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=0.000141 USER MOD Single : A 750 TYR OH : rot -15:sc= -0.555 USER MOD Single : A 758 THR OG1 : rot -91:sc= -0.738 USER MOD Single : A 760 SER OG : rot 172:sc= -1.28 USER MOD Single : A 764 SER OG : rot 180:sc= 0 USER MOD Single : A 766 SER OG : rot 180:sc= -0.0605 USER MOD Single : A 769 GLN :FLIP amide:sc= -0.0194 F(o=-1.4,f=-0.019) 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= -0.105 K(o=-0.1,f=-1.6!) USER MOD Single : A 782 MET CE :methyl 172:sc= -4.43! (180deg=-4.58!) USER MOD Single : A 786 MET CE :methyl 178:sc= -7.19! (180deg=-7.57!) USER MOD Single : A 788 MET CE :methyl -167:sc= -0.449 (180deg=-1.23) USER MOD Single : A 793 THR OG1 : rot 140:sc= -1.53! USER MOD Single : A 795 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 796 ASN : amide:sc= -0.99 K(o=-0.99,f=-1.7) USER MOD Single : A 797 THR OG1 : rot 180:sc= 0 USER MOD Single : A 798 ASN : amide:sc= -0.271 K(o=-0.27,f=-1.3!) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLY A 743 9.210 -0.899 7.242 1.00 0.00 N ATOM 37 CA GLY A 743 8.014 -0.552 6.496 1.00 0.00 C ATOM 38 C GLY A 743 7.008 0.212 7.334 1.00 0.00 C ATOM 39 O GLY A 743 5.816 -0.094 7.316 1.00 0.00 O ATOM 0 HA2 GLY A 743 8.292 0.049 5.630 1.00 0.00 H new ATOM 0 HA3 GLY A 743 7.549 -1.462 6.117 1.00 0.00 H new ATOM 43 N SER A 744 7.489 1.211 8.066 1.00 0.00 N ATOM 44 CA SER A 744 6.623 2.023 8.911 1.00 0.00 C ATOM 45 C SER A 744 6.149 3.262 8.154 1.00 0.00 C ATOM 46 O SER A 744 6.141 3.279 6.924 1.00 0.00 O ATOM 47 CB SER A 744 7.356 2.426 10.194 1.00 0.00 C ATOM 48 OG SER A 744 8.514 1.633 10.392 1.00 0.00 O ATOM 0 H SER A 744 8.473 1.477 8.091 1.00 0.00 H new ATOM 0 HA SER A 744 5.749 1.431 9.183 1.00 0.00 H new ATOM 0 HB2 SER A 744 7.637 3.478 10.141 1.00 0.00 H new ATOM 0 HB3 SER A 744 6.687 2.318 11.048 1.00 0.00 H new ATOM 0 HG SER A 744 8.964 1.912 11.217 1.00 0.00 H new ATOM 54 N GLU A 745 5.750 4.296 8.890 1.00 0.00 N ATOM 55 CA GLU A 745 5.271 5.531 8.276 1.00 0.00 C ATOM 56 C GLU A 745 6.255 6.054 7.234 1.00 0.00 C ATOM 57 O GLU A 745 5.851 6.561 6.188 1.00 0.00 O ATOM 58 CB GLU A 745 5.026 6.599 9.341 1.00 0.00 C ATOM 59 CG GLU A 745 4.321 7.835 8.806 1.00 0.00 C ATOM 60 CD GLU A 745 3.235 8.335 9.739 1.00 0.00 C ATOM 61 OE1 GLU A 745 2.233 7.613 9.926 1.00 0.00 O ATOM 62 OE2 GLU A 745 3.387 9.450 10.281 1.00 0.00 O ATOM 0 H GLU A 745 5.749 4.303 9.910 1.00 0.00 H new ATOM 0 HA GLU A 745 4.331 5.304 7.773 1.00 0.00 H new ATOM 0 HB2 GLU A 745 4.429 6.169 10.145 1.00 0.00 H new ATOM 0 HB3 GLU A 745 5.981 6.894 9.775 1.00 0.00 H new ATOM 0 HG2 GLU A 745 5.053 8.627 8.649 1.00 0.00 H new ATOM 0 HG3 GLU A 745 3.884 7.607 7.834 1.00 0.00 H new ATOM 69 N ASP A 746 7.546 5.930 7.522 1.00 0.00 N ATOM 70 CA ASP A 746 8.574 6.397 6.598 1.00 0.00 C ATOM 71 C ASP A 746 9.615 5.314 6.329 1.00 0.00 C ATOM 72 O ASP A 746 10.578 5.158 7.080 1.00 0.00 O ATOM 73 CB ASP A 746 9.257 7.646 7.157 1.00 0.00 C ATOM 74 CG ASP A 746 8.579 8.926 6.707 1.00 0.00 C ATOM 75 OD1 ASP A 746 7.336 8.930 6.593 1.00 0.00 O ATOM 76 OD2 ASP A 746 9.292 9.923 6.469 1.00 0.00 O ATOM 0 H ASP A 746 7.904 5.513 8.381 1.00 0.00 H new ATOM 0 HA ASP A 746 8.087 6.642 5.654 1.00 0.00 H new ATOM 0 HB2 ASP A 746 9.256 7.601 8.246 1.00 0.00 H new ATOM 0 HB3 ASP A 746 10.300 7.659 6.840 1.00 0.00 H new ATOM 81 N ASP A 747 9.418 4.582 5.238 1.00 0.00 N ATOM 82 CA ASP A 747 10.339 3.523 4.840 1.00 0.00 C ATOM 83 C ASP A 747 10.872 3.783 3.431 1.00 0.00 C ATOM 84 O ASP A 747 10.129 4.237 2.560 1.00 0.00 O ATOM 85 CB ASP A 747 9.647 2.160 4.892 1.00 0.00 C ATOM 86 CG ASP A 747 10.611 1.011 4.683 1.00 0.00 C ATOM 87 OD1 ASP A 747 11.094 0.842 3.541 1.00 0.00 O ATOM 88 OD2 ASP A 747 10.885 0.279 5.657 1.00 0.00 O ATOM 0 H ASP A 747 8.624 4.704 4.610 1.00 0.00 H new ATOM 0 HA ASP A 747 11.175 3.517 5.539 1.00 0.00 H new ATOM 0 HB2 ASP A 747 9.152 2.044 5.856 1.00 0.00 H new ATOM 0 HB3 ASP A 747 8.870 2.121 4.129 1.00 0.00 H new ATOM 93 N PRO A 748 12.163 3.494 3.185 1.00 0.00 N ATOM 94 CA PRO A 748 12.790 3.696 1.875 1.00 0.00 C ATOM 95 C PRO A 748 11.877 3.354 0.700 1.00 0.00 C ATOM 96 O PRO A 748 12.028 3.908 -0.390 1.00 0.00 O ATOM 97 CB PRO A 748 13.973 2.735 1.928 1.00 0.00 C ATOM 98 CG PRO A 748 14.383 2.736 3.361 1.00 0.00 C ATOM 99 CD PRO A 748 13.124 2.946 4.166 1.00 0.00 C ATOM 0 HA PRO A 748 13.053 4.740 1.708 1.00 0.00 H new ATOM 0 HB2 PRO A 748 13.690 1.736 1.596 1.00 0.00 H new ATOM 0 HB3 PRO A 748 14.785 3.067 1.281 1.00 0.00 H new ATOM 0 HG2 PRO A 748 14.862 1.794 3.628 1.00 0.00 H new ATOM 0 HG3 PRO A 748 15.106 3.528 3.557 1.00 0.00 H new ATOM 0 HD2 PRO A 748 12.765 2.012 4.598 1.00 0.00 H new ATOM 0 HD3 PRO A 748 13.289 3.637 4.993 1.00 0.00 H new ATOM 107 N LEU A 749 10.940 2.434 0.912 1.00 0.00 N ATOM 108 CA LEU A 749 10.030 2.029 -0.154 1.00 0.00 C ATOM 109 C LEU A 749 8.567 2.293 0.198 1.00 0.00 C ATOM 110 O LEU A 749 7.710 2.308 -0.686 1.00 0.00 O ATOM 111 CB LEU A 749 10.231 0.546 -0.466 1.00 0.00 C ATOM 112 CG LEU A 749 11.604 0.197 -1.043 1.00 0.00 C ATOM 113 CD1 LEU A 749 11.880 -1.293 -0.914 1.00 0.00 C ATOM 114 CD2 LEU A 749 11.694 0.633 -2.495 1.00 0.00 C ATOM 0 H LEU A 749 10.792 1.959 1.803 1.00 0.00 H new ATOM 0 HA LEU A 749 10.265 2.631 -1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 749 10.079 -0.028 0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 749 9.464 0.230 -1.172 1.00 0.00 H new ATOM 0 HG LEU A 749 12.362 0.733 -0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 749 12.862 -1.519 -1.331 1.00 0.00 H new ATOM 0 HD12 LEU A 749 11.858 -1.577 0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 749 11.118 -1.852 -1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 749 12.677 0.378 -2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 749 10.925 0.124 -3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 749 11.545 1.711 -2.561 1.00 0.00 H new ATOM 126 N TYR A 750 8.270 2.507 1.478 1.00 0.00 N ATOM 127 CA TYR A 750 6.890 2.761 1.887 1.00 0.00 C ATOM 128 C TYR A 750 6.313 3.928 1.110 1.00 0.00 C ATOM 129 O TYR A 750 5.209 3.848 0.591 1.00 0.00 O ATOM 130 CB TYR A 750 6.793 3.029 3.385 1.00 0.00 C ATOM 131 CG TYR A 750 5.396 3.377 3.845 1.00 0.00 C ATOM 132 CD1 TYR A 750 4.954 4.693 3.867 1.00 0.00 C ATOM 133 CD2 TYR A 750 4.521 2.385 4.261 1.00 0.00 C ATOM 134 CE1 TYR A 750 3.679 5.008 4.296 1.00 0.00 C ATOM 135 CE2 TYR A 750 3.249 2.689 4.690 1.00 0.00 C ATOM 136 CZ TYR A 750 2.830 4.002 4.709 1.00 0.00 C ATOM 137 OH TYR A 750 1.559 4.310 5.137 1.00 0.00 O ATOM 0 H TYR A 750 8.951 2.510 2.237 1.00 0.00 H new ATOM 0 HA TYR A 750 6.310 1.865 1.666 1.00 0.00 H new ATOM 0 HB2 TYR A 750 7.137 2.148 3.927 1.00 0.00 H new ATOM 0 HB3 TYR A 750 7.467 3.846 3.645 1.00 0.00 H new ATOM 0 HD1 TYR A 750 5.617 5.482 3.544 1.00 0.00 H new ATOM 0 HD2 TYR A 750 4.844 1.354 4.248 1.00 0.00 H new ATOM 0 HE1 TYR A 750 3.349 6.036 4.308 1.00 0.00 H new ATOM 0 HE2 TYR A 750 2.582 1.902 5.010 1.00 0.00 H new ATOM 0 HH TYR A 750 1.498 5.272 5.315 1.00 0.00 H new ATOM 147 N ASP A 751 7.074 5.007 1.014 1.00 0.00 N ATOM 148 CA ASP A 751 6.629 6.177 0.274 1.00 0.00 C ATOM 149 C ASP A 751 6.222 5.765 -1.137 1.00 0.00 C ATOM 150 O ASP A 751 5.257 6.288 -1.698 1.00 0.00 O ATOM 151 CB ASP A 751 7.738 7.229 0.217 1.00 0.00 C ATOM 152 CG ASP A 751 7.296 8.498 -0.488 1.00 0.00 C ATOM 153 OD1 ASP A 751 6.733 9.386 0.187 1.00 0.00 O ATOM 154 OD2 ASP A 751 7.513 8.602 -1.713 1.00 0.00 O ATOM 0 H ASP A 751 7.998 5.097 1.437 1.00 0.00 H new ATOM 0 HA ASP A 751 5.770 6.612 0.784 1.00 0.00 H new ATOM 0 HB2 ASP A 751 8.057 7.472 1.231 1.00 0.00 H new ATOM 0 HB3 ASP A 751 8.604 6.813 -0.298 1.00 0.00 H new ATOM 159 N GLU A 752 6.955 4.802 -1.694 1.00 0.00 N ATOM 160 CA GLU A 752 6.662 4.294 -3.026 1.00 0.00 C ATOM 161 C GLU A 752 5.381 3.475 -3.006 1.00 0.00 C ATOM 162 O GLU A 752 4.536 3.601 -3.890 1.00 0.00 O ATOM 163 CB GLU A 752 7.827 3.449 -3.545 1.00 0.00 C ATOM 164 CG GLU A 752 8.960 4.272 -4.130 1.00 0.00 C ATOM 165 CD GLU A 752 9.995 3.420 -4.837 1.00 0.00 C ATOM 166 OE1 GLU A 752 10.954 2.974 -4.170 1.00 0.00 O ATOM 167 OE2 GLU A 752 9.849 3.197 -6.057 1.00 0.00 O ATOM 0 H GLU A 752 7.755 4.360 -1.241 1.00 0.00 H new ATOM 0 HA GLU A 752 6.525 5.141 -3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 752 8.215 2.840 -2.729 1.00 0.00 H new ATOM 0 HB3 GLU A 752 7.456 2.763 -4.307 1.00 0.00 H new ATOM 0 HG2 GLU A 752 8.551 4.998 -4.833 1.00 0.00 H new ATOM 0 HG3 GLU A 752 9.443 4.837 -3.333 1.00 0.00 H new ATOM 174 N ALA A 753 5.244 2.642 -1.981 1.00 0.00 N ATOM 175 CA ALA A 753 4.059 1.807 -1.829 1.00 0.00 C ATOM 176 C ALA A 753 2.819 2.676 -1.673 1.00 0.00 C ATOM 177 O ALA A 753 1.833 2.508 -2.387 1.00 0.00 O ATOM 178 CB ALA A 753 4.213 0.881 -0.630 1.00 0.00 C ATOM 0 H ALA A 753 5.939 2.527 -1.243 1.00 0.00 H new ATOM 0 HA ALA A 753 3.946 1.196 -2.725 1.00 0.00 H new ATOM 0 HB1 ALA A 753 3.320 0.264 -0.530 1.00 0.00 H new ATOM 0 HB2 ALA A 753 5.083 0.240 -0.775 1.00 0.00 H new ATOM 0 HB3 ALA A 753 4.347 1.475 0.274 1.00 0.00 H new ATOM 184 N VAL A 754 2.888 3.616 -0.737 1.00 0.00 N ATOM 185 CA VAL A 754 1.791 4.535 -0.478 1.00 0.00 C ATOM 186 C VAL A 754 1.411 5.283 -1.754 1.00 0.00 C ATOM 187 O VAL A 754 0.230 5.447 -2.059 1.00 0.00 O ATOM 188 CB VAL A 754 2.177 5.536 0.637 1.00 0.00 C ATOM 189 CG1 VAL A 754 1.463 6.869 0.473 1.00 0.00 C ATOM 190 CG2 VAL A 754 1.881 4.943 2.003 1.00 0.00 C ATOM 0 H VAL A 754 3.703 3.760 -0.140 1.00 0.00 H new ATOM 0 HA VAL A 754 0.929 3.958 -0.143 1.00 0.00 H new ATOM 0 HB VAL A 754 3.247 5.725 0.554 1.00 0.00 H new ATOM 0 HG11 VAL A 754 1.762 7.543 1.276 1.00 0.00 H new ATOM 0 HG12 VAL A 754 1.730 7.309 -0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 754 0.385 6.712 0.513 1.00 0.00 H new ATOM 0 HG21 VAL A 754 2.158 5.658 2.778 1.00 0.00 H new ATOM 0 HG22 VAL A 754 0.817 4.718 2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 754 2.456 4.026 2.134 1.00 0.00 H new ATOM 200 N ARG A 755 2.420 5.721 -2.500 1.00 0.00 N ATOM 201 CA ARG A 755 2.188 6.436 -3.748 1.00 0.00 C ATOM 202 C ARG A 755 1.613 5.493 -4.796 1.00 0.00 C ATOM 203 O ARG A 755 0.746 5.868 -5.588 1.00 0.00 O ATOM 204 CB ARG A 755 3.498 7.041 -4.260 1.00 0.00 C ATOM 205 CG ARG A 755 3.301 8.117 -5.316 1.00 0.00 C ATOM 206 CD ARG A 755 4.630 8.619 -5.859 1.00 0.00 C ATOM 207 NE ARG A 755 4.779 10.063 -5.692 1.00 0.00 N ATOM 208 CZ ARG A 755 5.653 10.802 -6.373 1.00 0.00 C ATOM 209 NH1 ARG A 755 6.455 10.239 -7.267 1.00 0.00 N ATOM 210 NH2 ARG A 755 5.723 12.109 -6.159 1.00 0.00 N ATOM 0 H ARG A 755 3.404 5.593 -2.262 1.00 0.00 H new ATOM 0 HA ARG A 755 1.473 7.238 -3.562 1.00 0.00 H new ATOM 0 HB2 ARG A 755 4.045 7.466 -3.419 1.00 0.00 H new ATOM 0 HB3 ARG A 755 4.118 6.246 -4.675 1.00 0.00 H new ATOM 0 HG2 ARG A 755 2.700 7.719 -6.134 1.00 0.00 H new ATOM 0 HG3 ARG A 755 2.744 8.950 -4.888 1.00 0.00 H new ATOM 0 HD2 ARG A 755 5.446 8.109 -5.348 1.00 0.00 H new ATOM 0 HD3 ARG A 755 4.708 8.366 -6.916 1.00 0.00 H new ATOM 0 HE ARG A 755 4.178 10.532 -5.014 1.00 0.00 H new ATOM 0 HH11 ARG A 755 6.405 9.234 -7.436 1.00 0.00 H new ATOM 0 HH12 ARG A 755 7.122 10.811 -7.785 1.00 0.00 H new ATOM 0 HH21 ARG A 755 5.108 12.547 -5.473 1.00 0.00 H new ATOM 0 HH22 ARG A 755 6.392 12.676 -6.680 1.00 0.00 H new ATOM 224 N PHE A 756 2.112 4.263 -4.790 1.00 0.00 N ATOM 225 CA PHE A 756 1.674 3.243 -5.731 1.00 0.00 C ATOM 226 C PHE A 756 0.207 2.879 -5.505 1.00 0.00 C ATOM 227 O PHE A 756 -0.570 2.789 -6.454 1.00 0.00 O ATOM 228 CB PHE A 756 2.562 2.001 -5.589 1.00 0.00 C ATOM 229 CG PHE A 756 1.897 0.722 -6.001 1.00 0.00 C ATOM 230 CD1 PHE A 756 1.884 0.327 -7.328 1.00 0.00 C ATOM 231 CD2 PHE A 756 1.282 -0.080 -5.059 1.00 0.00 C ATOM 232 CE1 PHE A 756 1.269 -0.850 -7.706 1.00 0.00 C ATOM 233 CE2 PHE A 756 0.665 -1.256 -5.430 1.00 0.00 C ATOM 234 CZ PHE A 756 0.658 -1.643 -6.755 1.00 0.00 C ATOM 0 H PHE A 756 2.828 3.947 -4.136 1.00 0.00 H new ATOM 0 HA PHE A 756 1.765 3.639 -6.742 1.00 0.00 H new ATOM 0 HB2 PHE A 756 3.461 2.140 -6.189 1.00 0.00 H new ATOM 0 HB3 PHE A 756 2.882 1.913 -4.551 1.00 0.00 H new ATOM 0 HD1 PHE A 756 2.360 0.946 -8.075 1.00 0.00 H new ATOM 0 HD2 PHE A 756 1.285 0.217 -4.021 1.00 0.00 H new ATOM 0 HE1 PHE A 756 1.266 -1.150 -8.744 1.00 0.00 H new ATOM 0 HE2 PHE A 756 0.187 -1.874 -4.684 1.00 0.00 H new ATOM 0 HZ PHE A 756 0.176 -2.564 -7.047 1.00 0.00 H new ATOM 244 N VAL A 757 -0.167 2.669 -4.246 1.00 0.00 N ATOM 245 CA VAL A 757 -1.538 2.314 -3.912 1.00 0.00 C ATOM 246 C VAL A 757 -2.473 3.492 -4.146 1.00 0.00 C ATOM 247 O VAL A 757 -3.549 3.340 -4.725 1.00 0.00 O ATOM 248 CB VAL A 757 -1.657 1.849 -2.449 1.00 0.00 C ATOM 249 CG1 VAL A 757 -3.086 1.443 -2.129 1.00 0.00 C ATOM 250 CG2 VAL A 757 -0.696 0.701 -2.177 1.00 0.00 C ATOM 0 H VAL A 757 0.460 2.739 -3.444 1.00 0.00 H new ATOM 0 HA VAL A 757 -1.826 1.490 -4.565 1.00 0.00 H new ATOM 0 HB VAL A 757 -1.389 2.682 -1.800 1.00 0.00 H new ATOM 0 HG11 VAL A 757 -3.148 1.118 -1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 757 -3.749 2.294 -2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 757 -3.387 0.625 -2.784 1.00 0.00 H new ATOM 0 HG21 VAL A 757 -0.792 0.384 -1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 757 -0.932 -0.135 -2.835 1.00 0.00 H new ATOM 0 HG23 VAL A 757 0.326 1.031 -2.362 1.00 0.00 H new ATOM 260 N THR A 758 -2.052 4.669 -3.696 1.00 0.00 N ATOM 261 CA THR A 758 -2.848 5.878 -3.860 1.00 0.00 C ATOM 262 C THR A 758 -3.199 6.106 -5.329 1.00 0.00 C ATOM 263 O THR A 758 -4.329 6.468 -5.657 1.00 0.00 O ATOM 264 CB THR A 758 -2.088 7.084 -3.314 1.00 0.00 C ATOM 265 OG1 THR A 758 -0.725 7.033 -3.699 1.00 0.00 O ATOM 266 CG2 THR A 758 -2.135 7.190 -1.805 1.00 0.00 C ATOM 0 H THR A 758 -1.164 4.811 -3.215 1.00 0.00 H new ATOM 0 HA THR A 758 -3.775 5.753 -3.301 1.00 0.00 H new ATOM 0 HB THR A 758 -2.587 7.955 -3.738 1.00 0.00 H new ATOM 0 HG1 THR A 758 -0.207 6.568 -3.009 1.00 0.00 H new ATOM 0 HG21 THR A 758 -1.575 8.069 -1.484 1.00 0.00 H new ATOM 0 HG22 THR A 758 -3.171 7.281 -1.479 1.00 0.00 H new ATOM 0 HG23 THR A 758 -1.693 6.297 -1.364 1.00 0.00 H new ATOM 274 N GLU A 759 -2.223 5.897 -6.206 1.00 0.00 N ATOM 275 CA GLU A 759 -2.427 6.085 -7.638 1.00 0.00 C ATOM 276 C GLU A 759 -3.160 4.896 -8.258 1.00 0.00 C ATOM 277 O GLU A 759 -3.965 5.061 -9.175 1.00 0.00 O ATOM 278 CB GLU A 759 -1.084 6.292 -8.342 1.00 0.00 C ATOM 279 CG GLU A 759 -0.708 7.754 -8.514 1.00 0.00 C ATOM 280 CD GLU A 759 0.589 7.936 -9.280 1.00 0.00 C ATOM 281 OE1 GLU A 759 0.800 7.205 -10.271 1.00 0.00 O ATOM 282 OE2 GLU A 759 1.392 8.808 -8.888 1.00 0.00 O ATOM 0 H GLU A 759 -1.282 5.597 -5.950 1.00 0.00 H new ATOM 0 HA GLU A 759 -3.046 6.973 -7.771 1.00 0.00 H new ATOM 0 HB2 GLU A 759 -0.303 5.789 -7.772 1.00 0.00 H new ATOM 0 HB3 GLU A 759 -1.120 5.817 -9.322 1.00 0.00 H new ATOM 0 HG2 GLU A 759 -1.511 8.273 -9.038 1.00 0.00 H new ATOM 0 HG3 GLU A 759 -0.615 8.219 -7.533 1.00 0.00 H new ATOM 289 N SER A 760 -2.873 3.697 -7.759 1.00 0.00 N ATOM 290 CA SER A 760 -3.502 2.483 -8.273 1.00 0.00 C ATOM 291 C SER A 760 -4.934 2.332 -7.761 1.00 0.00 C ATOM 292 O SER A 760 -5.735 1.598 -8.343 1.00 0.00 O ATOM 293 CB SER A 760 -2.674 1.253 -7.889 1.00 0.00 C ATOM 294 OG SER A 760 -3.021 0.784 -6.597 1.00 0.00 O ATOM 0 H SER A 760 -2.210 3.540 -7.000 1.00 0.00 H new ATOM 0 HA SER A 760 -3.542 2.565 -9.359 1.00 0.00 H new ATOM 0 HB2 SER A 760 -2.833 0.461 -8.621 1.00 0.00 H new ATOM 0 HB3 SER A 760 -1.613 1.503 -7.915 1.00 0.00 H new ATOM 0 HG SER A 760 -2.574 -0.072 -6.429 1.00 0.00 H new ATOM 300 N ARG A 761 -5.256 3.028 -6.671 1.00 0.00 N ATOM 301 CA ARG A 761 -6.596 2.965 -6.089 1.00 0.00 C ATOM 302 C ARG A 761 -6.889 1.583 -5.508 1.00 0.00 C ATOM 303 O ARG A 761 -8.048 1.182 -5.395 1.00 0.00 O ATOM 304 CB ARG A 761 -7.654 3.325 -7.137 1.00 0.00 C ATOM 305 CG ARG A 761 -8.238 4.718 -6.962 1.00 0.00 C ATOM 306 CD ARG A 761 -7.171 5.795 -7.076 1.00 0.00 C ATOM 307 NE ARG A 761 -7.571 6.860 -7.993 1.00 0.00 N ATOM 308 CZ ARG A 761 -7.142 8.118 -7.905 1.00 0.00 C ATOM 309 NH1 ARG A 761 -6.290 8.474 -6.952 1.00 0.00 N ATOM 310 NH2 ARG A 761 -7.564 9.023 -8.778 1.00 0.00 N ATOM 0 H ARG A 761 -4.609 3.640 -6.174 1.00 0.00 H new ATOM 0 HA ARG A 761 -6.635 3.691 -5.277 1.00 0.00 H new ATOM 0 HB2 ARG A 761 -7.210 3.249 -8.130 1.00 0.00 H new ATOM 0 HB3 ARG A 761 -8.461 2.594 -7.092 1.00 0.00 H new ATOM 0 HG2 ARG A 761 -9.007 4.887 -7.715 1.00 0.00 H new ATOM 0 HG3 ARG A 761 -8.724 4.789 -5.989 1.00 0.00 H new ATOM 0 HD2 ARG A 761 -6.975 6.218 -6.091 1.00 0.00 H new ATOM 0 HD3 ARG A 761 -6.239 5.348 -7.422 1.00 0.00 H new ATOM 0 HE ARG A 761 -8.218 6.626 -8.746 1.00 0.00 H new ATOM 0 HH11 ARG A 761 -5.959 7.782 -6.280 1.00 0.00 H new ATOM 0 HH12 ARG A 761 -5.966 9.439 -6.892 1.00 0.00 H new ATOM 0 HH21 ARG A 761 -8.216 8.755 -9.515 1.00 0.00 H new ATOM 0 HH22 ARG A 761 -7.237 9.987 -8.712 1.00 0.00 H new ATOM 324 N ARG A 762 -5.837 0.859 -5.140 1.00 0.00 N ATOM 325 CA ARG A 762 -5.988 -0.473 -4.570 1.00 0.00 C ATOM 326 C ARG A 762 -4.743 -0.872 -3.782 1.00 0.00 C ATOM 327 O ARG A 762 -3.621 -0.717 -4.262 1.00 0.00 O ATOM 328 CB ARG A 762 -6.263 -1.488 -5.679 1.00 0.00 C ATOM 329 CG ARG A 762 -5.050 -1.805 -6.538 1.00 0.00 C ATOM 330 CD ARG A 762 -5.454 -2.200 -7.949 1.00 0.00 C ATOM 331 NE ARG A 762 -4.774 -1.393 -8.960 1.00 0.00 N ATOM 332 CZ ARG A 762 -4.651 -1.754 -10.235 1.00 0.00 C ATOM 333 NH1 ARG A 762 -5.161 -2.902 -10.661 1.00 0.00 N ATOM 334 NH2 ARG A 762 -4.015 -0.962 -11.089 1.00 0.00 N ATOM 0 H ARG A 762 -4.871 1.173 -5.227 1.00 0.00 H new ATOM 0 HA ARG A 762 -6.834 -0.460 -3.883 1.00 0.00 H new ATOM 0 HB2 ARG A 762 -6.630 -2.411 -5.230 1.00 0.00 H new ATOM 0 HB3 ARG A 762 -7.059 -1.106 -6.318 1.00 0.00 H new ATOM 0 HG2 ARG A 762 -4.393 -0.936 -6.576 1.00 0.00 H new ATOM 0 HG3 ARG A 762 -4.481 -2.615 -6.081 1.00 0.00 H new ATOM 0 HD2 ARG A 762 -5.223 -3.253 -8.111 1.00 0.00 H new ATOM 0 HD3 ARG A 762 -6.532 -2.089 -8.062 1.00 0.00 H new ATOM 0 HE ARG A 762 -4.370 -0.502 -8.672 1.00 0.00 H new ATOM 0 HH11 ARG A 762 -5.652 -3.515 -10.010 1.00 0.00 H new ATOM 0 HH12 ARG A 762 -5.063 -3.172 -11.640 1.00 0.00 H new ATOM 0 HH21 ARG A 762 -3.621 -0.078 -10.768 1.00 0.00 H new ATOM 0 HH22 ARG A 762 -3.920 -1.238 -12.066 1.00 0.00 H new ATOM 348 N ALA A 763 -4.947 -1.381 -2.572 1.00 0.00 N ATOM 349 CA ALA A 763 -3.838 -1.794 -1.726 1.00 0.00 C ATOM 350 C ALA A 763 -3.635 -3.303 -1.778 1.00 0.00 C ATOM 351 O ALA A 763 -4.195 -4.045 -0.971 1.00 0.00 O ATOM 352 CB ALA A 763 -4.072 -1.343 -0.292 1.00 0.00 C ATOM 0 H ALA A 763 -5.869 -1.517 -2.157 1.00 0.00 H new ATOM 0 HA ALA A 763 -2.932 -1.320 -2.104 1.00 0.00 H new ATOM 0 HB1 ALA A 763 -3.234 -1.659 0.330 1.00 0.00 H new ATOM 0 HB2 ALA A 763 -4.157 -0.257 -0.262 1.00 0.00 H new ATOM 0 HB3 ALA A 763 -4.992 -1.790 0.084 1.00 0.00 H new ATOM 358 N SER A 764 -2.813 -3.748 -2.719 1.00 0.00 N ATOM 359 CA SER A 764 -2.516 -5.167 -2.863 1.00 0.00 C ATOM 360 C SER A 764 -1.020 -5.390 -2.731 1.00 0.00 C ATOM 361 O SER A 764 -0.233 -4.867 -3.516 1.00 0.00 O ATOM 362 CB SER A 764 -3.008 -5.683 -4.217 1.00 0.00 C ATOM 363 OG SER A 764 -4.336 -5.260 -4.471 1.00 0.00 O ATOM 0 H SER A 764 -2.340 -3.147 -3.394 1.00 0.00 H new ATOM 0 HA SER A 764 -3.033 -5.718 -2.077 1.00 0.00 H new ATOM 0 HB2 SER A 764 -2.350 -5.322 -5.008 1.00 0.00 H new ATOM 0 HB3 SER A 764 -2.960 -6.772 -4.234 1.00 0.00 H new ATOM 0 HG SER A 764 -4.627 -5.601 -5.343 1.00 0.00 H new ATOM 369 N ILE A 765 -0.631 -6.162 -1.727 1.00 0.00 N ATOM 370 CA ILE A 765 0.777 -6.437 -1.486 1.00 0.00 C ATOM 371 C ILE A 765 1.456 -7.002 -2.728 1.00 0.00 C ATOM 372 O ILE A 765 2.533 -6.551 -3.114 1.00 0.00 O ATOM 373 CB ILE A 765 0.975 -7.414 -0.316 1.00 0.00 C ATOM 374 CG1 ILE A 765 0.139 -6.989 0.895 1.00 0.00 C ATOM 375 CG2 ILE A 765 2.446 -7.480 0.048 1.00 0.00 C ATOM 376 CD1 ILE A 765 0.092 -8.031 1.991 1.00 0.00 C ATOM 0 H ILE A 765 -1.269 -6.608 -1.068 1.00 0.00 H new ATOM 0 HA ILE A 765 1.237 -5.482 -1.230 1.00 0.00 H new ATOM 0 HB ILE A 765 0.639 -8.404 -0.623 1.00 0.00 H new ATOM 0 HG12 ILE A 765 0.547 -6.064 1.302 1.00 0.00 H new ATOM 0 HG13 ILE A 765 -0.878 -6.772 0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 765 2.585 -8.173 0.878 1.00 0.00 H new ATOM 0 HG22 ILE A 765 3.019 -7.825 -0.813 1.00 0.00 H new ATOM 0 HG23 ILE A 765 2.793 -6.489 0.341 1.00 0.00 H new ATOM 0 HD11 ILE A 765 -0.517 -7.663 2.817 1.00 0.00 H new ATOM 0 HD12 ILE A 765 -0.344 -8.951 1.600 1.00 0.00 H new ATOM 0 HD13 ILE A 765 1.103 -8.231 2.346 1.00 0.00 H new ATOM 388 N SER A 766 0.820 -7.985 -3.353 1.00 0.00 N ATOM 389 CA SER A 766 1.367 -8.599 -4.554 1.00 0.00 C ATOM 390 C SER A 766 1.588 -7.549 -5.637 1.00 0.00 C ATOM 391 O SER A 766 2.599 -7.562 -6.341 1.00 0.00 O ATOM 392 CB SER A 766 0.429 -9.692 -5.064 1.00 0.00 C ATOM 393 OG SER A 766 -0.737 -9.134 -5.644 1.00 0.00 O ATOM 0 H SER A 766 -0.073 -8.373 -3.048 1.00 0.00 H new ATOM 0 HA SER A 766 2.328 -9.049 -4.305 1.00 0.00 H new ATOM 0 HB2 SER A 766 0.947 -10.306 -5.801 1.00 0.00 H new ATOM 0 HB3 SER A 766 0.150 -10.350 -4.241 1.00 0.00 H new ATOM 0 HG SER A 766 -1.320 -9.854 -5.964 1.00 0.00 H new ATOM 399 N ALA A 767 0.638 -6.631 -5.753 1.00 0.00 N ATOM 400 CA ALA A 767 0.727 -5.565 -6.737 1.00 0.00 C ATOM 401 C ALA A 767 1.797 -4.557 -6.340 1.00 0.00 C ATOM 402 O ALA A 767 2.507 -4.023 -7.192 1.00 0.00 O ATOM 403 CB ALA A 767 -0.622 -4.882 -6.901 1.00 0.00 C ATOM 0 H ALA A 767 -0.203 -6.605 -5.177 1.00 0.00 H new ATOM 0 HA ALA A 767 1.010 -6.001 -7.695 1.00 0.00 H new ATOM 0 HB1 ALA A 767 -0.539 -4.086 -7.641 1.00 0.00 H new ATOM 0 HB2 ALA A 767 -1.361 -5.611 -7.233 1.00 0.00 H new ATOM 0 HB3 ALA A 767 -0.934 -4.459 -5.946 1.00 0.00 H new ATOM 409 N VAL A 768 1.921 -4.311 -5.039 1.00 0.00 N ATOM 410 CA VAL A 768 2.923 -3.379 -4.540 1.00 0.00 C ATOM 411 C VAL A 768 4.318 -3.924 -4.791 1.00 0.00 C ATOM 412 O VAL A 768 5.195 -3.208 -5.262 1.00 0.00 O ATOM 413 CB VAL A 768 2.770 -3.097 -3.031 1.00 0.00 C ATOM 414 CG1 VAL A 768 3.809 -2.089 -2.571 1.00 0.00 C ATOM 415 CG2 VAL A 768 1.381 -2.590 -2.710 1.00 0.00 C ATOM 0 H VAL A 768 1.344 -4.742 -4.317 1.00 0.00 H new ATOM 0 HA VAL A 768 2.772 -2.444 -5.079 1.00 0.00 H new ATOM 0 HB VAL A 768 2.925 -4.035 -2.498 1.00 0.00 H new ATOM 0 HG11 VAL A 768 3.687 -1.902 -1.504 1.00 0.00 H new ATOM 0 HG12 VAL A 768 4.807 -2.485 -2.758 1.00 0.00 H new ATOM 0 HG13 VAL A 768 3.679 -1.157 -3.120 1.00 0.00 H new ATOM 0 HG21 VAL A 768 1.302 -2.400 -1.640 1.00 0.00 H new ATOM 0 HG22 VAL A 768 1.195 -1.666 -3.258 1.00 0.00 H new ATOM 0 HG23 VAL A 768 0.644 -3.339 -3.001 1.00 0.00 H new ATOM 425 N GLN A 769 4.520 -5.196 -4.471 1.00 0.00 N ATOM 426 CA GLN A 769 5.817 -5.819 -4.668 1.00 0.00 C ATOM 427 C GLN A 769 6.145 -5.908 -6.150 1.00 0.00 C ATOM 428 O GLN A 769 7.305 -5.801 -6.545 1.00 0.00 O ATOM 429 CB GLN A 769 5.865 -7.207 -4.020 1.00 0.00 C ATOM 430 CG GLN A 769 4.951 -8.227 -4.677 1.00 0.00 C ATOM 431 CD GLN A 769 5.642 -9.551 -4.935 1.00 0.00 C ATOM 432 OE1 GLN A 769 6.182 -10.151 -3.882 1.00 0.00 O flip ATOM 433 NE2 GLN A 769 5.691 -10.027 -6.069 1.00 0.00 N flip ATOM 0 H GLN A 769 3.807 -5.810 -4.077 1.00 0.00 H new ATOM 0 HA GLN A 769 6.569 -5.196 -4.184 1.00 0.00 H new ATOM 0 HB2 GLN A 769 6.890 -7.577 -4.054 1.00 0.00 H new ATOM 0 HB3 GLN A 769 5.594 -7.115 -2.968 1.00 0.00 H new ATOM 0 HG2 GLN A 769 4.082 -8.393 -4.040 1.00 0.00 H new ATOM 0 HG3 GLN A 769 4.583 -7.824 -5.620 1.00 0.00 H new ATOM 0 HE21 GLN A 769 5.262 -9.530 -6.850 1.00 0.00 H new ATOM 0 HE22 GLN A 769 6.161 -10.918 -6.228 1.00 0.00 H new ATOM 442 N ARG A 770 5.110 -6.097 -6.960 1.00 0.00 N ATOM 443 CA ARG A 770 5.273 -6.194 -8.401 1.00 0.00 C ATOM 444 C ARG A 770 5.658 -4.843 -9.003 1.00 0.00 C ATOM 445 O ARG A 770 6.518 -4.766 -9.880 1.00 0.00 O ATOM 446 CB ARG A 770 3.974 -6.703 -9.030 1.00 0.00 C ATOM 447 CG ARG A 770 4.027 -8.167 -9.427 1.00 0.00 C ATOM 448 CD ARG A 770 2.759 -8.596 -10.148 1.00 0.00 C ATOM 449 NE ARG A 770 2.686 -10.045 -10.315 1.00 0.00 N ATOM 450 CZ ARG A 770 3.362 -10.719 -11.241 1.00 0.00 C ATOM 451 NH1 ARG A 770 4.163 -10.081 -12.086 1.00 0.00 N ATOM 452 NH2 ARG A 770 3.238 -12.038 -11.324 1.00 0.00 N ATOM 0 H ARG A 770 4.146 -6.186 -6.639 1.00 0.00 H new ATOM 0 HA ARG A 770 6.079 -6.897 -8.613 1.00 0.00 H new ATOM 0 HB2 ARG A 770 3.156 -6.555 -8.325 1.00 0.00 H new ATOM 0 HB3 ARG A 770 3.747 -6.104 -9.912 1.00 0.00 H new ATOM 0 HG2 ARG A 770 4.889 -8.339 -10.072 1.00 0.00 H new ATOM 0 HG3 ARG A 770 4.166 -8.781 -8.537 1.00 0.00 H new ATOM 0 HD2 ARG A 770 1.890 -8.252 -9.588 1.00 0.00 H new ATOM 0 HD3 ARG A 770 2.718 -8.116 -11.126 1.00 0.00 H new ATOM 0 HE ARG A 770 2.081 -10.571 -9.684 1.00 0.00 H new ATOM 0 HH11 ARG A 770 4.263 -9.068 -12.027 1.00 0.00 H new ATOM 0 HH12 ARG A 770 4.678 -10.604 -12.794 1.00 0.00 H new ATOM 0 HH21 ARG A 770 2.624 -12.534 -10.678 1.00 0.00 H new ATOM 0 HH22 ARG A 770 3.756 -12.555 -12.034 1.00 0.00 H new ATOM 466 N LYS A 771 5.007 -3.782 -8.532 1.00 0.00 N ATOM 467 CA LYS A 771 5.272 -2.435 -9.031 1.00 0.00 C ATOM 468 C LYS A 771 6.545 -1.841 -8.430 1.00 0.00 C ATOM 469 O LYS A 771 7.312 -1.171 -9.121 1.00 0.00 O ATOM 470 CB LYS A 771 4.080 -1.521 -8.744 1.00 0.00 C ATOM 471 CG LYS A 771 3.751 -0.576 -9.887 1.00 0.00 C ATOM 472 CD LYS A 771 4.286 0.820 -9.620 1.00 0.00 C ATOM 473 CE LYS A 771 3.424 1.884 -10.280 1.00 0.00 C ATOM 474 NZ LYS A 771 3.952 3.255 -10.038 1.00 0.00 N ATOM 0 H LYS A 771 4.292 -3.829 -7.806 1.00 0.00 H new ATOM 0 HA LYS A 771 5.421 -2.510 -10.108 1.00 0.00 H new ATOM 0 HB2 LYS A 771 3.206 -2.135 -8.528 1.00 0.00 H new ATOM 0 HB3 LYS A 771 4.288 -0.936 -7.848 1.00 0.00 H new ATOM 0 HG2 LYS A 771 4.178 -0.960 -10.814 1.00 0.00 H new ATOM 0 HG3 LYS A 771 2.671 -0.533 -10.027 1.00 0.00 H new ATOM 0 HD2 LYS A 771 4.324 0.997 -8.545 1.00 0.00 H new ATOM 0 HD3 LYS A 771 5.308 0.896 -9.992 1.00 0.00 H new ATOM 0 HE2 LYS A 771 3.375 1.698 -11.353 1.00 0.00 H new ATOM 0 HE3 LYS A 771 2.405 1.815 -9.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 3.336 3.951 -10.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 3.975 3.443 -9.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 4.914 3.330 -10.425 1.00 0.00 H new ATOM 488 N LEU A 772 6.764 -2.086 -7.142 1.00 0.00 N ATOM 489 CA LEU A 772 7.947 -1.568 -6.457 1.00 0.00 C ATOM 490 C LEU A 772 9.129 -2.525 -6.573 1.00 0.00 C ATOM 491 O LEU A 772 10.248 -2.184 -6.188 1.00 0.00 O ATOM 492 CB LEU A 772 7.644 -1.305 -4.976 1.00 0.00 C ATOM 493 CG LEU A 772 7.487 0.171 -4.593 1.00 0.00 C ATOM 494 CD1 LEU A 772 6.024 0.577 -4.576 1.00 0.00 C ATOM 495 CD2 LEU A 772 8.124 0.436 -3.235 1.00 0.00 C ATOM 0 H LEU A 772 6.141 -2.638 -6.552 1.00 0.00 H new ATOM 0 HA LEU A 772 8.215 -0.630 -6.944 1.00 0.00 H new ATOM 0 HB2 LEU A 772 6.728 -1.832 -4.710 1.00 0.00 H new ATOM 0 HB3 LEU A 772 8.445 -1.736 -4.376 1.00 0.00 H new ATOM 0 HG LEU A 772 7.997 0.772 -5.345 1.00 0.00 H new ATOM 0 HD11 LEU A 772 5.941 1.629 -4.301 1.00 0.00 H new ATOM 0 HD12 LEU A 772 5.593 0.426 -5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 772 5.486 -0.031 -3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 772 8.005 1.488 -2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 772 7.639 -0.181 -2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 772 9.185 0.191 -3.277 1.00 0.00 H new ATOM 507 N LYS A 773 8.882 -3.727 -7.084 1.00 0.00 N ATOM 508 CA LYS A 773 9.939 -4.719 -7.218 1.00 0.00 C ATOM 509 C LYS A 773 10.523 -5.038 -5.848 1.00 0.00 C ATOM 510 O LYS A 773 11.739 -5.156 -5.687 1.00 0.00 O ATOM 511 CB LYS A 773 11.037 -4.213 -8.156 1.00 0.00 C ATOM 512 CG LYS A 773 10.623 -4.186 -9.619 1.00 0.00 C ATOM 513 CD LYS A 773 11.832 -4.209 -10.541 1.00 0.00 C ATOM 514 CE LYS A 773 12.616 -2.909 -10.464 1.00 0.00 C ATOM 515 NZ LYS A 773 13.366 -2.637 -11.721 1.00 0.00 N ATOM 0 H LYS A 773 7.966 -4.035 -7.410 1.00 0.00 H new ATOM 0 HA LYS A 773 9.515 -5.627 -7.646 1.00 0.00 H new ATOM 0 HB2 LYS A 773 11.329 -3.208 -7.851 1.00 0.00 H new ATOM 0 HB3 LYS A 773 11.917 -4.847 -8.048 1.00 0.00 H new ATOM 0 HG2 LYS A 773 9.984 -5.043 -9.833 1.00 0.00 H new ATOM 0 HG3 LYS A 773 10.032 -3.291 -9.815 1.00 0.00 H new ATOM 0 HD2 LYS A 773 12.480 -5.043 -10.272 1.00 0.00 H new ATOM 0 HD3 LYS A 773 11.505 -4.378 -11.567 1.00 0.00 H new ATOM 0 HE2 LYS A 773 11.932 -2.084 -10.264 1.00 0.00 H new ATOM 0 HE3 LYS A 773 13.314 -2.955 -9.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 773 13.887 -1.742 -11.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 773 14.037 -3.411 -11.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 773 12.698 -2.568 -12.515 1.00 0.00 H new ATOM 529 N ILE A 774 9.641 -5.174 -4.862 1.00 0.00 N ATOM 530 CA ILE A 774 10.058 -5.477 -3.497 1.00 0.00 C ATOM 531 C ILE A 774 9.611 -6.879 -3.098 1.00 0.00 C ATOM 532 O ILE A 774 9.084 -7.627 -3.921 1.00 0.00 O ATOM 533 CB ILE A 774 9.488 -4.456 -2.483 1.00 0.00 C ATOM 534 CG1 ILE A 774 7.970 -4.359 -2.618 1.00 0.00 C ATOM 535 CG2 ILE A 774 10.124 -3.094 -2.686 1.00 0.00 C ATOM 536 CD1 ILE A 774 7.320 -3.428 -1.614 1.00 0.00 C ATOM 0 H ILE A 774 8.633 -5.079 -4.983 1.00 0.00 H new ATOM 0 HA ILE A 774 11.146 -5.417 -3.476 1.00 0.00 H new ATOM 0 HB ILE A 774 9.725 -4.802 -1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 774 7.726 -4.019 -3.624 1.00 0.00 H new ATOM 0 HG13 ILE A 774 7.541 -5.355 -2.505 1.00 0.00 H new ATOM 0 HG21 ILE A 774 9.711 -2.389 -1.965 1.00 0.00 H new ATOM 0 HG22 ILE A 774 11.202 -3.171 -2.543 1.00 0.00 H new ATOM 0 HG23 ILE A 774 9.916 -2.742 -3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 774 6.242 -3.414 -1.775 1.00 0.00 H new ATOM 0 HD12 ILE A 774 7.531 -3.778 -0.604 1.00 0.00 H new ATOM 0 HD13 ILE A 774 7.719 -2.421 -1.740 1.00 0.00 H new ATOM 548 N GLY A 775 9.821 -7.228 -1.836 1.00 0.00 N ATOM 549 CA GLY A 775 9.428 -8.539 -1.358 1.00 0.00 C ATOM 550 C GLY A 775 8.008 -8.550 -0.834 1.00 0.00 C ATOM 551 O GLY A 775 7.537 -7.555 -0.286 1.00 0.00 O ATOM 0 H GLY A 775 10.256 -6.628 -1.135 1.00 0.00 H new ATOM 0 HA2 GLY A 775 9.521 -9.263 -2.168 1.00 0.00 H new ATOM 0 HA3 GLY A 775 10.108 -8.856 -0.568 1.00 0.00 H new ATOM 555 N TYR A 776 7.320 -9.674 -1.000 1.00 0.00 N ATOM 556 CA TYR A 776 5.942 -9.797 -0.536 1.00 0.00 C ATOM 557 C TYR A 776 5.837 -9.439 0.944 1.00 0.00 C ATOM 558 O TYR A 776 4.910 -8.744 1.361 1.00 0.00 O ATOM 559 CB TYR A 776 5.424 -11.218 -0.767 1.00 0.00 C ATOM 560 CG TYR A 776 4.029 -11.445 -0.229 1.00 0.00 C ATOM 561 CD1 TYR A 776 3.820 -11.687 1.122 1.00 0.00 C ATOM 562 CD2 TYR A 776 2.924 -11.411 -1.069 1.00 0.00 C ATOM 563 CE1 TYR A 776 2.549 -11.891 1.622 1.00 0.00 C ATOM 564 CE2 TYR A 776 1.649 -11.613 -0.577 1.00 0.00 C ATOM 565 CZ TYR A 776 1.466 -11.852 0.768 1.00 0.00 C ATOM 566 OH TYR A 776 0.197 -12.054 1.262 1.00 0.00 O ATOM 0 H TYR A 776 7.691 -10.510 -1.450 1.00 0.00 H new ATOM 0 HA TYR A 776 5.329 -9.101 -1.108 1.00 0.00 H new ATOM 0 HB2 TYR A 776 5.432 -11.430 -1.836 1.00 0.00 H new ATOM 0 HB3 TYR A 776 6.106 -11.926 -0.297 1.00 0.00 H new ATOM 0 HD1 TYR A 776 4.666 -11.716 1.793 1.00 0.00 H new ATOM 0 HD2 TYR A 776 3.063 -11.224 -2.123 1.00 0.00 H new ATOM 0 HE1 TYR A 776 2.404 -12.080 2.675 1.00 0.00 H new ATOM 0 HE2 TYR A 776 0.800 -11.584 -1.243 1.00 0.00 H new ATOM 0 HH TYR A 776 -0.452 -11.993 0.531 1.00 0.00 H new ATOM 576 N ASN A 777 6.795 -9.915 1.729 1.00 0.00 N ATOM 577 CA ASN A 777 6.814 -9.646 3.161 1.00 0.00 C ATOM 578 C ASN A 777 6.994 -8.156 3.433 1.00 0.00 C ATOM 579 O ASN A 777 6.270 -7.573 4.240 1.00 0.00 O ATOM 580 CB ASN A 777 7.936 -10.438 3.836 1.00 0.00 C ATOM 581 CG ASN A 777 7.511 -11.849 4.193 1.00 0.00 C ATOM 582 OD1 ASN A 777 6.339 -12.107 4.465 1.00 0.00 O ATOM 583 ND2 ASN A 777 8.466 -12.773 4.193 1.00 0.00 N ATOM 0 H ASN A 777 7.570 -10.490 1.398 1.00 0.00 H new ATOM 0 HA ASN A 777 5.856 -9.960 3.576 1.00 0.00 H new ATOM 0 HB2 ASN A 777 8.799 -10.478 3.172 1.00 0.00 H new ATOM 0 HB3 ASN A 777 8.253 -9.917 4.739 1.00 0.00 H new ATOM 0 HD21 ASN A 777 8.240 -13.740 4.425 1.00 0.00 H new ATOM 0 HD22 ASN A 777 9.425 -12.515 3.961 1.00 0.00 H new ATOM 590 N ARG A 778 7.961 -7.542 2.756 1.00 0.00 N ATOM 591 CA ARG A 778 8.228 -6.121 2.932 1.00 0.00 C ATOM 592 C ARG A 778 7.023 -5.287 2.513 1.00 0.00 C ATOM 593 O ARG A 778 6.564 -4.420 3.258 1.00 0.00 O ATOM 594 CB ARG A 778 9.461 -5.719 2.119 1.00 0.00 C ATOM 595 CG ARG A 778 9.654 -4.217 1.988 1.00 0.00 C ATOM 596 CD ARG A 778 10.711 -3.882 0.952 1.00 0.00 C ATOM 597 NE ARG A 778 11.693 -2.926 1.462 1.00 0.00 N ATOM 598 CZ ARG A 778 12.883 -3.268 1.955 1.00 0.00 C ATOM 599 NH1 ARG A 778 13.245 -4.544 2.024 1.00 0.00 N ATOM 600 NH2 ARG A 778 13.713 -2.328 2.387 1.00 0.00 N ATOM 0 H ARG A 778 8.570 -8.007 2.083 1.00 0.00 H new ATOM 0 HA ARG A 778 8.420 -5.932 3.988 1.00 0.00 H new ATOM 0 HB2 ARG A 778 10.347 -6.149 2.586 1.00 0.00 H new ATOM 0 HB3 ARG A 778 9.383 -6.153 1.122 1.00 0.00 H new ATOM 0 HG2 ARG A 778 8.709 -3.750 1.710 1.00 0.00 H new ATOM 0 HG3 ARG A 778 9.943 -3.800 2.953 1.00 0.00 H new ATOM 0 HD2 ARG A 778 11.220 -4.796 0.645 1.00 0.00 H new ATOM 0 HD3 ARG A 778 10.231 -3.470 0.064 1.00 0.00 H new ATOM 0 HE ARG A 778 11.452 -1.935 1.439 1.00 0.00 H new ATOM 0 HH11 ARG A 778 12.610 -5.273 1.698 1.00 0.00 H new ATOM 0 HH12 ARG A 778 14.158 -4.795 2.403 1.00 0.00 H new ATOM 0 HH21 ARG A 778 13.440 -1.346 2.341 1.00 0.00 H new ATOM 0 HH22 ARG A 778 14.624 -2.587 2.765 1.00 0.00 H new ATOM 614 N ALA A 779 6.511 -5.559 1.320 1.00 0.00 N ATOM 615 CA ALA A 779 5.354 -4.843 0.801 1.00 0.00 C ATOM 616 C ALA A 779 4.194 -4.918 1.790 1.00 0.00 C ATOM 617 O ALA A 779 3.590 -3.904 2.128 1.00 0.00 O ATOM 618 CB ALA A 779 4.947 -5.405 -0.552 1.00 0.00 C ATOM 0 H ALA A 779 6.880 -6.273 0.692 1.00 0.00 H new ATOM 0 HA ALA A 779 5.622 -3.795 0.669 1.00 0.00 H new ATOM 0 HB1 ALA A 779 4.081 -4.860 -0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 779 5.774 -5.299 -1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 779 4.694 -6.460 -0.447 1.00 0.00 H new ATOM 624 N ALA A 780 3.900 -6.130 2.258 1.00 0.00 N ATOM 625 CA ALA A 780 2.824 -6.344 3.220 1.00 0.00 C ATOM 626 C ALA A 780 3.028 -5.486 4.465 1.00 0.00 C ATOM 627 O ALA A 780 2.087 -4.873 4.967 1.00 0.00 O ATOM 628 CB ALA A 780 2.743 -7.814 3.602 1.00 0.00 C ATOM 0 H ALA A 780 4.394 -6.980 1.985 1.00 0.00 H new ATOM 0 HA ALA A 780 1.885 -6.048 2.752 1.00 0.00 H new ATOM 0 HB1 ALA A 780 1.936 -7.959 4.320 1.00 0.00 H new ATOM 0 HB2 ALA A 780 2.548 -8.411 2.711 1.00 0.00 H new ATOM 0 HB3 ALA A 780 3.687 -8.126 4.049 1.00 0.00 H new ATOM 634 N ARG A 781 4.265 -5.440 4.956 1.00 0.00 N ATOM 635 CA ARG A 781 4.585 -4.647 6.138 1.00 0.00 C ATOM 636 C ARG A 781 4.243 -3.184 5.891 1.00 0.00 C ATOM 637 O ARG A 781 3.580 -2.541 6.705 1.00 0.00 O ATOM 638 CB ARG A 781 6.069 -4.781 6.492 1.00 0.00 C ATOM 639 CG ARG A 781 6.512 -6.218 6.724 1.00 0.00 C ATOM 640 CD ARG A 781 7.197 -6.382 8.072 1.00 0.00 C ATOM 641 NE ARG A 781 7.232 -7.778 8.502 1.00 0.00 N ATOM 642 CZ ARG A 781 8.075 -8.251 9.418 1.00 0.00 C ATOM 643 NH1 ARG A 781 8.951 -7.445 10.004 1.00 0.00 N ATOM 644 NH2 ARG A 781 8.039 -9.535 9.749 1.00 0.00 N ATOM 0 H ARG A 781 5.058 -5.941 4.555 1.00 0.00 H new ATOM 0 HA ARG A 781 3.993 -5.019 6.974 1.00 0.00 H new ATOM 0 HB2 ARG A 781 6.666 -4.351 5.688 1.00 0.00 H new ATOM 0 HB3 ARG A 781 6.274 -4.197 7.389 1.00 0.00 H new ATOM 0 HG2 ARG A 781 5.647 -6.879 6.672 1.00 0.00 H new ATOM 0 HG3 ARG A 781 7.194 -6.522 5.930 1.00 0.00 H new ATOM 0 HD2 ARG A 781 8.214 -5.996 8.011 1.00 0.00 H new ATOM 0 HD3 ARG A 781 6.674 -5.785 8.819 1.00 0.00 H new ATOM 0 HE ARG A 781 6.572 -8.428 8.076 1.00 0.00 H new ATOM 0 HH11 ARG A 781 8.982 -6.457 9.754 1.00 0.00 H new ATOM 0 HH12 ARG A 781 9.594 -7.814 10.705 1.00 0.00 H new ATOM 0 HH21 ARG A 781 7.366 -10.158 9.302 1.00 0.00 H new ATOM 0 HH22 ARG A 781 8.684 -9.899 10.450 1.00 0.00 H new ATOM 658 N MET A 782 4.688 -2.673 4.750 1.00 0.00 N ATOM 659 CA MET A 782 4.418 -1.293 4.373 1.00 0.00 C ATOM 660 C MET A 782 2.926 -1.104 4.154 1.00 0.00 C ATOM 661 O MET A 782 2.365 -0.056 4.468 1.00 0.00 O ATOM 662 CB MET A 782 5.212 -0.935 3.118 1.00 0.00 C ATOM 663 CG MET A 782 6.708 -1.097 3.321 1.00 0.00 C ATOM 664 SD MET A 782 7.709 -0.289 2.058 1.00 0.00 S ATOM 665 CE MET A 782 6.920 -0.846 0.552 1.00 0.00 C ATOM 0 H MET A 782 5.239 -3.196 4.069 1.00 0.00 H new ATOM 0 HA MET A 782 4.732 -0.625 5.175 1.00 0.00 H new ATOM 0 HB2 MET A 782 4.888 -1.568 2.292 1.00 0.00 H new ATOM 0 HB3 MET A 782 4.995 0.095 2.834 1.00 0.00 H new ATOM 0 HG2 MET A 782 6.978 -0.694 4.297 1.00 0.00 H new ATOM 0 HG3 MET A 782 6.949 -2.160 3.337 1.00 0.00 H new ATOM 0 HE1 MET A 782 7.344 -0.313 -0.299 1.00 0.00 H new ATOM 0 HE2 MET A 782 7.085 -1.916 0.429 1.00 0.00 H new ATOM 0 HE3 MET A 782 5.850 -0.648 0.607 1.00 0.00 H new ATOM 675 N ILE A 783 2.281 -2.143 3.643 1.00 0.00 N ATOM 676 CA ILE A 783 0.848 -2.112 3.416 1.00 0.00 C ATOM 677 C ILE A 783 0.136 -2.011 4.764 1.00 0.00 C ATOM 678 O ILE A 783 -0.876 -1.318 4.906 1.00 0.00 O ATOM 679 CB ILE A 783 0.393 -3.367 2.634 1.00 0.00 C ATOM 680 CG1 ILE A 783 0.794 -3.241 1.159 1.00 0.00 C ATOM 681 CG2 ILE A 783 -1.106 -3.598 2.761 1.00 0.00 C ATOM 682 CD1 ILE A 783 -0.109 -2.321 0.352 1.00 0.00 C ATOM 0 H ILE A 783 2.731 -3.019 3.378 1.00 0.00 H new ATOM 0 HA ILE A 783 0.590 -1.243 2.811 1.00 0.00 H new ATOM 0 HB ILE A 783 0.894 -4.232 3.069 1.00 0.00 H new ATOM 0 HG12 ILE A 783 1.818 -2.872 1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 783 0.786 -4.232 0.705 1.00 0.00 H new ATOM 0 HG21 ILE A 783 -1.386 -4.488 2.198 1.00 0.00 H new ATOM 0 HG22 ILE A 783 -1.365 -3.736 3.811 1.00 0.00 H new ATOM 0 HG23 ILE A 783 -1.642 -2.735 2.365 1.00 0.00 H new ATOM 0 HD11 ILE A 783 0.239 -2.284 -0.680 1.00 0.00 H new ATOM 0 HD12 ILE A 783 -1.131 -2.700 0.377 1.00 0.00 H new ATOM 0 HD13 ILE A 783 -0.083 -1.319 0.780 1.00 0.00 H new ATOM 694 N GLU A 784 0.708 -2.672 5.768 1.00 0.00 N ATOM 695 CA GLU A 784 0.165 -2.620 7.115 1.00 0.00 C ATOM 696 C GLU A 784 0.241 -1.187 7.612 1.00 0.00 C ATOM 697 O GLU A 784 -0.716 -0.647 8.169 1.00 0.00 O ATOM 698 CB GLU A 784 0.955 -3.538 8.047 1.00 0.00 C ATOM 699 CG GLU A 784 0.177 -3.969 9.277 1.00 0.00 C ATOM 700 CD GLU A 784 0.600 -3.222 10.527 1.00 0.00 C ATOM 701 OE1 GLU A 784 1.582 -3.652 11.172 1.00 0.00 O ATOM 702 OE2 GLU A 784 -0.048 -2.209 10.863 1.00 0.00 O ATOM 0 H GLU A 784 1.545 -3.247 5.671 1.00 0.00 H new ATOM 0 HA GLU A 784 -0.871 -2.958 7.104 1.00 0.00 H new ATOM 0 HB2 GLU A 784 1.264 -4.425 7.494 1.00 0.00 H new ATOM 0 HB3 GLU A 784 1.864 -3.026 8.363 1.00 0.00 H new ATOM 0 HG2 GLU A 784 -0.887 -3.807 9.104 1.00 0.00 H new ATOM 0 HG3 GLU A 784 0.315 -5.039 9.433 1.00 0.00 H new ATOM 709 N ALA A 785 1.393 -0.571 7.368 1.00 0.00 N ATOM 710 CA ALA A 785 1.618 0.814 7.746 1.00 0.00 C ATOM 711 C ALA A 785 0.592 1.705 7.067 1.00 0.00 C ATOM 712 O ALA A 785 0.152 2.707 7.626 1.00 0.00 O ATOM 713 CB ALA A 785 3.026 1.251 7.367 1.00 0.00 C ATOM 0 H ALA A 785 2.188 -1.015 6.907 1.00 0.00 H new ATOM 0 HA ALA A 785 1.511 0.904 8.827 1.00 0.00 H new ATOM 0 HB1 ALA A 785 3.175 2.291 7.658 1.00 0.00 H new ATOM 0 HB2 ALA A 785 3.753 0.622 7.881 1.00 0.00 H new ATOM 0 HB3 ALA A 785 3.160 1.153 6.290 1.00 0.00 H new ATOM 719 N MET A 786 0.206 1.319 5.853 1.00 0.00 N ATOM 720 CA MET A 786 -0.782 2.070 5.096 1.00 0.00 C ATOM 721 C MET A 786 -2.129 2.009 5.799 1.00 0.00 C ATOM 722 O MET A 786 -2.861 2.993 5.853 1.00 0.00 O ATOM 723 CB MET A 786 -0.902 1.522 3.673 1.00 0.00 C ATOM 724 CG MET A 786 0.100 2.130 2.713 1.00 0.00 C ATOM 725 SD MET A 786 -0.193 1.654 0.999 1.00 0.00 S ATOM 726 CE MET A 786 1.261 0.663 0.669 1.00 0.00 C ATOM 0 H MET A 786 0.564 0.491 5.376 1.00 0.00 H new ATOM 0 HA MET A 786 -0.459 3.109 5.036 1.00 0.00 H new ATOM 0 HB2 MET A 786 -0.765 0.441 3.694 1.00 0.00 H new ATOM 0 HB3 MET A 786 -1.910 1.709 3.302 1.00 0.00 H new ATOM 0 HG2 MET A 786 0.061 3.216 2.795 1.00 0.00 H new ATOM 0 HG3 MET A 786 1.105 1.824 3.003 1.00 0.00 H new ATOM 0 HE1 MET A 786 1.208 0.266 -0.345 1.00 0.00 H new ATOM 0 HE2 MET A 786 2.153 1.281 0.771 1.00 0.00 H new ATOM 0 HE3 MET A 786 1.308 -0.162 1.380 1.00 0.00 H new ATOM 736 N GLU A 787 -2.445 0.843 6.346 1.00 0.00 N ATOM 737 CA GLU A 787 -3.701 0.659 7.063 1.00 0.00 C ATOM 738 C GLU A 787 -3.758 1.574 8.281 1.00 0.00 C ATOM 739 O GLU A 787 -4.730 2.300 8.487 1.00 0.00 O ATOM 740 CB GLU A 787 -3.856 -0.797 7.500 1.00 0.00 C ATOM 741 CG GLU A 787 -4.845 -1.573 6.654 1.00 0.00 C ATOM 742 CD GLU A 787 -5.452 -2.749 7.395 1.00 0.00 C ATOM 743 OE1 GLU A 787 -4.832 -3.833 7.401 1.00 0.00 O ATOM 744 OE2 GLU A 787 -6.548 -2.585 7.972 1.00 0.00 O ATOM 0 H GLU A 787 -1.853 0.014 6.308 1.00 0.00 H new ATOM 0 HA GLU A 787 -4.520 0.916 6.391 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -2.884 -1.289 7.454 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -4.178 -0.825 8.541 1.00 0.00 H new ATOM 0 HG2 GLU A 787 -5.641 -0.904 6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 787 -4.344 -1.934 5.756 1.00 0.00 H new ATOM 751 N MET A 788 -2.707 1.519 9.084 1.00 0.00 N ATOM 752 CA MET A 788 -2.610 2.326 10.295 1.00 0.00 C ATOM 753 C MET A 788 -2.476 3.813 9.970 1.00 0.00 C ATOM 754 O MET A 788 -3.033 4.664 10.664 1.00 0.00 O ATOM 755 CB MET A 788 -1.406 1.875 11.121 1.00 0.00 C ATOM 756 CG MET A 788 -1.622 0.567 11.862 1.00 0.00 C ATOM 757 SD MET A 788 -0.221 0.122 12.911 1.00 0.00 S ATOM 758 CE MET A 788 1.157 0.547 11.846 1.00 0.00 C ATOM 0 H MET A 788 -1.900 0.918 8.918 1.00 0.00 H new ATOM 0 HA MET A 788 -3.528 2.184 10.865 1.00 0.00 H new ATOM 0 HB2 MET A 788 -0.545 1.769 10.461 1.00 0.00 H new ATOM 0 HB3 MET A 788 -1.161 2.654 11.843 1.00 0.00 H new ATOM 0 HG2 MET A 788 -2.520 0.645 12.475 1.00 0.00 H new ATOM 0 HG3 MET A 788 -1.798 -0.230 11.140 1.00 0.00 H new ATOM 0 HE1 MET A 788 2.075 0.121 12.251 1.00 0.00 H new ATOM 0 HE2 MET A 788 0.982 0.147 10.847 1.00 0.00 H new ATOM 0 HE3 MET A 788 1.253 1.631 11.791 1.00 0.00 H new ATOM 768 N ALA A 789 -1.721 4.115 8.922 1.00 0.00 N ATOM 769 CA ALA A 789 -1.493 5.497 8.506 1.00 0.00 C ATOM 770 C ALA A 789 -2.741 6.118 7.890 1.00 0.00 C ATOM 771 O ALA A 789 -2.871 7.341 7.832 1.00 0.00 O ATOM 772 CB ALA A 789 -0.344 5.558 7.512 1.00 0.00 C ATOM 0 H ALA A 789 -1.253 3.420 8.341 1.00 0.00 H new ATOM 0 HA ALA A 789 -1.240 6.071 9.397 1.00 0.00 H new ATOM 0 HB1 ALA A 789 -0.181 6.592 7.207 1.00 0.00 H new ATOM 0 HB2 ALA A 789 0.562 5.170 7.978 1.00 0.00 H new ATOM 0 HB3 ALA A 789 -0.588 4.956 6.637 1.00 0.00 H new ATOM 778 N GLY A 790 -3.647 5.274 7.416 1.00 0.00 N ATOM 779 CA GLY A 790 -4.861 5.768 6.793 1.00 0.00 C ATOM 780 C GLY A 790 -4.713 5.898 5.289 1.00 0.00 C ATOM 781 O GLY A 790 -5.506 6.574 4.633 1.00 0.00 O ATOM 0 H GLY A 790 -3.564 4.258 7.451 1.00 0.00 H new ATOM 0 HA2 GLY A 790 -5.686 5.092 7.019 1.00 0.00 H new ATOM 0 HA3 GLY A 790 -5.118 6.738 7.218 1.00 0.00 H new ATOM 785 N VAL A 791 -3.691 5.244 4.744 1.00 0.00 N ATOM 786 CA VAL A 791 -3.422 5.273 3.314 1.00 0.00 C ATOM 787 C VAL A 791 -4.269 4.244 2.587 1.00 0.00 C ATOM 788 O VAL A 791 -4.686 4.459 1.449 1.00 0.00 O ATOM 789 CB VAL A 791 -1.937 5.004 3.020 1.00 0.00 C ATOM 790 CG1 VAL A 791 -1.607 5.338 1.575 1.00 0.00 C ATOM 791 CG2 VAL A 791 -1.055 5.795 3.975 1.00 0.00 C ATOM 0 H VAL A 791 -3.030 4.682 5.280 1.00 0.00 H new ATOM 0 HA VAL A 791 -3.677 6.271 2.957 1.00 0.00 H new ATOM 0 HB VAL A 791 -1.741 3.943 3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 791 -0.551 5.141 1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 791 -2.214 4.723 0.911 1.00 0.00 H new ATOM 0 HG13 VAL A 791 -1.818 6.391 1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 791 -0.007 5.593 3.754 1.00 0.00 H new ATOM 0 HG22 VAL A 791 -1.253 6.860 3.855 1.00 0.00 H new ATOM 0 HG23 VAL A 791 -1.273 5.499 5.001 1.00 0.00 H new ATOM 801 N VAL A 792 -4.529 3.128 3.253 1.00 0.00 N ATOM 802 CA VAL A 792 -5.338 2.070 2.666 1.00 0.00 C ATOM 803 C VAL A 792 -6.350 1.525 3.665 1.00 0.00 C ATOM 804 O VAL A 792 -6.039 1.339 4.842 1.00 0.00 O ATOM 805 CB VAL A 792 -4.463 0.916 2.147 1.00 0.00 C ATOM 806 CG1 VAL A 792 -3.441 1.434 1.151 1.00 0.00 C ATOM 807 CG2 VAL A 792 -3.774 0.198 3.296 1.00 0.00 C ATOM 0 H VAL A 792 -4.193 2.932 4.196 1.00 0.00 H new ATOM 0 HA VAL A 792 -5.873 2.513 1.826 1.00 0.00 H new ATOM 0 HB VAL A 792 -5.109 0.199 1.640 1.00 0.00 H new ATOM 0 HG11 VAL A 792 -2.830 0.606 0.793 1.00 0.00 H new ATOM 0 HG12 VAL A 792 -3.956 1.896 0.308 1.00 0.00 H new ATOM 0 HG13 VAL A 792 -2.803 2.173 1.636 1.00 0.00 H new ATOM 0 HG21 VAL A 792 -3.162 -0.613 2.903 1.00 0.00 H new ATOM 0 HG22 VAL A 792 -3.141 0.901 3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 792 -4.525 -0.209 3.973 1.00 0.00 H new ATOM 817 N THR A 793 -7.559 1.261 3.185 1.00 0.00 N ATOM 818 CA THR A 793 -8.614 0.724 4.032 1.00 0.00 C ATOM 819 C THR A 793 -8.472 -0.794 4.132 1.00 0.00 C ATOM 820 O THR A 793 -7.799 -1.410 3.305 1.00 0.00 O ATOM 821 CB THR A 793 -9.997 1.088 3.474 1.00 0.00 C ATOM 822 OG1 THR A 793 -10.386 0.173 2.469 1.00 0.00 O ATOM 823 CG2 THR A 793 -10.071 2.479 2.878 1.00 0.00 C ATOM 0 H THR A 793 -7.832 1.410 2.214 1.00 0.00 H new ATOM 0 HA THR A 793 -8.520 1.162 5.026 1.00 0.00 H new ATOM 0 HB THR A 793 -10.666 1.049 4.333 1.00 0.00 H new ATOM 0 HG1 THR A 793 -11.340 -0.031 2.564 1.00 0.00 H new ATOM 0 HG21 THR A 793 -11.079 2.662 2.505 1.00 0.00 H new ATOM 0 HG22 THR A 793 -9.828 3.216 3.643 1.00 0.00 H new ATOM 0 HG23 THR A 793 -9.360 2.561 2.056 1.00 0.00 H new ATOM 831 N PRO A 794 -9.099 -1.428 5.137 1.00 0.00 N ATOM 832 CA PRO A 794 -9.022 -2.881 5.311 1.00 0.00 C ATOM 833 C PRO A 794 -9.539 -3.633 4.089 1.00 0.00 C ATOM 834 O PRO A 794 -10.164 -3.048 3.205 1.00 0.00 O ATOM 835 CB PRO A 794 -9.910 -3.157 6.530 1.00 0.00 C ATOM 836 CG PRO A 794 -10.762 -1.943 6.668 1.00 0.00 C ATOM 837 CD PRO A 794 -9.928 -0.797 6.175 1.00 0.00 C ATOM 0 HA PRO A 794 -7.994 -3.218 5.443 1.00 0.00 H new ATOM 0 HB2 PRO A 794 -10.517 -4.050 6.382 1.00 0.00 H new ATOM 0 HB3 PRO A 794 -9.311 -3.323 7.425 1.00 0.00 H new ATOM 0 HG2 PRO A 794 -11.677 -2.040 6.084 1.00 0.00 H new ATOM 0 HG3 PRO A 794 -11.060 -1.791 7.705 1.00 0.00 H new ATOM 0 HD2 PRO A 794 -10.543 0.007 5.770 1.00 0.00 H new ATOM 0 HD3 PRO A 794 -9.322 -0.365 6.971 1.00 0.00 H new ATOM 845 N MET A 795 -9.268 -4.932 4.046 1.00 0.00 N ATOM 846 CA MET A 795 -9.695 -5.771 2.937 1.00 0.00 C ATOM 847 C MET A 795 -11.216 -5.821 2.837 1.00 0.00 C ATOM 848 O MET A 795 -11.923 -5.529 3.801 1.00 0.00 O ATOM 849 CB MET A 795 -9.136 -7.183 3.109 1.00 0.00 C ATOM 850 CG MET A 795 -7.668 -7.212 3.504 1.00 0.00 C ATOM 851 SD MET A 795 -7.401 -7.890 5.155 1.00 0.00 S ATOM 852 CE MET A 795 -5.774 -8.613 4.966 1.00 0.00 C ATOM 0 H MET A 795 -8.751 -5.428 4.772 1.00 0.00 H new ATOM 0 HA MET A 795 -9.310 -5.338 2.014 1.00 0.00 H new ATOM 0 HB2 MET A 795 -9.718 -7.705 3.868 1.00 0.00 H new ATOM 0 HB3 MET A 795 -9.264 -7.732 2.176 1.00 0.00 H new ATOM 0 HG2 MET A 795 -7.113 -7.806 2.778 1.00 0.00 H new ATOM 0 HG3 MET A 795 -7.265 -6.200 3.462 1.00 0.00 H new ATOM 0 HE1 MET A 795 -5.469 -9.073 5.906 1.00 0.00 H new ATOM 0 HE2 MET A 795 -5.801 -9.371 4.183 1.00 0.00 H new ATOM 0 HE3 MET A 795 -5.060 -7.836 4.694 1.00 0.00 H new ATOM 862 N ASN A 796 -11.713 -6.197 1.661 1.00 0.00 N ATOM 863 CA ASN A 796 -13.150 -6.288 1.431 1.00 0.00 C ATOM 864 C ASN A 796 -13.607 -7.743 1.428 1.00 0.00 C ATOM 865 O ASN A 796 -12.792 -8.660 1.541 1.00 0.00 O ATOM 866 CB ASN A 796 -13.518 -5.623 0.104 1.00 0.00 C ATOM 867 CG ASN A 796 -13.385 -4.120 0.152 1.00 0.00 C ATOM 868 OD1 ASN A 796 -13.524 -3.503 1.208 1.00 0.00 O ATOM 869 ND2 ASN A 796 -13.113 -3.523 -0.999 1.00 0.00 N ATOM 0 H ASN A 796 -11.141 -6.443 0.853 1.00 0.00 H new ATOM 0 HA ASN A 796 -13.658 -5.767 2.243 1.00 0.00 H new ATOM 0 HB2 ASN A 796 -12.877 -6.016 -0.685 1.00 0.00 H new ATOM 0 HB3 ASN A 796 -14.543 -5.885 -0.158 1.00 0.00 H new ATOM 0 HD21 ASN A 796 -13.010 -2.509 -1.036 1.00 0.00 H new ATOM 0 HD22 ASN A 796 -13.007 -4.077 -1.848 1.00 0.00 H new ATOM 876 N THR A 797 -14.913 -7.950 1.297 1.00 0.00 N ATOM 877 CA THR A 797 -15.477 -9.293 1.280 1.00 0.00 C ATOM 878 C THR A 797 -14.939 -10.095 0.099 1.00 0.00 C ATOM 879 O THR A 797 -14.737 -11.306 0.198 1.00 0.00 O ATOM 880 CB THR A 797 -17.003 -9.229 1.213 1.00 0.00 C ATOM 881 OG1 THR A 797 -17.429 -8.719 -0.038 1.00 0.00 O ATOM 882 CG2 THR A 797 -17.612 -8.361 2.293 1.00 0.00 C ATOM 0 H THR A 797 -15.601 -7.203 1.201 1.00 0.00 H new ATOM 0 HA THR A 797 -15.182 -9.794 2.202 1.00 0.00 H new ATOM 0 HB THR A 797 -17.342 -10.255 1.358 1.00 0.00 H new ATOM 0 HG1 THR A 797 -18.408 -8.687 -0.062 1.00 0.00 H new ATOM 0 HG21 THR A 797 -18.697 -8.358 2.189 1.00 0.00 H new ATOM 0 HG22 THR A 797 -17.342 -8.756 3.272 1.00 0.00 H new ATOM 0 HG23 THR A 797 -17.236 -7.343 2.196 1.00 0.00 H new ATOM 890 N ASN A 798 -14.708 -9.413 -1.019 1.00 0.00 N ATOM 891 CA ASN A 798 -14.193 -10.063 -2.218 1.00 0.00 C ATOM 892 C ASN A 798 -12.694 -10.336 -2.098 1.00 0.00 C ATOM 893 O ASN A 798 -12.141 -11.147 -2.842 1.00 0.00 O ATOM 894 CB ASN A 798 -14.471 -9.199 -3.451 1.00 0.00 C ATOM 895 CG ASN A 798 -15.300 -9.920 -4.489 1.00 0.00 C ATOM 896 OD1 ASN A 798 -16.083 -10.814 -4.169 1.00 0.00 O ATOM 897 ND2 ASN A 798 -15.127 -9.531 -5.744 1.00 0.00 N ATOM 0 H ASN A 798 -14.869 -8.411 -1.119 1.00 0.00 H new ATOM 0 HA ASN A 798 -14.706 -11.019 -2.328 1.00 0.00 H new ATOM 0 HB2 ASN A 798 -14.989 -8.290 -3.144 1.00 0.00 H new ATOM 0 HB3 ASN A 798 -13.525 -8.892 -3.896 1.00 0.00 H new ATOM 0 HD21 ASN A 798 -15.655 -9.978 -6.494 1.00 0.00 H new ATOM 0 HD22 ASN A 798 -14.466 -8.785 -5.960 1.00 0.00 H new ATOM 904 N GLY A 799 -12.041 -9.655 -1.160 1.00 0.00 N ATOM 905 CA GLY A 799 -10.616 -9.842 -0.967 1.00 0.00 C ATOM 906 C GLY A 799 -9.795 -8.741 -1.605 1.00 0.00 C ATOM 907 O GLY A 799 -8.650 -8.961 -2.000 1.00 0.00 O ATOM 0 H GLY A 799 -12.474 -8.978 -0.532 1.00 0.00 H new ATOM 0 HA2 GLY A 799 -10.399 -9.880 0.101 1.00 0.00 H new ATOM 0 HA3 GLY A 799 -10.319 -10.803 -1.387 1.00 0.00 H new ATOM 911 N SER A 800 -10.380 -7.552 -1.707 1.00 0.00 N ATOM 912 CA SER A 800 -9.693 -6.412 -2.303 1.00 0.00 C ATOM 913 C SER A 800 -9.711 -5.212 -1.363 1.00 0.00 C ATOM 914 O SER A 800 -10.759 -4.834 -0.839 1.00 0.00 O ATOM 915 CB SER A 800 -10.342 -6.038 -3.636 1.00 0.00 C ATOM 916 OG SER A 800 -10.273 -7.111 -4.558 1.00 0.00 O ATOM 0 H SER A 800 -11.327 -7.353 -1.385 1.00 0.00 H new ATOM 0 HA SER A 800 -8.656 -6.698 -2.478 1.00 0.00 H new ATOM 0 HB2 SER A 800 -11.384 -5.763 -3.472 1.00 0.00 H new ATOM 0 HB3 SER A 800 -9.843 -5.163 -4.054 1.00 0.00 H new ATOM 0 HG SER A 800 -10.697 -6.846 -5.401 1.00 0.00 H new ATOM 922 N ARG A 801 -8.541 -4.617 -1.155 1.00 0.00 N ATOM 923 CA ARG A 801 -8.417 -3.458 -0.280 1.00 0.00 C ATOM 924 C ARG A 801 -8.785 -2.175 -1.010 1.00 0.00 C ATOM 925 O ARG A 801 -8.954 -2.161 -2.229 1.00 0.00 O ATOM 926 CB ARG A 801 -6.989 -3.339 0.253 1.00 0.00 C ATOM 927 CG ARG A 801 -6.758 -4.066 1.562 1.00 0.00 C ATOM 928 CD ARG A 801 -5.306 -4.495 1.702 1.00 0.00 C ATOM 929 NE ARG A 801 -4.920 -4.703 3.095 1.00 0.00 N ATOM 930 CZ ARG A 801 -4.160 -3.862 3.794 1.00 0.00 C ATOM 931 NH1 ARG A 801 -3.744 -2.718 3.259 1.00 0.00 N ATOM 932 NH2 ARG A 801 -3.824 -4.160 5.041 1.00 0.00 N ATOM 0 H ARG A 801 -7.665 -4.919 -1.581 1.00 0.00 H new ATOM 0 HA ARG A 801 -9.107 -3.601 0.552 1.00 0.00 H new ATOM 0 HB2 ARG A 801 -6.299 -3.730 -0.495 1.00 0.00 H new ATOM 0 HB3 ARG A 801 -6.749 -2.284 0.388 1.00 0.00 H new ATOM 0 HG2 ARG A 801 -7.031 -3.417 2.395 1.00 0.00 H new ATOM 0 HG3 ARG A 801 -7.406 -4.941 1.615 1.00 0.00 H new ATOM 0 HD2 ARG A 801 -5.146 -5.416 1.142 1.00 0.00 H new ATOM 0 HD3 ARG A 801 -4.661 -3.736 1.258 1.00 0.00 H new ATOM 0 HE ARG A 801 -5.254 -5.546 3.562 1.00 0.00 H new ATOM 0 HH11 ARG A 801 -4.007 -2.477 2.303 1.00 0.00 H new ATOM 0 HH12 ARG A 801 -3.162 -2.082 3.804 1.00 0.00 H new ATOM 0 HH21 ARG A 801 -4.147 -5.031 5.462 1.00 0.00 H new ATOM 0 HH22 ARG A 801 -3.242 -3.518 5.580 1.00 0.00 H new ATOM 946 N GLU A 802 -8.888 -1.095 -0.248 1.00 0.00 N ATOM 947 CA GLU A 802 -9.215 0.212 -0.803 1.00 0.00 C ATOM 948 C GLU A 802 -8.220 1.251 -0.299 1.00 0.00 C ATOM 949 O GLU A 802 -7.467 0.993 0.638 1.00 0.00 O ATOM 950 CB GLU A 802 -10.643 0.616 -0.428 1.00 0.00 C ATOM 951 CG GLU A 802 -11.633 0.483 -1.574 1.00 0.00 C ATOM 952 CD GLU A 802 -13.015 0.990 -1.213 1.00 0.00 C ATOM 953 OE1 GLU A 802 -13.106 1.949 -0.418 1.00 0.00 O ATOM 954 OE2 GLU A 802 -14.006 0.429 -1.726 1.00 0.00 O ATOM 0 H GLU A 802 -8.749 -1.098 0.762 1.00 0.00 H new ATOM 0 HA GLU A 802 -9.152 0.157 -1.890 1.00 0.00 H new ATOM 0 HB2 GLU A 802 -10.979 -0.001 0.405 1.00 0.00 H new ATOM 0 HB3 GLU A 802 -10.640 1.649 -0.079 1.00 0.00 H new ATOM 0 HG2 GLU A 802 -11.261 1.036 -2.436 1.00 0.00 H new ATOM 0 HG3 GLU A 802 -11.700 -0.563 -1.871 1.00 0.00 H new ATOM 961 N VAL A 803 -8.210 2.421 -0.926 1.00 0.00 N ATOM 962 CA VAL A 803 -7.294 3.481 -0.527 1.00 0.00 C ATOM 963 C VAL A 803 -8.029 4.635 0.140 1.00 0.00 C ATOM 964 O VAL A 803 -9.066 5.091 -0.342 1.00 0.00 O ATOM 965 CB VAL A 803 -6.498 4.024 -1.729 1.00 0.00 C ATOM 966 CG1 VAL A 803 -5.459 5.036 -1.269 1.00 0.00 C ATOM 967 CG2 VAL A 803 -5.839 2.884 -2.491 1.00 0.00 C ATOM 0 H VAL A 803 -8.821 2.658 -1.707 1.00 0.00 H new ATOM 0 HA VAL A 803 -6.603 3.036 0.189 1.00 0.00 H new ATOM 0 HB VAL A 803 -7.191 4.529 -2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 803 -4.907 5.408 -2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 803 -5.957 5.868 -0.770 1.00 0.00 H new ATOM 0 HG13 VAL A 803 -4.768 4.558 -0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 803 -5.281 3.286 -3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 803 -5.158 2.349 -1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 803 -6.605 2.199 -2.854 1.00 0.00 H new ATOM 977 N ILE A 804 -7.471 5.113 1.247 1.00 0.00 N ATOM 978 CA ILE A 804 -8.057 6.229 1.980 1.00 0.00 C ATOM 979 C ILE A 804 -7.277 7.510 1.704 1.00 0.00 C ATOM 980 O ILE A 804 -7.828 8.610 1.753 1.00 0.00 O ATOM 981 CB ILE A 804 -8.098 5.983 3.510 1.00 0.00 C ATOM 982 CG1 ILE A 804 -7.361 4.693 3.891 1.00 0.00 C ATOM 983 CG2 ILE A 804 -9.537 5.939 3.996 1.00 0.00 C ATOM 984 CD1 ILE A 804 -7.392 4.394 5.374 1.00 0.00 C ATOM 0 H ILE A 804 -6.613 4.744 1.657 1.00 0.00 H new ATOM 0 HA ILE A 804 -9.084 6.326 1.629 1.00 0.00 H new ATOM 0 HB ILE A 804 -7.585 6.812 3.998 1.00 0.00 H new ATOM 0 HG12 ILE A 804 -7.806 3.857 3.351 1.00 0.00 H new ATOM 0 HG13 ILE A 804 -6.323 4.767 3.565 1.00 0.00 H new ATOM 0 HG21 ILE A 804 -9.552 5.766 5.072 1.00 0.00 H new ATOM 0 HG22 ILE A 804 -10.025 6.888 3.774 1.00 0.00 H new ATOM 0 HG23 ILE A 804 -10.067 5.132 3.491 1.00 0.00 H new ATOM 0 HD11 ILE A 804 -6.852 3.468 5.570 1.00 0.00 H new ATOM 0 HD12 ILE A 804 -6.921 5.211 5.920 1.00 0.00 H new ATOM 0 HD13 ILE A 804 -8.426 4.287 5.702 1.00 0.00 H new ATOM 996 N ALA A 805 -5.989 7.355 1.410 1.00 0.00 N ATOM 997 CA ALA A 805 -5.128 8.488 1.120 1.00 0.00 C ATOM 998 C ALA A 805 -5.279 8.930 -0.334 1.00 0.00 C ATOM 999 O ALA A 805 -5.100 8.131 -1.253 1.00 0.00 O ATOM 1000 CB ALA A 805 -3.678 8.137 1.416 1.00 0.00 C ATOM 0 H ALA A 805 -5.521 6.450 1.367 1.00 0.00 H new ATOM 0 HA ALA A 805 -5.429 9.317 1.761 1.00 0.00 H new ATOM 0 HB1 ALA A 805 -3.043 8.995 1.194 1.00 0.00 H new ATOM 0 HB2 ALA A 805 -3.575 7.872 2.468 1.00 0.00 H new ATOM 0 HB3 ALA A 805 -3.375 7.292 0.798 1.00 0.00 H new ATOM 1006 N PRO A 806 -5.606 10.211 -0.563 1.00 0.00 N ATOM 1007 CA PRO A 806 -5.774 10.755 -1.915 1.00 0.00 C ATOM 1008 C PRO A 806 -4.470 10.742 -2.704 1.00 0.00 C ATOM 1009 O PRO A 806 -3.389 10.594 -2.136 1.00 0.00 O ATOM 1010 CB PRO A 806 -6.240 12.193 -1.672 1.00 0.00 C ATOM 1011 CG PRO A 806 -5.763 12.518 -0.301 1.00 0.00 C ATOM 1012 CD PRO A 806 -5.833 11.233 0.472 1.00 0.00 C ATOM 0 HA PRO A 806 -6.474 10.166 -2.507 1.00 0.00 H new ATOM 0 HB2 PRO A 806 -5.819 12.876 -2.410 1.00 0.00 H new ATOM 0 HB3 PRO A 806 -7.325 12.275 -1.744 1.00 0.00 H new ATOM 0 HG2 PRO A 806 -4.745 12.906 -0.323 1.00 0.00 H new ATOM 0 HG3 PRO A 806 -6.386 13.285 0.158 1.00 0.00 H new ATOM 0 HD2 PRO A 806 -5.075 11.191 1.254 1.00 0.00 H new ATOM 0 HD3 PRO A 806 -6.800 11.107 0.958 1.00 0.00 H new ATOM 1020 N ALA A 807 -4.582 10.893 -4.018 1.00 0.00 N ATOM 1021 CA ALA A 807 -3.413 10.895 -4.889 1.00 0.00 C ATOM 1022 C ALA A 807 -2.798 12.287 -4.985 1.00 0.00 C ATOM 1023 O ALA A 807 -3.485 13.293 -4.808 1.00 0.00 O ATOM 1024 CB ALA A 807 -3.785 10.386 -6.273 1.00 0.00 C ATOM 0 H ALA A 807 -5.470 11.016 -4.504 1.00 0.00 H new ATOM 0 HA ALA A 807 -2.669 10.228 -4.454 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -2.902 10.393 -6.913 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -4.169 9.369 -6.196 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -4.551 11.031 -6.704 1.00 0.00 H new