 0.00 H new ATOM 260 N THR A 758 -1.814 4.789 -3.674 1.00 0.00 N ATOM 261 CA THR A 758 -2.570 6.018 -3.856 1.00 0.00 C ATOM 262 C THR A 758 -2.907 6.234 -5.329 1.00 0.00 C ATOM 263 O THR A 758 -4.036 6.584 -5.672 1.00 0.00 O ATOM 264 CB THR A 758 -1.776 7.208 -3.320 1.00 0.00 C ATOM 265 OG1 THR A 758 -0.421 7.131 -3.727 1.00 0.00 O ATOM 266 CG2 THR A 758 -1.799 7.307 -1.810 1.00 0.00 C ATOM 0 H THR A 758 -0.874 4.925 -3.303 1.00 0.00 H new ATOM 0 HA THR A 758 -3.503 5.932 -3.299 1.00 0.00 H new ATOM 0 HB THR A 758 -2.261 8.092 -3.734 1.00 0.00 H new ATOM 0 HG1 THR A 758 0.118 6.752 -3.001 1.00 0.00 H new ATOM 0 HG21 THR A 758 -1.217 8.172 -1.493 1.00 0.00 H new ATOM 0 HG22 THR A 758 -2.828 7.417 -1.468 1.00 0.00 H new ATOM 0 HG23 THR A 758 -1.368 6.403 -1.380 1.00 0.00 H new ATOM 274 N GLU A 759 -1.920 6.024 -6.195 1.00 0.00 N ATOM 275 CA GLU A 759 -2.113 6.196 -7.630 1.00 0.00 C ATOM 276 C GLU A 759 -2.835 4.996 -8.237 1.00 0.00 C ATOM 277 O GLU A 759 -3.602 5.137 -9.189 1.00 0.00 O ATOM 278 CB GLU A 759 -0.767 6.399 -8.324 1.00 0.00 C ATOM 279 CG GLU A 759 -0.819 7.396 -9.469 1.00 0.00 C ATOM 280 CD GLU A 759 0.535 7.609 -10.117 1.00 0.00 C ATOM 281 OE1 GLU A 759 1.467 8.053 -9.414 1.00 0.00 O ATOM 282 OE2 GLU A 759 0.663 7.332 -11.328 1.00 0.00 O ATOM 0 H GLU A 759 -0.979 5.735 -5.928 1.00 0.00 H new ATOM 0 HA GLU A 759 -2.732 7.080 -7.782 1.00 0.00 H new ATOM 0 HB2 GLU A 759 -0.036 6.739 -7.590 1.00 0.00 H new ATOM 0 HB3 GLU A 759 -0.415 5.440 -8.704 1.00 0.00 H new ATOM 0 HG2 GLU A 759 -1.526 7.045 -10.220 1.00 0.00 H new ATOM 0 HG3 GLU A 759 -1.195 8.350 -9.099 1.00 0.00 H new ATOM 289 N SER A 760 -2.582 3.814 -7.682 1.00 0.00 N ATOM 290 CA SER A 760 -3.206 2.588 -8.172 1.00 0.00 C ATOM 291 C SER A 760 -4.667 2.495 -7.732 1.00 0.00 C ATOM 292 O SER A 760 -5.435 1.697 -8.270 1.00 0.00 O ATOM 293 CB SER A 760 -2.433 1.365 -7.674 1.00 0.00 C ATOM 294 OG SER A 760 -2.509 1.255 -6.265 1.00 0.00 O ATOM 0 H SER A 760 -1.950 3.679 -6.893 1.00 0.00 H new ATOM 0 HA SER A 760 -3.179 2.612 -9.261 1.00 0.00 H new ATOM 0 HB2 SER A 760 -2.836 0.463 -8.135 1.00 0.00 H new ATOM 0 HB3 SER A 760 -1.390 1.440 -7.981 1.00 0.00 H new ATOM 0 HG SER A 760 -2.911 0.394 -6.025 1.00 0.00 H new ATOM 300 N ARG A 761 -5.045 3.312 -6.751 1.00 0.00 N ATOM 301 CA ARG A 761 -6.412 3.321 -6.241 1.00 0.00 C ATOM 302 C ARG A 761 -6.783 1.977 -5.614 1.00 0.00 C ATOM 303 O ARG A 761 -7.961 1.681 -5.411 1.00 0.00 O ATOM 304 CB ARG A 761 -7.395 3.669 -7.362 1.00 0.00 C ATOM 305 CG ARG A 761 -7.318 5.120 -7.805 1.00 0.00 C ATOM 306 CD ARG A 761 -7.662 6.071 -6.669 1.00 0.00 C ATOM 307 NE ARG A 761 -8.280 7.303 -7.154 1.00 0.00 N ATOM 308 CZ ARG A 761 -8.332 8.434 -6.455 1.00 0.00 C ATOM 309 NH1 ARG A 761 -7.812 8.494 -5.235 1.00 0.00 N ATOM 310 NH2 ARG A 761 -8.907 9.509 -6.976 1.00 0.00 N ATOM 0 H ARG A 761 -4.422 3.977 -6.293 1.00 0.00 H new ATOM 0 HA ARG A 761 -6.472 4.083 -5.464 1.00 0.00 H new ATOM 0 HB2 ARG A 761 -7.200 3.025 -8.219 1.00 0.00 H new ATOM 0 HB3 ARG A 761 -8.409 3.453 -7.026 1.00 0.00 H new ATOM 0 HG2 ARG A 761 -6.314 5.337 -8.170 1.00 0.00 H new ATOM 0 HG3 ARG A 761 -8.002 5.284 -8.637 1.00 0.00 H new ATOM 0 HD2 ARG A 761 -8.339 5.575 -5.974 1.00 0.00 H new ATOM 0 HD3 ARG A 761 -6.756 6.314 -6.113 1.00 0.00 H new ATOM 0 HE ARG A 761 -8.697 7.296 -8.085 1.00 0.00 H new ATOM 0 HH11 ARG A 761 -7.369 7.670 -4.828 1.00 0.00 H new ATOM 0 HH12 ARG A 761 -7.855 9.364 -4.704 1.00 0.00 H new ATOM 0 HH21 ARG A 761 -9.309 9.469 -7.912 1.00 0.00 H new ATOM 0 HH22 ARG A 761 -8.947 10.376 -6.440 1.00 0.00 H new ATOM 324 N ARG A 762 -5.773 1.170 -5.300 1.00 0.00 N ATOM 325 CA ARG A 762 -5.993 -0.134 -4.688 1.00 0.00 C ATOM 326 C ARG A 762 -4.757 -0.576 -3.908 1.00 0.00 C ATOM 327 O ARG A 762 -3.629 -0.362 -4.348 1.00 0.00 O ATOM 328 CB ARG A 762 -6.346 -1.168 -5.758 1.00 0.00 C ATOM 329 CG ARG A 762 -5.178 -1.554 -6.653 1.00 0.00 C ATOM 330 CD ARG A 762 -5.614 -1.727 -8.099 1.00 0.00 C ATOM 331 NE ARG A 762 -4.515 -1.496 -9.033 1.00 0.00 N ATOM 332 CZ ARG A 762 -4.588 -1.746 -10.339 1.00 0.00 C ATOM 333 NH1 ARG A 762 -5.703 -2.231 -10.868 1.00 0.00 N ATOM 334 NH2 ARG A 762 -3.541 -1.507 -11.119 1.00 0.00 N ATOM 0 H ARG A 762 -4.792 1.399 -5.461 1.00 0.00 H new ATOM 0 HA ARG A 762 -6.828 -0.053 -3.992 1.00 0.00 H new ATOM 0 HB2 ARG A 762 -6.729 -2.065 -5.270 1.00 0.00 H new ATOM 0 HB3 ARG A 762 -7.151 -0.774 -6.378 1.00 0.00 H new ATOM 0 HG2 ARG A 762 -4.405 -0.787 -6.595 1.00 0.00 H new ATOM 0 HG3 ARG A 762 -4.734 -2.482 -6.293 1.00 0.00 H new ATOM 0 HD2 ARG A 762 -6.005 -2.734 -8.242 1.00 0.00 H new ATOM 0 HD3 ARG A 762 -6.427 -1.035 -8.318 1.00 0.00 H new ATOM 0 HE ARG A 762 -3.641 -1.122 -8.664 1.00 0.00 H new ATOM 0 HH11 ARG A 762 -6.511 -2.415 -10.274 1.00 0.00 H new ATOM 0 HH12 ARG A 762 -5.752 -2.420 -11.869 1.00 0.00 H new ATOM 0 HH21 ARG A 762 -2.681 -1.132 -10.718 1.00 0.00 H new ATOM 0 HH22 ARG A 762 -3.596 -1.698 -12.119 1.00 0.00 H new ATOM 348 N ALA A 763 -4.976 -1.186 -2.747 1.00 0.00 N ATOM 349 CA ALA A 763 -3.872 -1.642 -1.914 1.00 0.00 C ATOM 350 C ALA A 763 -3.711 -3.157 -1.973 1.00 0.00 C ATOM 351 O ALA A 763 -4.274 -3.884 -1.158 1.00 0.00 O ATOM 352 CB ALA A 763 -4.085 -1.199 -0.474 1.00 0.00 C ATOM 0 H ALA A 763 -5.903 -1.374 -2.365 1.00 0.00 H new ATOM 0 HA ALA A 763 -2.958 -1.193 -2.301 1.00 0.00 H new ATOM 0 HB1 ALA A 763 -3.254 -1.545 0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 763 -4.138 -0.111 -0.432 1.00 0.00 H new ATOM 0 HB3 ALA A 763 -5.016 -1.623 -0.097 1.00 0.00 H new ATOM 358 N SER A 764 -2.912 -3.623 -2.923 1.00 0.00 N ATOM 359 CA SER A 764 -2.651 -5.050 -3.063 1.00 0.00 C ATOM 360 C SER A 764 -1.166 -5.304 -2.878 1.00 0.00 C ATOM 361 O SER A 764 -0.347 -4.791 -3.631 1.00 0.00 O ATOM 362 CB SER A 764 -3.107 -5.548 -4.436 1.00 0.00 C ATOM 363 OG SER A 764 -4.327 -4.938 -4.821 1.00 0.00 O ATOM 0 H SER A 764 -2.434 -3.036 -3.607 1.00 0.00 H new ATOM 0 HA SER A 764 -3.212 -5.594 -2.303 1.00 0.00 H new ATOM 0 HB2 SER A 764 -2.339 -5.332 -5.178 1.00 0.00 H new ATOM 0 HB3 SER A 764 -3.230 -6.631 -4.411 1.00 0.00 H new ATOM 0 HG SER A 764 -4.596 -5.272 -5.702 1.00 0.00 H new ATOM 369 N ILE A 765 -0.824 -6.086 -1.867 1.00 0.00 N ATOM 370 CA ILE A 765 0.573 -6.380 -1.580 1.00 0.00 C ATOM 371 C ILE A 765 1.281 -6.972 -2.792 1.00 0.00 C ATOM 372 O ILE A 765 2.374 -6.535 -3.155 1.00 0.00 O ATOM 373 CB ILE A 765 0.724 -7.336 -0.387 1.00 0.00 C ATOM 374 CG1 ILE A 765 -0.141 -6.875 0.791 1.00 0.00 C ATOM 375 CG2 ILE A 765 2.184 -7.419 0.021 1.00 0.00 C ATOM 376 CD1 ILE A 765 -0.627 -8.012 1.663 1.00 0.00 C ATOM 0 H ILE A 765 -1.490 -6.527 -1.233 1.00 0.00 H new ATOM 0 HA ILE A 765 1.039 -5.428 -1.326 1.00 0.00 H new ATOM 0 HB ILE A 765 0.383 -8.327 -0.685 1.00 0.00 H new ATOM 0 HG12 ILE A 765 0.433 -6.178 1.402 1.00 0.00 H new ATOM 0 HG13 ILE A 765 -1.002 -6.328 0.407 1.00 0.00 H new ATOM 0 HG21 ILE A 765 2.287 -8.098 0.867 1.00 0.00 H new ATOM 0 HG22 ILE A 765 2.775 -7.790 -0.816 1.00 0.00 H new ATOM 0 HG23 ILE A 765 2.539 -6.428 0.305 1.00 0.00 H new ATOM 0 HD11 ILE A 765 -1.233 -7.613 2.477 1.00 0.00 H new ATOM 0 HD12 ILE A 765 -1.228 -8.698 1.065 1.00 0.00 H new ATOM 0 HD13 ILE A 765 0.229 -8.545 2.076 1.00 0.00 H new ATOM 388 N SER A 766 0.657 -7.959 -3.421 1.00 0.00 N ATOM 389 CA SER A 766 1.239 -8.593 -4.597 1.00 0.00 C ATOM 390 C SER A 766 1.505 -7.554 -5.680 1.00 0.00 C ATOM 391 O SER A 766 2.528 -7.596 -6.366 1.00 0.00 O ATOM 392 CB SER A 766 0.311 -9.687 -5.128 1.00 0.00 C ATOM 393 OG SER A 766 0.874 -10.345 -6.252 1.00 0.00 O ATOM 0 H SER A 766 -0.248 -8.337 -3.139 1.00 0.00 H new ATOM 0 HA SER A 766 2.186 -9.050 -4.311 1.00 0.00 H new ATOM 0 HB2 SER A 766 0.115 -10.414 -4.340 1.00 0.00 H new ATOM 0 HB3 SER A 766 -0.649 -9.250 -5.404 1.00 0.00 H new ATOM 0 HG SER A 766 0.258 -11.039 -6.567 1.00 0.00 H new ATOM 399 N ALA A 767 0.582 -6.612 -5.816 1.00 0.00 N ATOM 400 CA ALA A 767 0.717 -5.550 -6.801 1.00 0.00 C ATOM 401 C ALA A 767 1.802 -4.566 -6.378 1.00 0.00 C ATOM 402 O ALA A 767 2.587 -4.101 -7.204 1.00 0.00 O ATOM 403 CB ALA A 767 -0.614 -4.844 -7.004 1.00 0.00 C ATOM 0 H ALA A 767 -0.269 -6.562 -5.256 1.00 0.00 H new ATOM 0 HA ALA A 767 1.015 -5.990 -7.753 1.00 0.00 H new ATOM 0 HB1 ALA A 767 -0.497 -4.052 -7.744 1.00 0.00 H new ATOM 0 HB2 ALA A 767 -1.356 -5.561 -7.355 1.00 0.00 H new ATOM 0 HB3 ALA A 767 -0.945 -4.412 -6.059 1.00 0.00 H new ATOM 409 N VAL A 768 1.856 -4.269 -5.081 1.00 0.00 N ATOM 410 CA VAL A 768 2.867 -3.360 -4.556 1.00 0.00 C ATOM 411 C VAL A 768 4.253 -3.929 -4.799 1.00 0.00 C ATOM 412 O VAL A 768 5.143 -3.233 -5.278 1.00 0.00 O ATOM 413 CB VAL A 768 2.712 -3.109 -3.040 1.00 0.00 C ATOM 414 CG1 VAL A 768 3.734 -2.091 -2.559 1.00 0.00 C ATOM 415 CG2 VAL A 768 1.315 -2.637 -2.705 1.00 0.00 C ATOM 0 H VAL A 768 1.216 -4.643 -4.381 1.00 0.00 H new ATOM 0 HA VAL A 768 2.732 -2.413 -5.078 1.00 0.00 H new ATOM 0 HB VAL A 768 2.887 -4.055 -2.528 1.00 0.00 H new ATOM 0 HG11 VAL A 768 3.609 -1.928 -1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 768 4.739 -2.465 -2.754 1.00 0.00 H new ATOM 0 HG13 VAL A 768 3.588 -1.150 -3.089 1.00 0.00 H new ATOM 0 HG21 VAL A 768 1.236 -2.469 -1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 768 1.108 -1.707 -3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 768 0.592 -3.395 -3.008 1.00 0.00 H new ATOM 425 N GLN A 769 4.432 -5.201 -4.460 1.00 0.00 N ATOM 426 CA GLN A 769 5.718 -5.851 -4.640 1.00 0.00 C ATOM 427 C GLN A 769 6.068 -5.959 -6.115 1.00 0.00 C ATOM 428 O GLN A 769 7.238 -5.883 -6.490 1.00 0.00 O ATOM 429 CB GLN A 769 5.731 -7.235 -3.982 1.00 0.00 C ATOM 430 CG GLN A 769 4.805 -8.239 -4.646 1.00 0.00 C ATOM 431 CD GLN A 769 5.477 -9.575 -4.899 1.00 0.00 C ATOM 432 OE1 GLN A 769 5.746 -10.311 -3.830 1.00 0.00 O flip ATOM 433 NE2 GLN A 769 5.750 -9.939 -6.043 1.00 0.00 N flip ATOM 0 H GLN A 769 3.706 -5.796 -4.062 1.00 0.00 H new ATOM 0 HA GLN A 769 6.474 -5.236 -4.152 1.00 0.00 H new ATOM 0 HB2 GLN A 769 6.748 -7.626 -4.000 1.00 0.00 H new ATOM 0 HB3 GLN A 769 5.448 -7.131 -2.934 1.00 0.00 H new ATOM 0 HG2 GLN A 769 3.929 -8.391 -4.016 1.00 0.00 H new ATOM 0 HG3 GLN A 769 4.450 -7.830 -5.592 1.00 0.00 H new ATOM 0 HE21 GLN A 769 5.524 -9.339 -6.837 1.00 0.00 H new ATOM 0 HE22 GLN A 769 6.202 -10.840 -6.197 1.00 0.00 H new ATOM 442 N ARG A 770 5.045 -6.133 -6.945 1.00 0.00 N ATOM 443 CA ARG A 770 5.236 -6.247 -8.383 1.00 0.00 C ATOM 444 C ARG A 770 5.660 -4.911 -8.990 1.00 0.00 C ATOM 445 O ARG A 770 6.535 -4.861 -9.855 1.00 0.00 O ATOM 446 CB ARG A 770 3.945 -6.740 -9.040 1.00 0.00 C ATOM 447 CG ARG A 770 3.974 -8.214 -9.409 1.00 0.00 C ATOM 448 CD ARG A 770 2.858 -8.569 -10.379 1.00 0.00 C ATOM 449 NE ARG A 770 2.838 -9.996 -10.691 1.00 0.00 N ATOM 450 CZ ARG A 770 2.145 -10.528 -11.696 1.00 0.00 C ATOM 451 NH1 ARG A 770 1.416 -9.754 -12.491 1.00 0.00 N ATOM 452 NH2 ARG A 770 2.183 -11.836 -11.908 1.00 0.00 N ATOM 0 H ARG A 770 4.073 -6.198 -6.643 1.00 0.00 H new ATOM 0 HA ARG A 770 6.033 -6.968 -8.567 1.00 0.00 H new ATOM 0 HB2 ARG A 770 3.111 -6.560 -8.362 1.00 0.00 H new ATOM 0 HB3 ARG A 770 3.758 -6.153 -9.939 1.00 0.00 H new ATOM 0 HG2 ARG A 770 4.937 -8.459 -9.856 1.00 0.00 H new ATOM 0 HG3 ARG A 770 3.879 -8.818 -8.507 1.00 0.00 H new ATOM 0 HD2 ARG A 770 1.899 -8.278 -9.951 1.00 0.00 H new ATOM 0 HD3 ARG A 770 2.982 -7.998 -11.299 1.00 0.00 H new ATOM 0 HE ARG A 770 3.388 -10.623 -10.104 1.00 0.00 H new ATOM 0 HH11 ARG A 770 1.385 -8.747 -12.333 1.00 0.00 H new ATOM 0 HH12 ARG A 770 0.887 -10.167 -13.259 1.00 0.00 H new ATOM 0 HH21 ARG A 770 2.743 -12.435 -11.301 1.00 0.00 H new ATOM 0 HH22 ARG A 770 1.652 -12.244 -12.678 1.00 0.00 H new ATOM 466 N LYS A 771 5.030 -3.830 -8.536 1.00 0.00 N ATOM 467 CA LYS A 771 5.337 -2.493 -9.040 1.00 0.00 C ATOM 468 C LYS A 771 6.616 -1.939 -8.422 1.00 0.00 C ATOM 469 O LYS A 771 7.415 -1.293 -9.099 1.00 0.00 O ATOM 470 CB LYS A 771 4.174 -1.542 -8.758 1.00 0.00 C ATOM 471 CG LYS A 771 3.979 -0.484 -9.835 1.00 0.00 C ATOM 472 CD LYS A 771 2.756 -0.774 -10.690 1.00 0.00 C ATOM 473 CE LYS A 771 2.259 0.476 -11.397 1.00 0.00 C ATOM 474 NZ LYS A 771 0.915 0.271 -12.006 1.00 0.00 N ATOM 0 H LYS A 771 4.304 -3.853 -7.820 1.00 0.00 H new ATOM 0 HA LYS A 771 5.489 -2.574 -10.116 1.00 0.00 H new ATOM 0 HB2 LYS A 771 3.256 -2.122 -8.660 1.00 0.00 H new ATOM 0 HB3 LYS A 771 4.343 -1.048 -7.801 1.00 0.00 H new ATOM 0 HG2 LYS A 771 3.874 0.496 -9.369 1.00 0.00 H new ATOM 0 HG3 LYS A 771 4.865 -0.442 -10.469 1.00 0.00 H new ATOM 0 HD2 LYS A 771 3.000 -1.538 -11.428 1.00 0.00 H new ATOM 0 HD3 LYS A 771 1.961 -1.179 -10.064 1.00 0.00 H new ATOM 0 HE2 LYS A 771 2.214 1.301 -10.687 1.00 0.00 H new ATOM 0 HE3 LYS A 771 2.970 0.761 -12.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 0.611 1.146 -12.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 0.963 -0.500 -12.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 0.231 0.023 -11.263 1.00 0.00 H new ATOM 488 N LEU A 772 6.799 -2.186 -7.132 1.00 0.00 N ATOM 489 CA LEU A 772 7.978 -1.702 -6.419 1.00 0.00 C ATOM 490 C LEU A 772 9.147 -2.675 -6.510 1.00 0.00 C ATOM 491 O LEU A 772 10.261 -2.350 -6.098 1.00 0.00 O ATOM 492 CB LEU A 772 7.650 -1.444 -4.947 1.00 0.00 C ATOM 493 CG LEU A 772 7.525 0.030 -4.566 1.00 0.00 C ATOM 494 CD1 LEU A 772 6.069 0.458 -4.520 1.00 0.00 C ATOM 495 CD2 LEU A 772 8.194 0.288 -3.227 1.00 0.00 C ATOM 0 H LEU A 772 6.147 -2.719 -6.556 1.00 0.00 H new ATOM 0 HA LEU A 772 8.274 -0.770 -6.901 1.00 0.00 H new ATOM 0 HB2 LEU A 772 6.714 -1.948 -4.704 1.00 0.00 H new ATOM 0 HB3 LEU A 772 8.426 -1.899 -4.331 1.00 0.00 H new ATOM 0 HG LEU A 772 8.029 0.622 -5.330 1.00 0.00 H new ATOM 0 HD11 LEU A 772 6.008 1.511 -4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 772 5.615 0.311 -5.500 1.00 0.00 H new ATOM 0 HD13 LEU A 772 5.537 -0.140 -3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 772 8.097 1.343 -2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 772 7.716 -0.319 -2.458 1.00 0.00 H new ATOM 0 HD23 LEU A 772 9.250 0.026 -3.291 1.00 0.00 H new ATOM 507 N LYS A 773 8.899 -3.871 -7.027 1.00 0.00 N ATOM 508 CA LYS A 773 9.949 -4.872 -7.134 1.00 0.00 C ATOM 509 C LYS A 773 10.491 -5.203 -5.748 1.00 0.00 C ATOM 510 O LYS A 773 11.697 -5.358 -5.559 1.00 0.00 O ATOM 511 CB LYS A 773 11.082 -4.367 -8.033 1.00 0.00 C ATOM 512 CG LYS A 773 10.699 -4.272 -9.500 1.00 0.00 C ATOM 513 CD LYS A 773 11.676 -3.402 -10.273 1.00 0.00 C ATOM 514 CE LYS A 773 13.070 -4.008 -10.287 1.00 0.00 C ATOM 515 NZ LYS A 773 13.946 -3.371 -11.310 1.00 0.00 N ATOM 0 H LYS A 773 7.988 -4.169 -7.376 1.00 0.00 H new ATOM 0 HA LYS A 773 9.529 -5.774 -7.580 1.00 0.00 H new ATOM 0 HB2 LYS A 773 11.400 -3.384 -7.685 1.00 0.00 H new ATOM 0 HB3 LYS A 773 11.939 -5.033 -7.932 1.00 0.00 H new ATOM 0 HG2 LYS A 773 10.675 -5.270 -9.937 1.00 0.00 H new ATOM 0 HG3 LYS A 773 9.694 -3.860 -9.589 1.00 0.00 H new ATOM 0 HD2 LYS A 773 11.322 -3.277 -11.296 1.00 0.00 H new ATOM 0 HD3 LYS A 773 11.714 -2.409 -9.825 1.00 0.00 H new ATOM 0 HE2 LYS A 773 13.523 -3.897 -9.302 1.00 0.00 H new ATOM 0 HE3 LYS A 773 12.998 -5.077 -10.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 773 14.887 -3.814 -11.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 773 13.527 -3.499 -12.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 773 14.036 -2.355 -11.106 1.00 0.00 H new ATOM 529 N ILE A 774 9.583 -5.314 -4.781 1.00 0.00 N ATOM 530 CA ILE A 774 9.962 -5.628 -3.408 1.00 0.00 C ATOM 531 C ILE A 774 9.466 -7.018 -3.026 1.00 0.00 C ATOM 532 O ILE A 774 8.940 -7.748 -3.865 1.00 0.00 O ATOM 533 CB ILE A 774 9.403 -4.597 -2.396 1.00 0.00 C ATOM 534 CG1 ILE A 774 7.896 -4.431 -2.572 1.00 0.00 C ATOM 535 CG2 ILE A 774 10.107 -3.261 -2.554 1.00 0.00 C ATOM 536 CD1 ILE A 774 7.266 -3.444 -1.607 1.00 0.00 C ATOM 0 H ILE A 774 8.581 -5.191 -4.924 1.00 0.00 H new ATOM 0 HA ILE A 774 11.051 -5.592 -3.365 1.00 0.00 H new ATOM 0 HB ILE A 774 9.591 -4.970 -1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 774 7.694 -4.105 -3.592 1.00 0.00 H new ATOM 0 HG13 ILE A 774 7.417 -5.402 -2.447 1.00 0.00 H new ATOM 0 HG21 ILE A 774 9.702 -2.549 -1.835 1.00 0.00 H new ATOM 0 HG22 ILE A 774 11.175 -3.389 -2.375 1.00 0.00 H new ATOM 0 HG23 ILE A 774 9.951 -2.885 -3.565 1.00 0.00 H new ATOM 0 HD11 ILE A 774 6.194 -3.383 -1.797 1.00 0.00 H new ATOM 0 HD12 ILE A 774 7.435 -3.778 -0.583 1.00 0.00 H new ATOM 0 HD13 ILE A 774 7.716 -2.461 -1.747 1.00 0.00 H new ATOM 548 N GLY A 775 9.636 -7.379 -1.762 1.00 0.00 N ATOM 549 CA GLY A 775 9.197 -8.683 -1.302 1.00 0.00 C ATOM 550 C GLY A 775 7.766 -8.660 -0.811 1.00 0.00 C ATOM 551 O GLY A 775 7.293 -7.641 -0.314 1.00 0.00 O ATOM 0 H GLY A 775 10.069 -6.794 -1.047 1.00 0.00 H new ATOM 0 HA2 GLY A 775 9.290 -9.404 -2.114 1.00 0.00 H new ATOM 0 HA3 GLY A 775 9.850 -9.023 -0.498 1.00 0.00 H new ATOM 555 N TYR A 776 7.070 -9.785 -0.948 1.00 0.00 N ATOM 556 CA TYR A 776 5.682 -9.877 -0.510 1.00 0.00 C ATOM 557 C TYR A 776 5.548 -9.463 0.953 1.00 0.00 C ATOM 558 O TYR A 776 4.649 -8.704 1.315 1.00 0.00 O ATOM 559 CB TYR A 776 5.150 -11.297 -0.705 1.00 0.00 C ATOM 560 CG TYR A 776 3.723 -11.471 -0.239 1.00 0.00 C ATOM 561 CD1 TYR A 776 3.428 -11.617 1.110 1.00 0.00 C ATOM 562 CD2 TYR A 776 2.671 -11.481 -1.145 1.00 0.00 C ATOM 563 CE1 TYR A 776 2.126 -11.771 1.543 1.00 0.00 C ATOM 564 CE2 TYR A 776 1.365 -11.634 -0.721 1.00 0.00 C ATOM 565 CZ TYR A 776 1.098 -11.778 0.625 1.00 0.00 C ATOM 566 OH TYR A 776 -0.200 -11.930 1.052 1.00 0.00 O ATOM 0 H TYR A 776 7.443 -10.642 -1.357 1.00 0.00 H new ATOM 0 HA TYR A 776 5.090 -9.194 -1.119 1.00 0.00 H new ATOM 0 HB2 TYR A 776 5.214 -11.560 -1.761 1.00 0.00 H new ATOM 0 HB3 TYR A 776 5.789 -11.994 -0.163 1.00 0.00 H new ATOM 0 HD1 TYR A 776 4.231 -11.610 1.833 1.00 0.00 H new ATOM 0 HD2 TYR A 776 2.877 -11.367 -2.199 1.00 0.00 H new ATOM 0 HE1 TYR A 776 1.914 -11.885 2.596 1.00 0.00 H new ATOM 0 HE2 TYR A 776 0.558 -11.641 -1.439 1.00 0.00 H new ATOM 0 HH TYR A 776 -0.803 -11.912 0.279 1.00 0.00 H new ATOM 576 N ASN A 777 6.451 -9.966 1.786 1.00 0.00 N ATOM 577 CA ASN A 777 6.437 -9.648 3.208 1.00 0.00 C ATOM 578 C ASN A 777 6.696 -8.161 3.431 1.00 0.00 C ATOM 579 O ASN A 777 5.977 -7.503 4.182 1.00 0.00 O ATOM 580 CB ASN A 777 7.484 -10.481 3.949 1.00 0.00 C ATOM 581 CG ASN A 777 7.140 -11.958 3.967 1.00 0.00 C ATOM 582 OD1 ASN A 777 5.981 -12.340 3.803 1.00 0.00 O ATOM 583 ND2 ASN A 777 8.149 -12.799 4.167 1.00 0.00 N ATOM 0 H ASN A 777 7.202 -10.595 1.501 1.00 0.00 H new ATOM 0 HA ASN A 777 5.450 -9.890 3.602 1.00 0.00 H new ATOM 0 HB2 ASN A 777 8.456 -10.343 3.475 1.00 0.00 H new ATOM 0 HB3 ASN A 777 7.574 -10.119 4.973 1.00 0.00 H new ATOM 0 HD21 ASN A 777 7.978 -13.804 4.189 1.00 0.00 H new ATOM 0 HD22 ASN A 777 9.094 -12.439 4.298 1.00 0.00 H new ATOM 590 N ARG A 778 7.726 -7.636 2.771 1.00 0.00 N ATOM 591 CA ARG A 778 8.077 -6.227 2.896 1.00 0.00 C ATOM 592 C ARG A 778 6.910 -5.340 2.477 1.00 0.00 C ATOM 593 O ARG A 778 6.522 -4.423 3.200 1.00 0.00 O ATOM 594 CB ARG A 778 9.315 -5.925 2.048 1.00 0.00 C ATOM 595 CG ARG A 778 9.584 -4.445 1.851 1.00 0.00 C ATOM 596 CD ARG A 778 10.782 -4.217 0.948 1.00 0.00 C ATOM 597 NE ARG A 778 11.743 -3.290 1.543 1.00 0.00 N ATOM 598 CZ ARG A 778 12.905 -3.660 2.081 1.00 0.00 C ATOM 599 NH1 ARG A 778 13.262 -4.939 2.112 1.00 0.00 N ATOM 600 NH2 ARG A 778 13.715 -2.744 2.594 1.00 0.00 N ATOM 0 H ARG A 778 8.331 -8.167 2.145 1.00 0.00 H new ATOM 0 HA ARG A 778 8.303 -6.013 3.941 1.00 0.00 H new ATOM 0 HB2 ARG A 778 10.185 -6.382 2.519 1.00 0.00 H new ATOM 0 HB3 ARG A 778 9.197 -6.395 1.072 1.00 0.00 H new ATOM 0 HG2 ARG A 778 8.704 -3.968 1.419 1.00 0.00 H new ATOM 0 HG3 ARG A 778 9.760 -3.973 2.818 1.00 0.00 H new ATOM 0 HD2 ARG A 778 11.272 -5.170 0.748 1.00 0.00 H new ATOM 0 HD3 ARG A 778 10.444 -3.824 -0.011 1.00 0.00 H new ATOM 0 HE ARG A 778 11.510 -2.297 1.547 1.00 0.00 H new ATOM 0 HH11 ARG A 778 12.644 -5.651 1.721 1.00 0.00 H new ATOM 0 HH12 ARG A 778 14.154 -5.210 2.526 1.00 0.00 H new ATOM 0 HH21 ARG A 778 13.448 -1.760 2.576 1.00 0.00 H new ATOM 0 HH22 ARG A 778 14.605 -3.024 3.006 1.00 0.00 H new ATOM 614 N ALA A 779 6.353 -5.625 1.309 1.00 0.00 N ATOM 615 CA ALA A 779 5.224 -4.860 0.796 1.00 0.00 C ATOM 616 C ALA A 779 4.066 -4.899 1.786 1.00 0.00 C ATOM 617 O ALA A 779 3.511 -3.861 2.142 1.00 0.00 O ATOM 618 CB ALA A 779 4.795 -5.396 -0.561 1.00 0.00 C ATOM 0 H ALA A 779 6.664 -6.380 0.698 1.00 0.00 H new ATOM 0 HA ALA A 779 5.531 -3.822 0.670 1.00 0.00 H new ATOM 0 HB1 ALA A 779 3.951 -4.815 -0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 779 5.626 -5.317 -1.262 1.00 0.00 H new ATOM 0 HB3 ALA A 779 4.501 -6.441 -0.463 1.00 0.00 H new ATOM 624 N ALA A 780 3.712 -6.101 2.236 1.00 0.00 N ATOM 625 CA ALA A 780 2.628 -6.268 3.196 1.00 0.00 C ATOM 626 C ALA A 780 2.880 -5.435 4.447 1.00 0.00 C ATOM 627 O ALA A 780 1.960 -4.821 4.990 1.00 0.00 O ATOM 628 CB ALA A 780 2.464 -7.738 3.559 1.00 0.00 C ATOM 0 H ALA A 780 4.161 -6.971 1.950 1.00 0.00 H new ATOM 0 HA ALA A 780 1.705 -5.918 2.734 1.00 0.00 H new ATOM 0 HB1 ALA A 780 1.651 -7.847 4.277 1.00 0.00 H new ATOM 0 HB2 ALA A 780 2.234 -8.311 2.661 1.00 0.00 H new ATOM 0 HB3 ALA A 780 3.389 -8.109 4.000 1.00 0.00 H new ATOM 634 N ARG A 781 4.133 -5.399 4.894 1.00 0.00 N ATOM 635 CA ARG A 781 4.493 -4.617 6.069 1.00 0.00 C ATOM 636 C ARG A 781 4.160 -3.151 5.832 1.00 0.00 C ATOM 637 O ARG A 781 3.531 -2.502 6.669 1.00 0.00 O ATOM 638 CB ARG A 781 5.979 -4.782 6.388 1.00 0.00 C ATOM 639 CG ARG A 781 6.328 -6.155 6.943 1.00 0.00 C ATOM 640 CD ARG A 781 7.407 -6.071 8.007 1.00 0.00 C ATOM 641 NE ARG A 781 8.736 -5.901 7.427 1.00 0.00 N ATOM 642 CZ ARG A 781 9.864 -6.269 8.029 1.00 0.00 C ATOM 643 NH1 ARG A 781 9.831 -6.832 9.231 1.00 0.00 N ATOM 644 NH2 ARG A 781 11.029 -6.074 7.427 1.00 0.00 N ATOM 0 H ARG A 781 4.910 -5.899 4.462 1.00 0.00 H new ATOM 0 HA ARG A 781 3.920 -4.978 6.923 1.00 0.00 H new ATOM 0 HB2 ARG A 781 6.559 -4.606 5.482 1.00 0.00 H new ATOM 0 HB3 ARG A 781 6.275 -4.020 7.109 1.00 0.00 H new ATOM 0 HG2 ARG A 781 5.435 -6.615 7.366 1.00 0.00 H new ATOM 0 HG3 ARG A 781 6.666 -6.801 6.132 1.00 0.00 H new ATOM 0 HD2 ARG A 781 7.193 -5.236 8.675 1.00 0.00 H new ATOM 0 HD3 ARG A 781 7.389 -6.977 8.613 1.00 0.00 H new ATOM 0 HE ARG A 781 8.804 -5.474 6.503 1.00 0.00 H new ATOM 0 HH11 ARG A 781 8.937 -6.985 9.698 1.00 0.00 H new ATOM 0 HH12 ARG A 781 10.699 -7.112 9.687 1.00 0.00 H new ATOM 0 HH21 ARG A 781 11.060 -5.642 6.503 1.00 0.00 H new ATOM 0 HH22 ARG A 781 11.894 -6.356 7.887 1.00 0.00 H new ATOM 658 N MET A 782 4.555 -2.644 4.666 1.00 0.00 N ATOM 659 CA MET A 782 4.263 -1.264 4.305 1.00 0.00 C ATOM 660 C MET A 782 2.759 -1.079 4.214 1.00 0.00 C ATOM 661 O MET A 782 2.204 -0.099 4.704 1.00 0.00 O ATOM 662 CB MET A 782 4.914 -0.905 2.967 1.00 0.00 C ATOM 663 CG MET A 782 6.433 -0.932 2.996 1.00 0.00 C ATOM 664 SD MET A 782 7.138 -1.908 1.656 1.00 0.00 S ATOM 665 CE MET A 782 7.133 -0.711 0.325 1.00 0.00 C ATOM 0 H MET A 782 5.075 -3.167 3.961 1.00 0.00 H new ATOM 0 HA MET A 782 4.670 -0.604 5.071 1.00 0.00 H new ATOM 0 HB2 MET A 782 4.562 -1.600 2.205 1.00 0.00 H new ATOM 0 HB3 MET A 782 4.583 0.090 2.668 1.00 0.00 H new ATOM 0 HG2 MET A 782 6.811 0.088 2.935 1.00 0.00 H new ATOM 0 HG3 MET A 782 6.767 -1.339 3.951 1.00 0.00 H new ATOM 0 HE1 MET A 782 6.351 -0.966 -0.390 1.00 0.00 H new ATOM 0 HE2 MET A 782 6.944 0.283 0.730 1.00 0.00 H new ATOM 0 HE3 MET A 782 8.101 -0.721 -0.177 1.00 0.00 H new ATOM 675 N ILE A 783 2.105 -2.055 3.597 1.00 0.00 N ATOM 676 CA ILE A 783 0.660 -2.042 3.445 1.00 0.00 C ATOM 677 C ILE A 783 -0.002 -1.949 4.821 1.00 0.00 C ATOM 678 O ILE A 783 -0.985 -1.228 5.010 1.00 0.00 O ATOM 679 CB ILE A 783 0.188 -3.305 2.682 1.00 0.00 C ATOM 680 CG1 ILE A 783 0.585 -3.215 1.203 1.00 0.00 C ATOM 681 CG2 ILE A 783 -1.309 -3.514 2.813 1.00 0.00 C ATOM 682 CD1 ILE A 783 -0.265 -2.251 0.393 1.00 0.00 C ATOM 0 H ILE A 783 2.560 -2.872 3.191 1.00 0.00 H new ATOM 0 HA ILE A 783 0.366 -1.170 2.861 1.00 0.00 H new ATOM 0 HB ILE A 783 0.683 -4.166 3.132 1.00 0.00 H new ATOM 0 HG12 ILE A 783 1.629 -2.908 1.136 1.00 0.00 H new ATOM 0 HG13 ILE A 783 0.515 -4.207 0.758 1.00 0.00 H new ATOM 0 HG21 ILE A 783 -1.601 -4.409 2.264 1.00 0.00 H new ATOM 0 HG22 ILE A 783 -1.569 -3.632 3.865 1.00 0.00 H new ATOM 0 HG23 ILE A 783 -1.834 -2.651 2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 783 0.078 -2.244 -0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 783 -1.307 -2.568 0.427 1.00 0.00 H new ATOM 0 HD13 ILE A 783 -0.177 -1.248 0.811 1.00 0.00 H new ATOM 694 N GLU A 784 0.577 -2.651 5.793 1.00 0.00 N ATOM 695 CA GLU A 784 0.073 -2.607 7.160 1.00 0.00 C ATOM 696 C GLU A 784 0.191 -1.180 7.677 1.00 0.00 C ATOM 697 O GLU A 784 -0.733 -0.634 8.289 1.00 0.00 O ATOM 698 CB GLU A 784 0.870 -3.559 8.054 1.00 0.00 C ATOM 699 CG GLU A 784 0.035 -4.238 9.125 1.00 0.00 C ATOM 700 CD GLU A 784 -0.725 -5.440 8.599 1.00 0.00 C ATOM 701 OE1 GLU A 784 -0.236 -6.084 7.646 1.00 0.00 O ATOM 702 OE2 GLU A 784 -1.810 -5.738 9.141 1.00 0.00 O ATOM 0 H GLU A 784 1.390 -3.253 5.659 1.00 0.00 H new ATOM 0 HA GLU A 784 -0.970 -2.922 7.175 1.00 0.00 H new ATOM 0 HB2 GLU A 784 1.336 -4.323 7.431 1.00 0.00 H new ATOM 0 HB3 GLU A 784 1.676 -3.003 8.533 1.00 0.00 H new ATOM 0 HG2 GLU A 784 0.685 -4.553 9.941 1.00 0.00 H new ATOM 0 HG3 GLU A 784 -0.672 -3.519 9.539 1.00 0.00 H new ATOM 709 N ALA A 785 1.336 -0.569 7.385 1.00 0.00 N ATOM 710 CA ALA A 785 1.594 0.806 7.774 1.00 0.00 C ATOM 711 C ALA A 785 0.572 1.720 7.121 1.00 0.00 C ATOM 712 O ALA A 785 0.172 2.729 7.693 1.00 0.00 O ATOM 713 CB ALA A 785 3.006 1.216 7.383 1.00 0.00 C ATOM 0 H ALA A 785 2.102 -1.012 6.877 1.00 0.00 H new ATOM 0 HA ALA A 785 1.506 0.892 8.857 1.00 0.00 H new ATOM 0 HB1 ALA A 785 3.181 2.249 7.683 1.00 0.00 H new ATOM 0 HB2 ALA A 785 3.725 0.567 7.883 1.00 0.00 H new ATOM 0 HB3 ALA A 785 3.125 1.126 6.303 1.00 0.00 H new ATOM 719 N MET A 786 0.152 1.351 5.914 1.00 0.00 N ATOM 720 CA MET A 786 -0.832 2.131 5.182 1.00 0.00 C ATOM 721 C MET A 786 -2.170 2.105 5.906 1.00 0.00 C ATOM 722 O MET A 786 -2.868 3.112 5.980 1.00 0.00 O ATOM 723 CB MET A 786 -0.997 1.594 3.758 1.00 0.00 C ATOM 724 CG MET A 786 0.057 2.106 2.798 1.00 0.00 C ATOM 725 SD MET A 786 -0.214 1.563 1.100 1.00 0.00 S ATOM 726 CE MET A 786 1.264 0.592 0.815 1.00 0.00 C ATOM 0 H MET A 786 0.479 0.517 5.426 1.00 0.00 H new ATOM 0 HA MET A 786 -0.479 3.161 5.126 1.00 0.00 H new ATOM 0 HB2 MET A 786 -0.959 0.505 3.781 1.00 0.00 H new ATOM 0 HB3 MET A 786 -1.983 1.870 3.385 1.00 0.00 H new ATOM 0 HG2 MET A 786 0.069 3.196 2.828 1.00 0.00 H new ATOM 0 HG3 MET A 786 1.038 1.767 3.130 1.00 0.00 H new ATOM 0 HE1 MET A 786 1.172 0.058 -0.131 1.00 0.00 H new ATOM 0 HE2 MET A 786 2.131 1.252 0.777 1.00 0.00 H new ATOM 0 HE3 MET A 786 1.390 -0.126 1.626 1.00 0.00 H new ATOM 736 N GLU A 787 -2.519 0.950 6.449 1.00 0.00 N ATOM 737 CA GLU A 787 -3.772 0.812 7.179 1.00 0.00 C ATOM 738 C GLU A 787 -3.765 1.701 8.412 1.00 0.00 C ATOM 739 O GLU A 787 -4.739 2.395 8.703 1.00 0.00 O ATOM 740 CB GLU A 787 -4.002 -0.642 7.583 1.00 0.00 C ATOM 741 CG GLU A 787 -4.849 -1.411 6.590 1.00 0.00 C ATOM 742 CD GLU A 787 -5.842 -2.342 7.258 1.00 0.00 C ATOM 743 OE1 GLU A 787 -5.424 -3.425 7.719 1.00 0.00 O ATOM 744 OE2 GLU A 787 -7.038 -1.988 7.323 1.00 0.00 O ATOM 0 H GLU A 787 -1.958 0.099 6.400 1.00 0.00 H new ATOM 0 HA GLU A 787 -4.586 1.123 6.524 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -3.038 -1.139 7.690 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -4.485 -0.669 8.560 1.00 0.00 H new ATOM 0 HG2 GLU A 787 -5.388 -0.706 5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 787 -4.197 -1.991 5.937 1.00 0.00 H new ATOM 751 N MET A 788 -2.654 1.667 9.133 1.00 0.00 N ATOM 752 CA MET A 788 -2.496 2.466 10.345 1.00 0.00 C ATOM 753 C MET A 788 -2.331 3.952 10.024 1.00 0.00 C ATOM 754 O MET A 788 -2.814 4.816 10.756 1.00 0.00 O ATOM 755 CB MET A 788 -1.281 1.979 11.132 1.00 0.00 C ATOM 756 CG MET A 788 -1.536 0.707 11.920 1.00 0.00 C ATOM 757 SD MET A 788 -0.212 0.337 13.088 1.00 0.00 S ATOM 758 CE MET A 788 1.204 0.282 11.992 1.00 0.00 C ATOM 0 H MET A 788 -1.844 1.093 8.900 1.00 0.00 H new ATOM 0 HA MET A 788 -3.400 2.346 10.942 1.00 0.00 H new ATOM 0 HB2 MET A 788 -0.456 1.809 10.441 1.00 0.00 H new ATOM 0 HB3 MET A 788 -0.965 2.764 11.819 1.00 0.00 H new ATOM 0 HG2 MET A 788 -2.477 0.802 12.462 1.00 0.00 H new ATOM 0 HG3 MET A 788 -1.649 -0.128 11.228 1.00 0.00 H new ATOM 0 HE1 MET A 788 2.052 -0.159 12.516 1.00 0.00 H new ATOM 0 HE2 MET A 788 0.964 -0.322 11.117 1.00 0.00 H new ATOM 0 HE3 MET A 788 1.459 1.293 11.675 1.00 0.00 H new ATOM 768 N ALA A 789 -1.630 4.236 8.936 1.00 0.00 N ATOM 769 CA ALA A 789 -1.369 5.610 8.511 1.00 0.00 C ATOM 770 C ALA A 789 -2.596 6.259 7.879 1.00 0.00 C ATOM 771 O ALA A 789 -2.691 7.484 7.808 1.00 0.00 O ATOM 772 CB ALA A 789 -0.212 5.634 7.523 1.00 0.00 C ATOM 0 H ALA A 789 -1.227 3.527 8.324 1.00 0.00 H new ATOM 0 HA ALA A 789 -1.113 6.184 9.401 1.00 0.00 H new ATOM 0 HB1 ALA A 789 -0.022 6.661 7.210 1.00 0.00 H new ATOM 0 HB2 ALA A 789 0.681 5.229 7.999 1.00 0.00 H new ATOM 0 HB3 ALA A 789 -0.465 5.030 6.652 1.00 0.00 H new ATOM 778 N GLY A 790 -3.519 5.437 7.401 1.00 0.00 N ATOM 779 CA GLY A 790 -4.711 5.959 6.758 1.00 0.00 C ATOM 780 C GLY A 790 -4.542 6.045 5.252 1.00 0.00 C ATOM 781 O GLY A 790 -5.278 6.759 4.572 1.00 0.00 O ATOM 0 H GLY A 790 -3.466 4.419 7.446 1.00 0.00 H new ATOM 0 HA2 GLY A 790 -5.562 5.319 6.993 1.00 0.00 H new ATOM 0 HA3 GLY A 790 -4.936 6.948 7.156 1.00 0.00 H new ATOM 785 N VAL A 791 -3.561 5.311 4.739 1.00 0.00 N ATOM 786 CA VAL A 791 -3.270 5.285 3.316 1.00 0.00 C ATOM 787 C VAL A 791 -4.118 4.240 2.606 1.00 0.00 C ATOM 788 O VAL A 791 -4.467 4.402 1.438 1.00 0.00 O ATOM 789 CB VAL A 791 -1.778 5.002 3.069 1.00 0.00 C ATOM 790 CG1 VAL A 791 -1.461 5.019 1.585 1.00 0.00 C ATOM 791 CG2 VAL A 791 -0.925 6.016 3.812 1.00 0.00 C ATOM 0 H VAL A 791 -2.948 4.719 5.299 1.00 0.00 H new ATOM 0 HA VAL A 791 -3.514 6.267 2.910 1.00 0.00 H new ATOM 0 HB VAL A 791 -1.548 4.006 3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 791 -0.400 4.816 1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 791 -2.050 4.255 1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 791 -1.704 5.998 1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 791 0.129 5.807 3.631 1.00 0.00 H new ATOM 0 HG22 VAL A 791 -1.162 7.019 3.459 1.00 0.00 H new ATOM 0 HG23 VAL A 791 -1.129 5.950 4.881 1.00 0.00 H new ATOM 801 N VAL A 792 -4.460 3.175 3.322 1.00 0.00 N ATOM 802 CA VAL A 792 -5.286 2.120 2.749 1.00 0.00 C ATOM 803 C VAL A 792 -6.321 1.614 3.745 1.00 0.00 C ATOM 804 O VAL A 792 -6.051 1.516 4.942 1.00 0.00 O ATOM 805 CB VAL A 792 -4.436 0.932 2.263 1.00 0.00 C ATOM 806 CG1 VAL A 792 -3.409 1.400 1.251 1.00 0.00 C ATOM 807 CG2 VAL A 792 -3.764 0.231 3.433 1.00 0.00 C ATOM 0 H VAL A 792 -4.181 3.020 4.291 1.00 0.00 H new ATOM 0 HA VAL A 792 -5.799 2.563 1.895 1.00 0.00 H new ATOM 0 HB VAL A 792 -5.095 0.212 1.778 1.00 0.00 H new ATOM 0 HG11 VAL A 792 -2.815 0.550 0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 792 -3.917 1.847 0.397 1.00 0.00 H new ATOM 0 HG13 VAL A 792 -2.755 2.140 1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 792 -3.169 -0.605 3.064 1.00 0.00 H new ATOM 0 HG22 VAL A 792 -3.116 0.935 3.955 1.00 0.00 H new ATOM 0 HG23 VAL A 792 -4.524 -0.140 4.120 1.00 0.00 H new ATOM 817 N THR A 793 -7.502 1.275 3.241 1.00 0.00 N ATOM 818 CA THR A 793 -8.568 0.755 4.085 1.00 0.00 C ATOM 819 C THR A 793 -8.415 -0.762 4.207 1.00 0.00 C ATOM 820 O THR A 793 -7.653 -1.368 3.455 1.00 0.00 O ATOM 821 CB THR A 793 -9.952 1.111 3.514 1.00 0.00 C ATOM 822 OG1 THR A 793 -10.409 0.099 2.637 1.00 0.00 O ATOM 823 CG2 THR A 793 -9.995 2.425 2.755 1.00 0.00 C ATOM 0 H THR A 793 -7.744 1.351 2.253 1.00 0.00 H new ATOM 0 HA THR A 793 -8.492 1.212 5.072 1.00 0.00 H new ATOM 0 HB THR A 793 -10.593 1.206 4.390 1.00 0.00 H new ATOM 0 HG1 THR A 793 -11.387 0.126 2.588 1.00 0.00 H new ATOM 0 HG21 THR A 793 -11.006 2.599 2.387 1.00 0.00 H new ATOM 0 HG22 THR A 793 -9.706 3.239 3.420 1.00 0.00 H new ATOM 0 HG23 THR A 793 -9.304 2.381 1.913 1.00 0.00 H new ATOM 831 N PRO A 794 -9.126 -1.403 5.149 1.00 0.00 N ATOM 832 CA PRO A 794 -9.038 -2.856 5.338 1.00 0.00 C ATOM 833 C PRO A 794 -9.497 -3.628 4.105 1.00 0.00 C ATOM 834 O PRO A 794 -10.112 -3.066 3.200 1.00 0.00 O ATOM 835 CB PRO A 794 -9.973 -3.128 6.521 1.00 0.00 C ATOM 836 CG PRO A 794 -10.881 -1.950 6.570 1.00 0.00 C ATOM 837 CD PRO A 794 -10.063 -0.781 6.099 1.00 0.00 C ATOM 0 HA PRO A 794 -8.012 -3.180 5.512 1.00 0.00 H new ATOM 0 HB2 PRO A 794 -10.533 -4.052 6.378 1.00 0.00 H new ATOM 0 HB3 PRO A 794 -9.414 -3.235 7.450 1.00 0.00 H new ATOM 0 HG2 PRO A 794 -11.751 -2.101 5.931 1.00 0.00 H new ATOM 0 HG3 PRO A 794 -11.253 -1.785 7.581 1.00 0.00 H new ATOM 0 HD2 PRO A 794 -10.681 -0.021 5.620 1.00 0.00 H new ATOM 0 HD3 PRO A 794 -9.541 -0.294 6.923 1.00 0.00 H new ATOM 845 N MET A 795 -9.187 -4.920 4.077 1.00 0.00 N ATOM 846 CA MET A 795 -9.558 -5.775 2.960 1.00 0.00 C ATOM 847 C MET A 795 -11.074 -5.877 2.824 1.00 0.00 C ATOM 848 O MET A 795 -11.815 -5.575 3.760 1.00 0.00 O ATOM 849 CB MET A 795 -8.956 -7.167 3.150 1.00 0.00 C ATOM 850 CG MET A 795 -7.485 -7.147 3.537 1.00 0.00 C ATOM 851 SD MET A 795 -6.409 -7.747 2.219 1.00 0.00 S ATOM 852 CE MET A 795 -5.391 -8.915 3.116 1.00 0.00 C ATOM 0 H MET A 795 -8.677 -5.398 4.820 1.00 0.00 H new ATOM 0 HA MET A 795 -9.165 -5.331 2.045 1.00 0.00 H new ATOM 0 HB2 MET A 795 -9.518 -7.695 3.920 1.00 0.00 H new ATOM 0 HB3 MET A 795 -9.072 -7.733 2.226 1.00 0.00 H new ATOM 0 HG2 MET A 795 -7.197 -6.129 3.800 1.00 0.00 H new ATOM 0 HG3 MET A 795 -7.339 -7.760 4.426 1.00 0.00 H new ATOM 0 HE1 MET A 795 -4.673 -9.371 2.434 1.00 0.00 H new ATOM 0 HE2 MET A 795 -4.857 -8.396 3.912 1.00 0.00 H new ATOM 0 HE3 MET A 795 -6.023 -9.691 3.549 1.00 0.00 H new ATOM 862 N ASN A 796 -11.529 -6.308 1.651 1.00 0.00 N ATOM 863 CA ASN A 796 -12.955 -6.454 1.387 1.00 0.00 C ATOM 864 C ASN A 796 -13.361 -7.925 1.398 1.00 0.00 C ATOM 865 O ASN A 796 -12.518 -8.810 1.541 1.00 0.00 O ATOM 866 CB ASN A 796 -13.313 -5.826 0.040 1.00 0.00 C ATOM 867 CG ASN A 796 -13.265 -4.317 0.073 1.00 0.00 C ATOM 868 OD1 ASN A 796 -13.453 -3.697 1.120 1.00 0.00 O ATOM 869 ND2 ASN A 796 -13.013 -3.717 -1.081 1.00 0.00 N ATOM 0 H ASN A 796 -10.928 -6.563 0.867 1.00 0.00 H new ATOM 0 HA ASN A 796 -13.500 -5.937 2.177 1.00 0.00 H new ATOM 0 HB2 ASN A 796 -12.624 -6.191 -0.722 1.00 0.00 H new ATOM 0 HB3 ASN A 796 -14.312 -6.148 -0.253 1.00 0.00 H new ATOM 0 HD21 ASN A 796 -12.968 -2.699 -1.127 1.00 0.00 H new ATOM 0 HD22 ASN A 796 -12.864 -4.273 -1.923 1.00 0.00 H new ATOM 876 N THR A 797 -14.656 -8.177 1.243 1.00 0.00 N ATOM 877 CA THR A 797 -15.172 -9.541 1.234 1.00 0.00 C ATOM 878 C THR A 797 -14.580 -10.337 0.075 1.00 0.00 C ATOM 879 O THR A 797 -14.372 -11.546 0.181 1.00 0.00 O ATOM 880 CB THR A 797 -16.698 -9.531 1.132 1.00 0.00 C ATOM 881 OG1 THR A 797 -17.113 -9.023 -0.123 1.00 0.00 O ATOM 882 CG2 THR A 797 -17.364 -8.698 2.207 1.00 0.00 C ATOM 0 H THR A 797 -15.367 -7.456 1.122 1.00 0.00 H new ATOM 0 HA THR A 797 -14.880 -10.020 2.169 1.00 0.00 H new ATOM 0 HB THR A 797 -17.003 -10.570 1.258 1.00 0.00 H new ATOM 0 HG1 THR A 797 -18.092 -9.026 -0.170 1.00 0.00 H new ATOM 0 HG21 THR A 797 -18.446 -8.734 2.077 1.00 0.00 H new ATOM 0 HG22 THR A 797 -17.103 -9.094 3.188 1.00 0.00 H new ATOM 0 HG23 THR A 797 -17.023 -7.665 2.131 1.00 0.00 H new ATOM 890 N ASN A 798 -14.309 -9.650 -1.028 1.00 0.00 N ATOM 891 CA ASN A 798 -13.739 -10.291 -2.208 1.00 0.00 C ATOM 892 C ASN A 798 -12.232 -10.495 -2.052 1.00 0.00 C ATOM 893 O ASN A 798 -11.628 -11.288 -2.772 1.00 0.00 O ATOM 894 CB ASN A 798 -14.027 -9.453 -3.457 1.00 0.00 C ATOM 895 CG ASN A 798 -14.624 -10.272 -4.577 1.00 0.00 C ATOM 896 OD1 ASN A 798 -15.267 -11.296 -4.344 1.00 0.00 O ATOM 897 ND2 ASN A 798 -14.412 -9.821 -5.804 1.00 0.00 N ATOM 0 H ASN A 798 -14.475 -8.649 -1.131 1.00 0.00 H new ATOM 0 HA ASN A 798 -14.206 -11.270 -2.317 1.00 0.00 H new ATOM 0 HB2 ASN A 798 -14.710 -8.644 -3.198 1.00 0.00 H new ATOM 0 HB3 ASN A 798 -13.102 -8.991 -3.802 1.00 0.00 H new ATOM 0 HD21 ASN A 798 -14.788 -10.327 -6.606 1.00 0.00 H new ATOM 0 HD22 ASN A 798 -13.873 -8.967 -5.947 1.00 0.00 H new ATOM 904 N GLY A 799 -11.631 -9.775 -1.108 1.00 0.00 N ATOM 905 CA GLY A 799 -10.203 -9.896 -0.882 1.00 0.00 C ATOM 906 C GLY A 799 -9.420 -8.756 -1.502 1.00 0.00 C ATOM 907 O GLY A 799 -8.239 -8.902 -1.814 1.00 0.00 O ATOM 0 H GLY A 799 -12.107 -9.111 -0.497 1.00 0.00 H new ATOM 0 HA2 GLY A 799 -10.009 -9.925 0.190 1.00 0.00 H new ATOM 0 HA3 GLY A 799 -9.852 -10.841 -1.295 1.00 0.00 H new ATOM 911 N SER A 800 -10.080 -7.615 -1.679 1.00 0.00 N ATOM 912 CA SER A 800 -9.438 -6.444 -2.265 1.00 0.00 C ATOM 913 C SER A 800 -9.508 -5.252 -1.316 1.00 0.00 C ATOM 914 O SER A 800 -10.574 -4.917 -0.797 1.00 0.00 O ATOM 915 CB SER A 800 -10.094 -6.088 -3.598 1.00 0.00 C ATOM 916 OG SER A 800 -10.098 -7.198 -4.478 1.00 0.00 O ATOM 0 H SER A 800 -11.058 -7.477 -1.425 1.00 0.00 H new ATOM 0 HA SER A 800 -8.390 -6.686 -2.438 1.00 0.00 H new ATOM 0 HB2 SER A 800 -11.117 -5.753 -3.425 1.00 0.00 H new ATOM 0 HB3 SER A 800 -9.560 -5.257 -4.059 1.00 0.00 H new ATOM 0 HG SER A 800 -10.525 -6.944 -5.323 1.00 0.00 H new ATOM 922 N ARG A 801 -8.364 -4.619 -1.094 1.00 0.00 N ATOM 923 CA ARG A 801 -8.280 -3.465 -0.208 1.00 0.00 C ATOM 924 C ARG A 801 -8.660 -2.182 -0.934 1.00 0.00 C ATOM 925 O ARG A 801 -8.805 -2.160 -2.156 1.00 0.00 O ATOM 926 CB ARG A 801 -6.863 -3.328 0.346 1.00 0.00 C ATOM 927 CG ARG A 801 -6.638 -4.062 1.653 1.00 0.00 C ATOM 928 CD ARG A 801 -5.176 -4.450 1.816 1.00 0.00 C ATOM 929 NE ARG A 801 -4.823 -4.722 3.207 1.00 0.00 N ATOM 930 CZ ARG A 801 -4.143 -3.882 3.988 1.00 0.00 C ATOM 931 NH1 ARG A 801 -3.801 -2.673 3.551 1.00 0.00 N ATOM 932 NH2 ARG A 801 -3.819 -4.251 5.220 1.00 0.00 N ATOM 0 H ARG A 801 -7.476 -4.887 -1.518 1.00 0.00 H new ATOM 0 HA ARG A 801 -8.983 -3.624 0.610 1.00 0.00 H new ATOM 0 HB2 ARG A 801 -6.157 -3.702 -0.395 1.00 0.00 H new ATOM 0 HB3 ARG A 801 -6.642 -2.271 0.492 1.00 0.00 H new ATOM 0 HG2 ARG A 801 -6.945 -3.430 2.486 1.00 0.00 H new ATOM 0 HG3 ARG A 801 -7.261 -4.956 1.684 1.00 0.00 H new ATOM 0 HD2 ARG A 801 -4.968 -5.333 1.212 1.00 0.00 H new ATOM 0 HD3 ARG A 801 -4.545 -3.647 1.434 1.00 0.00 H new ATOM 0 HE ARG A 801 -5.116 -5.613 3.607 1.00 0.00 H new ATOM 0 HH11 ARG A 801 -4.059 -2.379 2.609 1.00 0.00 H new ATOM 0 HH12 ARG A 801 -3.281 -2.040 4.158 1.00 0.00 H new ATOM 0 HH21 ARG A 801 -4.090 -5.172 5.564 1.00 0.00 H new ATOM 0 HH22 ARG A 801 -3.299 -3.614 5.823 1.00 0.00 H new ATOM 946 N GLU A 802 -8.800 -1.110 -0.164 1.00 0.00 N ATOM 947 CA GLU A 802 -9.141 0.194 -0.715 1.00 0.00 C ATOM 948 C GLU A 802 -8.142 1.241 -0.230 1.00 0.00 C ATOM 949 O GLU A 802 -7.351 0.978 0.675 1.00 0.00 O ATOM 950 CB GLU A 802 -10.567 0.590 -0.321 1.00 0.00 C ATOM 951 CG GLU A 802 -11.573 0.422 -1.447 1.00 0.00 C ATOM 952 CD GLU A 802 -12.887 1.125 -1.169 1.00 0.00 C ATOM 953 OE1 GLU A 802 -12.967 2.349 -1.405 1.00 0.00 O ATOM 954 OE2 GLU A 802 -13.837 0.451 -0.716 1.00 0.00 O ATOM 0 H GLU A 802 -8.682 -1.119 0.849 1.00 0.00 H new ATOM 0 HA GLU A 802 -9.093 0.138 -1.802 1.00 0.00 H new ATOM 0 HB2 GLU A 802 -10.882 -0.014 0.530 1.00 0.00 H new ATOM 0 HB3 GLU A 802 -10.570 1.630 0.007 1.00 0.00 H new ATOM 0 HG2 GLU A 802 -11.146 0.812 -2.371 1.00 0.00 H new ATOM 0 HG3 GLU A 802 -11.761 -0.640 -1.605 1.00 0.00 H new ATOM 961 N VAL A 803 -8.169 2.420 -0.840 1.00 0.00 N ATOM 962 CA VAL A 803 -7.246 3.485 -0.465 1.00 0.00 C ATOM 963 C VAL A 803 -7.952 4.623 0.263 1.00 0.00 C ATOM 964 O VAL A 803 -9.037 5.051 -0.132 1.00 0.00 O ATOM 965 CB VAL A 803 -6.525 4.071 -1.693 1.00 0.00 C ATOM 966 CG1 VAL A 803 -5.401 4.997 -1.256 1.00 0.00 C ATOM 967 CG2 VAL A 803 -5.993 2.964 -2.589 1.00 0.00 C ATOM 0 H VAL A 803 -8.815 2.662 -1.591 1.00 0.00 H new ATOM 0 HA VAL A 803 -6.518 3.025 0.204 1.00 0.00 H new ATOM 0 HB VAL A 803 -7.246 4.651 -2.269 1.00 0.00 H new ATOM 0 HG11 VAL A 803 -4.901 5.403 -2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 803 -5.812 5.814 -0.663 1.00 0.00 H new ATOM 0 HG13 VAL A 803 -4.682 4.439 -0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 803 -5.488 3.403 -3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 803 -5.288 2.350 -2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 803 -6.821 2.344 -2.932 1.00 0.00 H new ATOM 977 N ILE A 804 -7.314 5.124 1.316 1.00 0.00 N ATOM 978 CA ILE A 804 -7.862 6.234 2.089 1.00 0.00 C ATOM 979 C ILE A 804 -7.059 7.506 1.830 1.00 0.00 C ATOM 980 O ILE A 804 -7.580 8.614 1.941 1.00 0.00 O ATOM 981 CB ILE A 804 -7.880 5.952 3.613 1.00 0.00 C ATOM 982 CG1 ILE A 804 -7.151 4.647 3.951 1.00 0.00 C ATOM 983 CG2 ILE A 804 -9.311 5.912 4.122 1.00 0.00 C ATOM 984 CD1 ILE A 804 -7.169 4.307 5.426 1.00 0.00 C ATOM 0 H ILE A 804 -6.416 4.779 1.654 1.00 0.00 H new ATOM 0 HA ILE A 804 -8.893 6.361 1.760 1.00 0.00 H new ATOM 0 HB ILE A 804 -7.350 6.763 4.112 1.00 0.00 H new ATOM 0 HG12 ILE A 804 -7.608 3.830 3.393 1.00 0.00 H new ATOM 0 HG13 ILE A 804 -6.116 4.722 3.617 1.00 0.00 H new ATOM 0 HG21 ILE A 804 -9.311 5.713 5.194 1.00 0.00 H new ATOM 0 HG22 ILE A 804 -9.792 6.871 3.931 1.00 0.00 H new ATOM 0 HG23 ILE A 804 -9.858 5.123 3.607 1.00 0.00 H new ATOM 0 HD11 ILE A 804 -6.635 3.371 5.590 1.00 0.00 H new ATOM 0 HD12 ILE A 804 -6.685 5.105 5.989 1.00 0.00 H new ATOM 0 HD13 ILE A 804 -8.200 4.200 5.762 1.00 0.00 H new ATOM 996 N ALA A 805 -5.785 7.333 1.482 1.00 0.00 N ATOM 997 CA ALA A 805 -4.908 8.459 1.203 1.00 0.00 C ATOM 998 C ALA A 805 -5.085 8.948 -0.234 1.00 0.00 C ATOM 999 O ALA A 805 -4.932 8.177 -1.181 1.00 0.00 O ATOM 1000 CB ALA A 805 -3.453 8.078 1.450 1.00 0.00 C ATOM 0 H ALA A 805 -5.340 6.420 1.388 1.00 0.00 H new ATOM 0 HA ALA A 805 -5.180 9.270 1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 805 -2.812 8.933 1.236 1.00 0.00 H new ATOM 0 HB2 ALA A 805 -3.326 7.781 2.491 1.00 0.00 H new ATOM 0 HB3 ALA A 805 -3.179 7.247 0.800 1.00 0.00 H new ATOM 1006 N PRO A 806 -5.403 10.240 -0.416 1.00 0.00 N ATOM 1007 CA PRO A 806 -5.594 10.829 -1.746 1.00 0.00 C ATOM 1008 C PRO A 806 -4.300 10.867 -2.552 1.00 0.00 C ATOM 1009 O PRO A 806 -3.208 10.717 -2.001 1.00 0.00 O ATOM 1010 CB PRO A 806 -6.076 12.250 -1.445 1.00 0.00 C ATOM 1011 CG PRO A 806 -5.566 12.540 -0.077 1.00 0.00 C ATOM 1012 CD PRO A 806 -5.599 11.228 0.656 1.00 0.00 C ATOM 0 HA PRO A 806 -6.292 10.249 -2.350 1.00 0.00 H new ATOM 0 HB2 PRO A 806 -5.687 12.963 -2.172 1.00 0.00 H new ATOM 0 HB3 PRO A 806 -7.163 12.316 -1.485 1.00 0.00 H new ATOM 0 HG2 PRO A 806 -4.554 12.943 -0.114 1.00 0.00 H new ATOM 0 HG3 PRO A 806 -6.187 13.284 0.423 1.00 0.00 H new ATOM 0 HD2 PRO A 806 -4.813 11.167 1.409 1.00 0.00 H new ATOM 0 HD3 PRO A 806 -6.547 11.079 1.173 1.00 0.00 H new ATOM 1020 N ALA A 807 -4.427 11.065 -3.859 1.00 0.00 N ATOM 1021 CA ALA A 807 -3.269 11.121 -4.743 1.00 0.00 C ATOM 1022 C ALA A 807 -2.954 12.559 -5.151 1.00 0.00 C ATOM 1023 O ALA A 807 -3.777 13.457 -4.974 1.00 0.00 O ATOM 1024 CB ALA A 807 -3.504 10.258 -5.974 1.00 0.00 C ATOM 0 H ALA A 807 -5.323 11.190 -4.331 1.00 0.00 H new ATOM 0 HA ALA A 807 -2.409 10.732 -4.199 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -2.632 10.309 -6.626 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -3.669 9.225 -5.668 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -4.380 10.621 -6.511 1.00 0.00 H new