USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 375 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 1 GLY N :NH3+ -118:sc= 0.113 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 786 SER OG : rot 180:sc= 0.00427 USER MOD Single : A 788 SER OG : rot 180:sc= 0 USER MOD Single : A 793 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 794 LYS NZ :NH3+ 169:sc= 2.35 (180deg=1.63) USER MOD Single : A 796 ASN :FLIP amide:sc= -0.391 F(o=-1.9!,f=-0.39) USER MOD Single : A 799 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 802 TYR OH : rot 30:sc= 0 USER MOD Single : A 805 LYS NZ :NH3+ -169:sc=-0.00514 (180deg=-0.153) USER MOD Single : A 806 TYR OH : rot 180:sc= 0 USER MOD Single : A 811 GLN :FLIP amide:sc= -0.09 F(o=-1.6,f=-0.09) USER MOD Single : A 815 SER OG : rot -54:sc= 0.757 USER MOD Single : A 816 LYS NZ :NH3+ 171:sc=-0.00478 (180deg=-0.101) USER MOD Single : A 820 SER OG : rot 33:sc= 0.469 USER MOD Single : A 821 MET CE :methyl -115:sc= -0.295 (180deg=-1.89!) USER MOD Single : A 822 THR OG1 : rot 180:sc= 0.0419 USER MOD Single : A 825 LYS NZ :NH3+ -171:sc= -0.0124 (180deg=-0.138) USER MOD Single : A 827 TYR OH : rot 180:sc= 0 USER MOD Single : A 828 ASN :FLIP amide:sc= -0.803 F(o=-4.4!,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.498 -16.084 -5.964 1.00 12.46 N ATOM 2 CA GLY A 1 -15.594 -15.703 -4.857 1.00 11.79 C ATOM 3 C GLY A 1 -15.360 -14.212 -4.833 1.00 10.99 C ATOM 4 O GLY A 1 -15.858 -13.494 -5.700 1.00 10.97 O ATOM 0 H1 GLY A 1 -17.360 -16.516 -5.575 1.00 12.46 H new ATOM 0 H2 GLY A 1 -16.752 -15.237 -6.512 1.00 12.46 H new ATOM 0 H3 GLY A 1 -16.018 -16.767 -6.585 1.00 12.46 H new ATOM 0 HA2 GLY A 1 -16.023 -16.022 -3.907 1.00 11.79 H new ATOM 0 HA3 GLY A 1 -14.642 -16.222 -4.967 1.00 11.79 H new ATOM 10 N THR A 2 -14.618 -13.739 -3.845 1.00 10.53 N ATOM 11 CA THR A 2 -14.281 -12.329 -3.759 1.00 9.94 C ATOM 12 C THR A 2 -13.199 -11.988 -4.781 1.00 9.34 C ATOM 13 O THR A 2 -12.002 -12.063 -4.495 1.00 9.37 O ATOM 14 CB THR A 2 -13.806 -11.963 -2.341 1.00 10.31 C ATOM 15 OG1 THR A 2 -14.756 -12.449 -1.383 1.00 10.84 O ATOM 16 CG2 THR A 2 -13.650 -10.457 -2.184 1.00 10.05 C ATOM 0 H THR A 2 -14.238 -14.312 -3.091 1.00 10.53 H new ATOM 0 HA THR A 2 -15.176 -11.748 -3.979 1.00 9.94 H new ATOM 0 HB THR A 2 -12.833 -12.425 -2.173 1.00 10.31 H new ATOM 0 HG1 THR A 2 -14.456 -12.219 -0.479 1.00 10.84 H new ATOM 0 HG21 THR A 2 -13.314 -10.230 -1.172 1.00 10.05 H new ATOM 0 HG22 THR A 2 -12.916 -10.090 -2.902 1.00 10.05 H new ATOM 0 HG23 THR A 2 -14.609 -9.971 -2.365 1.00 10.05 H new ATOM 24 N ARG A 3 -13.634 -11.630 -5.980 1.00 9.06 N ATOM 25 CA ARG A 3 -12.726 -11.376 -7.085 1.00 8.71 C ATOM 26 C ARG A 3 -12.274 -9.919 -7.091 1.00 7.87 C ATOM 27 O ARG A 3 -12.834 -9.074 -7.795 1.00 7.62 O ATOM 28 CB ARG A 3 -13.407 -11.747 -8.404 1.00 9.23 C ATOM 29 CG ARG A 3 -12.542 -11.535 -9.636 1.00 9.75 C ATOM 30 CD ARG A 3 -13.172 -12.164 -10.865 1.00 10.61 C ATOM 31 NE ARG A 3 -13.191 -13.623 -10.769 1.00 11.26 N ATOM 32 CZ ARG A 3 -13.775 -14.425 -11.653 1.00 12.04 C ATOM 33 NH1 ARG A 3 -14.473 -13.923 -12.662 1.00 12.27 N ATOM 34 NH2 ARG A 3 -13.679 -15.737 -11.507 1.00 12.75 N ATOM 0 H ARG A 3 -14.620 -11.508 -6.212 1.00 9.06 H new ATOM 0 HA ARG A 3 -11.836 -11.994 -6.964 1.00 8.71 H new ATOM 0 HB2 ARG A 3 -13.709 -12.794 -8.362 1.00 9.23 H new ATOM 0 HB3 ARG A 3 -14.318 -11.157 -8.508 1.00 9.23 H new ATOM 0 HG2 ARG A 3 -12.399 -10.467 -9.804 1.00 9.75 H new ATOM 0 HG3 ARG A 3 -11.555 -11.966 -9.469 1.00 9.75 H new ATOM 0 HD2 ARG A 3 -14.190 -11.793 -10.984 1.00 10.61 H new ATOM 0 HD3 ARG A 3 -12.617 -11.864 -11.754 1.00 10.61 H new ATOM 0 HE ARG A 3 -12.725 -14.054 -9.970 1.00 11.26 H new ATOM 0 HH11 ARG A 3 -14.566 -12.912 -12.765 1.00 12.27 H new ATOM 0 HH12 ARG A 3 -14.917 -14.547 -13.335 1.00 12.27 H new ATOM 0 HH21 ARG A 3 -13.159 -16.126 -10.720 1.00 12.75 H new ATOM 0 HH22 ARG A 3 -14.125 -16.359 -12.181 1.00 12.75 H new ATOM 48 N GLY A 783 -11.257 -9.638 -6.294 1.00 7.73 N ATOM 49 CA GLY A 783 -10.719 -8.300 -6.213 1.00 7.29 C ATOM 50 C GLY A 783 -9.271 -8.303 -5.772 1.00 7.97 C ATOM 51 O GLY A 783 -8.947 -8.768 -4.676 1.00 8.50 O ATOM 0 H GLY A 783 -10.791 -10.321 -5.696 1.00 7.73 H new ATOM 0 HA2 GLY A 783 -10.802 -7.815 -7.186 1.00 7.29 H new ATOM 0 HA3 GLY A 783 -11.311 -7.712 -5.512 1.00 7.29 H new ATOM 55 N VAL A 784 -8.395 -7.817 -6.636 1.00 8.24 N ATOM 56 CA VAL A 784 -6.985 -7.700 -6.299 1.00 9.12 C ATOM 57 C VAL A 784 -6.677 -6.257 -5.916 1.00 9.30 C ATOM 58 O VAL A 784 -6.466 -5.953 -4.748 1.00 9.84 O ATOM 59 CB VAL A 784 -6.077 -8.155 -7.465 1.00 9.81 C ATOM 60 CG1 VAL A 784 -4.609 -8.048 -7.081 1.00 10.40 C ATOM 61 CG2 VAL A 784 -6.417 -9.578 -7.884 1.00 10.02 C ATOM 0 H VAL A 784 -8.634 -7.497 -7.575 1.00 8.24 H new ATOM 0 HA VAL A 784 -6.778 -8.357 -5.455 1.00 9.12 H new ATOM 0 HB VAL A 784 -6.256 -7.494 -8.313 1.00 9.81 H new ATOM 0 HG11 VAL A 784 -3.990 -8.373 -7.917 1.00 10.40 H new ATOM 0 HG12 VAL A 784 -4.372 -7.013 -6.835 1.00 10.40 H new ATOM 0 HG13 VAL A 784 -4.412 -8.681 -6.216 1.00 10.40 H new ATOM 0 HG21 VAL A 784 -5.768 -9.880 -8.706 1.00 10.02 H new ATOM 0 HG22 VAL A 784 -6.271 -10.251 -7.039 1.00 10.02 H new ATOM 0 HG23 VAL A 784 -7.457 -9.623 -8.208 1.00 10.02 H new ATOM 71 N ASP A 785 -6.664 -5.378 -6.909 1.00 9.09 N ATOM 72 CA ASP A 785 -6.587 -3.937 -6.687 1.00 9.49 C ATOM 73 C ASP A 785 -7.526 -3.279 -7.682 1.00 9.26 C ATOM 74 O ASP A 785 -7.242 -2.229 -8.257 1.00 9.79 O ATOM 75 CB ASP A 785 -5.157 -3.406 -6.860 1.00 10.33 C ATOM 76 CG ASP A 785 -4.186 -3.973 -5.840 1.00 10.81 C ATOM 77 OD1 ASP A 785 -4.354 -3.680 -4.635 1.00 10.90 O ATOM 78 OD2 ASP A 785 -3.265 -4.721 -6.228 1.00 11.27 O ATOM 0 H ASP A 785 -6.707 -5.643 -7.893 1.00 9.09 H new ATOM 0 HA ASP A 785 -6.877 -3.706 -5.662 1.00 9.49 H new ATOM 0 HB2 ASP A 785 -4.804 -3.648 -7.863 1.00 10.33 H new ATOM 0 HB3 ASP A 785 -5.167 -2.319 -6.779 1.00 10.33 H new ATOM 83 N SER A 786 -8.645 -3.955 -7.880 1.00 8.72 N ATOM 84 CA SER A 786 -9.625 -3.609 -8.893 1.00 8.72 C ATOM 85 C SER A 786 -10.361 -2.314 -8.568 1.00 8.95 C ATOM 86 O SER A 786 -11.032 -2.218 -7.545 1.00 8.78 O ATOM 87 CB SER A 786 -10.635 -4.751 -8.991 1.00 8.32 C ATOM 88 OG SER A 786 -9.974 -6.008 -9.029 1.00 8.40 O ATOM 0 H SER A 786 -8.902 -4.775 -7.330 1.00 8.72 H new ATOM 0 HA SER A 786 -9.102 -3.457 -9.837 1.00 8.72 H new ATOM 0 HB2 SER A 786 -11.313 -4.717 -8.138 1.00 8.32 H new ATOM 0 HB3 SER A 786 -11.244 -4.628 -9.887 1.00 8.32 H new ATOM 0 HG SER A 786 -10.639 -6.725 -9.090 1.00 8.40 H new ATOM 94 N PRO A 787 -10.289 -1.313 -9.459 1.00 9.62 N ATOM 95 CA PRO A 787 -11.116 -0.106 -9.356 1.00 10.14 C ATOM 96 C PRO A 787 -12.587 -0.438 -9.611 1.00 9.98 C ATOM 97 O PRO A 787 -13.451 0.432 -9.608 1.00 10.54 O ATOM 98 CB PRO A 787 -10.572 0.813 -10.459 1.00 11.09 C ATOM 99 CG PRO A 787 -9.268 0.213 -10.871 1.00 11.09 C ATOM 100 CD PRO A 787 -9.391 -1.261 -10.619 1.00 10.19 C ATOM 0 HA PRO A 787 -11.071 0.351 -8.367 1.00 10.14 H new ATOM 0 HB2 PRO A 787 -11.262 0.867 -11.301 1.00 11.09 H new ATOM 0 HB3 PRO A 787 -10.437 1.830 -10.091 1.00 11.09 H new ATOM 0 HG2 PRO A 787 -9.062 0.413 -11.922 1.00 11.09 H new ATOM 0 HG3 PRO A 787 -8.444 0.639 -10.298 1.00 11.09 H new ATOM 0 HD2 PRO A 787 -9.808 -1.786 -11.478 1.00 10.19 H new ATOM 0 HD3 PRO A 787 -8.425 -1.718 -10.405 1.00 10.19 H new ATOM 108 N SER A 788 -12.838 -1.716 -9.853 1.00 9.44 N ATOM 109 CA SER A 788 -14.175 -2.232 -10.073 1.00 9.46 C ATOM 110 C SER A 788 -14.877 -2.530 -8.744 1.00 8.59 C ATOM 111 O SER A 788 -15.982 -2.048 -8.498 1.00 8.05 O ATOM 112 CB SER A 788 -14.076 -3.504 -10.916 1.00 9.78 C ATOM 113 OG SER A 788 -13.308 -3.274 -12.087 1.00 10.45 O ATOM 0 H SER A 788 -12.110 -2.429 -9.902 1.00 9.44 H new ATOM 0 HA SER A 788 -14.767 -1.481 -10.597 1.00 9.46 H new ATOM 0 HB2 SER A 788 -13.621 -4.301 -10.328 1.00 9.78 H new ATOM 0 HB3 SER A 788 -15.075 -3.842 -11.191 1.00 9.78 H new ATOM 0 HG SER A 788 -13.255 -4.100 -12.611 1.00 10.45 H new ATOM 119 N ALA A 789 -14.227 -3.314 -7.885 1.00 8.70 N ATOM 120 CA ALA A 789 -14.851 -3.765 -6.642 1.00 8.24 C ATOM 121 C ALA A 789 -14.012 -3.412 -5.415 1.00 7.43 C ATOM 122 O ALA A 789 -14.545 -3.256 -4.315 1.00 7.05 O ATOM 123 CB ALA A 789 -15.090 -5.267 -6.696 1.00 9.07 C ATOM 0 H ALA A 789 -13.274 -3.649 -8.026 1.00 8.70 H new ATOM 0 HA ALA A 789 -15.804 -3.244 -6.546 1.00 8.24 H new ATOM 0 HB1 ALA A 789 -15.555 -5.595 -5.766 1.00 9.07 H new ATOM 0 HB2 ALA A 789 -15.748 -5.501 -7.533 1.00 9.07 H new ATOM 0 HB3 ALA A 789 -14.139 -5.782 -6.827 1.00 9.07 H new ATOM 129 N GLU A 790 -12.707 -3.264 -5.606 1.00 7.41 N ATOM 130 CA GLU A 790 -11.795 -2.999 -4.492 1.00 6.85 C ATOM 131 C GLU A 790 -11.863 -1.556 -4.033 1.00 6.15 C ATOM 132 O GLU A 790 -11.221 -1.190 -3.057 1.00 5.57 O ATOM 133 CB GLU A 790 -10.356 -3.325 -4.871 1.00 7.52 C ATOM 134 CG GLU A 790 -10.047 -4.813 -4.890 1.00 8.34 C ATOM 135 CD GLU A 790 -10.069 -5.422 -3.502 1.00 8.89 C ATOM 136 OE1 GLU A 790 -9.021 -5.387 -2.819 1.00 9.04 O ATOM 137 OE2 GLU A 790 -11.127 -5.937 -3.091 1.00 9.34 O ATOM 0 H GLU A 790 -12.254 -3.322 -6.518 1.00 7.41 H new ATOM 0 HA GLU A 790 -12.115 -3.644 -3.674 1.00 6.85 H new ATOM 0 HB2 GLU A 790 -10.146 -2.908 -5.856 1.00 7.52 H new ATOM 0 HB3 GLU A 790 -9.685 -2.833 -4.167 1.00 7.52 H new ATOM 0 HG2 GLU A 790 -10.774 -5.325 -5.521 1.00 8.34 H new ATOM 0 HG3 GLU A 790 -9.067 -4.973 -5.339 1.00 8.34 H new ATOM 144 N LEU A 791 -12.648 -0.734 -4.715 1.00 6.47 N ATOM 145 CA LEU A 791 -12.775 0.663 -4.322 1.00 6.23 C ATOM 146 C LEU A 791 -13.576 0.793 -3.033 1.00 5.59 C ATOM 147 O LEU A 791 -13.779 1.883 -2.501 1.00 5.63 O ATOM 148 CB LEU A 791 -13.386 1.511 -5.447 1.00 7.19 C ATOM 149 CG LEU A 791 -14.581 0.902 -6.201 1.00 8.14 C ATOM 150 CD1 LEU A 791 -15.776 0.677 -5.285 1.00 8.67 C ATOM 151 CD2 LEU A 791 -14.976 1.807 -7.353 1.00 8.68 C ATOM 0 H LEU A 791 -13.199 -1.004 -5.530 1.00 6.47 H new ATOM 0 HA LEU A 791 -11.773 1.048 -4.135 1.00 6.23 H new ATOM 0 HB2 LEU A 791 -13.702 2.464 -5.022 1.00 7.19 H new ATOM 0 HB3 LEU A 791 -12.602 1.730 -6.172 1.00 7.19 H new ATOM 0 HG LEU A 791 -14.272 -0.071 -6.584 1.00 8.14 H new ATOM 0 HD11 LEU A 791 -16.597 0.246 -5.858 1.00 8.67 H new ATOM 0 HD12 LEU A 791 -15.496 -0.005 -4.482 1.00 8.67 H new ATOM 0 HD13 LEU A 791 -16.092 1.629 -4.858 1.00 8.67 H new ATOM 0 HD21 LEU A 791 -15.823 1.372 -7.884 1.00 8.68 H new ATOM 0 HD22 LEU A 791 -15.255 2.787 -6.966 1.00 8.68 H new ATOM 0 HD23 LEU A 791 -14.134 1.913 -8.037 1.00 8.68 H new ATOM 163 N ASP A 792 -14.006 -0.348 -2.541 1.00 5.35 N ATOM 164 CA ASP A 792 -14.726 -0.443 -1.282 1.00 5.15 C ATOM 165 C ASP A 792 -13.854 -1.200 -0.284 1.00 4.42 C ATOM 166 O ASP A 792 -14.330 -1.906 0.603 1.00 4.59 O ATOM 167 CB ASP A 792 -16.068 -1.152 -1.505 1.00 5.99 C ATOM 168 CG ASP A 792 -16.936 -1.193 -0.263 1.00 6.61 C ATOM 169 OD1 ASP A 792 -17.336 -0.115 0.216 1.00 6.86 O ATOM 170 OD2 ASP A 792 -17.211 -2.298 0.244 1.00 7.10 O ATOM 0 H ASP A 792 -13.867 -1.246 -3.004 1.00 5.35 H new ATOM 0 HA ASP A 792 -14.939 0.549 -0.884 1.00 5.15 H new ATOM 0 HB2 ASP A 792 -16.611 -0.645 -2.303 1.00 5.99 H new ATOM 0 HB3 ASP A 792 -15.881 -2.171 -1.844 1.00 5.99 H new ATOM 175 N LYS A 793 -12.552 -1.003 -0.444 1.00 4.10 N ATOM 176 CA LYS A 793 -11.522 -1.735 0.290 1.00 4.01 C ATOM 177 C LYS A 793 -10.223 -0.935 0.257 1.00 3.58 C ATOM 178 O LYS A 793 -9.479 -0.878 1.240 1.00 4.03 O ATOM 179 CB LYS A 793 -11.260 -3.119 -0.339 1.00 4.28 C ATOM 180 CG LYS A 793 -12.430 -4.091 -0.275 1.00 4.61 C ATOM 181 CD LYS A 793 -12.633 -4.643 1.128 1.00 5.21 C ATOM 182 CE LYS A 793 -11.550 -5.645 1.499 1.00 5.75 C ATOM 183 NZ LYS A 793 -11.782 -6.240 2.842 1.00 6.30 N ATOM 0 H LYS A 793 -12.173 -0.319 -1.098 1.00 4.10 H new ATOM 0 HA LYS A 793 -11.869 -1.876 1.314 1.00 4.01 H new ATOM 0 HB2 LYS A 793 -10.981 -2.979 -1.383 1.00 4.28 H new ATOM 0 HB3 LYS A 793 -10.404 -3.572 0.161 1.00 4.28 H new ATOM 0 HG2 LYS A 793 -13.339 -3.587 -0.602 1.00 4.61 H new ATOM 0 HG3 LYS A 793 -12.256 -4.915 -0.967 1.00 4.61 H new ATOM 0 HD2 LYS A 793 -12.632 -3.823 1.846 1.00 5.21 H new ATOM 0 HD3 LYS A 793 -13.610 -5.122 1.193 1.00 5.21 H new ATOM 0 HE2 LYS A 793 -11.517 -6.438 0.751 1.00 5.75 H new ATOM 0 HE3 LYS A 793 -10.578 -5.152 1.483 1.00 5.75 H new ATOM 0 HZ1 LYS A 793 -11.023 -6.917 3.058 1.00 6.30 H new ATOM 0 HZ2 LYS A 793 -11.788 -5.487 3.559 1.00 6.30 H new ATOM 0 HZ3 LYS A 793 -12.698 -6.733 2.850 1.00 6.30 H new ATOM 197 N LYS A 794 -9.966 -0.313 -0.887 1.00 3.13 N ATOM 198 CA LYS A 794 -8.789 0.496 -1.098 1.00 2.87 C ATOM 199 C LYS A 794 -9.085 1.550 -2.162 1.00 2.23 C ATOM 200 O LYS A 794 -9.918 1.334 -3.042 1.00 2.88 O ATOM 201 CB LYS A 794 -7.631 -0.399 -1.553 1.00 3.43 C ATOM 202 CG LYS A 794 -7.927 -1.132 -2.854 1.00 4.13 C ATOM 203 CD LYS A 794 -6.852 -2.140 -3.215 1.00 4.94 C ATOM 204 CE LYS A 794 -6.737 -3.242 -2.177 1.00 5.82 C ATOM 205 NZ LYS A 794 -5.956 -4.392 -2.692 1.00 6.55 N ATOM 0 H LYS A 794 -10.581 -0.362 -1.699 1.00 3.13 H new ATOM 0 HA LYS A 794 -8.511 0.994 -0.169 1.00 2.87 H new ATOM 0 HB2 LYS A 794 -6.736 0.210 -1.680 1.00 3.43 H new ATOM 0 HB3 LYS A 794 -7.413 -1.128 -0.772 1.00 3.43 H new ATOM 0 HG2 LYS A 794 -8.885 -1.644 -2.768 1.00 4.13 H new ATOM 0 HG3 LYS A 794 -8.025 -0.406 -3.661 1.00 4.13 H new ATOM 0 HD2 LYS A 794 -7.078 -2.579 -4.187 1.00 4.94 H new ATOM 0 HD3 LYS A 794 -5.893 -1.630 -3.311 1.00 4.94 H new ATOM 0 HE2 LYS A 794 -6.260 -2.849 -1.279 1.00 5.82 H new ATOM 0 HE3 LYS A 794 -7.733 -3.577 -1.888 1.00 5.82 H new ATOM 0 HZ1 LYS A 794 -5.737 -5.041 -1.909 1.00 6.55 H new ATOM 0 HZ2 LYS A 794 -6.512 -4.894 -3.413 1.00 6.55 H new ATOM 0 HZ3 LYS A 794 -5.070 -4.048 -3.115 1.00 6.55 H new ATOM 219 N ALA A 795 -8.407 2.683 -2.075 1.00 1.46 N ATOM 220 CA ALA A 795 -8.613 3.785 -3.013 1.00 1.19 C ATOM 221 C ALA A 795 -7.536 4.832 -2.825 1.00 0.93 C ATOM 222 O ALA A 795 -7.021 5.402 -3.788 1.00 1.48 O ATOM 223 CB ALA A 795 -9.994 4.398 -2.834 1.00 1.56 C ATOM 0 H ALA A 795 -7.703 2.868 -1.360 1.00 1.46 H new ATOM 0 HA ALA A 795 -8.550 3.394 -4.028 1.00 1.19 H new ATOM 0 HB1 ALA A 795 -10.124 5.216 -3.543 1.00 1.56 H new ATOM 0 HB2 ALA A 795 -10.755 3.639 -3.013 1.00 1.56 H new ATOM 0 HB3 ALA A 795 -10.094 4.779 -1.818 1.00 1.56 H new ATOM 229 N ASN A 796 -7.194 5.062 -1.573 1.00 0.66 N ATOM 230 CA ASN A 796 -6.059 5.911 -1.223 1.00 0.56 C ATOM 231 C ASN A 796 -4.756 5.155 -1.459 1.00 0.43 C ATOM 232 O ASN A 796 -4.054 4.766 -0.520 1.00 0.44 O ATOM 233 CB ASN A 796 -6.158 6.394 0.235 1.00 0.75 C ATOM 234 CG ASN A 796 -6.589 5.315 1.231 1.00 0.93 C ATOM 235 OD1 ASN A 796 -6.220 4.064 0.985 1.00 1.68 O flip ATOM 236 ND2 ASN A 796 -7.239 5.613 2.233 1.00 1.01 N flip ATOM 0 H ASN A 796 -7.687 4.671 -0.770 1.00 0.66 H new ATOM 0 HA ASN A 796 -6.074 6.794 -1.862 1.00 0.56 H new ATOM 0 HB2 ASN A 796 -5.189 6.787 0.541 1.00 0.75 H new ATOM 0 HB3 ASN A 796 -6.867 7.220 0.284 1.00 0.75 H new ATOM 0 HD21 ASN A 796 -7.509 6.583 2.396 1.00 1.01 H new ATOM 0 HD22 ASN A 796 -7.508 4.890 2.900 1.00 1.01 H new ATOM 243 N LEU A 797 -4.460 4.913 -2.724 1.00 0.40 N ATOM 244 CA LEU A 797 -3.313 4.128 -3.110 1.00 0.32 C ATOM 245 C LEU A 797 -2.139 5.024 -3.466 1.00 0.30 C ATOM 246 O LEU A 797 -2.309 6.118 -4.006 1.00 0.38 O ATOM 247 CB LEU A 797 -3.657 3.252 -4.316 1.00 0.38 C ATOM 248 CG LEU A 797 -4.999 2.514 -4.245 1.00 0.44 C ATOM 249 CD1 LEU A 797 -5.208 1.673 -5.494 1.00 0.55 C ATOM 250 CD2 LEU A 797 -5.076 1.646 -3.003 1.00 0.45 C ATOM 0 H LEU A 797 -5.012 5.258 -3.509 1.00 0.40 H new ATOM 0 HA LEU A 797 -3.036 3.499 -2.264 1.00 0.32 H new ATOM 0 HB2 LEU A 797 -3.655 3.878 -5.208 1.00 0.38 H new ATOM 0 HB3 LEU A 797 -2.865 2.514 -4.443 1.00 0.38 H new ATOM 0 HG LEU A 797 -5.793 3.258 -4.188 1.00 0.44 H new ATOM 0 HD11 LEU A 797 -6.165 1.155 -5.428 1.00 0.55 H new ATOM 0 HD12 LEU A 797 -5.204 2.319 -6.372 1.00 0.55 H new ATOM 0 HD13 LEU A 797 -4.405 0.941 -5.578 1.00 0.55 H new ATOM 0 HD21 LEU A 797 -6.038 1.133 -2.976 1.00 0.45 H new ATOM 0 HD22 LEU A 797 -4.273 0.910 -3.023 1.00 0.45 H new ATOM 0 HD23 LEU A 797 -4.973 2.271 -2.116 1.00 0.45 H new ATOM 262 N LEU A 798 -0.963 4.528 -3.172 1.00 0.23 N ATOM 263 CA LEU A 798 0.288 5.137 -3.579 1.00 0.23 C ATOM 264 C LEU A 798 1.235 3.986 -3.823 1.00 0.21 C ATOM 265 O LEU A 798 0.823 2.834 -3.658 1.00 0.43 O ATOM 266 CB LEU A 798 0.809 6.177 -2.544 1.00 0.31 C ATOM 267 CG LEU A 798 1.182 5.705 -1.120 1.00 0.39 C ATOM 268 CD1 LEU A 798 0.058 4.932 -0.452 1.00 1.30 C ATOM 269 CD2 LEU A 798 2.459 4.892 -1.139 1.00 1.31 C ATOM 0 H LEU A 798 -0.841 3.671 -2.632 1.00 0.23 H new ATOM 0 HA LEU A 798 0.174 5.732 -4.485 1.00 0.23 H new ATOM 0 HB2 LEU A 798 1.691 6.653 -2.973 1.00 0.31 H new ATOM 0 HB3 LEU A 798 0.047 6.950 -2.444 1.00 0.31 H new ATOM 0 HG LEU A 798 1.349 6.601 -0.522 1.00 0.39 H new ATOM 0 HD11 LEU A 798 0.371 4.623 0.545 1.00 1.30 H new ATOM 0 HD12 LEU A 798 -0.825 5.567 -0.375 1.00 1.30 H new ATOM 0 HD13 LEU A 798 -0.180 4.050 -1.046 1.00 1.30 H new ATOM 0 HD21 LEU A 798 2.701 4.571 -0.126 1.00 1.31 H new ATOM 0 HD22 LEU A 798 2.324 4.017 -1.774 1.00 1.31 H new ATOM 0 HD23 LEU A 798 3.273 5.502 -1.531 1.00 1.31 H new ATOM 281 N LYS A 799 2.468 4.223 -4.216 1.00 0.27 N ATOM 282 CA LYS A 799 3.299 3.083 -4.520 1.00 0.25 C ATOM 283 C LYS A 799 4.737 3.257 -4.082 1.00 0.23 C ATOM 284 O LYS A 799 5.318 4.343 -4.115 1.00 0.28 O ATOM 285 CB LYS A 799 3.223 2.696 -6.005 1.00 0.27 C ATOM 286 CG LYS A 799 3.928 3.654 -6.963 1.00 0.32 C ATOM 287 CD LYS A 799 3.217 4.994 -7.068 1.00 1.11 C ATOM 288 CE LYS A 799 3.753 5.814 -8.228 1.00 1.03 C ATOM 289 NZ LYS A 799 3.061 7.123 -8.351 1.00 1.78 N ATOM 0 H LYS A 799 2.898 5.141 -4.328 1.00 0.27 H new ATOM 0 HA LYS A 799 2.890 2.261 -3.933 1.00 0.25 H new ATOM 0 HB2 LYS A 799 3.654 1.702 -6.128 1.00 0.27 H new ATOM 0 HB3 LYS A 799 2.174 2.626 -6.293 1.00 0.27 H new ATOM 0 HG2 LYS A 799 4.952 3.814 -6.625 1.00 0.32 H new ATOM 0 HG3 LYS A 799 3.986 3.198 -7.951 1.00 0.32 H new ATOM 0 HD2 LYS A 799 2.147 4.831 -7.199 1.00 1.11 H new ATOM 0 HD3 LYS A 799 3.344 5.549 -6.138 1.00 1.11 H new ATOM 0 HE2 LYS A 799 4.822 5.980 -8.091 1.00 1.03 H new ATOM 0 HE3 LYS A 799 3.634 5.252 -9.155 1.00 1.03 H new ATOM 0 HZ1 LYS A 799 3.457 7.651 -9.155 1.00 1.78 H new ATOM 0 HZ2 LYS A 799 2.045 6.965 -8.507 1.00 1.78 H new ATOM 0 HZ3 LYS A 799 3.196 7.670 -7.477 1.00 1.78 H new ATOM 303 N CYS A 800 5.248 2.130 -3.628 1.00 0.21 N ATOM 304 CA CYS A 800 6.608 1.938 -3.179 1.00 0.23 C ATOM 305 C CYS A 800 7.623 2.527 -4.148 1.00 0.21 C ATOM 306 O CYS A 800 7.750 2.058 -5.275 1.00 0.25 O ATOM 307 CB CYS A 800 6.766 0.429 -3.078 1.00 0.30 C ATOM 308 SG CYS A 800 8.374 -0.205 -2.586 1.00 0.28 S ATOM 0 H CYS A 800 4.692 1.277 -3.560 1.00 0.21 H new ATOM 0 HA CYS A 800 6.791 2.446 -2.232 1.00 0.23 H new ATOM 0 HB2 CYS A 800 6.027 0.060 -2.367 1.00 0.30 H new ATOM 0 HB3 CYS A 800 6.517 -0.001 -4.048 1.00 0.30 H new ATOM 313 N GLU A 801 8.342 3.551 -3.700 1.00 0.22 N ATOM 314 CA GLU A 801 9.373 4.205 -4.507 1.00 0.27 C ATOM 315 C GLU A 801 10.519 3.267 -4.897 1.00 0.27 C ATOM 316 O GLU A 801 11.492 3.699 -5.519 1.00 0.36 O ATOM 317 CB GLU A 801 9.945 5.402 -3.751 1.00 0.42 C ATOM 318 CG GLU A 801 8.932 6.502 -3.478 1.00 1.31 C ATOM 319 CD GLU A 801 9.555 7.680 -2.764 1.00 1.87 C ATOM 320 OE1 GLU A 801 10.279 8.461 -3.420 1.00 2.31 O ATOM 321 OE2 GLU A 801 9.343 7.826 -1.545 1.00 2.42 O ATOM 0 H GLU A 801 8.229 3.952 -2.769 1.00 0.22 H new ATOM 0 HA GLU A 801 8.886 4.525 -5.428 1.00 0.27 H new ATOM 0 HB2 GLU A 801 10.356 5.057 -2.802 1.00 0.42 H new ATOM 0 HB3 GLU A 801 10.773 5.819 -4.324 1.00 0.42 H new ATOM 0 HG2 GLU A 801 8.498 6.837 -4.420 1.00 1.31 H new ATOM 0 HG3 GLU A 801 8.116 6.103 -2.875 1.00 1.31 H new ATOM 328 N TYR A 802 10.421 1.995 -4.544 1.00 0.24 N ATOM 329 CA TYR A 802 11.459 1.047 -4.901 1.00 0.28 C ATOM 330 C TYR A 802 10.999 0.169 -6.065 1.00 0.28 C ATOM 331 O TYR A 802 11.716 0.018 -7.052 1.00 0.51 O ATOM 332 CB TYR A 802 11.865 0.193 -3.692 1.00 0.31 C ATOM 333 CG TYR A 802 13.209 -0.482 -3.849 1.00 0.42 C ATOM 334 CD1 TYR A 802 14.378 0.184 -3.508 1.00 0.53 C ATOM 335 CD2 TYR A 802 13.312 -1.779 -4.341 1.00 0.53 C ATOM 336 CE1 TYR A 802 15.611 -0.421 -3.647 1.00 0.67 C ATOM 337 CE2 TYR A 802 14.542 -2.390 -4.482 1.00 0.67 C ATOM 338 CZ TYR A 802 15.688 -1.706 -4.134 1.00 0.72 C ATOM 339 OH TYR A 802 16.917 -2.312 -4.267 1.00 0.87 O ATOM 0 H TYR A 802 9.642 1.600 -4.017 1.00 0.24 H new ATOM 0 HA TYR A 802 12.339 1.605 -5.220 1.00 0.28 H new ATOM 0 HB2 TYR A 802 11.887 0.824 -2.803 1.00 0.31 H new ATOM 0 HB3 TYR A 802 11.103 -0.568 -3.524 1.00 0.31 H new ATOM 0 HD1 TYR A 802 14.322 1.193 -3.127 1.00 0.53 H new ATOM 0 HD2 TYR A 802 12.416 -2.316 -4.617 1.00 0.53 H new ATOM 0 HE1 TYR A 802 16.511 0.111 -3.375 1.00 0.67 H new ATOM 0 HE2 TYR A 802 14.606 -3.399 -4.863 1.00 0.67 H new ATOM 0 HH TYR A 802 17.530 -1.961 -3.588 1.00 0.87 H new ATOM 349 N CYS A 803 9.800 -0.393 -5.961 1.00 0.28 N ATOM 350 CA CYS A 803 9.288 -1.284 -7.005 1.00 0.26 C ATOM 351 C CYS A 803 8.073 -0.703 -7.737 1.00 0.22 C ATOM 352 O CYS A 803 7.864 -0.998 -8.915 1.00 0.25 O ATOM 353 CB CYS A 803 8.965 -2.662 -6.419 1.00 0.29 C ATOM 354 SG CYS A 803 8.006 -2.602 -4.879 1.00 0.29 S ATOM 0 H CYS A 803 9.167 -0.252 -5.174 1.00 0.28 H new ATOM 0 HA CYS A 803 10.077 -1.390 -7.750 1.00 0.26 H new ATOM 0 HB2 CYS A 803 8.410 -3.239 -7.159 1.00 0.29 H new ATOM 0 HB3 CYS A 803 9.898 -3.195 -6.234 1.00 0.29 H new ATOM 359 N GLY A 804 7.285 0.121 -7.070 1.00 0.22 N ATOM 360 CA GLY A 804 6.181 0.781 -7.744 1.00 0.24 C ATOM 361 C GLY A 804 4.873 0.038 -7.591 1.00 0.23 C ATOM 362 O GLY A 804 3.957 0.212 -8.391 1.00 0.27 O ATOM 0 H GLY A 804 7.385 0.347 -6.080 1.00 0.22 H new ATOM 0 HA2 GLY A 804 6.069 1.790 -7.346 1.00 0.24 H new ATOM 0 HA3 GLY A 804 6.415 0.880 -8.804 1.00 0.24 H new ATOM 366 N LYS A 805 4.777 -0.787 -6.560 1.00 0.22 N ATOM 367 CA LYS A 805 3.552 -1.523 -6.298 1.00 0.26 C ATOM 368 C LYS A 805 2.520 -0.611 -5.653 1.00 0.20 C ATOM 369 O LYS A 805 2.787 0.010 -4.618 1.00 0.21 O ATOM 370 CB LYS A 805 3.822 -2.726 -5.393 1.00 0.39 C ATOM 371 CG LYS A 805 4.686 -3.798 -6.037 1.00 0.96 C ATOM 372 CD LYS A 805 4.864 -4.993 -5.113 1.00 1.57 C ATOM 373 CE LYS A 805 5.724 -6.076 -5.750 1.00 2.01 C ATOM 374 NZ LYS A 805 5.094 -6.643 -6.974 1.00 2.31 N ATOM 0 H LYS A 805 5.529 -0.963 -5.894 1.00 0.22 H new ATOM 0 HA LYS A 805 3.164 -1.887 -7.249 1.00 0.26 H new ATOM 0 HB2 LYS A 805 4.308 -2.380 -4.481 1.00 0.39 H new ATOM 0 HB3 LYS A 805 2.870 -3.168 -5.099 1.00 0.39 H new ATOM 0 HG2 LYS A 805 4.229 -4.123 -6.972 1.00 0.96 H new ATOM 0 HG3 LYS A 805 5.661 -3.380 -6.287 1.00 0.96 H new ATOM 0 HD2 LYS A 805 5.323 -4.666 -4.180 1.00 1.57 H new ATOM 0 HD3 LYS A 805 3.887 -5.406 -4.860 1.00 1.57 H new ATOM 0 HE2 LYS A 805 6.700 -5.661 -6.004 1.00 2.01 H new ATOM 0 HE3 LYS A 805 5.895 -6.874 -5.028 1.00 2.01 H new ATOM 0 HZ1 LYS A 805 5.613 -7.495 -7.269 1.00 2.31 H new ATOM 0 HZ2 LYS A 805 4.105 -6.893 -6.771 1.00 2.31 H new ATOM 0 HZ3 LYS A 805 5.123 -5.938 -7.738 1.00 2.31 H new ATOM 388 N TYR A 806 1.347 -0.545 -6.262 1.00 0.18 N ATOM 389 CA TYR A 806 0.279 0.322 -5.789 1.00 0.18 C ATOM 390 C TYR A 806 -0.540 -0.418 -4.750 1.00 0.21 C ATOM 391 O TYR A 806 -0.955 -1.557 -4.962 1.00 0.26 O ATOM 392 CB TYR A 806 -0.627 0.773 -6.939 1.00 0.23 C ATOM 393 CG TYR A 806 0.089 1.501 -8.054 1.00 0.34 C ATOM 394 CD1 TYR A 806 0.744 0.801 -9.058 1.00 0.50 C ATOM 395 CD2 TYR A 806 0.120 2.889 -8.094 1.00 0.49 C ATOM 396 CE1 TYR A 806 1.411 1.464 -10.071 1.00 0.69 C ATOM 397 CE2 TYR A 806 0.780 3.558 -9.103 1.00 0.66 C ATOM 398 CZ TYR A 806 1.388 2.837 -10.116 1.00 0.72 C ATOM 399 OH TYR A 806 2.088 3.512 -11.092 1.00 0.93 O ATOM 0 H TYR A 806 1.109 -1.087 -7.093 1.00 0.18 H new ATOM 0 HA TYR A 806 0.727 1.213 -5.349 1.00 0.18 H new ATOM 0 HB2 TYR A 806 -1.126 -0.102 -7.356 1.00 0.23 H new ATOM 0 HB3 TYR A 806 -1.405 1.423 -6.538 1.00 0.23 H new ATOM 0 HD1 TYR A 806 0.732 -0.279 -9.047 1.00 0.50 H new ATOM 0 HD2 TYR A 806 -0.381 3.454 -7.322 1.00 0.49 H new ATOM 0 HE1 TYR A 806 1.948 0.905 -10.824 1.00 0.69 H new ATOM 0 HE2 TYR A 806 0.822 4.637 -9.103 1.00 0.66 H new ATOM 0 HH TYR A 806 1.961 4.477 -10.977 1.00 0.93 H new ATOM 409 N ALA A 807 -0.765 0.237 -3.630 1.00 0.22 N ATOM 410 CA ALA A 807 -1.412 -0.395 -2.501 1.00 0.26 C ATOM 411 C ALA A 807 -2.016 0.655 -1.589 1.00 0.24 C ATOM 412 O ALA A 807 -1.663 1.834 -1.674 1.00 0.24 O ATOM 413 CB ALA A 807 -0.399 -1.253 -1.748 1.00 0.31 C ATOM 0 H ALA A 807 -0.507 1.212 -3.478 1.00 0.22 H new ATOM 0 HA ALA A 807 -2.218 -1.037 -2.857 1.00 0.26 H new ATOM 0 HB1 ALA A 807 -0.887 -1.729 -0.897 1.00 0.31 H new ATOM 0 HB2 ALA A 807 -0.004 -2.019 -2.415 1.00 0.31 H new ATOM 0 HB3 ALA A 807 0.418 -0.624 -1.393 1.00 0.31 H new ATOM 419 N PRO A 808 -2.961 0.253 -0.729 1.00 0.25 N ATOM 420 CA PRO A 808 -3.562 1.154 0.246 1.00 0.24 C ATOM 421 C PRO A 808 -2.516 1.694 1.203 1.00 0.22 C ATOM 422 O PRO A 808 -1.662 0.951 1.686 1.00 0.24 O ATOM 423 CB PRO A 808 -4.569 0.272 0.993 1.00 0.28 C ATOM 424 CG PRO A 808 -4.142 -1.129 0.721 1.00 0.57 C ATOM 425 CD PRO A 808 -3.510 -1.108 -0.639 1.00 0.32 C ATOM 0 HA PRO A 808 -4.024 2.024 -0.220 1.00 0.24 H new ATOM 0 HB2 PRO A 808 -4.561 0.485 2.062 1.00 0.28 H new ATOM 0 HB3 PRO A 808 -5.585 0.449 0.640 1.00 0.28 H new ATOM 0 HG2 PRO A 808 -3.435 -1.476 1.475 1.00 0.57 H new ATOM 0 HG3 PRO A 808 -4.994 -1.809 0.746 1.00 0.57 H new ATOM 0 HD2 PRO A 808 -2.731 -1.864 -0.733 1.00 0.32 H new ATOM 0 HD3 PRO A 808 -4.239 -1.302 -1.426 1.00 0.32 H new ATOM 433 N ALA A 809 -2.575 3.004 1.424 1.00 0.22 N ATOM 434 CA ALA A 809 -1.686 3.705 2.352 1.00 0.24 C ATOM 435 C ALA A 809 -1.523 2.944 3.664 1.00 0.24 C ATOM 436 O ALA A 809 -0.443 2.886 4.238 1.00 0.29 O ATOM 437 CB ALA A 809 -2.231 5.099 2.627 1.00 0.28 C ATOM 0 H ALA A 809 -3.246 3.617 0.961 1.00 0.22 H new ATOM 0 HA ALA A 809 -0.703 3.776 1.886 1.00 0.24 H new ATOM 0 HB1 ALA A 809 -1.568 5.619 3.318 1.00 0.28 H new ATOM 0 HB2 ALA A 809 -2.291 5.657 1.693 1.00 0.28 H new ATOM 0 HB3 ALA A 809 -3.225 5.021 3.068 1.00 0.28 H new ATOM 443 N GLU A 810 -2.622 2.354 4.101 1.00 0.23 N ATOM 444 CA GLU A 810 -2.690 1.610 5.350 1.00 0.25 C ATOM 445 C GLU A 810 -1.770 0.387 5.325 1.00 0.26 C ATOM 446 O GLU A 810 -1.281 -0.066 6.361 1.00 0.34 O ATOM 447 CB GLU A 810 -4.137 1.182 5.582 1.00 0.31 C ATOM 448 CG GLU A 810 -4.414 0.721 6.996 1.00 1.25 C ATOM 449 CD GLU A 810 -4.066 1.774 8.028 1.00 2.13 C ATOM 450 OE1 GLU A 810 -4.708 2.845 8.033 1.00 2.64 O ATOM 451 OE2 GLU A 810 -3.142 1.542 8.838 1.00 2.86 O ATOM 0 H GLU A 810 -3.506 2.378 3.592 1.00 0.23 H new ATOM 0 HA GLU A 810 -2.352 2.251 6.165 1.00 0.25 H new ATOM 0 HB2 GLU A 810 -4.796 2.017 5.346 1.00 0.31 H new ATOM 0 HB3 GLU A 810 -4.384 0.376 4.891 1.00 0.31 H new ATOM 0 HG2 GLU A 810 -5.468 0.460 7.090 1.00 1.25 H new ATOM 0 HG3 GLU A 810 -3.842 -0.184 7.198 1.00 1.25 H new ATOM 458 N GLN A 811 -1.537 -0.134 4.130 1.00 0.30 N ATOM 459 CA GLN A 811 -0.735 -1.335 3.955 1.00 0.39 C ATOM 460 C GLN A 811 0.739 -0.985 4.038 1.00 0.40 C ATOM 461 O GLN A 811 1.570 -1.808 4.424 1.00 0.54 O ATOM 462 CB GLN A 811 -1.068 -2.006 2.617 1.00 0.55 C ATOM 463 CG GLN A 811 -0.230 -3.242 2.310 1.00 0.79 C ATOM 464 CD GLN A 811 0.781 -3.038 1.192 1.00 0.76 C ATOM 465 OE1 GLN A 811 1.277 -1.821 1.036 1.00 1.28 O flip ATOM 466 NE2 GLN A 811 1.123 -3.977 0.476 1.00 0.80 N flip ATOM 0 H GLN A 811 -1.895 0.260 3.260 1.00 0.30 H new ATOM 0 HA GLN A 811 -0.967 -2.042 4.752 1.00 0.39 H new ATOM 0 HB2 GLN A 811 -2.121 -2.286 2.616 1.00 0.55 H new ATOM 0 HB3 GLN A 811 -0.931 -1.280 1.816 1.00 0.55 H new ATOM 0 HG2 GLN A 811 0.299 -3.544 3.214 1.00 0.79 H new ATOM 0 HG3 GLN A 811 -0.895 -4.062 2.040 1.00 0.79 H new ATOM 0 HE21 GLN A 811 0.721 -4.903 0.623 1.00 0.80 H new ATOM 0 HE22 GLN A 811 1.809 -3.830 -0.265 1.00 0.80 H new ATOM 475 N PHE A 812 1.063 0.242 3.660 1.00 0.41 N ATOM 476 CA PHE A 812 2.425 0.729 3.752 1.00 0.45 C ATOM 477 C PHE A 812 2.836 0.976 5.199 1.00 0.50 C ATOM 478 O PHE A 812 3.002 2.120 5.626 1.00 0.50 O ATOM 479 CB PHE A 812 2.583 2.014 2.936 1.00 0.43 C ATOM 480 CG PHE A 812 2.540 1.787 1.454 1.00 0.41 C ATOM 481 CD1 PHE A 812 1.334 1.685 0.787 1.00 0.42 C ATOM 482 CD2 PHE A 812 3.714 1.672 0.728 1.00 0.53 C ATOM 483 CE1 PHE A 812 1.297 1.470 -0.576 1.00 0.46 C ATOM 484 CE2 PHE A 812 3.683 1.456 -0.635 1.00 0.54 C ATOM 485 CZ PHE A 812 2.474 1.354 -1.288 1.00 0.46 C ATOM 0 H PHE A 812 0.397 0.918 3.286 1.00 0.41 H new ATOM 0 HA PHE A 812 3.080 -0.041 3.344 1.00 0.45 H new ATOM 0 HB2 PHE A 812 1.792 2.711 3.213 1.00 0.43 H new ATOM 0 HB3 PHE A 812 3.530 2.487 3.196 1.00 0.43 H new ATOM 0 HD1 PHE A 812 0.410 1.775 1.339 1.00 0.42 H new ATOM 0 HD2 PHE A 812 4.665 1.752 1.234 1.00 0.53 H new ATOM 0 HE1 PHE A 812 0.348 1.393 -1.085 1.00 0.46 H new ATOM 0 HE2 PHE A 812 4.606 1.367 -1.189 1.00 0.54 H new ATOM 0 HZ PHE A 812 2.447 1.184 -2.354 1.00 0.46 H new ATOM 495 N ARG A 813 3.023 -0.109 5.935 1.00 0.61 N ATOM 496 CA ARG A 813 3.534 -0.046 7.301 1.00 0.70 C ATOM 497 C ARG A 813 5.009 0.344 7.284 1.00 0.61 C ATOM 498 O ARG A 813 5.621 0.564 8.328 1.00 1.07 O ATOM 499 CB ARG A 813 3.357 -1.399 8.003 1.00 0.98 C ATOM 500 CG ARG A 813 1.907 -1.839 8.127 1.00 1.09 C ATOM 501 CD ARG A 813 1.780 -3.173 8.848 1.00 1.43 C ATOM 502 NE ARG A 813 2.266 -3.110 10.229 1.00 2.25 N ATOM 503 CZ ARG A 813 1.797 -3.868 11.222 1.00 3.06 C ATOM 504 NH1 ARG A 813 0.846 -4.765 10.992 1.00 3.30 N ATOM 505 NH2 ARG A 813 2.299 -3.739 12.443 1.00 4.06 N ATOM 0 H ARG A 813 2.827 -1.055 5.607 1.00 0.61 H new ATOM 0 HA ARG A 813 2.970 0.707 7.852 1.00 0.70 H new ATOM 0 HB2 ARG A 813 3.912 -2.159 7.453 1.00 0.98 H new ATOM 0 HB3 ARG A 813 3.796 -1.342 8.999 1.00 0.98 H new ATOM 0 HG2 ARG A 813 1.342 -1.079 8.667 1.00 1.09 H new ATOM 0 HG3 ARG A 813 1.466 -1.919 7.134 1.00 1.09 H new ATOM 0 HD2 ARG A 813 0.736 -3.485 8.847 1.00 1.43 H new ATOM 0 HD3 ARG A 813 2.340 -3.932 8.303 1.00 1.43 H new ATOM 0 HE ARG A 813 3.009 -2.445 10.445 1.00 2.25 H new ATOM 0 HH11 ARG A 813 0.469 -4.878 10.051 1.00 3.30 H new ATOM 0 HH12 ARG A 813 0.493 -5.341 11.756 1.00 3.30 H new ATOM 0 HH21 ARG A 813 3.041 -3.062 12.620 1.00 4.06 H new ATOM 0 HH22 ARG A 813 1.943 -4.317 13.204 1.00 4.06 H new ATOM 519 N GLY A 814 5.566 0.445 6.082 1.00 1.42 N ATOM 520 CA GLY A 814 6.910 0.955 5.920 1.00 1.49 C ATOM 521 C GLY A 814 6.913 2.465 5.755 1.00 1.28 C ATOM 522 O GLY A 814 7.517 2.993 4.821 1.00 2.06 O ATOM 0 H GLY A 814 5.104 0.180 5.212 1.00 1.42 H new ATOM 0 HA2 GLY A 814 7.512 0.681 6.786 1.00 1.49 H new ATOM 0 HA3 GLY A 814 7.374 0.491 5.050 1.00 1.49 H new ATOM 526 N SER A 815 6.193 3.150 6.651 1.00 0.54 N ATOM 527 CA SER A 815 6.124 4.612 6.664 1.00 0.73 C ATOM 528 C SER A 815 5.643 5.165 5.316 1.00 0.74 C ATOM 529 O SER A 815 6.166 6.157 4.807 1.00 1.58 O ATOM 530 CB SER A 815 7.477 5.206 7.077 1.00 1.16 C ATOM 531 OG SER A 815 7.375 6.585 7.391 1.00 1.93 O ATOM 0 H SER A 815 5.643 2.705 7.386 1.00 0.54 H new ATOM 0 HA SER A 815 5.385 4.914 7.406 1.00 0.73 H new ATOM 0 HB2 SER A 815 7.863 4.665 7.941 1.00 1.16 H new ATOM 0 HB3 SER A 815 8.195 5.070 6.269 1.00 1.16 H new ATOM 0 HG SER A 815 6.967 7.062 6.639 1.00 1.93 H new ATOM 537 N LYS A 816 4.629 4.489 4.761 1.00 0.63 N ATOM 538 CA LYS A 816 3.805 5.006 3.654 1.00 0.54 C ATOM 539 C LYS A 816 4.656 5.407 2.450 1.00 0.54 C ATOM 540 O LYS A 816 4.335 6.361 1.741 1.00 0.77 O ATOM 541 CB LYS A 816 2.976 6.214 4.108 1.00 0.68 C ATOM 542 CG LYS A 816 2.293 6.043 5.457 1.00 0.87 C ATOM 543 CD LYS A 816 1.285 4.911 5.438 1.00 1.16 C ATOM 544 CE LYS A 816 0.634 4.712 6.798 1.00 1.24 C ATOM 545 NZ LYS A 816 -0.165 5.894 7.215 1.00 1.66 N ATOM 0 H LYS A 816 4.352 3.557 5.069 1.00 0.63 H new ATOM 0 HA LYS A 816 3.139 4.197 3.354 1.00 0.54 H new ATOM 0 HB2 LYS A 816 3.626 7.088 4.153 1.00 0.68 H new ATOM 0 HB3 LYS A 816 2.216 6.420 3.354 1.00 0.68 H new ATOM 0 HG2 LYS A 816 3.044 5.848 6.223 1.00 0.87 H new ATOM 0 HG3 LYS A 816 1.792 6.971 5.731 1.00 0.87 H new ATOM 0 HD2 LYS A 816 0.516 5.121 4.694 1.00 1.16 H new ATOM 0 HD3 LYS A 816 1.780 3.989 5.133 1.00 1.16 H new ATOM 0 HE2 LYS A 816 -0.010 3.833 6.766 1.00 1.24 H new ATOM 0 HE3 LYS A 816 1.405 4.515 7.543 1.00 1.24 H new ATOM 0 HZ1 LYS A 816 -0.711 5.660 8.069 1.00 1.66 H new ATOM 0 HZ2 LYS A 816 0.473 6.690 7.419 1.00 1.66 H new ATOM 0 HZ3 LYS A 816 -0.817 6.160 6.449 1.00 1.66 H new ATOM 559 N ARG A 817 5.716 4.655 2.220 1.00 0.44 N ATOM 560 CA ARG A 817 6.689 4.955 1.176 1.00 0.44 C ATOM 561 C ARG A 817 7.199 3.665 0.554 1.00 0.33 C ATOM 562 O ARG A 817 7.558 3.637 -0.625 1.00 0.34 O ATOM 563 CB ARG A 817 7.862 5.756 1.754 1.00 0.52 C ATOM 564 CG ARG A 817 7.531 7.220 2.006 1.00 0.74 C ATOM 565 CD ARG A 817 8.648 7.931 2.751 1.00 1.10 C ATOM 566 NE ARG A 817 8.757 7.482 4.140 1.00 1.63 N ATOM 567 CZ ARG A 817 9.906 7.427 4.819 1.00 2.30 C ATOM 568 NH1 ARG A 817 11.051 7.774 4.238 1.00 2.59 N ATOM 569 NH2 ARG A 817 9.911 7.038 6.087 1.00 3.20 N ATOM 0 H ARG A 817 5.931 3.813 2.753 1.00 0.44 H new ATOM 0 HA ARG A 817 6.201 5.554 0.407 1.00 0.44 H new ATOM 0 HB2 ARG A 817 8.179 5.297 2.690 1.00 0.52 H new ATOM 0 HB3 ARG A 817 8.706 5.695 1.067 1.00 0.52 H new ATOM 0 HG2 ARG A 817 7.352 7.721 1.055 1.00 0.74 H new ATOM 0 HG3 ARG A 817 6.608 7.290 2.582 1.00 0.74 H new ATOM 0 HD2 ARG A 817 9.594 7.755 2.239 1.00 1.10 H new ATOM 0 HD3 ARG A 817 8.469 9.006 2.731 1.00 1.10 H new ATOM 0 HE ARG A 817 7.904 7.194 4.618 1.00 1.63 H new ATOM 0 HH11 ARG A 817 11.056 8.085 3.267 1.00 2.59 H new ATOM 0 HH12 ARG A 817 11.924 7.729 4.764 1.00 2.59 H new ATOM 0 HH21 ARG A 817 9.037 6.780 6.545 1.00 3.20 H new ATOM 0 HH22 ARG A 817 10.789 6.996 6.604 1.00 3.20 H new ATOM 583 N PHE A 818 7.208 2.590 1.333 1.00 0.28 N ATOM 584 CA PHE A 818 7.616 1.294 0.818 1.00 0.27 C ATOM 585 C PHE A 818 6.668 0.215 1.315 1.00 0.33 C ATOM 586 O PHE A 818 6.268 0.203 2.482 1.00 0.52 O ATOM 587 CB PHE A 818 9.060 0.976 1.211 1.00 0.25 C ATOM 588 CG PHE A 818 10.050 1.980 0.691 1.00 0.24 C ATOM 589 CD1 PHE A 818 10.548 1.880 -0.597 1.00 0.26 C ATOM 590 CD2 PHE A 818 10.491 3.014 1.499 1.00 0.36 C ATOM 591 CE1 PHE A 818 11.469 2.795 -1.070 1.00 0.32 C ATOM 592 CE2 PHE A 818 11.413 3.931 1.033 1.00 0.44 C ATOM 593 CZ PHE A 818 11.854 3.850 -0.288 1.00 0.40 C ATOM 0 H PHE A 818 6.939 2.592 2.317 1.00 0.28 H new ATOM 0 HA PHE A 818 7.570 1.324 -0.271 1.00 0.27 H new ATOM 0 HB2 PHE A 818 9.133 0.933 2.298 1.00 0.25 H new ATOM 0 HB3 PHE A 818 9.323 -0.013 0.834 1.00 0.25 H new ATOM 0 HD1 PHE A 818 10.213 1.078 -1.239 1.00 0.26 H new ATOM 0 HD2 PHE A 818 10.110 3.105 2.505 1.00 0.36 H new ATOM 0 HE1 PHE A 818 11.886 2.677 -2.059 1.00 0.32 H new ATOM 0 HE2 PHE A 818 11.789 4.704 1.686 1.00 0.44 H new ATOM 0 HZ PHE A 818 12.497 4.618 -0.692 1.00 0.40 H new ATOM 603 N CYS A 819 6.289 -0.667 0.403 1.00 0.27 N ATOM 604 CA CYS A 819 5.270 -1.659 0.673 1.00 0.31 C ATOM 605 C CYS A 819 5.813 -2.798 1.530 1.00 0.50 C ATOM 606 O CYS A 819 6.617 -3.587 1.041 1.00 1.36 O ATOM 607 CB CYS A 819 4.732 -2.206 -0.653 1.00 0.45 C ATOM 608 SG CYS A 819 5.980 -2.364 -1.960 1.00 0.47 S ATOM 0 H CYS A 819 6.679 -0.712 -0.538 1.00 0.27 H new ATOM 0 HA CYS A 819 4.464 -1.183 1.231 1.00 0.31 H new ATOM 0 HB2 CYS A 819 4.285 -3.184 -0.474 1.00 0.45 H new ATOM 0 HB3 CYS A 819 3.935 -1.551 -1.006 1.00 0.45 H new ATOM 613 N SER A 820 5.434 -2.857 2.806 1.00 0.53 N ATOM 614 CA SER A 820 5.605 -4.062 3.621 1.00 0.40 C ATOM 615 C SER A 820 6.977 -4.026 4.316 1.00 0.43 C ATOM 616 O SER A 820 7.630 -2.975 4.355 1.00 0.53 O ATOM 617 CB SER A 820 5.417 -5.353 2.796 1.00 0.61 C ATOM 618 OG SER A 820 5.478 -6.508 3.619 1.00 1.18 O ATOM 0 H SER A 820 5.003 -2.077 3.302 1.00 0.53 H new ATOM 0 HA SER A 820 4.826 -4.074 4.383 1.00 0.40 H new ATOM 0 HB2 SER A 820 4.456 -5.321 2.282 1.00 0.61 H new ATOM 0 HB3 SER A 820 6.188 -5.411 2.028 1.00 0.61 H new ATOM 0 HG SER A 820 5.111 -6.299 4.503 1.00 1.18 H new ATOM 624 N MET A 821 7.432 -5.164 4.821 1.00 0.44 N ATOM 625 CA MET A 821 8.688 -5.232 5.570 1.00 0.45 C ATOM 626 C MET A 821 9.872 -5.340 4.616 1.00 0.37 C ATOM 627 O MET A 821 10.733 -4.466 4.586 1.00 0.33 O ATOM 628 CB MET A 821 8.675 -6.444 6.509 1.00 0.61 C ATOM 629 CG MET A 821 7.589 -6.408 7.581 1.00 0.98 C ATOM 630 SD MET A 821 7.819 -5.097 8.805 1.00 1.57 S ATOM 631 CE MET A 821 6.947 -3.724 8.048 1.00 2.10 C ATOM 0 H MET A 821 6.951 -6.059 4.727 1.00 0.44 H new ATOM 0 HA MET A 821 8.788 -4.320 6.158 1.00 0.45 H new ATOM 0 HB2 MET A 821 8.548 -7.347 5.912 1.00 0.61 H new ATOM 0 HB3 MET A 821 9.647 -6.519 6.998 1.00 0.61 H new ATOM 0 HG2 MET A 821 6.620 -6.277 7.100 1.00 0.98 H new ATOM 0 HG3 MET A 821 7.564 -7.370 8.093 1.00 0.98 H new ATOM 0 HE1 MET A 821 7.656 -2.932 7.806 1.00 2.10 H new ATOM 0 HE2 MET A 821 6.456 -4.063 7.136 1.00 2.10 H new ATOM 0 HE3 MET A 821 6.199 -3.341 8.742 1.00 2.10 H new ATOM 641 N THR A 822 9.856 -6.392 3.806 1.00 0.41 N ATOM 642 CA THR A 822 10.878 -6.655 2.793 1.00 0.41 C ATOM 643 C THR A 822 11.270 -5.406 2.004 1.00 0.35 C ATOM 644 O THR A 822 12.454 -5.123 1.829 1.00 0.37 O ATOM 645 CB THR A 822 10.331 -7.697 1.801 1.00 0.53 C ATOM 646 OG1 THR A 822 9.760 -8.791 2.529 1.00 0.73 O ATOM 647 CG2 THR A 822 11.430 -8.207 0.886 1.00 0.77 C ATOM 0 H THR A 822 9.122 -7.099 3.833 1.00 0.41 H new ATOM 0 HA THR A 822 11.766 -7.011 3.314 1.00 0.41 H new ATOM 0 HB THR A 822 9.567 -7.223 1.184 1.00 0.53 H new ATOM 0 HG1 THR A 822 9.409 -9.455 1.900 1.00 0.73 H new ATOM 0 HG21 THR A 822 11.017 -8.942 0.195 1.00 0.77 H new ATOM 0 HG22 THR A 822 11.849 -7.374 0.322 1.00 0.77 H new ATOM 0 HG23 THR A 822 12.214 -8.672 1.483 1.00 0.77 H new ATOM 655 N CYS A 823 10.292 -4.658 1.545 1.00 0.33 N ATOM 656 CA CYS A 823 10.563 -3.497 0.723 1.00 0.30 C ATOM 657 C CYS A 823 11.183 -2.367 1.523 1.00 0.25 C ATOM 658 O CYS A 823 12.189 -1.784 1.104 1.00 0.30 O ATOM 659 CB CYS A 823 9.293 -3.044 0.034 1.00 0.31 C ATOM 660 SG CYS A 823 8.747 -4.196 -1.255 1.00 0.62 S ATOM 0 H CYS A 823 9.303 -4.831 1.726 1.00 0.33 H new ATOM 0 HA CYS A 823 11.293 -3.784 -0.034 1.00 0.30 H new ATOM 0 HB2 CYS A 823 8.502 -2.933 0.776 1.00 0.31 H new ATOM 0 HB3 CYS A 823 9.455 -2.061 -0.408 1.00 0.31 H new ATOM 665 N ALA A 824 10.595 -2.059 2.675 1.00 0.21 N ATOM 666 CA ALA A 824 11.108 -0.994 3.516 1.00 0.23 C ATOM 667 C ALA A 824 12.529 -1.312 3.966 1.00 0.26 C ATOM 668 O ALA A 824 13.399 -0.442 3.973 1.00 0.32 O ATOM 669 CB ALA A 824 10.200 -0.768 4.713 1.00 0.26 C ATOM 0 H ALA A 824 9.768 -2.531 3.042 1.00 0.21 H new ATOM 0 HA ALA A 824 11.130 -0.074 2.932 1.00 0.23 H new ATOM 0 HB1 ALA A 824 10.604 0.035 5.330 1.00 0.26 H new ATOM 0 HB2 ALA A 824 9.203 -0.493 4.367 1.00 0.26 H new ATOM 0 HB3 ALA A 824 10.140 -1.683 5.302 1.00 0.26 H new ATOM 675 N LYS A 825 12.761 -2.572 4.329 1.00 0.26 N ATOM 676 CA LYS A 825 14.078 -3.017 4.772 1.00 0.38 C ATOM 677 C LYS A 825 15.098 -2.974 3.646 1.00 0.41 C ATOM 678 O LYS A 825 16.284 -2.783 3.891 1.00 0.49 O ATOM 679 CB LYS A 825 14.018 -4.443 5.330 1.00 0.49 C ATOM 680 CG LYS A 825 12.988 -4.636 6.432 1.00 1.13 C ATOM 681 CD LYS A 825 13.115 -3.584 7.513 1.00 1.92 C ATOM 682 CE LYS A 825 14.485 -3.629 8.181 1.00 2.14 C ATOM 683 NZ LYS A 825 14.739 -4.936 8.853 1.00 2.60 N ATOM 0 H LYS A 825 12.051 -3.304 4.324 1.00 0.26 H new ATOM 0 HA LYS A 825 14.390 -2.328 5.557 1.00 0.38 H new ATOM 0 HB2 LYS A 825 13.795 -5.132 4.515 1.00 0.49 H new ATOM 0 HB3 LYS A 825 15.001 -4.713 5.715 1.00 0.49 H new ATOM 0 HG2 LYS A 825 11.986 -4.598 6.004 1.00 1.13 H new ATOM 0 HG3 LYS A 825 13.109 -5.626 6.872 1.00 1.13 H new ATOM 0 HD2 LYS A 825 12.952 -2.596 7.081 1.00 1.92 H new ATOM 0 HD3 LYS A 825 12.339 -3.736 8.263 1.00 1.92 H new ATOM 0 HE2 LYS A 825 15.258 -3.450 7.434 1.00 2.14 H new ATOM 0 HE3 LYS A 825 14.557 -2.825 8.914 1.00 2.14 H new ATOM 0 HZ1 LYS A 825 15.609 -4.872 9.420 1.00 2.60 H new ATOM 0 HZ2 LYS A 825 13.938 -5.169 9.474 1.00 2.60 H new ATOM 0 HZ3 LYS A 825 14.848 -5.680 8.135 1.00 2.60 H new ATOM 697 N ARG A 826 14.649 -3.169 2.415 1.00 0.39 N ATOM 698 CA ARG A 826 15.573 -3.217 1.298 1.00 0.51 C ATOM 699 C ARG A 826 16.107 -1.816 1.000 1.00 0.52 C ATOM 700 O ARG A 826 17.192 -1.647 0.444 1.00 0.65 O ATOM 701 CB ARG A 826 14.878 -3.826 0.083 1.00 0.61 C ATOM 702 CG ARG A 826 15.800 -4.148 -1.082 1.00 0.77 C ATOM 703 CD ARG A 826 15.084 -5.013 -2.108 1.00 1.19 C ATOM 704 NE ARG A 826 15.877 -5.223 -3.316 1.00 1.87 N ATOM 705 CZ ARG A 826 15.545 -6.084 -4.281 1.00 2.68 C ATOM 706 NH1 ARG A 826 14.505 -6.895 -4.131 1.00 3.04 N ATOM 707 NH2 ARG A 826 16.274 -6.161 -5.384 1.00 3.53 N ATOM 0 H ARG A 826 13.667 -3.294 2.169 1.00 0.39 H new ATOM 0 HA ARG A 826 16.425 -3.848 1.551 1.00 0.51 H new ATOM 0 HB2 ARG A 826 14.372 -4.741 0.392 1.00 0.61 H new ATOM 0 HB3 ARG A 826 14.107 -3.136 -0.261 1.00 0.61 H new ATOM 0 HG2 ARG A 826 16.139 -3.224 -1.550 1.00 0.77 H new ATOM 0 HG3 ARG A 826 16.688 -4.665 -0.718 1.00 0.77 H new ATOM 0 HD2 ARG A 826 14.846 -5.978 -1.661 1.00 1.19 H new ATOM 0 HD3 ARG A 826 14.137 -4.544 -2.376 1.00 1.19 H new ATOM 0 HE ARG A 826 16.734 -4.681 -3.429 1.00 1.87 H new ATOM 0 HH11 ARG A 826 13.953 -6.863 -3.274 1.00 3.04 H new ATOM 0 HH12 ARG A 826 14.258 -7.550 -4.873 1.00 3.04 H new ATOM 0 HH21 ARG A 826 17.091 -5.562 -5.498 1.00 3.53 H new ATOM 0 HH22 ARG A 826 16.018 -6.820 -6.120 1.00 3.53 H new ATOM 721 N TYR A 827 15.324 -0.815 1.390 1.00 0.40 N ATOM 722 CA TYR A 827 15.745 0.573 1.277 1.00 0.45 C ATOM 723 C TYR A 827 16.540 0.962 2.518 1.00 0.77 C ATOM 724 O TYR A 827 17.651 1.477 2.408 1.00 1.15 O ATOM 725 CB TYR A 827 14.539 1.496 1.084 1.00 0.43 C ATOM 726 CG TYR A 827 14.860 2.974 1.188 1.00 0.66 C ATOM 727 CD1 TYR A 827 15.420 3.658 0.115 1.00 0.86 C ATOM 728 CD2 TYR A 827 14.613 3.681 2.357 1.00 0.87 C ATOM 729 CE1 TYR A 827 15.726 5.003 0.204 1.00 1.12 C ATOM 730 CE2 TYR A 827 14.914 5.029 2.453 1.00 1.13 C ATOM 731 CZ TYR A 827 15.430 5.693 1.381 1.00 1.21 C ATOM 732 OH TYR A 827 15.780 7.026 1.466 1.00 1.49 O ATOM 0 H TYR A 827 14.393 -0.942 1.787 1.00 0.40 H new ATOM 0 HA TYR A 827 16.382 0.683 0.399 1.00 0.45 H new ATOM 0 HB2 TYR A 827 14.099 1.300 0.106 1.00 0.43 H new ATOM 0 HB3 TYR A 827 13.783 1.247 1.829 1.00 0.43 H new ATOM 0 HD1 TYR A 827 15.620 3.129 -0.805 1.00 0.86 H new ATOM 0 HD2 TYR A 827 14.179 3.172 3.205 1.00 0.87 H new ATOM 0 HE1 TYR A 827 16.189 5.514 -0.627 1.00 1.12 H new ATOM 0 HE2 TYR A 827 14.739 5.555 3.380 1.00 1.13 H new ATOM 0 HH TYR A 827 15.513 7.379 2.340 1.00 1.49 H new ATOM 742 N ASN A 828 15.939 0.685 3.684 1.00 0.87 N ATOM 743 CA ASN A 828 16.512 0.948 5.021 1.00 1.25 C ATOM 744 C ASN A 828 17.475 2.139 5.052 1.00 1.95 C ATOM 745 O ASN A 828 16.985 3.283 5.147 1.00 2.50 O ATOM 746 CB ASN A 828 17.122 -0.323 5.674 1.00 1.71 C ATOM 747 CG ASN A 828 18.427 -0.855 5.077 1.00 2.24 C ATOM 748 OD1 ASN A 828 18.642 -0.677 3.791 1.00 3.10 O flip ATOM 749 ND2 ASN A 828 19.241 -1.445 5.793 1.00 2.29 N flip ATOM 750 OXT ASN A 828 18.704 1.940 5.007 1.00 2.75 O ATOM 0 H ASN A 828 15.013 0.259 3.729 1.00 0.87 H new ATOM 0 HA ASN A 828 15.665 1.240 5.641 1.00 1.25 H new ATOM 0 HB2 ASN A 828 17.294 -0.112 6.729 1.00 1.71 H new ATOM 0 HB3 ASN A 828 16.378 -1.119 5.625 1.00 1.71 H new ATOM 0 HD21 ASN A 828 19.050 -1.569 6.787 1.00 2.29 H new ATOM 0 HD22 ASN A 828 20.105 -1.808 5.391 1.00 2.29 H new TER 757 ASN A 828 HETATM 758 ZN ZN A 829 8.202 -2.522 -2.641 1.00 0.37 ZN