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 Set 1.1: A 798 ASN : amide:sc= -1.14 K(o=-1,f=-11!) USER MOD Set 1.2: A 800 SER OG : rot 81:sc= 0.107 USER MOD Single : A 744 SER OG : rot 180:sc= 0 USER MOD Single : A 750 TYR OH : rot 167:sc= -0.584 USER MOD Single : A 758 THR OG1 : rot -82:sc= -0.528 USER MOD Single : A 760 SER OG : rot -106:sc= 0.417 USER MOD Single : A 764 SER OG : rot 180:sc= 0 USER MOD Single : A 766 SER OG : rot 180:sc= 0 USER MOD Single : A 769 GLN : amide:sc= -1.61 K(o=-1.6,f=-0.015) USER MOD Single : A 771 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 773 LYS NZ :NH3+ 155:sc= -0.0636 (180deg=-0.356) USER MOD Single : A 776 TYR OH : rot 180:sc= 0 USER MOD Single : A 777 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.8!) USER MOD Single : A 782 MET CE :methyl -101:sc= -5.62! (180deg=-10.2!) USER MOD Single : A 786 MET CE :methyl 156:sc= -4.68 (180deg=-5.27!) USER MOD Single : A 788 MET CE :methyl -164:sc= 0 (180deg=-0.29) USER MOD Single : A 793 THR OG1 : rot 155:sc= -1.23 USER MOD Single : A 795 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 796 ASN : amide:sc= -0.124 K(o=-0.12,f=-1.7!) USER MOD Single : A 797 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLY A 743 8.272 -0.568 7.127 1.00 0.00 N ATOM 37 CA GLY A 743 6.887 -0.439 6.715 1.00 0.00 C ATOM 38 C GLY A 743 5.969 -0.064 7.861 1.00 0.00 C ATOM 39 O GLY A 743 5.042 -0.805 8.191 1.00 0.00 O ATOM 0 HA2 GLY A 743 6.814 0.317 5.933 1.00 0.00 H new ATOM 0 HA3 GLY A 743 6.552 -1.381 6.280 1.00 0.00 H new ATOM 43 N SER A 744 6.221 1.091 8.466 1.00 0.00 N ATOM 44 CA SER A 744 5.406 1.567 9.578 1.00 0.00 C ATOM 45 C SER A 744 4.738 2.887 9.215 1.00 0.00 C ATOM 46 O SER A 744 3.535 3.064 9.402 1.00 0.00 O ATOM 47 CB SER A 744 6.262 1.737 10.834 1.00 0.00 C ATOM 48 OG SER A 744 7.366 0.849 10.822 1.00 0.00 O ATOM 0 H SER A 744 6.984 1.716 8.205 1.00 0.00 H new ATOM 0 HA SER A 744 4.633 0.826 9.782 1.00 0.00 H new ATOM 0 HB2 SER A 744 6.619 2.765 10.899 1.00 0.00 H new ATOM 0 HB3 SER A 744 5.654 1.554 11.720 1.00 0.00 H new ATOM 0 HG SER A 744 7.899 0.978 11.634 1.00 0.00 H new ATOM 54 N GLU A 745 5.535 3.801 8.681 1.00 0.00 N ATOM 55 CA GLU A 745 5.043 5.107 8.266 1.00 0.00 C ATOM 56 C GLU A 745 5.994 5.729 7.257 1.00 0.00 C ATOM 57 O GLU A 745 5.579 6.180 6.189 1.00 0.00 O ATOM 58 CB GLU A 745 4.874 6.034 9.467 1.00 0.00 C ATOM 59 CG GLU A 745 4.006 7.245 9.170 1.00 0.00 C ATOM 60 CD GLU A 745 2.817 7.355 10.104 1.00 0.00 C ATOM 61 OE1 GLU A 745 2.076 6.358 10.242 1.00 0.00 O ATOM 62 OE2 GLU A 745 2.626 8.436 10.698 1.00 0.00 O ATOM 0 H GLU A 745 6.533 3.660 8.524 1.00 0.00 H new ATOM 0 HA GLU A 745 4.067 4.970 7.800 1.00 0.00 H new ATOM 0 HB2 GLU A 745 4.434 5.473 10.292 1.00 0.00 H new ATOM 0 HB3 GLU A 745 5.856 6.371 9.799 1.00 0.00 H new ATOM 0 HG2 GLU A 745 4.610 8.149 9.250 1.00 0.00 H new ATOM 0 HG3 GLU A 745 3.651 7.189 8.141 1.00 0.00 H new ATOM 69 N ASP A 746 7.276 5.733 7.596 1.00 0.00 N ATOM 70 CA ASP A 746 8.294 6.282 6.711 1.00 0.00 C ATOM 71 C ASP A 746 9.395 5.255 6.469 1.00 0.00 C ATOM 72 O ASP A 746 10.336 5.135 7.254 1.00 0.00 O ATOM 73 CB ASP A 746 8.887 7.561 7.306 1.00 0.00 C ATOM 74 CG ASP A 746 7.881 8.694 7.355 1.00 0.00 C ATOM 75 OD1 ASP A 746 6.965 8.638 8.203 1.00 0.00 O ATOM 76 OD2 ASP A 746 8.010 9.638 6.547 1.00 0.00 O ATOM 0 H ASP A 746 7.635 5.363 8.476 1.00 0.00 H new ATOM 0 HA ASP A 746 7.827 6.526 5.757 1.00 0.00 H new ATOM 0 HB2 ASP A 746 9.249 7.356 8.313 1.00 0.00 H new ATOM 0 HB3 ASP A 746 9.749 7.869 6.714 1.00 0.00 H new ATOM 81 N ASP A 747 9.264 4.524 5.372 1.00 0.00 N ATOM 82 CA ASP A 747 10.233 3.503 4.996 1.00 0.00 C ATOM 83 C ASP A 747 10.801 3.789 3.608 1.00 0.00 C ATOM 84 O ASP A 747 10.080 4.253 2.724 1.00 0.00 O ATOM 85 CB ASP A 747 9.573 2.121 5.019 1.00 0.00 C ATOM 86 CG ASP A 747 10.558 0.997 4.769 1.00 0.00 C ATOM 87 OD1 ASP A 747 10.981 0.827 3.605 1.00 0.00 O ATOM 88 OD2 ASP A 747 10.908 0.289 5.736 1.00 0.00 O ATOM 0 H ASP A 747 8.486 4.620 4.719 1.00 0.00 H new ATOM 0 HA ASP A 747 11.052 3.519 5.715 1.00 0.00 H new ATOM 0 HB2 ASP A 747 9.092 1.969 5.985 1.00 0.00 H new ATOM 0 HB3 ASP A 747 8.788 2.085 4.263 1.00 0.00 H new ATOM 93 N PRO A 748 12.103 3.513 3.393 1.00 0.00 N ATOM 94 CA PRO A 748 12.766 3.737 2.105 1.00 0.00 C ATOM 95 C PRO A 748 11.883 3.443 0.896 1.00 0.00 C ATOM 96 O PRO A 748 12.071 4.030 -0.170 1.00 0.00 O ATOM 97 CB PRO A 748 13.927 2.751 2.168 1.00 0.00 C ATOM 98 CG PRO A 748 14.313 2.736 3.607 1.00 0.00 C ATOM 99 CD PRO A 748 13.041 2.957 4.391 1.00 0.00 C ATOM 0 HA PRO A 748 13.049 4.781 1.971 1.00 0.00 H new ATOM 0 HB2 PRO A 748 13.628 1.761 1.825 1.00 0.00 H new ATOM 0 HB3 PRO A 748 14.756 3.070 1.536 1.00 0.00 H new ATOM 0 HG2 PRO A 748 14.775 1.786 3.876 1.00 0.00 H new ATOM 0 HG3 PRO A 748 15.042 3.517 3.822 1.00 0.00 H new ATOM 0 HD2 PRO A 748 12.667 2.026 4.816 1.00 0.00 H new ATOM 0 HD3 PRO A 748 13.197 3.646 5.221 1.00 0.00 H new ATOM 107 N LEU A 749 10.933 2.526 1.051 1.00 0.00 N ATOM 108 CA LEU A 749 10.054 2.166 -0.055 1.00 0.00 C ATOM 109 C LEU A 749 8.579 2.429 0.255 1.00 0.00 C ATOM 110 O LEU A 749 7.756 2.489 -0.660 1.00 0.00 O ATOM 111 CB LEU A 749 10.260 0.694 -0.405 1.00 0.00 C ATOM 112 CG LEU A 749 11.658 0.356 -0.926 1.00 0.00 C ATOM 113 CD1 LEU A 749 11.945 -1.130 -0.784 1.00 0.00 C ATOM 114 CD2 LEU A 749 11.801 0.798 -2.373 1.00 0.00 C ATOM 0 H LEU A 749 10.754 2.024 1.921 1.00 0.00 H new ATOM 0 HA LEU A 749 10.316 2.798 -0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 749 10.061 0.091 0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 749 9.526 0.406 -1.158 1.00 0.00 H new ATOM 0 HG LEU A 749 12.390 0.896 -0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 749 12.945 -1.345 -1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 749 11.885 -1.413 0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 749 11.211 -1.699 -1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 749 12.800 0.552 -2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 749 11.059 0.285 -2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 749 11.646 1.875 -2.442 1.00 0.00 H new ATOM 126 N TYR A 750 8.236 2.595 1.533 1.00 0.00 N ATOM 127 CA TYR A 750 6.843 2.846 1.903 1.00 0.00 C ATOM 128 C TYR A 750 6.275 4.015 1.118 1.00 0.00 C ATOM 129 O TYR A 750 5.214 3.905 0.527 1.00 0.00 O ATOM 130 CB TYR A 750 6.692 3.118 3.396 1.00 0.00 C ATOM 131 CG TYR A 750 5.267 3.418 3.817 1.00 0.00 C ATOM 132 CD1 TYR A 750 4.381 2.390 4.111 1.00 0.00 C ATOM 133 CD2 TYR A 750 4.814 4.726 3.940 1.00 0.00 C ATOM 134 CE1 TYR A 750 3.085 2.654 4.510 1.00 0.00 C ATOM 135 CE2 TYR A 750 3.521 4.999 4.347 1.00 0.00 C ATOM 136 CZ TYR A 750 2.661 3.959 4.629 1.00 0.00 C ATOM 137 OH TYR A 750 1.373 4.226 5.035 1.00 0.00 O ATOM 0 H TYR A 750 8.889 2.561 2.316 1.00 0.00 H new ATOM 0 HA TYR A 750 6.285 1.942 1.660 1.00 0.00 H new ATOM 0 HB2 TYR A 750 7.052 2.253 3.953 1.00 0.00 H new ATOM 0 HB3 TYR A 750 7.328 3.960 3.670 1.00 0.00 H new ATOM 0 HD1 TYR A 750 4.711 1.365 4.026 1.00 0.00 H new ATOM 0 HD2 TYR A 750 5.483 5.543 3.714 1.00 0.00 H new ATOM 0 HE1 TYR A 750 2.408 1.841 4.727 1.00 0.00 H new ATOM 0 HE2 TYR A 750 3.187 6.021 4.443 1.00 0.00 H new ATOM 0 HH TYR A 750 1.293 5.175 5.268 1.00 0.00 H new ATOM 147 N ASP A 751 6.988 5.133 1.106 1.00 0.00 N ATOM 148 CA ASP A 751 6.524 6.304 0.375 1.00 0.00 C ATOM 149 C ASP A 751 6.215 5.920 -1.067 1.00 0.00 C ATOM 150 O ASP A 751 5.261 6.419 -1.667 1.00 0.00 O ATOM 151 CB ASP A 751 7.584 7.406 0.405 1.00 0.00 C ATOM 152 CG ASP A 751 8.913 6.943 -0.159 1.00 0.00 C ATOM 153 OD1 ASP A 751 9.565 6.091 0.481 1.00 0.00 O ATOM 154 OD2 ASP A 751 9.302 7.433 -1.241 1.00 0.00 O ATOM 0 H ASP A 751 7.879 5.254 1.588 1.00 0.00 H new ATOM 0 HA ASP A 751 5.618 6.680 0.851 1.00 0.00 H new ATOM 0 HB2 ASP A 751 7.229 8.264 -0.166 1.00 0.00 H new ATOM 0 HB3 ASP A 751 7.725 7.743 1.432 1.00 0.00 H new ATOM 159 N GLU A 752 7.014 5.005 -1.607 1.00 0.00 N ATOM 160 CA GLU A 752 6.817 4.527 -2.964 1.00 0.00 C ATOM 161 C GLU A 752 5.569 3.652 -3.041 1.00 0.00 C ATOM 162 O GLU A 752 4.782 3.753 -3.982 1.00 0.00 O ATOM 163 CB GLU A 752 8.045 3.753 -3.436 1.00 0.00 C ATOM 164 CG GLU A 752 8.236 3.764 -4.943 1.00 0.00 C ATOM 165 CD GLU A 752 9.669 3.479 -5.350 1.00 0.00 C ATOM 166 OE1 GLU A 752 10.330 2.668 -4.668 1.00 0.00 O ATOM 167 OE2 GLU A 752 10.130 4.069 -6.349 1.00 0.00 O ATOM 0 H GLU A 752 7.805 4.581 -1.121 1.00 0.00 H new ATOM 0 HA GLU A 752 6.677 5.386 -3.621 1.00 0.00 H new ATOM 0 HB2 GLU A 752 8.932 4.175 -2.964 1.00 0.00 H new ATOM 0 HB3 GLU A 752 7.964 2.720 -3.097 1.00 0.00 H new ATOM 0 HG2 GLU A 752 7.579 3.021 -5.394 1.00 0.00 H new ATOM 0 HG3 GLU A 752 7.936 4.735 -5.337 1.00 0.00 H new ATOM 174 N ALA A 753 5.392 2.802 -2.030 1.00 0.00 N ATOM 175 CA ALA A 753 4.233 1.915 -1.965 1.00 0.00 C ATOM 176 C ALA A 753 2.958 2.730 -1.827 1.00 0.00 C ATOM 177 O ALA A 753 2.015 2.567 -2.599 1.00 0.00 O ATOM 178 CB ALA A 753 4.373 0.942 -0.803 1.00 0.00 C ATOM 0 H ALA A 753 6.037 2.710 -1.245 1.00 0.00 H new ATOM 0 HA ALA A 753 4.180 1.340 -2.889 1.00 0.00 H new ATOM 0 HB1 ALA A 753 3.501 0.288 -0.769 1.00 0.00 H new ATOM 0 HB2 ALA A 753 5.272 0.341 -0.938 1.00 0.00 H new ATOM 0 HB3 ALA A 753 4.446 1.499 0.131 1.00 0.00 H new ATOM 184 N VAL A 754 2.950 3.626 -0.847 1.00 0.00 N ATOM 185 CA VAL A 754 1.810 4.496 -0.608 1.00 0.00 C ATOM 186 C VAL A 754 1.490 5.274 -1.876 1.00 0.00 C ATOM 187 O VAL A 754 0.326 5.463 -2.227 1.00 0.00 O ATOM 188 CB VAL A 754 2.109 5.465 0.557 1.00 0.00 C ATOM 189 CG1 VAL A 754 1.225 6.698 0.513 1.00 0.00 C ATOM 190 CG2 VAL A 754 1.943 4.749 1.879 1.00 0.00 C ATOM 0 H VAL A 754 3.727 3.768 -0.202 1.00 0.00 H new ATOM 0 HA VAL A 754 0.947 3.889 -0.334 1.00 0.00 H new ATOM 0 HB VAL A 754 3.141 5.801 0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 754 1.470 7.351 1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 754 1.390 7.231 -0.423 1.00 0.00 H new ATOM 0 HG13 VAL A 754 0.179 6.398 0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 754 2.156 5.439 2.696 1.00 0.00 H new ATOM 0 HG22 VAL A 754 0.920 4.384 1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 754 2.634 3.907 1.926 1.00 0.00 H new ATOM 200 N ARG A 755 2.539 5.690 -2.575 1.00 0.00 N ATOM 201 CA ARG A 755 2.383 6.412 -3.826 1.00 0.00 C ATOM 202 C ARG A 755 1.838 5.468 -4.892 1.00 0.00 C ATOM 203 O ARG A 755 1.057 5.865 -5.756 1.00 0.00 O ATOM 204 CB ARG A 755 3.725 6.993 -4.275 1.00 0.00 C ATOM 205 CG ARG A 755 3.604 8.023 -5.386 1.00 0.00 C ATOM 206 CD ARG A 755 4.969 8.480 -5.877 1.00 0.00 C ATOM 207 NE ARG A 755 5.125 9.931 -5.793 1.00 0.00 N ATOM 208 CZ ARG A 755 6.137 10.601 -6.340 1.00 0.00 C ATOM 209 NH1 ARG A 755 7.082 9.957 -7.014 1.00 0.00 N ATOM 210 NH2 ARG A 755 6.205 11.918 -6.213 1.00 0.00 N ATOM 0 H ARG A 755 3.508 5.538 -2.294 1.00 0.00 H new ATOM 0 HA ARG A 755 1.683 7.234 -3.679 1.00 0.00 H new ATOM 0 HB2 ARG A 755 4.217 7.452 -3.418 1.00 0.00 H new ATOM 0 HB3 ARG A 755 4.368 6.180 -4.614 1.00 0.00 H new ATOM 0 HG2 ARG A 755 3.041 7.598 -6.217 1.00 0.00 H new ATOM 0 HG3 ARG A 755 3.040 8.883 -5.026 1.00 0.00 H new ATOM 0 HD2 ARG A 755 5.747 7.997 -5.286 1.00 0.00 H new ATOM 0 HD3 ARG A 755 5.108 8.160 -6.910 1.00 0.00 H new ATOM 0 HE ARG A 755 4.417 10.461 -5.285 1.00 0.00 H new ATOM 0 HH11 ARG A 755 7.035 8.943 -7.115 1.00 0.00 H new ATOM 0 HH12 ARG A 755 7.855 10.476 -7.431 1.00 0.00 H new ATOM 0 HH21 ARG A 755 5.482 12.419 -5.696 1.00 0.00 H new ATOM 0 HH22 ARG A 755 6.980 12.431 -6.632 1.00 0.00 H new ATOM 224 N PHE A 756 2.268 4.211 -4.816 1.00 0.00 N ATOM 225 CA PHE A 756 1.845 3.187 -5.762 1.00 0.00 C ATOM 226 C PHE A 756 0.362 2.843 -5.585 1.00 0.00 C ATOM 227 O PHE A 756 -0.380 2.757 -6.563 1.00 0.00 O ATOM 228 CB PHE A 756 2.713 1.931 -5.584 1.00 0.00 C ATOM 229 CG PHE A 756 2.025 0.651 -5.962 1.00 0.00 C ATOM 230 CD1 PHE A 756 2.065 0.181 -7.266 1.00 0.00 C ATOM 231 CD2 PHE A 756 1.333 -0.079 -5.011 1.00 0.00 C ATOM 232 CE1 PHE A 756 1.426 -0.993 -7.609 1.00 0.00 C ATOM 233 CE2 PHE A 756 0.695 -1.254 -5.352 1.00 0.00 C ATOM 234 CZ PHE A 756 0.741 -1.710 -6.652 1.00 0.00 C ATOM 0 H PHE A 756 2.915 3.877 -4.102 1.00 0.00 H new ATOM 0 HA PHE A 756 1.974 3.576 -6.772 1.00 0.00 H new ATOM 0 HB2 PHE A 756 3.615 2.038 -6.187 1.00 0.00 H new ATOM 0 HB3 PHE A 756 3.031 1.867 -4.543 1.00 0.00 H new ATOM 0 HD1 PHE A 756 2.601 0.739 -8.020 1.00 0.00 H new ATOM 0 HD2 PHE A 756 1.292 0.275 -3.991 1.00 0.00 H new ATOM 0 HE1 PHE A 756 1.463 -1.350 -8.628 1.00 0.00 H new ATOM 0 HE2 PHE A 756 0.160 -1.816 -4.601 1.00 0.00 H new ATOM 0 HZ PHE A 756 0.241 -2.629 -6.920 1.00 0.00 H new ATOM 244 N VAL A 757 -0.066 2.647 -4.338 1.00 0.00 N ATOM 245 CA VAL A 757 -1.455 2.316 -4.056 1.00 0.00 C ATOM 246 C VAL A 757 -2.355 3.520 -4.293 1.00 0.00 C ATOM 247 O VAL A 757 -3.446 3.396 -4.849 1.00 0.00 O ATOM 248 CB VAL A 757 -1.628 1.826 -2.606 1.00 0.00 C ATOM 249 CG1 VAL A 757 -3.051 1.351 -2.365 1.00 0.00 C ATOM 250 CG2 VAL A 757 -0.632 0.720 -2.295 1.00 0.00 C ATOM 0 H VAL A 757 0.530 2.712 -3.513 1.00 0.00 H new ATOM 0 HA VAL A 757 -1.742 1.513 -4.735 1.00 0.00 H new ATOM 0 HB VAL A 757 -1.432 2.663 -1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 757 -3.151 1.009 -1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 757 -3.744 2.173 -2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 757 -3.280 0.529 -3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 757 -0.769 0.386 -1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 757 -0.795 -0.118 -2.973 1.00 0.00 H new ATOM 0 HG23 VAL A 757 0.383 1.098 -2.422 1.00 0.00 H new ATOM 260 N THR A 758 -1.885 4.688 -3.871 1.00 0.00 N ATOM 261 CA THR A 758 -2.640 5.923 -4.038 1.00 0.00 C ATOM 262 C THR A 758 -2.853 6.238 -5.516 1.00 0.00 C ATOM 263 O THR A 758 -3.942 6.640 -5.924 1.00 0.00 O ATOM 264 CB THR A 758 -1.906 7.080 -3.364 1.00 0.00 C ATOM 265 OG1 THR A 758 -0.556 7.132 -3.787 1.00 0.00 O ATOM 266 CG2 THR A 758 -1.915 6.996 -1.853 1.00 0.00 C ATOM 0 H THR A 758 -0.983 4.805 -3.410 1.00 0.00 H new ATOM 0 HA THR A 758 -3.615 5.791 -3.570 1.00 0.00 H new ATOM 0 HB THR A 758 -2.446 7.978 -3.663 1.00 0.00 H new ATOM 0 HG1 THR A 758 -0.025 6.494 -3.266 1.00 0.00 H new ATOM 0 HG21 THR A 758 -1.377 7.848 -1.438 1.00 0.00 H new ATOM 0 HG22 THR A 758 -2.944 7.007 -1.494 1.00 0.00 H new ATOM 0 HG23 THR A 758 -1.431 6.072 -1.537 1.00 0.00 H new ATOM 274 N GLU A 759 -1.803 6.057 -6.310 1.00 0.00 N ATOM 275 CA GLU A 759 -1.872 6.327 -7.742 1.00 0.00 C ATOM 276 C GLU A 759 -2.591 5.204 -8.483 1.00 0.00 C ATOM 277 O GLU A 759 -3.458 5.457 -9.320 1.00 0.00 O ATOM 278 CB GLU A 759 -0.463 6.506 -8.313 1.00 0.00 C ATOM 279 CG GLU A 759 -0.410 7.406 -9.537 1.00 0.00 C ATOM 280 CD GLU A 759 1.009 7.699 -9.982 1.00 0.00 C ATOM 281 OE1 GLU A 759 1.881 7.880 -9.107 1.00 0.00 O ATOM 282 OE2 GLU A 759 1.249 7.747 -11.207 1.00 0.00 O ATOM 0 H GLU A 759 -0.894 5.725 -5.987 1.00 0.00 H new ATOM 0 HA GLU A 759 -2.440 7.247 -7.882 1.00 0.00 H new ATOM 0 HB2 GLU A 759 0.183 6.921 -7.539 1.00 0.00 H new ATOM 0 HB3 GLU A 759 -0.059 5.528 -8.574 1.00 0.00 H new ATOM 0 HG2 GLU A 759 -0.953 6.933 -10.355 1.00 0.00 H new ATOM 0 HG3 GLU A 759 -0.919 8.344 -9.316 1.00 0.00 H new ATOM 289 N SER A 760 -2.228 3.964 -8.172 1.00 0.00 N ATOM 290 CA SER A 760 -2.842 2.806 -8.813 1.00 0.00 C ATOM 291 C SER A 760 -4.284 2.636 -8.360 1.00 0.00 C ATOM 292 O SER A 760 -5.114 2.111 -9.099 1.00 0.00 O ATOM 293 CB SER A 760 -2.052 1.534 -8.494 1.00 0.00 C ATOM 294 OG SER A 760 -2.302 1.095 -7.170 1.00 0.00 O ATOM 0 H SER A 760 -1.513 3.735 -7.481 1.00 0.00 H new ATOM 0 HA SER A 760 -2.829 2.976 -9.890 1.00 0.00 H new ATOM 0 HB2 SER A 760 -2.324 0.748 -9.198 1.00 0.00 H new ATOM 0 HB3 SER A 760 -0.986 1.723 -8.622 1.00 0.00 H new ATOM 0 HG SER A 760 -1.522 1.287 -6.609 1.00 0.00 H new ATOM 300 N ARG A 761 -4.571 3.074 -7.137 1.00 0.00 N ATOM 301 CA ARG A 761 -5.909 2.961 -6.566 1.00 0.00 C ATOM 302 C ARG A 761 -6.226 1.503 -6.244 1.00 0.00 C ATOM 303 O ARG A 761 -7.385 1.088 -6.257 1.00 0.00 O ATOM 304 CB ARG A 761 -6.964 3.536 -7.522 1.00 0.00 C ATOM 305 CG ARG A 761 -7.474 4.908 -7.111 1.00 0.00 C ATOM 306 CD ARG A 761 -6.443 5.992 -7.384 1.00 0.00 C ATOM 307 NE ARG A 761 -7.007 7.103 -8.151 1.00 0.00 N ATOM 308 CZ ARG A 761 -7.200 8.328 -7.664 1.00 0.00 C ATOM 309 NH1 ARG A 761 -6.886 8.616 -6.406 1.00 0.00 N ATOM 310 NH2 ARG A 761 -7.711 9.273 -8.441 1.00 0.00 N ATOM 0 H ARG A 761 -3.889 3.513 -6.519 1.00 0.00 H new ATOM 0 HA ARG A 761 -5.935 3.540 -5.643 1.00 0.00 H new ATOM 0 HB2 ARG A 761 -6.538 3.601 -8.523 1.00 0.00 H new ATOM 0 HB3 ARG A 761 -7.806 2.846 -7.578 1.00 0.00 H new ATOM 0 HG2 ARG A 761 -8.392 5.133 -7.653 1.00 0.00 H new ATOM 0 HG3 ARG A 761 -7.724 4.901 -6.050 1.00 0.00 H new ATOM 0 HD2 ARG A 761 -6.051 6.366 -6.438 1.00 0.00 H new ATOM 0 HD3 ARG A 761 -5.603 5.564 -7.930 1.00 0.00 H new ATOM 0 HE ARG A 761 -7.269 6.928 -9.121 1.00 0.00 H new ATOM 0 HH11 ARG A 761 -6.492 7.895 -5.801 1.00 0.00 H new ATOM 0 HH12 ARG A 761 -7.039 9.558 -6.045 1.00 0.00 H new ATOM 0 HH21 ARG A 761 -7.955 9.061 -9.408 1.00 0.00 H new ATOM 0 HH22 ARG A 761 -7.860 10.212 -8.071 1.00 0.00 H new ATOM 324 N ARG A 762 -5.181 0.732 -5.954 1.00 0.00 N ATOM 325 CA ARG A 762 -5.329 -0.682 -5.626 1.00 0.00 C ATOM 326 C ARG A 762 -4.259 -1.110 -4.630 1.00 0.00 C ATOM 327 O ARG A 762 -3.076 -1.172 -4.964 1.00 0.00 O ATOM 328 CB ARG A 762 -5.228 -1.544 -6.885 1.00 0.00 C ATOM 329 CG ARG A 762 -6.429 -1.422 -7.810 1.00 0.00 C ATOM 330 CD ARG A 762 -6.203 -0.377 -8.891 1.00 0.00 C ATOM 331 NE ARG A 762 -4.857 -0.449 -9.463 1.00 0.00 N ATOM 332 CZ ARG A 762 -4.478 -1.371 -10.344 1.00 0.00 C ATOM 333 NH1 ARG A 762 -5.335 -2.298 -10.754 1.00 0.00 N ATOM 334 NH2 ARG A 762 -3.239 -1.370 -10.817 1.00 0.00 N ATOM 0 H ARG A 762 -4.217 1.066 -5.940 1.00 0.00 H new ATOM 0 HA ARG A 762 -6.313 -0.823 -5.180 1.00 0.00 H new ATOM 0 HB2 ARG A 762 -4.329 -1.265 -7.434 1.00 0.00 H new ATOM 0 HB3 ARG A 762 -5.112 -2.587 -6.591 1.00 0.00 H new ATOM 0 HG2 ARG A 762 -6.631 -2.388 -8.274 1.00 0.00 H new ATOM 0 HG3 ARG A 762 -7.312 -1.158 -7.227 1.00 0.00 H new ATOM 0 HD2 ARG A 762 -6.939 -0.512 -9.683 1.00 0.00 H new ATOM 0 HD3 ARG A 762 -6.364 0.616 -8.472 1.00 0.00 H new ATOM 0 HE ARG A 762 -4.171 0.247 -9.169 1.00 0.00 H new ATOM 0 HH11 ARG A 762 -6.289 -2.306 -10.393 1.00 0.00 H new ATOM 0 HH12 ARG A 762 -5.039 -3.003 -11.430 1.00 0.00 H new ATOM 0 HH21 ARG A 762 -2.575 -0.661 -10.505 1.00 0.00 H new ATOM 0 HH22 ARG A 762 -2.950 -2.078 -11.492 1.00 0.00 H new ATOM 348 N ALA A 763 -4.679 -1.396 -3.407 1.00 0.00 N ATOM 349 CA ALA A 763 -3.761 -1.809 -2.366 1.00 0.00 C ATOM 350 C ALA A 763 -3.611 -3.327 -2.331 1.00 0.00 C ATOM 351 O ALA A 763 -4.340 -4.021 -1.622 1.00 0.00 O ATOM 352 CB ALA A 763 -4.243 -1.282 -1.027 1.00 0.00 C ATOM 0 H ALA A 763 -5.655 -1.348 -3.114 1.00 0.00 H new ATOM 0 HA ALA A 763 -2.777 -1.391 -2.581 1.00 0.00 H new ATOM 0 HB1 ALA A 763 -3.552 -1.593 -0.244 1.00 0.00 H new ATOM 0 HB2 ALA A 763 -4.289 -0.193 -1.060 1.00 0.00 H new ATOM 0 HB3 ALA A 763 -5.235 -1.681 -0.815 1.00 0.00 H new ATOM 358 N SER A 764 -2.648 -3.829 -3.097 1.00 0.00 N ATOM 359 CA SER A 764 -2.371 -5.261 -3.161 1.00 0.00 C ATOM 360 C SER A 764 -0.876 -5.492 -3.054 1.00 0.00 C ATOM 361 O SER A 764 -0.106 -5.020 -3.885 1.00 0.00 O ATOM 362 CB SER A 764 -2.905 -5.856 -4.465 1.00 0.00 C ATOM 363 OG SER A 764 -4.124 -5.243 -4.846 1.00 0.00 O ATOM 0 H SER A 764 -2.041 -3.260 -3.687 1.00 0.00 H new ATOM 0 HA SER A 764 -2.874 -5.756 -2.330 1.00 0.00 H new ATOM 0 HB2 SER A 764 -2.167 -5.726 -5.256 1.00 0.00 H new ATOM 0 HB3 SER A 764 -3.057 -6.929 -4.343 1.00 0.00 H new ATOM 0 HG SER A 764 -4.442 -5.641 -5.683 1.00 0.00 H new ATOM 369 N ILE A 765 -0.470 -6.209 -2.018 1.00 0.00 N ATOM 370 CA ILE A 765 0.942 -6.484 -1.787 1.00 0.00 C ATOM 371 C ILE A 765 1.636 -6.995 -3.044 1.00 0.00 C ATOM 372 O ILE A 765 2.662 -6.458 -3.453 1.00 0.00 O ATOM 373 CB ILE A 765 1.141 -7.512 -0.665 1.00 0.00 C ATOM 374 CG1 ILE A 765 0.212 -7.220 0.517 1.00 0.00 C ATOM 375 CG2 ILE A 765 2.593 -7.509 -0.223 1.00 0.00 C ATOM 376 CD1 ILE A 765 -0.888 -8.244 0.683 1.00 0.00 C ATOM 0 H ILE A 765 -1.098 -6.612 -1.322 1.00 0.00 H new ATOM 0 HA ILE A 765 1.389 -5.534 -1.494 1.00 0.00 H new ATOM 0 HB ILE A 765 0.888 -8.502 -1.046 1.00 0.00 H new ATOM 0 HG12 ILE A 765 0.802 -7.180 1.432 1.00 0.00 H new ATOM 0 HG13 ILE A 765 -0.236 -6.235 0.383 1.00 0.00 H new ATOM 0 HG21 ILE A 765 2.732 -8.240 0.574 1.00 0.00 H new ATOM 0 HG22 ILE A 765 3.231 -7.768 -1.068 1.00 0.00 H new ATOM 0 HG23 ILE A 765 2.860 -6.518 0.143 1.00 0.00 H new ATOM 0 HD11 ILE A 765 -1.508 -7.976 1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 765 -1.502 -8.268 -0.217 1.00 0.00 H new ATOM 0 HD13 ILE A 765 -0.448 -9.227 0.848 1.00 0.00 H new ATOM 388 N SER A 766 1.075 -8.032 -3.653 1.00 0.00 N ATOM 389 CA SER A 766 1.652 -8.605 -4.864 1.00 0.00 C ATOM 390 C SER A 766 1.864 -7.526 -5.921 1.00 0.00 C ATOM 391 O SER A 766 2.882 -7.504 -6.616 1.00 0.00 O ATOM 392 CB SER A 766 0.748 -9.710 -5.408 1.00 0.00 C ATOM 393 OG SER A 766 1.061 -10.011 -6.757 1.00 0.00 O ATOM 0 H SER A 766 0.224 -8.493 -3.330 1.00 0.00 H new ATOM 0 HA SER A 766 2.621 -9.036 -4.614 1.00 0.00 H new ATOM 0 HB2 SER A 766 0.858 -10.607 -4.798 1.00 0.00 H new ATOM 0 HB3 SER A 766 -0.294 -9.400 -5.334 1.00 0.00 H new ATOM 0 HG SER A 766 0.469 -10.722 -7.079 1.00 0.00 H new ATOM 399 N ALA A 767 0.901 -6.621 -6.026 1.00 0.00 N ATOM 400 CA ALA A 767 0.988 -5.530 -6.984 1.00 0.00 C ATOM 401 C ALA A 767 2.038 -4.518 -6.544 1.00 0.00 C ATOM 402 O ALA A 767 2.799 -4.004 -7.365 1.00 0.00 O ATOM 403 CB ALA A 767 -0.371 -4.870 -7.155 1.00 0.00 C ATOM 0 H ALA A 767 0.052 -6.621 -5.460 1.00 0.00 H new ATOM 0 HA ALA A 767 1.294 -5.933 -7.950 1.00 0.00 H new ATOM 0 HB1 ALA A 767 -0.292 -4.055 -7.875 1.00 0.00 H new ATOM 0 HB2 ALA A 767 -1.090 -5.605 -7.517 1.00 0.00 H new ATOM 0 HB3 ALA A 767 -0.707 -4.476 -6.196 1.00 0.00 H new ATOM 409 N VAL A 768 2.091 -4.248 -5.242 1.00 0.00 N ATOM 410 CA VAL A 768 3.070 -3.312 -4.703 1.00 0.00 C ATOM 411 C VAL A 768 4.476 -3.819 -4.965 1.00 0.00 C ATOM 412 O VAL A 768 5.327 -3.086 -5.459 1.00 0.00 O ATOM 413 CB VAL A 768 2.911 -3.098 -3.183 1.00 0.00 C ATOM 414 CG1 VAL A 768 3.890 -2.045 -2.686 1.00 0.00 C ATOM 415 CG2 VAL A 768 1.494 -2.698 -2.832 1.00 0.00 C ATOM 0 H VAL A 768 1.471 -4.662 -4.546 1.00 0.00 H new ATOM 0 HA VAL A 768 2.897 -2.360 -5.206 1.00 0.00 H new ATOM 0 HB VAL A 768 3.130 -4.045 -2.689 1.00 0.00 H new ATOM 0 HG11 VAL A 768 3.763 -1.908 -1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 768 4.910 -2.370 -2.892 1.00 0.00 H new ATOM 0 HG13 VAL A 768 3.700 -1.101 -3.197 1.00 0.00 H new ATOM 0 HG21 VAL A 768 1.413 -2.554 -1.755 1.00 0.00 H new ATOM 0 HG22 VAL A 768 1.241 -1.768 -3.342 1.00 0.00 H new ATOM 0 HG23 VAL A 768 0.806 -3.483 -3.146 1.00 0.00 H new ATOM 425 N GLN A 769 4.718 -5.079 -4.622 1.00 0.00 N ATOM 426 CA GLN A 769 6.029 -5.676 -4.816 1.00 0.00 C ATOM 427 C GLN A 769 6.384 -5.735 -6.293 1.00 0.00 C ATOM 428 O GLN A 769 7.551 -5.596 -6.664 1.00 0.00 O ATOM 429 CB GLN A 769 6.090 -7.075 -4.196 1.00 0.00 C ATOM 430 CG GLN A 769 5.117 -8.064 -4.813 1.00 0.00 C ATOM 431 CD GLN A 769 5.759 -9.401 -5.125 1.00 0.00 C ATOM 432 OE1 GLN A 769 5.815 -9.821 -6.281 1.00 0.00 O ATOM 433 NE2 GLN A 769 6.245 -10.080 -4.094 1.00 0.00 N ATOM 0 H GLN A 769 4.025 -5.703 -4.210 1.00 0.00 H new ATOM 0 HA GLN A 769 6.761 -5.045 -4.311 1.00 0.00 H new ATOM 0 HB2 GLN A 769 7.103 -7.464 -4.300 1.00 0.00 H new ATOM 0 HB3 GLN A 769 5.886 -6.998 -3.128 1.00 0.00 H new ATOM 0 HG2 GLN A 769 4.281 -8.218 -4.131 1.00 0.00 H new ATOM 0 HG3 GLN A 769 4.707 -7.640 -5.730 1.00 0.00 H new ATOM 0 HE21 GLN A 769 6.177 -9.695 -3.152 1.00 0.00 H new ATOM 0 HE22 GLN A 769 6.686 -10.987 -4.243 1.00 0.00 H new ATOM 442 N ARG A 770 5.373 -5.939 -7.129 1.00 0.00 N ATOM 443 CA ARG A 770 5.572 -6.017 -8.567 1.00 0.00 C ATOM 444 C ARG A 770 5.965 -4.657 -9.146 1.00 0.00 C ATOM 445 O ARG A 770 6.849 -4.567 -9.997 1.00 0.00 O ATOM 446 CB ARG A 770 4.296 -6.531 -9.234 1.00 0.00 C ATOM 447 CG ARG A 770 4.382 -7.987 -9.657 1.00 0.00 C ATOM 448 CD ARG A 770 3.336 -8.329 -10.704 1.00 0.00 C ATOM 449 NE ARG A 770 3.612 -9.608 -11.356 1.00 0.00 N ATOM 450 CZ ARG A 770 3.437 -10.790 -10.772 1.00 0.00 C ATOM 451 NH1 ARG A 770 2.983 -10.863 -9.526 1.00 0.00 N ATOM 452 NH2 ARG A 770 3.716 -11.905 -11.434 1.00 0.00 N ATOM 0 H ARG A 770 4.404 -6.054 -6.832 1.00 0.00 H new ATOM 0 HA ARG A 770 6.389 -6.711 -8.766 1.00 0.00 H new ATOM 0 HB2 ARG A 770 3.460 -6.409 -8.545 1.00 0.00 H new ATOM 0 HB3 ARG A 770 4.080 -5.918 -10.109 1.00 0.00 H new ATOM 0 HG2 ARG A 770 5.376 -8.193 -10.054 1.00 0.00 H new ATOM 0 HG3 ARG A 770 4.248 -8.628 -8.786 1.00 0.00 H new ATOM 0 HD2 ARG A 770 2.352 -8.366 -10.236 1.00 0.00 H new ATOM 0 HD3 ARG A 770 3.302 -7.539 -11.454 1.00 0.00 H new ATOM 0 HE ARG A 770 3.959 -9.593 -12.315 1.00 0.00 H new ATOM 0 HH11 ARG A 770 2.766 -10.009 -9.011 1.00 0.00 H new ATOM 0 HH12 ARG A 770 2.851 -11.773 -9.084 1.00 0.00 H new ATOM 0 HH21 ARG A 770 4.065 -11.856 -12.391 1.00 0.00 H new ATOM 0 HH22 ARG A 770 3.582 -12.811 -10.986 1.00 0.00 H new ATOM 466 N LYS A 771 5.297 -3.605 -8.683 1.00 0.00 N ATOM 467 CA LYS A 771 5.568 -2.250 -9.161 1.00 0.00 C ATOM 468 C LYS A 771 6.820 -1.663 -8.514 1.00 0.00 C ATOM 469 O LYS A 771 7.601 -0.969 -9.164 1.00 0.00 O ATOM 470 CB LYS A 771 4.369 -1.345 -8.877 1.00 0.00 C ATOM 471 CG LYS A 771 4.158 -0.266 -9.930 1.00 0.00 C ATOM 472 CD LYS A 771 2.964 -0.576 -10.818 1.00 0.00 C ATOM 473 CE LYS A 771 2.409 0.679 -11.469 1.00 0.00 C ATOM 474 NZ LYS A 771 3.313 1.202 -12.532 1.00 0.00 N ATOM 0 H LYS A 771 4.563 -3.663 -7.977 1.00 0.00 H new ATOM 0 HA LYS A 771 5.740 -2.307 -10.236 1.00 0.00 H new ATOM 0 HB2 LYS A 771 3.470 -1.957 -8.811 1.00 0.00 H new ATOM 0 HB3 LYS A 771 4.504 -0.871 -7.905 1.00 0.00 H new ATOM 0 HG2 LYS A 771 4.008 0.696 -9.441 1.00 0.00 H new ATOM 0 HG3 LYS A 771 5.054 -0.175 -10.543 1.00 0.00 H new ATOM 0 HD2 LYS A 771 3.259 -1.287 -11.590 1.00 0.00 H new ATOM 0 HD3 LYS A 771 2.184 -1.054 -10.226 1.00 0.00 H new ATOM 0 HE2 LYS A 771 1.431 0.462 -11.899 1.00 0.00 H new ATOM 0 HE3 LYS A 771 2.260 1.446 -10.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 2.897 2.059 -12.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 4.239 1.433 -12.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 3.435 0.480 -13.270 1.00 0.00 H new ATOM 488 N LEU A 772 6.995 -1.935 -7.228 1.00 0.00 N ATOM 489 CA LEU A 772 8.144 -1.423 -6.483 1.00 0.00 C ATOM 490 C LEU A 772 9.357 -2.339 -6.592 1.00 0.00 C ATOM 491 O LEU A 772 10.450 -1.977 -6.156 1.00 0.00 O ATOM 492 CB LEU A 772 7.785 -1.240 -5.007 1.00 0.00 C ATOM 493 CG LEU A 772 7.575 0.209 -4.567 1.00 0.00 C ATOM 494 CD1 LEU A 772 6.098 0.515 -4.397 1.00 0.00 C ATOM 495 CD2 LEU A 772 8.324 0.485 -3.273 1.00 0.00 C ATOM 0 H LEU A 772 6.357 -2.508 -6.676 1.00 0.00 H new ATOM 0 HA LEU A 772 8.404 -0.462 -6.926 1.00 0.00 H new ATOM 0 HB2 LEU A 772 6.875 -1.803 -4.798 1.00 0.00 H new ATOM 0 HB3 LEU A 772 8.577 -1.677 -4.399 1.00 0.00 H new ATOM 0 HG LEU A 772 7.971 0.860 -5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 772 5.975 1.552 -4.084 1.00 0.00 H new ATOM 0 HD12 LEU A 772 5.583 0.359 -5.345 1.00 0.00 H new ATOM 0 HD13 LEU A 772 5.674 -0.145 -3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 772 8.164 1.521 -2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 772 7.957 -0.180 -2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 772 9.389 0.312 -3.425 1.00 0.00 H new ATOM 507 N LYS A 773 9.169 -3.529 -7.147 1.00 0.00 N ATOM 508 CA LYS A 773 10.265 -4.477 -7.270 1.00 0.00 C ATOM 509 C LYS A 773 10.794 -4.834 -5.885 1.00 0.00 C ATOM 510 O LYS A 773 12.001 -4.968 -5.682 1.00 0.00 O ATOM 511 CB LYS A 773 11.391 -3.894 -8.127 1.00 0.00 C ATOM 512 CG LYS A 773 11.040 -3.781 -9.602 1.00 0.00 C ATOM 513 CD LYS A 773 12.266 -3.459 -10.441 1.00 0.00 C ATOM 514 CE LYS A 773 12.864 -4.714 -11.056 1.00 0.00 C ATOM 515 NZ LYS A 773 11.959 -5.323 -12.070 1.00 0.00 N ATOM 0 H LYS A 773 8.276 -3.857 -7.516 1.00 0.00 H new ATOM 0 HA LYS A 773 9.894 -5.378 -7.758 1.00 0.00 H new ATOM 0 HB2 LYS A 773 11.650 -2.906 -7.747 1.00 0.00 H new ATOM 0 HB3 LYS A 773 12.278 -4.519 -8.020 1.00 0.00 H new ATOM 0 HG2 LYS A 773 10.598 -4.716 -9.945 1.00 0.00 H new ATOM 0 HG3 LYS A 773 10.288 -3.004 -9.740 1.00 0.00 H new ATOM 0 HD2 LYS A 773 11.994 -2.759 -11.231 1.00 0.00 H new ATOM 0 HD3 LYS A 773 13.013 -2.965 -9.821 1.00 0.00 H new ATOM 0 HE2 LYS A 773 13.819 -4.470 -11.522 1.00 0.00 H new ATOM 0 HE3 LYS A 773 13.069 -5.441 -10.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 773 12.520 -5.880 -12.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 773 11.273 -5.944 -11.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 773 11.451 -4.571 -12.578 1.00 0.00 H new ATOM 529 N ILE A 774 9.874 -4.989 -4.935 1.00 0.00 N ATOM 530 CA ILE A 774 10.239 -5.332 -3.563 1.00 0.00 C ATOM 531 C ILE A 774 9.765 -6.742 -3.230 1.00 0.00 C ATOM 532 O ILE A 774 9.268 -7.459 -4.097 1.00 0.00 O ATOM 533 CB ILE A 774 9.648 -4.343 -2.529 1.00 0.00 C ATOM 534 CG1 ILE A 774 8.141 -4.190 -2.728 1.00 0.00 C ATOM 535 CG2 ILE A 774 10.342 -2.995 -2.624 1.00 0.00 C ATOM 536 CD1 ILE A 774 7.481 -3.230 -1.756 1.00 0.00 C ATOM 0 H ILE A 774 8.872 -4.883 -5.090 1.00 0.00 H new ATOM 0 HA ILE A 774 11.326 -5.273 -3.502 1.00 0.00 H new ATOM 0 HB ILE A 774 9.819 -4.747 -1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 774 7.953 -3.846 -3.745 1.00 0.00 H new ATOM 0 HG13 ILE A 774 7.671 -5.169 -2.630 1.00 0.00 H new ATOM 0 HG21 ILE A 774 9.914 -2.313 -1.890 1.00 0.00 H new ATOM 0 HG22 ILE A 774 11.407 -3.119 -2.426 1.00 0.00 H new ATOM 0 HG23 ILE A 774 10.204 -2.585 -3.624 1.00 0.00 H new ATOM 0 HD11 ILE A 774 6.412 -3.178 -1.965 1.00 0.00 H new ATOM 0 HD12 ILE A 774 7.635 -3.582 -0.736 1.00 0.00 H new ATOM 0 HD13 ILE A 774 7.921 -2.239 -1.868 1.00 0.00 H new ATOM 548 N GLY A 775 9.919 -7.136 -1.973 1.00 0.00 N ATOM 549 CA GLY A 775 9.496 -8.459 -1.557 1.00 0.00 C ATOM 550 C GLY A 775 8.060 -8.471 -1.076 1.00 0.00 C ATOM 551 O GLY A 775 7.551 -7.455 -0.607 1.00 0.00 O ATOM 0 H GLY A 775 10.329 -6.564 -1.235 1.00 0.00 H new ATOM 0 HA2 GLY A 775 9.605 -9.153 -2.390 1.00 0.00 H new ATOM 0 HA3 GLY A 775 10.148 -8.814 -0.759 1.00 0.00 H new ATOM 555 N TYR A 776 7.401 -9.618 -1.193 1.00 0.00 N ATOM 556 CA TYR A 776 6.013 -9.741 -0.760 1.00 0.00 C ATOM 557 C TYR A 776 5.874 -9.367 0.710 1.00 0.00 C ATOM 558 O TYR A 776 4.968 -8.624 1.089 1.00 0.00 O ATOM 559 CB TYR A 776 5.501 -11.165 -0.988 1.00 0.00 C ATOM 560 CG TYR A 776 4.080 -11.379 -0.515 1.00 0.00 C ATOM 561 CD1 TYR A 776 3.803 -11.623 0.824 1.00 0.00 C ATOM 562 CD2 TYR A 776 3.015 -11.335 -1.406 1.00 0.00 C ATOM 563 CE1 TYR A 776 2.507 -11.818 1.262 1.00 0.00 C ATOM 564 CE2 TYR A 776 1.715 -11.528 -0.977 1.00 0.00 C ATOM 565 CZ TYR A 776 1.467 -11.769 0.358 1.00 0.00 C ATOM 566 OH TYR A 776 0.175 -11.963 0.790 1.00 0.00 O ATOM 0 H TYR A 776 7.802 -10.472 -1.582 1.00 0.00 H new ATOM 0 HA TYR A 776 5.412 -9.053 -1.355 1.00 0.00 H new ATOM 0 HB2 TYR A 776 5.560 -11.398 -2.051 1.00 0.00 H new ATOM 0 HB3 TYR A 776 6.157 -11.865 -0.471 1.00 0.00 H new ATOM 0 HD1 TYR A 776 4.615 -11.661 1.535 1.00 0.00 H new ATOM 0 HD2 TYR A 776 3.206 -11.147 -2.452 1.00 0.00 H new ATOM 0 HE1 TYR A 776 2.310 -12.008 2.307 1.00 0.00 H new ATOM 0 HE2 TYR A 776 0.899 -11.490 -1.683 1.00 0.00 H new ATOM 0 HH TYR A 776 -0.438 -11.896 0.028 1.00 0.00 H new ATOM 576 N ASN A 777 6.780 -9.881 1.534 1.00 0.00 N ATOM 577 CA ASN A 777 6.757 -9.597 2.962 1.00 0.00 C ATOM 578 C ASN A 777 6.973 -8.111 3.220 1.00 0.00 C ATOM 579 O ASN A 777 6.232 -7.493 3.984 1.00 0.00 O ATOM 580 CB ASN A 777 7.832 -10.412 3.682 1.00 0.00 C ATOM 581 CG ASN A 777 7.375 -11.823 3.994 1.00 0.00 C ATOM 582 OD1 ASN A 777 6.180 -12.082 4.145 1.00 0.00 O ATOM 583 ND2 ASN A 777 8.325 -12.746 4.095 1.00 0.00 N ATOM 0 H ASN A 777 7.538 -10.496 1.237 1.00 0.00 H new ATOM 0 HA ASN A 777 5.778 -9.878 3.349 1.00 0.00 H new ATOM 0 HB2 ASN A 777 8.729 -10.452 3.064 1.00 0.00 H new ATOM 0 HB3 ASN A 777 8.106 -9.908 4.609 1.00 0.00 H new ATOM 0 HD21 ASN A 777 8.077 -13.713 4.305 1.00 0.00 H new ATOM 0 HD22 ASN A 777 9.303 -12.488 3.962 1.00 0.00 H new ATOM 590 N ARG A 778 7.988 -7.539 2.578 1.00 0.00 N ATOM 591 CA ARG A 778 8.293 -6.125 2.740 1.00 0.00 C ATOM 592 C ARG A 778 7.110 -5.265 2.312 1.00 0.00 C ATOM 593 O ARG A 778 6.673 -4.377 3.046 1.00 0.00 O ATOM 594 CB ARG A 778 9.542 -5.771 1.930 1.00 0.00 C ATOM 595 CG ARG A 778 9.763 -4.278 1.751 1.00 0.00 C ATOM 596 CD ARG A 778 10.969 -3.999 0.873 1.00 0.00 C ATOM 597 NE ARG A 778 11.885 -3.039 1.490 1.00 0.00 N ATOM 598 CZ ARG A 778 13.033 -3.374 2.077 1.00 0.00 C ATOM 599 NH1 ARG A 778 13.411 -4.644 2.147 1.00 0.00 N ATOM 600 NH2 ARG A 778 13.806 -2.432 2.599 1.00 0.00 N ATOM 0 H ARG A 778 8.612 -8.035 1.941 1.00 0.00 H new ATOM 0 HA ARG A 778 8.487 -5.924 3.794 1.00 0.00 H new ATOM 0 HB2 ARG A 778 10.415 -6.200 2.422 1.00 0.00 H new ATOM 0 HB3 ARG A 778 9.469 -6.237 0.947 1.00 0.00 H new ATOM 0 HG2 ARG A 778 8.875 -3.828 1.307 1.00 0.00 H new ATOM 0 HG3 ARG A 778 9.904 -3.810 2.725 1.00 0.00 H new ATOM 0 HD2 ARG A 778 11.499 -4.931 0.677 1.00 0.00 H new ATOM 0 HD3 ARG A 778 10.635 -3.614 -0.090 1.00 0.00 H new ATOM 0 HE ARG A 778 11.629 -2.052 1.469 1.00 0.00 H new ATOM 0 HH11 ARG A 778 12.821 -5.374 1.749 1.00 0.00 H new ATOM 0 HH12 ARG A 778 14.292 -4.890 2.599 1.00 0.00 H new ATOM 0 HH21 ARG A 778 13.521 -1.454 2.551 1.00 0.00 H new ATOM 0 HH22 ARG A 778 14.686 -2.685 3.049 1.00 0.00 H new ATOM 614 N ALA A 779 6.592 -5.540 1.123 1.00 0.00 N ATOM 615 CA ALA A 779 5.454 -4.799 0.595 1.00 0.00 C ATOM 616 C ALA A 779 4.271 -4.885 1.554 1.00 0.00 C ATOM 617 O ALA A 779 3.668 -3.872 1.899 1.00 0.00 O ATOM 618 CB ALA A 779 5.071 -5.324 -0.780 1.00 0.00 C ATOM 0 H ALA A 779 6.942 -6.272 0.505 1.00 0.00 H new ATOM 0 HA ALA A 779 5.738 -3.751 0.495 1.00 0.00 H new ATOM 0 HB1 ALA A 779 4.219 -4.760 -1.161 1.00 0.00 H new ATOM 0 HB2 ALA A 779 5.915 -5.211 -1.461 1.00 0.00 H new ATOM 0 HB3 ALA A 779 4.804 -6.378 -0.706 1.00 0.00 H new ATOM 624 N ALA A 780 3.953 -6.103 1.986 1.00 0.00 N ATOM 625 CA ALA A 780 2.852 -6.324 2.914 1.00 0.00 C ATOM 626 C ALA A 780 3.043 -5.513 4.194 1.00 0.00 C ATOM 627 O ALA A 780 2.093 -4.933 4.717 1.00 0.00 O ATOM 628 CB ALA A 780 2.719 -7.805 3.237 1.00 0.00 C ATOM 0 H ALA A 780 4.444 -6.952 1.706 1.00 0.00 H new ATOM 0 HA ALA A 780 1.933 -5.987 2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 780 1.892 -7.953 3.931 1.00 0.00 H new ATOM 0 HB2 ALA A 780 2.527 -8.362 2.320 1.00 0.00 H new ATOM 0 HB3 ALA A 780 3.643 -8.163 3.691 1.00 0.00 H new ATOM 634 N ARG A 781 4.282 -5.462 4.689 1.00 0.00 N ATOM 635 CA ARG A 781 4.583 -4.705 5.901 1.00 0.00 C ATOM 636 C ARG A 781 4.207 -3.243 5.698 1.00 0.00 C ATOM 637 O ARG A 781 3.540 -2.637 6.538 1.00 0.00 O ATOM 638 CB ARG A 781 6.067 -4.824 6.259 1.00 0.00 C ATOM 639 CG ARG A 781 6.491 -6.235 6.635 1.00 0.00 C ATOM 640 CD ARG A 781 7.415 -6.247 7.841 1.00 0.00 C ATOM 641 NE ARG A 781 8.019 -7.562 8.049 1.00 0.00 N ATOM 642 CZ ARG A 781 8.910 -7.830 9.001 1.00 0.00 C ATOM 643 NH1 ARG A 781 9.309 -6.878 9.834 1.00 0.00 N ATOM 644 NH2 ARG A 781 9.406 -9.056 9.118 1.00 0.00 N ATOM 0 H ARG A 781 5.085 -5.932 4.272 1.00 0.00 H new ATOM 0 HA ARG A 781 4.000 -5.116 6.725 1.00 0.00 H new ATOM 0 HB2 ARG A 781 6.665 -4.488 5.412 1.00 0.00 H new ATOM 0 HB3 ARG A 781 6.287 -4.154 7.090 1.00 0.00 H new ATOM 0 HG2 ARG A 781 5.606 -6.835 6.850 1.00 0.00 H new ATOM 0 HG3 ARG A 781 6.994 -6.701 5.788 1.00 0.00 H new ATOM 0 HD2 ARG A 781 8.200 -5.504 7.705 1.00 0.00 H new ATOM 0 HD3 ARG A 781 6.855 -5.959 8.731 1.00 0.00 H new ATOM 0 HE ARG A 781 7.741 -8.321 7.427 1.00 0.00 H new ATOM 0 HH11 ARG A 781 8.933 -5.934 9.747 1.00 0.00 H new ATOM 0 HH12 ARG A 781 9.992 -7.090 10.561 1.00 0.00 H new ATOM 0 HH21 ARG A 781 9.104 -9.791 8.479 1.00 0.00 H new ATOM 0 HH22 ARG A 781 10.089 -9.262 9.847 1.00 0.00 H new ATOM 658 N MET A 782 4.614 -2.695 4.559 1.00 0.00 N ATOM 659 CA MET A 782 4.293 -1.317 4.220 1.00 0.00 C ATOM 660 C MET A 782 2.787 -1.181 4.049 1.00 0.00 C ATOM 661 O MET A 782 2.174 -0.227 4.521 1.00 0.00 O ATOM 662 CB MET A 782 5.006 -0.911 2.928 1.00 0.00 C ATOM 663 CG MET A 782 6.522 -0.935 3.036 1.00 0.00 C ATOM 664 SD MET A 782 7.301 -1.837 1.682 1.00 0.00 S ATOM 665 CE MET A 782 7.144 -0.654 0.347 1.00 0.00 C ATOM 0 H MET A 782 5.167 -3.185 3.856 1.00 0.00 H new ATOM 0 HA MET A 782 4.629 -0.660 5.022 1.00 0.00 H new ATOM 0 HB2 MET A 782 4.697 -1.581 2.126 1.00 0.00 H new ATOM 0 HB3 MET A 782 4.686 0.092 2.646 1.00 0.00 H new ATOM 0 HG2 MET A 782 6.898 0.088 3.049 1.00 0.00 H new ATOM 0 HG3 MET A 782 6.808 -1.392 3.984 1.00 0.00 H new ATOM 0 HE1 MET A 782 6.309 -0.937 -0.294 1.00 0.00 H new ATOM 0 HE2 MET A 782 6.964 0.339 0.760 1.00 0.00 H new ATOM 0 HE3 MET A 782 8.063 -0.642 -0.239 1.00 0.00 H new ATOM 675 N ILE A 783 2.200 -2.169 3.386 1.00 0.00 N ATOM 676 CA ILE A 783 0.764 -2.205 3.157 1.00 0.00 C ATOM 677 C ILE A 783 0.030 -2.114 4.498 1.00 0.00 C ATOM 678 O ILE A 783 -0.976 -1.411 4.632 1.00 0.00 O ATOM 679 CB ILE A 783 0.382 -3.499 2.383 1.00 0.00 C ATOM 680 CG1 ILE A 783 0.722 -3.343 0.890 1.00 0.00 C ATOM 681 CG2 ILE A 783 -1.082 -3.883 2.569 1.00 0.00 C ATOM 682 CD1 ILE A 783 -0.261 -2.487 0.105 1.00 0.00 C ATOM 0 H ILE A 783 2.705 -2.964 2.994 1.00 0.00 H new ATOM 0 HA ILE A 783 0.465 -1.353 2.547 1.00 0.00 H new ATOM 0 HB ILE A 783 0.972 -4.314 2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 783 1.717 -2.906 0.801 1.00 0.00 H new ATOM 0 HG13 ILE A 783 0.766 -4.333 0.435 1.00 0.00 H new ATOM 0 HG21 ILE A 783 -1.294 -4.793 2.007 1.00 0.00 H new ATOM 0 HG22 ILE A 783 -1.282 -4.055 3.627 1.00 0.00 H new ATOM 0 HG23 ILE A 783 -1.719 -3.076 2.206 1.00 0.00 H new ATOM 0 HD11 ILE A 783 0.056 -2.431 -0.936 1.00 0.00 H new ATOM 0 HD12 ILE A 783 -1.255 -2.932 0.159 1.00 0.00 H new ATOM 0 HD13 ILE A 783 -0.290 -1.484 0.530 1.00 0.00 H new ATOM 694 N GLU A 784 0.569 -2.794 5.505 1.00 0.00 N ATOM 695 CA GLU A 784 -0.007 -2.749 6.839 1.00 0.00 C ATOM 696 C GLU A 784 0.073 -1.321 7.353 1.00 0.00 C ATOM 697 O GLU A 784 -0.903 -0.756 7.859 1.00 0.00 O ATOM 698 CB GLU A 784 0.748 -3.690 7.778 1.00 0.00 C ATOM 699 CG GLU A 784 -0.161 -4.631 8.539 1.00 0.00 C ATOM 700 CD GLU A 784 0.315 -4.887 9.956 1.00 0.00 C ATOM 701 OE1 GLU A 784 1.309 -5.623 10.124 1.00 0.00 O ATOM 702 OE2 GLU A 784 -0.308 -4.351 10.897 1.00 0.00 O ATOM 0 H GLU A 784 1.400 -3.379 5.421 1.00 0.00 H new ATOM 0 HA GLU A 784 -1.047 -3.072 6.801 1.00 0.00 H new ATOM 0 HB2 GLU A 784 1.462 -4.275 7.198 1.00 0.00 H new ATOM 0 HB3 GLU A 784 1.324 -3.098 8.489 1.00 0.00 H new ATOM 0 HG2 GLU A 784 -1.167 -4.213 8.568 1.00 0.00 H new ATOM 0 HG3 GLU A 784 -0.225 -5.579 8.005 1.00 0.00 H new ATOM 709 N ALA A 785 1.252 -0.739 7.178 1.00 0.00 N ATOM 710 CA ALA A 785 1.498 0.636 7.573 1.00 0.00 C ATOM 711 C ALA A 785 0.477 1.552 6.916 1.00 0.00 C ATOM 712 O ALA A 785 0.060 2.550 7.496 1.00 0.00 O ATOM 713 CB ALA A 785 2.914 1.052 7.199 1.00 0.00 C ATOM 0 H ALA A 785 2.058 -1.205 6.761 1.00 0.00 H new ATOM 0 HA ALA A 785 1.396 0.718 8.655 1.00 0.00 H new ATOM 0 HB1 ALA A 785 3.082 2.085 7.502 1.00 0.00 H new ATOM 0 HB2 ALA A 785 3.629 0.404 7.706 1.00 0.00 H new ATOM 0 HB3 ALA A 785 3.046 0.964 6.121 1.00 0.00 H new ATOM 719 N MET A 786 0.068 1.191 5.701 1.00 0.00 N ATOM 720 CA MET A 786 -0.921 1.968 4.965 1.00 0.00 C ATOM 721 C MET A 786 -2.273 1.885 5.655 1.00 0.00 C ATOM 722 O MET A 786 -2.997 2.877 5.755 1.00 0.00 O ATOM 723 CB MET A 786 -1.043 1.467 3.528 1.00 0.00 C ATOM 724 CG MET A 786 -0.044 2.099 2.583 1.00 0.00 C ATOM 725 SD MET A 786 -0.328 1.644 0.863 1.00 0.00 S ATOM 726 CE MET A 786 1.105 0.618 0.548 1.00 0.00 C ATOM 0 H MET A 786 0.408 0.365 5.208 1.00 0.00 H new ATOM 0 HA MET A 786 -0.591 3.007 4.945 1.00 0.00 H new ATOM 0 HB2 MET A 786 -0.909 0.385 3.516 1.00 0.00 H new ATOM 0 HB3 MET A 786 -2.051 1.667 3.166 1.00 0.00 H new ATOM 0 HG2 MET A 786 -0.094 3.183 2.680 1.00 0.00 H new ATOM 0 HG3 MET A 786 0.963 1.799 2.872 1.00 0.00 H new ATOM 0 HE1 MET A 786 0.889 -0.066 -0.272 1.00 0.00 H new ATOM 0 HE2 MET A 786 1.953 1.249 0.281 1.00 0.00 H new ATOM 0 HE3 MET A 786 1.347 0.046 1.444 1.00 0.00 H new ATOM 736 N GLU A 787 -2.607 0.692 6.136 1.00 0.00 N ATOM 737 CA GLU A 787 -3.872 0.482 6.830 1.00 0.00 C ATOM 738 C GLU A 787 -3.977 1.396 8.043 1.00 0.00 C ATOM 739 O GLU A 787 -4.950 2.135 8.199 1.00 0.00 O ATOM 740 CB GLU A 787 -4.010 -0.978 7.268 1.00 0.00 C ATOM 741 CG GLU A 787 -4.978 -1.771 6.412 1.00 0.00 C ATOM 742 CD GLU A 787 -5.007 -3.245 6.769 1.00 0.00 C ATOM 743 OE1 GLU A 787 -4.056 -3.714 7.430 1.00 0.00 O ATOM 744 OE2 GLU A 787 -5.980 -3.929 6.389 1.00 0.00 O ATOM 0 H GLU A 787 -2.022 -0.140 6.059 1.00 0.00 H new ATOM 0 HA GLU A 787 -4.680 0.721 6.138 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -3.030 -1.455 7.233 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -4.343 -1.009 8.305 1.00 0.00 H new ATOM 0 HG2 GLU A 787 -5.979 -1.355 6.524 1.00 0.00 H new ATOM 0 HG3 GLU A 787 -4.702 -1.661 5.363 1.00 0.00 H new ATOM 751 N MET A 788 -2.968 1.333 8.898 1.00 0.00 N ATOM 752 CA MET A 788 -2.934 2.146 10.109 1.00 0.00 C ATOM 753 C MET A 788 -2.696 3.621 9.785 1.00 0.00 C ATOM 754 O MET A 788 -3.271 4.507 10.419 1.00 0.00 O ATOM 755 CB MET A 788 -1.838 1.639 11.043 1.00 0.00 C ATOM 756 CG MET A 788 -2.213 0.370 11.791 1.00 0.00 C ATOM 757 SD MET A 788 -1.236 0.131 13.287 1.00 0.00 S ATOM 758 CE MET A 788 0.423 0.357 12.651 1.00 0.00 C ATOM 0 H MET A 788 -2.158 0.725 8.777 1.00 0.00 H new ATOM 0 HA MET A 788 -3.904 2.060 10.600 1.00 0.00 H new ATOM 0 HB2 MET A 788 -0.934 1.454 10.462 1.00 0.00 H new ATOM 0 HB3 MET A 788 -1.599 2.419 11.766 1.00 0.00 H new ATOM 0 HG2 MET A 788 -3.270 0.407 12.054 1.00 0.00 H new ATOM 0 HG3 MET A 788 -2.078 -0.488 11.133 1.00 0.00 H new ATOM 0 HE1 MET A 788 1.144 -0.032 13.370 1.00 0.00 H new ATOM 0 HE2 MET A 788 0.527 -0.178 11.707 1.00 0.00 H new ATOM 0 HE3 MET A 788 0.609 1.419 12.489 1.00 0.00 H new ATOM 768 N ALA A 789 -1.842 3.873 8.801 1.00 0.00 N ATOM 769 CA ALA A 789 -1.514 5.236 8.390 1.00 0.00 C ATOM 770 C ALA A 789 -2.718 5.948 7.790 1.00 0.00 C ATOM 771 O ALA A 789 -2.758 7.177 7.729 1.00 0.00 O ATOM 772 CB ALA A 789 -0.376 5.219 7.379 1.00 0.00 C ATOM 0 H ALA A 789 -1.361 3.148 8.269 1.00 0.00 H new ATOM 0 HA ALA A 789 -1.206 5.783 9.282 1.00 0.00 H new ATOM 0 HB1 ALA A 789 -0.140 6.240 7.080 1.00 0.00 H new ATOM 0 HB2 ALA A 789 0.504 4.760 7.830 1.00 0.00 H new ATOM 0 HB3 ALA A 789 -0.676 4.644 6.503 1.00 0.00 H new ATOM 778 N GLY A 790 -3.688 5.172 7.326 1.00 0.00 N ATOM 779 CA GLY A 790 -4.866 5.750 6.713 1.00 0.00 C ATOM 780 C GLY A 790 -4.696 5.906 5.213 1.00 0.00 C ATOM 781 O GLY A 790 -5.456 6.621 4.562 1.00 0.00 O ATOM 0 H GLY A 790 -3.680 4.153 7.363 1.00 0.00 H new ATOM 0 HA2 GLY A 790 -5.730 5.119 6.918 1.00 0.00 H new ATOM 0 HA3 GLY A 790 -5.069 6.723 7.160 1.00 0.00 H new ATOM 785 N VAL A 791 -3.687 5.230 4.667 1.00 0.00 N ATOM 786 CA VAL A 791 -3.400 5.279 3.241 1.00 0.00 C ATOM 787 C VAL A 791 -4.264 4.282 2.485 1.00 0.00 C ATOM 788 O VAL A 791 -4.613 4.497 1.325 1.00 0.00 O ATOM 789 CB VAL A 791 -1.913 4.984 2.972 1.00 0.00 C ATOM 790 CG1 VAL A 791 -1.616 4.969 1.479 1.00 0.00 C ATOM 791 CG2 VAL A 791 -1.042 6.003 3.685 1.00 0.00 C ATOM 0 H VAL A 791 -3.051 4.637 5.200 1.00 0.00 H new ATOM 0 HA VAL A 791 -3.629 6.285 2.889 1.00 0.00 H new ATOM 0 HB VAL A 791 -1.684 3.993 3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 791 -0.558 4.758 1.321 1.00 0.00 H new ATOM 0 HG12 VAL A 791 -2.216 4.198 0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 791 -1.861 5.941 1.050 1.00 0.00 H new ATOM 0 HG21 VAL A 791 0.008 5.785 3.488 1.00 0.00 H new ATOM 0 HG22 VAL A 791 -1.280 7.003 3.321 1.00 0.00 H new ATOM 0 HG23 VAL A 791 -1.228 5.953 4.758 1.00 0.00 H new ATOM 801 N VAL A 792 -4.616 3.194 3.157 1.00 0.00 N ATOM 802 CA VAL A 792 -5.454 2.169 2.555 1.00 0.00 C ATOM 803 C VAL A 792 -6.479 1.644 3.556 1.00 0.00 C ATOM 804 O VAL A 792 -6.195 1.539 4.748 1.00 0.00 O ATOM 805 CB VAL A 792 -4.609 1.003 2.014 1.00 0.00 C ATOM 806 CG1 VAL A 792 -3.559 1.526 1.041 1.00 0.00 C ATOM 807 CG2 VAL A 792 -3.961 0.235 3.158 1.00 0.00 C ATOM 0 H VAL A 792 -4.334 3.000 4.118 1.00 0.00 H new ATOM 0 HA VAL A 792 -5.981 2.631 1.720 1.00 0.00 H new ATOM 0 HB VAL A 792 -5.262 0.314 1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 792 -2.966 0.693 0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 792 -4.052 2.027 0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 792 -2.907 2.232 1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 792 -3.368 -0.586 2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 792 -3.315 0.905 3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 792 -4.735 -0.165 3.813 1.00 0.00 H new ATOM 817 N THR A 793 -7.671 1.324 3.065 1.00 0.00 N ATOM 818 CA THR A 793 -8.735 0.820 3.925 1.00 0.00 C ATOM 819 C THR A 793 -8.583 -0.685 4.143 1.00 0.00 C ATOM 820 O THR A 793 -7.964 -1.375 3.333 1.00 0.00 O ATOM 821 CB THR A 793 -10.107 1.121 3.316 1.00 0.00 C ATOM 822 OG1 THR A 793 -10.416 0.189 2.300 1.00 0.00 O ATOM 823 CG2 THR A 793 -10.215 2.507 2.712 1.00 0.00 C ATOM 0 H THR A 793 -7.924 1.404 2.080 1.00 0.00 H new ATOM 0 HA THR A 793 -8.659 1.324 4.888 1.00 0.00 H new ATOM 0 HB THR A 793 -10.808 1.054 4.148 1.00 0.00 H new ATOM 0 HG1 THR A 793 -11.389 0.123 2.201 1.00 0.00 H new ATOM 0 HG21 THR A 793 -11.214 2.648 2.300 1.00 0.00 H new ATOM 0 HG22 THR A 793 -10.031 3.255 3.483 1.00 0.00 H new ATOM 0 HG23 THR A 793 -9.477 2.616 1.918 1.00 0.00 H new ATOM 831 N PRO A 794 -9.149 -1.216 5.239 1.00 0.00 N ATOM 832 CA PRO A 794 -9.072 -2.647 5.551 1.00 0.00 C ATOM 833 C PRO A 794 -9.671 -3.510 4.446 1.00 0.00 C ATOM 834 O PRO A 794 -10.313 -3.000 3.526 1.00 0.00 O ATOM 835 CB PRO A 794 -9.886 -2.790 6.845 1.00 0.00 C ATOM 836 CG PRO A 794 -10.713 -1.553 6.924 1.00 0.00 C ATOM 837 CD PRO A 794 -9.908 -0.475 6.259 1.00 0.00 C ATOM 0 HA PRO A 794 -8.040 -2.982 5.651 1.00 0.00 H new ATOM 0 HB2 PRO A 794 -10.512 -3.682 6.820 1.00 0.00 H new ATOM 0 HB3 PRO A 794 -9.233 -2.883 7.713 1.00 0.00 H new ATOM 0 HG2 PRO A 794 -11.671 -1.691 6.422 1.00 0.00 H new ATOM 0 HG3 PRO A 794 -10.931 -1.295 7.960 1.00 0.00 H new ATOM 0 HD2 PRO A 794 -10.545 0.289 5.813 1.00 0.00 H new ATOM 0 HD3 PRO A 794 -9.249 0.031 6.965 1.00 0.00 H new ATOM 845 N MET A 795 -9.455 -4.817 4.537 1.00 0.00 N ATOM 846 CA MET A 795 -9.968 -5.749 3.545 1.00 0.00 C ATOM 847 C MET A 795 -11.492 -5.780 3.552 1.00 0.00 C ATOM 848 O MET A 795 -12.130 -5.388 4.529 1.00 0.00 O ATOM 849 CB MET A 795 -9.415 -7.148 3.810 1.00 0.00 C ATOM 850 CG MET A 795 -7.916 -7.170 4.074 1.00 0.00 C ATOM 851 SD MET A 795 -7.061 -8.449 3.131 1.00 0.00 S ATOM 852 CE MET A 795 -5.563 -8.636 4.092 1.00 0.00 C ATOM 0 H MET A 795 -8.926 -5.255 5.291 1.00 0.00 H new ATOM 0 HA MET A 795 -9.642 -5.411 2.561 1.00 0.00 H new ATOM 0 HB2 MET A 795 -9.933 -7.578 4.667 1.00 0.00 H new ATOM 0 HB3 MET A 795 -9.634 -7.785 2.953 1.00 0.00 H new ATOM 0 HG2 MET A 795 -7.493 -6.197 3.825 1.00 0.00 H new ATOM 0 HG3 MET A 795 -7.741 -7.331 5.138 1.00 0.00 H new ATOM 0 HE1 MET A 795 -4.929 -9.395 3.634 1.00 0.00 H new ATOM 0 HE2 MET A 795 -5.029 -7.686 4.121 1.00 0.00 H new ATOM 0 HE3 MET A 795 -5.818 -8.941 5.107 1.00 0.00 H new ATOM 862 N ASN A 796 -12.067 -6.252 2.451 1.00 0.00 N ATOM 863 CA ASN A 796 -13.516 -6.340 2.318 1.00 0.00 C ATOM 864 C ASN A 796 -13.994 -7.772 2.529 1.00 0.00 C ATOM 865 O ASN A 796 -13.189 -8.685 2.715 1.00 0.00 O ATOM 866 CB ASN A 796 -13.951 -5.843 0.938 1.00 0.00 C ATOM 867 CG ASN A 796 -14.115 -4.343 0.887 1.00 0.00 C ATOM 868 OD1 ASN A 796 -14.417 -3.701 1.893 1.00 0.00 O ATOM 869 ND2 ASN A 796 -13.914 -3.776 -0.293 1.00 0.00 N ATOM 0 H ASN A 796 -11.550 -6.580 1.636 1.00 0.00 H new ATOM 0 HA ASN A 796 -13.967 -5.709 3.084 1.00 0.00 H new ATOM 0 HB2 ASN A 796 -13.214 -6.150 0.196 1.00 0.00 H new ATOM 0 HB3 ASN A 796 -14.894 -6.317 0.665 1.00 0.00 H new ATOM 0 HD21 ASN A 796 -14.008 -2.766 -0.396 1.00 0.00 H new ATOM 0 HD22 ASN A 796 -13.665 -4.350 -1.099 1.00 0.00 H new ATOM 876 N THR A 797 -15.308 -7.962 2.501 1.00 0.00 N ATOM 877 CA THR A 797 -15.893 -9.284 2.691 1.00 0.00 C ATOM 878 C THR A 797 -15.400 -10.260 1.627 1.00 0.00 C ATOM 879 O THR A 797 -15.308 -11.463 1.871 1.00 0.00 O ATOM 880 CB THR A 797 -17.420 -9.200 2.654 1.00 0.00 C ATOM 881 OG1 THR A 797 -17.996 -10.478 2.855 1.00 0.00 O ATOM 882 CG2 THR A 797 -17.957 -8.655 1.348 1.00 0.00 C ATOM 0 H THR A 797 -15.988 -7.218 2.349 1.00 0.00 H new ATOM 0 HA THR A 797 -15.579 -9.653 3.667 1.00 0.00 H new ATOM 0 HB THR A 797 -17.692 -8.513 3.455 1.00 0.00 H new ATOM 0 HG1 THR A 797 -18.973 -10.404 2.830 1.00 0.00 H new ATOM 0 HG21 THR A 797 -19.046 -8.622 1.388 1.00 0.00 H new ATOM 0 HG22 THR A 797 -17.569 -7.649 1.186 1.00 0.00 H new ATOM 0 HG23 THR A 797 -17.644 -9.301 0.528 1.00 0.00 H new ATOM 890 N ASN A 798 -15.085 -9.735 0.447 1.00 0.00 N ATOM 891 CA ASN A 798 -14.603 -10.565 -0.653 1.00 0.00 C ATOM 892 C ASN A 798 -13.088 -10.745 -0.592 1.00 0.00 C ATOM 893 O ASN A 798 -12.538 -11.652 -1.217 1.00 0.00 O ATOM 894 CB ASN A 798 -15.002 -9.951 -1.996 1.00 0.00 C ATOM 895 CG ASN A 798 -14.510 -8.532 -2.156 1.00 0.00 C ATOM 896 OD1 ASN A 798 -13.551 -8.114 -1.509 1.00 0.00 O ATOM 897 ND2 ASN A 798 -15.172 -7.783 -3.024 1.00 0.00 N ATOM 0 H ASN A 798 -15.154 -8.741 0.228 1.00 0.00 H new ATOM 0 HA ASN A 798 -15.065 -11.547 -0.556 1.00 0.00 H new ATOM 0 HB2 ASN A 798 -14.602 -10.563 -2.804 1.00 0.00 H new ATOM 0 HB3 ASN A 798 -16.088 -9.968 -2.091 1.00 0.00 H new ATOM 0 HD21 ASN A 798 -14.892 -6.814 -3.179 1.00 0.00 H new ATOM 0 HD22 ASN A 798 -15.962 -8.175 -3.537 1.00 0.00 H new ATOM 904 N GLY A 799 -12.415 -9.881 0.165 1.00 0.00 N ATOM 905 CA GLY A 799 -10.971 -9.974 0.288 1.00 0.00 C ATOM 906 C GLY A 799 -10.244 -8.943 -0.553 1.00 0.00 C ATOM 907 O GLY A 799 -9.138 -9.194 -1.032 1.00 0.00 O ATOM 0 H GLY A 799 -12.843 -9.121 0.693 1.00 0.00 H new ATOM 0 HA2 GLY A 799 -10.691 -9.847 1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 799 -10.649 -10.972 -0.009 1.00 0.00 H new ATOM 911 N SER A 800 -10.862 -7.780 -0.729 1.00 0.00 N ATOM 912 CA SER A 800 -10.260 -6.707 -1.515 1.00 0.00 C ATOM 913 C SER A 800 -10.178 -5.421 -0.700 1.00 0.00 C ATOM 914 O SER A 800 -11.163 -4.990 -0.101 1.00 0.00 O ATOM 915 CB SER A 800 -11.064 -6.462 -2.792 1.00 0.00 C ATOM 916 OG SER A 800 -11.266 -7.668 -3.509 1.00 0.00 O ATOM 0 H SER A 800 -11.778 -7.556 -0.339 1.00 0.00 H new ATOM 0 HA SER A 800 -9.250 -7.014 -1.786 1.00 0.00 H new ATOM 0 HB2 SER A 800 -12.028 -6.020 -2.539 1.00 0.00 H new ATOM 0 HB3 SER A 800 -10.540 -5.744 -3.423 1.00 0.00 H new ATOM 0 HG SER A 800 -12.016 -8.161 -3.115 1.00 0.00 H new ATOM 922 N ARG A 801 -8.996 -4.817 -0.676 1.00 0.00 N ATOM 923 CA ARG A 801 -8.784 -3.583 0.070 1.00 0.00 C ATOM 924 C ARG A 801 -8.982 -2.359 -0.815 1.00 0.00 C ATOM 925 O ARG A 801 -9.093 -2.470 -2.036 1.00 0.00 O ATOM 926 CB ARG A 801 -7.382 -3.565 0.681 1.00 0.00 C ATOM 927 CG ARG A 801 -7.329 -4.185 2.063 1.00 0.00 C ATOM 928 CD ARG A 801 -5.902 -4.408 2.550 1.00 0.00 C ATOM 929 NE ARG A 801 -4.928 -3.528 1.904 1.00 0.00 N ATOM 930 CZ ARG A 801 -3.947 -2.904 2.554 1.00 0.00 C ATOM 931 NH1 ARG A 801 -3.805 -3.048 3.865 1.00 0.00 N ATOM 932 NH2 ARG A 801 -3.095 -2.138 1.888 1.00 0.00 N ATOM 0 H ARG A 801 -8.170 -5.162 -1.165 1.00 0.00 H new ATOM 0 HA ARG A 801 -9.524 -3.547 0.870 1.00 0.00 H new ATOM 0 HB2 ARG A 801 -6.698 -4.100 0.022 1.00 0.00 H new ATOM 0 HB3 ARG A 801 -7.030 -2.535 0.737 1.00 0.00 H new ATOM 0 HG2 ARG A 801 -7.853 -3.539 2.768 1.00 0.00 H new ATOM 0 HG3 ARG A 801 -7.858 -5.138 2.050 1.00 0.00 H new ATOM 0 HD2 ARG A 801 -5.864 -4.251 3.628 1.00 0.00 H new ATOM 0 HD3 ARG A 801 -5.621 -5.445 2.369 1.00 0.00 H new ATOM 0 HE ARG A 801 -5.005 -3.384 0.897 1.00 0.00 H new ATOM 0 HH11 ARG A 801 -4.451 -3.641 4.386 1.00 0.00 H new ATOM 0 HH12 ARG A 801 -3.050 -2.565 4.352 1.00 0.00 H new ATOM 0 HH21 ARG A 801 -3.191 -2.027 0.879 1.00 0.00 H new ATOM 0 HH22 ARG A 801 -2.343 -1.660 2.385 1.00 0.00 H new ATOM 946 N GLU A 802 -9.022 -1.194 -0.183 1.00 0.00 N ATOM 947 CA GLU A 802 -9.205 0.064 -0.901 1.00 0.00 C ATOM 948 C GLU A 802 -8.157 1.088 -0.472 1.00 0.00 C ATOM 949 O GLU A 802 -7.205 0.756 0.234 1.00 0.00 O ATOM 950 CB GLU A 802 -10.617 0.612 -0.669 1.00 0.00 C ATOM 951 CG GLU A 802 -11.543 0.421 -1.858 1.00 0.00 C ATOM 952 CD GLU A 802 -13.001 0.648 -1.506 1.00 0.00 C ATOM 953 OE1 GLU A 802 -13.466 0.070 -0.502 1.00 0.00 O ATOM 954 OE2 GLU A 802 -13.677 1.403 -2.237 1.00 0.00 O ATOM 0 H GLU A 802 -8.930 -1.092 0.828 1.00 0.00 H new ATOM 0 HA GLU A 802 -9.078 -0.128 -1.966 1.00 0.00 H new ATOM 0 HB2 GLU A 802 -11.051 0.120 0.202 1.00 0.00 H new ATOM 0 HB3 GLU A 802 -10.552 1.675 -0.436 1.00 0.00 H new ATOM 0 HG2 GLU A 802 -11.254 1.109 -2.653 1.00 0.00 H new ATOM 0 HG3 GLU A 802 -11.421 -0.589 -2.250 1.00 0.00 H new ATOM 961 N VAL A 803 -8.328 2.334 -0.911 1.00 0.00 N ATOM 962 CA VAL A 803 -7.384 3.393 -0.576 1.00 0.00 C ATOM 963 C VAL A 803 -8.075 4.583 0.087 1.00 0.00 C ATOM 964 O VAL A 803 -9.154 5.002 -0.332 1.00 0.00 O ATOM 965 CB VAL A 803 -6.634 3.883 -1.828 1.00 0.00 C ATOM 966 CG1 VAL A 803 -5.545 4.878 -1.452 1.00 0.00 C ATOM 967 CG2 VAL A 803 -6.047 2.704 -2.585 1.00 0.00 C ATOM 0 H VAL A 803 -9.108 2.632 -1.497 1.00 0.00 H new ATOM 0 HA VAL A 803 -6.674 2.963 0.130 1.00 0.00 H new ATOM 0 HB VAL A 803 -7.345 4.393 -2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 803 -5.029 5.210 -2.353 1.00 0.00 H new ATOM 0 HG12 VAL A 803 -5.994 5.737 -0.953 1.00 0.00 H new ATOM 0 HG13 VAL A 803 -4.832 4.400 -0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 803 -5.519 3.065 -3.468 1.00 0.00 H new ATOM 0 HG22 VAL A 803 -5.351 2.168 -1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 803 -6.849 2.032 -2.891 1.00 0.00 H new ATOM 977 N ILE A 804 -7.432 5.128 1.117 1.00 0.00 N ATOM 978 CA ILE A 804 -7.969 6.282 1.834 1.00 0.00 C ATOM 979 C ILE A 804 -7.145 7.529 1.533 1.00 0.00 C ATOM 980 O ILE A 804 -7.664 8.645 1.540 1.00 0.00 O ATOM 981 CB ILE A 804 -8.005 6.060 3.369 1.00 0.00 C ATOM 982 CG1 ILE A 804 -7.303 4.752 3.755 1.00 0.00 C ATOM 983 CG2 ILE A 804 -9.440 6.065 3.870 1.00 0.00 C ATOM 984 CD1 ILE A 804 -7.355 4.446 5.236 1.00 0.00 C ATOM 0 H ILE A 804 -6.539 4.789 1.474 1.00 0.00 H new ATOM 0 HA ILE A 804 -8.993 6.415 1.485 1.00 0.00 H new ATOM 0 HB ILE A 804 -7.467 6.881 3.843 1.00 0.00 H new ATOM 0 HG12 ILE A 804 -7.761 3.929 3.207 1.00 0.00 H new ATOM 0 HG13 ILE A 804 -6.261 4.803 3.440 1.00 0.00 H new ATOM 0 HG21 ILE A 804 -9.449 5.908 4.949 1.00 0.00 H new ATOM 0 HG22 ILE A 804 -9.903 7.024 3.639 1.00 0.00 H new ATOM 0 HG23 ILE A 804 -9.998 5.266 3.382 1.00 0.00 H new ATOM 0 HD11 ILE A 804 -6.838 3.507 5.432 1.00 0.00 H new ATOM 0 HD12 ILE A 804 -6.870 5.249 5.791 1.00 0.00 H new ATOM 0 HD13 ILE A 804 -8.394 4.361 5.554 1.00 0.00 H new ATOM 996 N ALA A 805 -5.856 7.330 1.267 1.00 0.00 N ATOM 997 CA ALA A 805 -4.958 8.434 0.961 1.00 0.00 C ATOM 998 C ALA A 805 -5.120 8.882 -0.492 1.00 0.00 C ATOM 999 O ALA A 805 -4.903 8.098 -1.416 1.00 0.00 O ATOM 1000 CB ALA A 805 -3.513 8.031 1.228 1.00 0.00 C ATOM 0 H ALA A 805 -5.412 6.412 1.258 1.00 0.00 H new ATOM 0 HA ALA A 805 -5.217 9.271 1.609 1.00 0.00 H new ATOM 0 HB1 ALA A 805 -2.853 8.867 0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 805 -3.399 7.761 2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 805 -3.252 7.177 0.603 1.00 0.00 H new ATOM 1006 N PRO A 806 -5.501 10.153 -0.716 1.00 0.00 N ATOM 1007 CA PRO A 806 -5.686 10.695 -2.067 1.00 0.00 C ATOM 1008 C PRO A 806 -4.373 10.787 -2.836 1.00 0.00 C ATOM 1009 O PRO A 806 -3.292 10.721 -2.250 1.00 0.00 O ATOM 1010 CB PRO A 806 -6.261 12.092 -1.820 1.00 0.00 C ATOM 1011 CG PRO A 806 -5.807 12.449 -0.449 1.00 0.00 C ATOM 1012 CD PRO A 806 -5.779 11.160 0.323 1.00 0.00 C ATOM 0 HA PRO A 806 -6.330 10.060 -2.675 1.00 0.00 H new ATOM 0 HB2 PRO A 806 -5.895 12.807 -2.557 1.00 0.00 H new ATOM 0 HB3 PRO A 806 -7.349 12.091 -1.889 1.00 0.00 H new ATOM 0 HG2 PRO A 806 -4.821 12.912 -0.472 1.00 0.00 H new ATOM 0 HG3 PRO A 806 -6.485 13.167 0.013 1.00 0.00 H new ATOM 0 HD2 PRO A 806 -5.007 11.168 1.093 1.00 0.00 H new ATOM 0 HD3 PRO A 806 -6.728 10.970 0.825 1.00 0.00 H new ATOM 1020 N ALA A 807 -4.475 10.942 -4.151 1.00 0.00 N ATOM 1021 CA ALA A 807 -3.296 11.044 -5.002 1.00 0.00 C ATOM 1022 C ALA A 807 -2.696 12.448 -4.946 1.00 0.00 C ATOM 1023 O ALA A 807 -3.421 13.436 -4.823 1.00 0.00 O ATOM 1024 CB ALA A 807 -3.646 10.675 -6.436 1.00 0.00 C ATOM 0 H ALA A 807 -5.362 11.000 -4.651 1.00 0.00 H new ATOM 0 HA ALA A 807 -2.549 10.343 -4.630 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -2.756 10.756 -7.060 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -4.020 9.652 -6.467 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -4.413 11.353 -6.809 1.00 0.00 H new