USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=17 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.03 USER MOD Single : A 786 SER OG : rot -80:sc= -0.913 USER MOD Single : A 788 SER OG : rot 79:sc= 1.24 USER MOD Single : A 793 LYS NZ :NH3+ -159:sc= 1.25 (180deg=1.14) USER MOD Single : A 794 LYS NZ :NH3+ -167:sc= 1.04 (180deg=0.829) USER MOD Single : A 796 ASN : amide:sc= -0.137 K(o=-0.14,f=-4.4!) USER MOD Single : A 799 LYS NZ :NH3+ -176:sc= 1.23 (180deg=1.11) USER MOD Single : A 802 TYR OH : rot 180:sc= 0 USER MOD Single : A 805 LYS NZ :NH3+ -167:sc=-0.000999 (180deg=-0.112) USER MOD Single : A 806 TYR OH : rot 180:sc= 0 USER MOD Single : A 811 GLN :FLIP amide:sc= -1.22 F(o=-3.2,f=-1.2) USER MOD Single : A 815 SER OG : rot 180:sc= 0 USER MOD Single : A 816 LYS NZ :NH3+ -178:sc= 0.879 (180deg=0.876) USER MOD Single : A 819 CYS SG : rot 59:sc= -3.81! USER MOD Single : A 820 SER OG : rot 180:sc= 0.122 USER MOD Single : A 821 MET CE :methyl -122:sc= 0 (180deg=-0.988) USER MOD Single : A 822 THR OG1 : rot 180:sc= 0.00896 USER MOD Single : A 825 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 827 TYR OH : rot 180:sc= 0 USER MOD Single : A 828 ASN : amide:sc= 0.914 K(o=0.91,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.015 -5.629 -8.206 1.00 12.46 N ATOM 2 CA GLY A 1 -16.851 -4.410 -7.379 1.00 11.79 C ATOM 3 C GLY A 1 -15.428 -3.898 -7.423 1.00 10.99 C ATOM 4 O GLY A 1 -14.670 -4.061 -6.466 1.00 10.97 O ATOM 0 H1 GLY A 1 -18.002 -5.954 -8.154 1.00 12.46 H new ATOM 0 H2 GLY A 1 -16.773 -5.413 -9.194 1.00 12.46 H new ATOM 0 H3 GLY A 1 -16.385 -6.377 -7.851 1.00 12.46 H new ATOM 0 HA2 GLY A 1 -17.529 -3.634 -7.734 1.00 11.79 H new ATOM 0 HA3 GLY A 1 -17.129 -4.628 -6.348 1.00 11.79 H new ATOM 10 N THR A 2 -15.064 -3.281 -8.535 1.00 10.53 N ATOM 11 CA THR A 2 -13.700 -2.833 -8.742 1.00 9.94 C ATOM 12 C THR A 2 -13.531 -1.378 -8.295 1.00 9.34 C ATOM 13 O THR A 2 -14.508 -0.692 -7.984 1.00 9.37 O ATOM 14 CB THR A 2 -13.291 -2.991 -10.226 1.00 10.31 C ATOM 15 OG1 THR A 2 -11.871 -2.844 -10.369 1.00 10.84 O ATOM 16 CG2 THR A 2 -14.007 -1.973 -11.108 1.00 10.05 C ATOM 0 H THR A 2 -15.697 -3.079 -9.309 1.00 10.53 H new ATOM 0 HA THR A 2 -13.045 -3.457 -8.135 1.00 9.94 H new ATOM 0 HB THR A 2 -13.584 -3.990 -10.548 1.00 10.31 H new ATOM 0 HG1 THR A 2 -11.625 -2.948 -11.312 1.00 10.84 H new ATOM 0 HG21 THR A 2 -13.699 -2.109 -12.145 1.00 10.05 H new ATOM 0 HG22 THR A 2 -15.085 -2.116 -11.028 1.00 10.05 H new ATOM 0 HG23 THR A 2 -13.750 -0.965 -10.783 1.00 10.05 H new ATOM 24 N ARG A 3 -12.288 -0.924 -8.249 1.00 9.06 N ATOM 25 CA ARG A 3 -11.975 0.429 -7.810 1.00 8.71 C ATOM 26 C ARG A 3 -11.712 1.324 -9.013 1.00 7.87 C ATOM 27 O ARG A 3 -10.755 1.111 -9.759 1.00 7.62 O ATOM 28 CB ARG A 3 -10.762 0.413 -6.879 1.00 9.23 C ATOM 29 CG ARG A 3 -10.989 -0.388 -5.608 1.00 9.75 C ATOM 30 CD ARG A 3 -9.711 -0.540 -4.802 1.00 10.61 C ATOM 31 NE ARG A 3 -8.697 -1.315 -5.520 1.00 11.26 N ATOM 32 CZ ARG A 3 -7.627 -1.861 -4.943 1.00 12.04 C ATOM 33 NH1 ARG A 3 -7.417 -1.720 -3.641 1.00 12.27 N ATOM 34 NH2 ARG A 3 -6.767 -2.559 -5.672 1.00 12.75 N ATOM 0 H ARG A 3 -11.473 -1.477 -8.513 1.00 9.06 H new ATOM 0 HA ARG A 3 -12.828 0.828 -7.262 1.00 8.71 H new ATOM 0 HB2 ARG A 3 -9.908 -0.002 -7.414 1.00 9.23 H new ATOM 0 HB3 ARG A 3 -10.504 1.438 -6.613 1.00 9.23 H new ATOM 0 HG2 ARG A 3 -11.747 0.104 -4.999 1.00 9.75 H new ATOM 0 HG3 ARG A 3 -11.377 -1.374 -5.864 1.00 9.75 H new ATOM 0 HD2 ARG A 3 -9.313 0.447 -4.565 1.00 10.61 H new ATOM 0 HD3 ARG A 3 -9.936 -1.029 -3.854 1.00 10.61 H new ATOM 0 HE ARG A 3 -8.817 -1.445 -6.525 1.00 11.26 H new ATOM 0 HH11 ARG A 3 -8.077 -1.190 -3.072 1.00 12.27 H new ATOM 0 HH12 ARG A 3 -6.595 -2.142 -3.208 1.00 12.27 H new ATOM 0 HH21 ARG A 3 -6.925 -2.677 -6.673 1.00 12.75 H new ATOM 0 HH22 ARG A 3 -5.947 -2.978 -5.232 1.00 12.75 H new ATOM 48 N GLY A 783 -12.562 2.322 -9.194 1.00 7.73 N ATOM 49 CA GLY A 783 -12.461 3.190 -10.352 1.00 7.29 C ATOM 50 C GLY A 783 -13.737 3.176 -11.165 1.00 7.97 C ATOM 51 O GLY A 783 -13.707 3.083 -12.393 1.00 8.50 O ATOM 0 H GLY A 783 -13.325 2.549 -8.557 1.00 7.73 H new ATOM 0 HA2 GLY A 783 -12.245 4.208 -10.028 1.00 7.29 H new ATOM 0 HA3 GLY A 783 -11.626 2.871 -10.976 1.00 7.29 H new ATOM 55 N VAL A 784 -14.865 3.262 -10.472 1.00 8.24 N ATOM 56 CA VAL A 784 -16.171 3.196 -11.115 1.00 9.12 C ATOM 57 C VAL A 784 -16.750 4.592 -11.307 1.00 9.30 C ATOM 58 O VAL A 784 -17.115 4.981 -12.415 1.00 9.84 O ATOM 59 CB VAL A 784 -17.162 2.342 -10.294 1.00 9.81 C ATOM 60 CG1 VAL A 784 -18.519 2.282 -10.977 1.00 10.40 C ATOM 61 CG2 VAL A 784 -16.610 0.939 -10.072 1.00 10.02 C ATOM 0 H VAL A 784 -14.901 3.378 -9.459 1.00 8.24 H new ATOM 0 HA VAL A 784 -16.027 2.726 -12.088 1.00 9.12 H new ATOM 0 HB VAL A 784 -17.292 2.816 -9.321 1.00 9.81 H new ATOM 0 HG11 VAL A 784 -19.200 1.675 -10.380 1.00 10.40 H new ATOM 0 HG12 VAL A 784 -18.922 3.290 -11.075 1.00 10.40 H new ATOM 0 HG13 VAL A 784 -18.409 1.838 -11.966 1.00 10.40 H new ATOM 0 HG21 VAL A 784 -17.324 0.355 -9.492 1.00 10.02 H new ATOM 0 HG22 VAL A 784 -16.444 0.457 -11.035 1.00 10.02 H new ATOM 0 HG23 VAL A 784 -15.666 1.001 -9.530 1.00 10.02 H new ATOM 71 N ASP A 785 -16.827 5.346 -10.218 1.00 9.09 N ATOM 72 CA ASP A 785 -17.332 6.714 -10.264 1.00 9.49 C ATOM 73 C ASP A 785 -16.235 7.648 -10.752 1.00 9.26 C ATOM 74 O ASP A 785 -16.458 8.835 -10.979 1.00 9.79 O ATOM 75 CB ASP A 785 -17.809 7.151 -8.876 1.00 10.33 C ATOM 76 CG ASP A 785 -16.669 7.312 -7.889 1.00 10.81 C ATOM 77 OD1 ASP A 785 -16.082 6.287 -7.480 1.00 11.27 O ATOM 78 OD2 ASP A 785 -16.359 8.462 -7.512 1.00 10.90 O ATOM 0 H ASP A 785 -16.545 5.033 -9.289 1.00 9.09 H new ATOM 0 HA ASP A 785 -18.176 6.757 -10.953 1.00 9.49 H new ATOM 0 HB2 ASP A 785 -18.346 8.096 -8.962 1.00 10.33 H new ATOM 0 HB3 ASP A 785 -18.516 6.416 -8.491 1.00 10.33 H new ATOM 83 N SER A 786 -15.054 7.081 -10.910 1.00 8.72 N ATOM 84 CA SER A 786 -13.881 7.808 -11.345 1.00 8.72 C ATOM 85 C SER A 786 -13.970 8.164 -12.827 1.00 8.95 C ATOM 86 O SER A 786 -14.500 7.395 -13.630 1.00 8.78 O ATOM 87 CB SER A 786 -12.666 6.931 -11.089 1.00 8.32 C ATOM 88 OG SER A 786 -12.706 6.393 -9.777 1.00 8.40 O ATOM 0 H SER A 786 -14.882 6.091 -10.737 1.00 8.72 H new ATOM 0 HA SER A 786 -13.804 8.743 -10.791 1.00 8.72 H new ATOM 0 HB2 SER A 786 -12.634 6.122 -11.819 1.00 8.32 H new ATOM 0 HB3 SER A 786 -11.755 7.515 -11.221 1.00 8.32 H new ATOM 0 HG SER A 786 -12.396 7.067 -9.137 1.00 8.40 H new ATOM 94 N PRO A 787 -13.455 9.345 -13.204 1.00 9.62 N ATOM 95 CA PRO A 787 -13.439 9.798 -14.596 1.00 10.14 C ATOM 96 C PRO A 787 -12.350 9.114 -15.413 1.00 9.98 C ATOM 97 O PRO A 787 -12.366 9.155 -16.644 1.00 10.54 O ATOM 98 CB PRO A 787 -13.144 11.291 -14.474 1.00 11.09 C ATOM 99 CG PRO A 787 -12.343 11.407 -13.227 1.00 11.09 C ATOM 100 CD PRO A 787 -12.854 10.339 -12.296 1.00 10.19 C ATOM 0 HA PRO A 787 -14.372 9.570 -15.111 1.00 10.14 H new ATOM 0 HB2 PRO A 787 -12.590 11.659 -15.338 1.00 11.09 H new ATOM 0 HB3 PRO A 787 -14.063 11.874 -14.412 1.00 11.09 H new ATOM 0 HG2 PRO A 787 -11.282 11.269 -13.432 1.00 11.09 H new ATOM 0 HG3 PRO A 787 -12.455 12.396 -12.783 1.00 11.09 H new ATOM 0 HD2 PRO A 787 -12.049 9.905 -11.703 1.00 10.19 H new ATOM 0 HD3 PRO A 787 -13.588 10.736 -11.595 1.00 10.19 H new ATOM 108 N SER A 788 -11.396 8.506 -14.718 1.00 9.44 N ATOM 109 CA SER A 788 -10.317 7.782 -15.369 1.00 9.46 C ATOM 110 C SER A 788 -10.466 6.290 -15.101 1.00 8.59 C ATOM 111 O SER A 788 -11.226 5.899 -14.214 1.00 8.05 O ATOM 112 CB SER A 788 -8.967 8.268 -14.845 1.00 9.78 C ATOM 113 OG SER A 788 -8.990 9.664 -14.592 1.00 10.45 O ATOM 0 H SER A 788 -11.350 8.502 -13.699 1.00 9.44 H new ATOM 0 HA SER A 788 -10.365 7.963 -16.443 1.00 9.46 H new ATOM 0 HB2 SER A 788 -8.715 7.733 -13.929 1.00 9.78 H new ATOM 0 HB3 SER A 788 -8.188 8.040 -15.572 1.00 9.78 H new ATOM 0 HG SER A 788 -9.441 9.834 -13.739 1.00 10.45 H new ATOM 119 N ALA A 789 -9.759 5.462 -15.858 1.00 8.70 N ATOM 120 CA ALA A 789 -9.819 4.020 -15.659 1.00 8.24 C ATOM 121 C ALA A 789 -9.082 3.603 -14.384 1.00 7.43 C ATOM 122 O ALA A 789 -9.704 3.354 -13.353 1.00 7.05 O ATOM 123 CB ALA A 789 -9.269 3.281 -16.873 1.00 9.07 C ATOM 0 H ALA A 789 -9.140 5.762 -16.612 1.00 8.70 H new ATOM 0 HA ALA A 789 -10.867 3.744 -15.540 1.00 8.24 H new ATOM 0 HB1 ALA A 789 -9.324 2.206 -16.701 1.00 9.07 H new ATOM 0 HB2 ALA A 789 -9.858 3.538 -17.753 1.00 9.07 H new ATOM 0 HB3 ALA A 789 -8.230 3.569 -17.035 1.00 9.07 H new ATOM 129 N GLU A 790 -7.754 3.545 -14.446 1.00 7.41 N ATOM 130 CA GLU A 790 -6.963 3.120 -13.297 1.00 6.85 C ATOM 131 C GLU A 790 -6.258 4.286 -12.627 1.00 6.15 C ATOM 132 O GLU A 790 -5.587 4.110 -11.610 1.00 5.57 O ATOM 133 CB GLU A 790 -5.926 2.079 -13.709 1.00 7.52 C ATOM 134 CG GLU A 790 -6.522 0.724 -14.044 1.00 8.34 C ATOM 135 CD GLU A 790 -5.466 -0.332 -14.284 1.00 8.89 C ATOM 136 OE1 GLU A 790 -5.002 -0.945 -13.299 1.00 9.04 O ATOM 137 OE2 GLU A 790 -5.102 -0.560 -15.456 1.00 9.34 O ATOM 0 H GLU A 790 -7.208 3.785 -15.273 1.00 7.41 H new ATOM 0 HA GLU A 790 -7.660 2.683 -12.582 1.00 6.85 H new ATOM 0 HB2 GLU A 790 -5.377 2.449 -14.575 1.00 7.52 H new ATOM 0 HB3 GLU A 790 -5.204 1.959 -12.901 1.00 7.52 H new ATOM 0 HG2 GLU A 790 -7.171 0.405 -13.228 1.00 8.34 H new ATOM 0 HG3 GLU A 790 -7.147 0.816 -14.932 1.00 8.34 H new ATOM 144 N LEU A 791 -6.413 5.479 -13.176 1.00 6.47 N ATOM 145 CA LEU A 791 -5.718 6.638 -12.634 1.00 6.23 C ATOM 146 C LEU A 791 -6.403 7.135 -11.376 1.00 5.59 C ATOM 147 O LEU A 791 -5.843 7.903 -10.600 1.00 5.63 O ATOM 148 CB LEU A 791 -5.604 7.769 -13.665 1.00 7.19 C ATOM 149 CG LEU A 791 -4.667 7.500 -14.849 1.00 8.14 C ATOM 150 CD1 LEU A 791 -3.333 6.951 -14.359 1.00 8.67 C ATOM 151 CD2 LEU A 791 -5.310 6.549 -15.850 1.00 8.68 C ATOM 0 H LEU A 791 -7.004 5.671 -13.985 1.00 6.47 H new ATOM 0 HA LEU A 791 -4.707 6.320 -12.380 1.00 6.23 H new ATOM 0 HB2 LEU A 791 -6.599 7.982 -14.055 1.00 7.19 H new ATOM 0 HB3 LEU A 791 -5.263 8.669 -13.153 1.00 7.19 H new ATOM 0 HG LEU A 791 -4.483 8.446 -15.359 1.00 8.14 H new ATOM 0 HD11 LEU A 791 -2.680 6.766 -15.212 1.00 8.67 H new ATOM 0 HD12 LEU A 791 -2.864 7.676 -13.694 1.00 8.67 H new ATOM 0 HD13 LEU A 791 -3.499 6.018 -13.820 1.00 8.67 H new ATOM 0 HD21 LEU A 791 -4.624 6.375 -16.679 1.00 8.68 H new ATOM 0 HD22 LEU A 791 -5.534 5.602 -15.360 1.00 8.68 H new ATOM 0 HD23 LEU A 791 -6.233 6.989 -16.228 1.00 8.68 H new ATOM 163 N ASP A 792 -7.606 6.655 -11.172 1.00 5.35 N ATOM 164 CA ASP A 792 -8.369 6.974 -9.977 1.00 5.15 C ATOM 165 C ASP A 792 -8.647 5.699 -9.207 1.00 4.42 C ATOM 166 O ASP A 792 -9.515 5.651 -8.336 1.00 4.59 O ATOM 167 CB ASP A 792 -9.683 7.674 -10.322 1.00 5.99 C ATOM 168 CG ASP A 792 -9.496 9.068 -10.882 1.00 6.61 C ATOM 169 OD1 ASP A 792 -9.125 9.981 -10.114 1.00 6.86 O ATOM 170 OD2 ASP A 792 -9.704 9.254 -12.099 1.00 7.10 O ATOM 0 H ASP A 792 -8.087 6.034 -11.823 1.00 5.35 H new ATOM 0 HA ASP A 792 -7.781 7.658 -9.365 1.00 5.15 H new ATOM 0 HB2 ASP A 792 -10.228 7.070 -11.047 1.00 5.99 H new ATOM 0 HB3 ASP A 792 -10.301 7.731 -9.426 1.00 5.99 H new ATOM 175 N LYS A 793 -7.883 4.664 -9.539 1.00 4.10 N ATOM 176 CA LYS A 793 -8.000 3.377 -8.879 1.00 4.01 C ATOM 177 C LYS A 793 -7.459 3.481 -7.457 1.00 3.58 C ATOM 178 O LYS A 793 -7.835 2.716 -6.569 1.00 4.03 O ATOM 179 CB LYS A 793 -7.231 2.314 -9.671 1.00 4.28 C ATOM 180 CG LYS A 793 -7.229 0.933 -9.034 1.00 4.61 C ATOM 181 CD LYS A 793 -6.422 -0.063 -9.857 1.00 5.21 C ATOM 182 CE LYS A 793 -4.978 0.384 -10.018 1.00 5.75 C ATOM 183 NZ LYS A 793 -4.172 -0.602 -10.782 1.00 6.30 N ATOM 0 H LYS A 793 -7.171 4.697 -10.269 1.00 4.10 H new ATOM 0 HA LYS A 793 -9.049 3.084 -8.835 1.00 4.01 H new ATOM 0 HB2 LYS A 793 -7.663 2.239 -10.669 1.00 4.28 H new ATOM 0 HB3 LYS A 793 -6.200 2.645 -9.794 1.00 4.28 H new ATOM 0 HG2 LYS A 793 -6.813 0.996 -8.028 1.00 4.61 H new ATOM 0 HG3 LYS A 793 -8.254 0.577 -8.933 1.00 4.61 H new ATOM 0 HD2 LYS A 793 -6.449 -1.040 -9.375 1.00 5.21 H new ATOM 0 HD3 LYS A 793 -6.879 -0.179 -10.840 1.00 5.21 H new ATOM 0 HE2 LYS A 793 -4.951 1.347 -10.528 1.00 5.75 H new ATOM 0 HE3 LYS A 793 -4.532 0.532 -9.034 1.00 5.75 H new ATOM 0 HZ1 LYS A 793 -3.163 -0.460 -10.575 1.00 6.30 H new ATOM 0 HZ2 LYS A 793 -4.450 -1.566 -10.506 1.00 6.30 H new ATOM 0 HZ3 LYS A 793 -4.338 -0.472 -11.800 1.00 6.30 H new ATOM 197 N LYS A 794 -6.580 4.454 -7.247 1.00 3.13 N ATOM 198 CA LYS A 794 -6.031 4.705 -5.931 1.00 2.87 C ATOM 199 C LYS A 794 -7.052 5.418 -5.048 1.00 2.23 C ATOM 200 O LYS A 794 -7.075 6.646 -4.957 1.00 2.88 O ATOM 201 CB LYS A 794 -4.713 5.499 -6.015 1.00 3.43 C ATOM 202 CG LYS A 794 -4.779 6.767 -6.861 1.00 4.13 C ATOM 203 CD LYS A 794 -3.436 7.488 -6.873 1.00 4.94 C ATOM 204 CE LYS A 794 -3.484 8.799 -7.649 1.00 5.82 C ATOM 205 NZ LYS A 794 -3.747 8.589 -9.096 1.00 6.55 N ATOM 0 H LYS A 794 -6.235 5.079 -7.975 1.00 3.13 H new ATOM 0 HA LYS A 794 -5.802 3.743 -5.473 1.00 2.87 H new ATOM 0 HB2 LYS A 794 -4.404 5.769 -5.005 1.00 3.43 H new ATOM 0 HB3 LYS A 794 -3.939 4.848 -6.422 1.00 3.43 H new ATOM 0 HG2 LYS A 794 -5.068 6.513 -7.881 1.00 4.13 H new ATOM 0 HG3 LYS A 794 -5.549 7.431 -6.467 1.00 4.13 H new ATOM 0 HD2 LYS A 794 -3.125 7.688 -5.847 1.00 4.94 H new ATOM 0 HD3 LYS A 794 -2.681 6.836 -7.313 1.00 4.94 H new ATOM 0 HE2 LYS A 794 -4.261 9.438 -7.230 1.00 5.82 H new ATOM 0 HE3 LYS A 794 -2.538 9.326 -7.527 1.00 5.82 H new ATOM 0 HZ1 LYS A 794 -3.555 9.469 -9.615 1.00 6.55 H new ATOM 0 HZ2 LYS A 794 -3.129 7.833 -9.455 1.00 6.55 H new ATOM 0 HZ3 LYS A 794 -4.742 8.317 -9.232 1.00 6.55 H new ATOM 219 N ALA A 795 -7.912 4.630 -4.413 1.00 1.46 N ATOM 220 CA ALA A 795 -8.888 5.166 -3.477 1.00 1.19 C ATOM 221 C ALA A 795 -8.169 5.652 -2.235 1.00 0.93 C ATOM 222 O ALA A 795 -8.624 6.552 -1.527 1.00 1.48 O ATOM 223 CB ALA A 795 -9.930 4.113 -3.129 1.00 1.56 C ATOM 0 H ALA A 795 -7.952 3.618 -4.531 1.00 1.46 H new ATOM 0 HA ALA A 795 -9.411 6.005 -3.936 1.00 1.19 H new ATOM 0 HB1 ALA A 795 -10.651 4.533 -2.428 1.00 1.56 H new ATOM 0 HB2 ALA A 795 -10.446 3.798 -4.036 1.00 1.56 H new ATOM 0 HB3 ALA A 795 -9.440 3.253 -2.674 1.00 1.56 H new ATOM 229 N ASN A 796 -7.033 5.028 -1.997 1.00 0.66 N ATOM 230 CA ASN A 796 -6.135 5.401 -0.923 1.00 0.56 C ATOM 231 C ASN A 796 -4.760 4.807 -1.202 1.00 0.43 C ATOM 232 O ASN A 796 -3.961 4.600 -0.289 1.00 0.44 O ATOM 233 CB ASN A 796 -6.665 4.906 0.433 1.00 0.75 C ATOM 234 CG ASN A 796 -6.664 3.390 0.570 1.00 0.93 C ATOM 235 OD1 ASN A 796 -5.684 2.795 1.010 1.00 1.68 O ATOM 236 ND2 ASN A 796 -7.769 2.756 0.208 1.00 1.01 N ATOM 0 H ASN A 796 -6.703 4.238 -2.551 1.00 0.66 H new ATOM 0 HA ASN A 796 -6.065 6.488 -0.875 1.00 0.56 H new ATOM 0 HB2 ASN A 796 -6.057 5.335 1.230 1.00 0.75 H new ATOM 0 HB3 ASN A 796 -7.681 5.275 0.573 1.00 0.75 H new ATOM 0 HD21 ASN A 796 -7.825 1.741 0.291 1.00 1.01 H new ATOM 0 HD22 ASN A 796 -8.564 3.283 -0.153 1.00 1.01 H new ATOM 243 N LEU A 797 -4.473 4.543 -2.477 1.00 0.40 N ATOM 244 CA LEU A 797 -3.284 3.804 -2.838 1.00 0.32 C ATOM 245 C LEU A 797 -2.131 4.756 -3.117 1.00 0.30 C ATOM 246 O LEU A 797 -2.325 5.870 -3.610 1.00 0.38 O ATOM 247 CB LEU A 797 -3.524 2.943 -4.087 1.00 0.38 C ATOM 248 CG LEU A 797 -4.827 2.136 -4.125 1.00 0.44 C ATOM 249 CD1 LEU A 797 -4.925 1.363 -5.431 1.00 0.55 C ATOM 250 CD2 LEU A 797 -4.916 1.181 -2.949 1.00 0.45 C ATOM 0 H LEU A 797 -5.050 4.832 -3.267 1.00 0.40 H new ATOM 0 HA LEU A 797 -3.036 3.156 -1.998 1.00 0.32 H new ATOM 0 HB2 LEU A 797 -3.502 3.596 -4.960 1.00 0.38 H new ATOM 0 HB3 LEU A 797 -2.690 2.248 -4.187 1.00 0.38 H new ATOM 0 HG LEU A 797 -5.660 2.836 -4.057 1.00 0.44 H new ATOM 0 HD11 LEU A 797 -5.854 0.793 -5.448 1.00 0.55 H new ATOM 0 HD12 LEU A 797 -4.912 2.061 -6.269 1.00 0.55 H new ATOM 0 HD13 LEU A 797 -4.079 0.680 -5.514 1.00 0.55 H new ATOM 0 HD21 LEU A 797 -5.851 0.623 -3.003 1.00 0.45 H new ATOM 0 HD22 LEU A 797 -4.076 0.487 -2.980 1.00 0.45 H new ATOM 0 HD23 LEU A 797 -4.885 1.747 -2.018 1.00 0.45 H new ATOM 262 N LEU A 798 -0.949 4.292 -2.809 1.00 0.23 N ATOM 263 CA LEU A 798 0.297 4.958 -3.153 1.00 0.23 C ATOM 264 C LEU A 798 1.281 3.849 -3.410 1.00 0.21 C ATOM 265 O LEU A 798 0.900 2.680 -3.295 1.00 0.43 O ATOM 266 CB LEU A 798 0.761 5.883 -2.030 1.00 0.31 C ATOM 267 CG LEU A 798 1.430 5.188 -0.856 1.00 0.39 C ATOM 268 CD1 LEU A 798 2.934 5.345 -0.949 1.00 1.30 C ATOM 269 CD2 LEU A 798 0.907 5.741 0.446 1.00 1.31 C ATOM 0 H LEU A 798 -0.814 3.419 -2.299 1.00 0.23 H new ATOM 0 HA LEU A 798 0.187 5.601 -4.027 1.00 0.23 H new ATOM 0 HB2 LEU A 798 1.457 6.612 -2.445 1.00 0.31 H new ATOM 0 HB3 LEU A 798 -0.100 6.440 -1.660 1.00 0.31 H new ATOM 0 HG LEU A 798 1.194 4.124 -0.890 1.00 0.39 H new ATOM 0 HD11 LEU A 798 3.405 4.844 -0.103 1.00 1.30 H new ATOM 0 HD12 LEU A 798 3.289 4.900 -1.878 1.00 1.30 H new ATOM 0 HD13 LEU A 798 3.191 6.404 -0.932 1.00 1.30 H new ATOM 0 HD21 LEU A 798 1.395 5.234 1.279 1.00 1.31 H new ATOM 0 HD22 LEU A 798 1.117 6.809 0.498 1.00 1.31 H new ATOM 0 HD23 LEU A 798 -0.169 5.580 0.504 1.00 1.31 H new ATOM 281 N LYS A 799 2.518 4.137 -3.770 1.00 0.27 N ATOM 282 CA LYS A 799 3.341 3.028 -4.177 1.00 0.25 C ATOM 283 C LYS A 799 4.786 3.130 -3.726 1.00 0.23 C ATOM 284 O LYS A 799 5.365 4.206 -3.580 1.00 0.28 O ATOM 285 CB LYS A 799 3.259 2.870 -5.684 1.00 0.27 C ATOM 286 CG LYS A 799 4.157 3.858 -6.422 1.00 0.32 C ATOM 287 CD LYS A 799 3.981 3.794 -7.924 1.00 1.11 C ATOM 288 CE LYS A 799 5.039 4.616 -8.646 1.00 1.03 C ATOM 289 NZ LYS A 799 5.100 6.019 -8.152 1.00 1.78 N ATOM 0 H LYS A 799 2.947 5.062 -3.789 1.00 0.27 H new ATOM 0 HA LYS A 799 2.947 2.143 -3.678 1.00 0.25 H new ATOM 0 HB2 LYS A 799 3.542 1.853 -5.956 1.00 0.27 H new ATOM 0 HB3 LYS A 799 2.227 3.011 -6.006 1.00 0.27 H new ATOM 0 HG2 LYS A 799 3.939 4.869 -6.077 1.00 0.32 H new ATOM 0 HG3 LYS A 799 5.198 3.653 -6.173 1.00 0.32 H new ATOM 0 HD2 LYS A 799 4.037 2.757 -8.254 1.00 1.11 H new ATOM 0 HD3 LYS A 799 2.990 4.160 -8.191 1.00 1.11 H new ATOM 0 HE2 LYS A 799 6.013 4.145 -8.516 1.00 1.03 H new ATOM 0 HE3 LYS A 799 4.827 4.619 -9.715 1.00 1.03 H new ATOM 0 HZ1 LYS A 799 5.786 6.557 -8.719 1.00 1.78 H new ATOM 0 HZ2 LYS A 799 4.161 6.458 -8.237 1.00 1.78 H new ATOM 0 HZ3 LYS A 799 5.395 6.023 -7.155 1.00 1.78 H new ATOM 303 N CYS A 800 5.304 1.940 -3.467 1.00 0.21 N ATOM 304 CA CYS A 800 6.681 1.683 -3.121 1.00 0.23 C ATOM 305 C CYS A 800 7.631 2.304 -4.130 1.00 0.21 C ATOM 306 O CYS A 800 7.806 1.763 -5.211 1.00 0.25 O ATOM 307 CB CYS A 800 6.795 0.163 -3.152 1.00 0.30 C ATOM 308 SG CYS A 800 8.384 -0.593 -2.768 1.00 0.28 S ATOM 0 H CYS A 800 4.742 1.089 -3.496 1.00 0.21 H new ATOM 0 HA CYS A 800 6.947 2.112 -2.155 1.00 0.23 H new ATOM 0 HB2 CYS A 800 6.061 -0.238 -2.453 1.00 0.30 H new ATOM 0 HB3 CYS A 800 6.502 -0.170 -4.148 1.00 0.30 H new ATOM 313 N GLU A 801 8.240 3.428 -3.791 1.00 0.22 N ATOM 314 CA GLU A 801 9.176 4.102 -4.692 1.00 0.27 C ATOM 315 C GLU A 801 10.468 3.306 -4.918 1.00 0.27 C ATOM 316 O GLU A 801 11.482 3.854 -5.355 1.00 0.36 O ATOM 317 CB GLU A 801 9.485 5.509 -4.185 1.00 0.42 C ATOM 318 CG GLU A 801 8.303 6.454 -4.316 1.00 1.31 C ATOM 319 CD GLU A 801 7.748 6.486 -5.728 1.00 1.87 C ATOM 320 OE1 GLU A 801 8.538 6.635 -6.686 1.00 2.31 O ATOM 321 OE2 GLU A 801 6.516 6.358 -5.890 1.00 2.42 O ATOM 0 H GLU A 801 8.106 3.899 -2.896 1.00 0.22 H new ATOM 0 HA GLU A 801 8.685 4.172 -5.663 1.00 0.27 H new ATOM 0 HB2 GLU A 801 9.787 5.455 -3.139 1.00 0.42 H new ATOM 0 HB3 GLU A 801 10.331 5.913 -4.741 1.00 0.42 H new ATOM 0 HG2 GLU A 801 7.517 6.148 -3.625 1.00 1.31 H new ATOM 0 HG3 GLU A 801 8.609 7.459 -4.025 1.00 1.31 H new ATOM 328 N TYR A 802 10.422 2.018 -4.630 1.00 0.24 N ATOM 329 CA TYR A 802 11.508 1.120 -4.968 1.00 0.28 C ATOM 330 C TYR A 802 11.102 0.257 -6.164 1.00 0.28 C ATOM 331 O TYR A 802 11.879 0.069 -7.097 1.00 0.51 O ATOM 332 CB TYR A 802 11.890 0.237 -3.771 1.00 0.31 C ATOM 333 CG TYR A 802 13.135 -0.585 -4.003 1.00 0.42 C ATOM 334 CD1 TYR A 802 14.399 -0.050 -3.781 1.00 0.53 C ATOM 335 CD2 TYR A 802 13.045 -1.899 -4.445 1.00 0.53 C ATOM 336 CE1 TYR A 802 15.537 -0.801 -3.993 1.00 0.67 C ATOM 337 CE2 TYR A 802 14.180 -2.656 -4.660 1.00 0.67 C ATOM 338 CZ TYR A 802 15.430 -2.091 -4.429 1.00 0.72 C ATOM 339 OH TYR A 802 16.552 -2.854 -4.649 1.00 0.87 O ATOM 0 H TYR A 802 9.637 1.569 -4.159 1.00 0.24 H new ATOM 0 HA TYR A 802 12.383 1.714 -5.232 1.00 0.28 H new ATOM 0 HB2 TYR A 802 12.039 0.869 -2.896 1.00 0.31 H new ATOM 0 HB3 TYR A 802 11.060 -0.432 -3.543 1.00 0.31 H new ATOM 0 HD1 TYR A 802 14.492 0.970 -3.437 1.00 0.53 H new ATOM 0 HD2 TYR A 802 12.073 -2.335 -4.623 1.00 0.53 H new ATOM 0 HE1 TYR A 802 16.511 -0.369 -3.814 1.00 0.67 H new ATOM 0 HE2 TYR A 802 14.098 -3.676 -5.004 1.00 0.67 H new ATOM 0 HH TYR A 802 16.286 -3.746 -4.955 1.00 0.87 H new ATOM 349 N CYS A 803 9.874 -0.256 -6.131 1.00 0.28 N ATOM 350 CA CYS A 803 9.370 -1.126 -7.194 1.00 0.26 C ATOM 351 C CYS A 803 8.218 -0.488 -7.973 1.00 0.22 C ATOM 352 O CYS A 803 8.001 -0.816 -9.139 1.00 0.25 O ATOM 353 CB CYS A 803 8.932 -2.462 -6.601 1.00 0.29 C ATOM 354 SG CYS A 803 7.727 -2.303 -5.252 1.00 0.29 S ATOM 0 H CYS A 803 9.207 -0.084 -5.378 1.00 0.28 H new ATOM 0 HA CYS A 803 10.183 -1.285 -7.902 1.00 0.26 H new ATOM 0 HB2 CYS A 803 8.500 -3.076 -7.391 1.00 0.29 H new ATOM 0 HB3 CYS A 803 9.811 -2.990 -6.231 1.00 0.29 H new ATOM 359 N GLY A 804 7.474 0.400 -7.343 1.00 0.22 N ATOM 360 CA GLY A 804 6.454 1.138 -8.059 1.00 0.24 C ATOM 361 C GLY A 804 5.108 0.455 -8.008 1.00 0.23 C ATOM 362 O GLY A 804 4.228 0.742 -8.817 1.00 0.27 O ATOM 0 H GLY A 804 7.555 0.625 -6.351 1.00 0.22 H new ATOM 0 HA2 GLY A 804 6.367 2.138 -7.635 1.00 0.24 H new ATOM 0 HA3 GLY A 804 6.758 1.258 -9.099 1.00 0.24 H new ATOM 366 N LYS A 805 4.947 -0.463 -7.071 1.00 0.22 N ATOM 367 CA LYS A 805 3.710 -1.213 -6.961 1.00 0.26 C ATOM 368 C LYS A 805 2.709 -0.457 -6.097 1.00 0.20 C ATOM 369 O LYS A 805 3.045 -0.019 -4.994 1.00 0.21 O ATOM 370 CB LYS A 805 3.990 -2.607 -6.398 1.00 0.39 C ATOM 371 CG LYS A 805 4.930 -3.421 -7.274 1.00 0.96 C ATOM 372 CD LYS A 805 4.317 -3.695 -8.637 1.00 1.57 C ATOM 373 CE LYS A 805 5.339 -4.261 -9.612 1.00 2.01 C ATOM 374 NZ LYS A 805 6.330 -3.234 -10.036 1.00 2.31 N ATOM 0 H LYS A 805 5.655 -0.706 -6.378 1.00 0.22 H new ATOM 0 HA LYS A 805 3.273 -1.330 -7.953 1.00 0.26 H new ATOM 0 HB2 LYS A 805 4.422 -2.511 -5.402 1.00 0.39 H new ATOM 0 HB3 LYS A 805 3.048 -3.144 -6.287 1.00 0.39 H new ATOM 0 HG2 LYS A 805 5.871 -2.885 -7.397 1.00 0.96 H new ATOM 0 HG3 LYS A 805 5.163 -4.365 -6.781 1.00 0.96 H new ATOM 0 HD2 LYS A 805 3.490 -4.397 -8.529 1.00 1.57 H new ATOM 0 HD3 LYS A 805 3.901 -2.772 -9.041 1.00 1.57 H new ATOM 0 HE2 LYS A 805 5.860 -5.098 -9.147 1.00 2.01 H new ATOM 0 HE3 LYS A 805 4.825 -4.654 -10.489 1.00 2.01 H new ATOM 0 HZ1 LYS A 805 6.867 -3.586 -10.854 1.00 2.31 H new ATOM 0 HZ2 LYS A 805 5.833 -2.359 -10.299 1.00 2.31 H new ATOM 0 HZ3 LYS A 805 6.984 -3.038 -9.251 1.00 2.31 H new ATOM 388 N TYR A 806 1.484 -0.323 -6.591 1.00 0.18 N ATOM 389 CA TYR A 806 0.454 0.459 -5.918 1.00 0.18 C ATOM 390 C TYR A 806 -0.303 -0.414 -4.940 1.00 0.21 C ATOM 391 O TYR A 806 -0.636 -1.563 -5.242 1.00 0.26 O ATOM 392 CB TYR A 806 -0.533 1.059 -6.921 1.00 0.23 C ATOM 393 CG TYR A 806 0.081 2.012 -7.918 1.00 0.34 C ATOM 394 CD1 TYR A 806 0.897 1.544 -8.939 1.00 0.50 C ATOM 395 CD2 TYR A 806 -0.143 3.380 -7.833 1.00 0.49 C ATOM 396 CE1 TYR A 806 1.476 2.412 -9.846 1.00 0.69 C ATOM 397 CE2 TYR A 806 0.428 4.253 -8.736 1.00 0.66 C ATOM 398 CZ TYR A 806 1.186 3.769 -9.768 1.00 0.72 C ATOM 399 OH TYR A 806 1.805 4.637 -10.644 1.00 0.93 O ATOM 0 H TYR A 806 1.178 -0.751 -7.465 1.00 0.18 H new ATOM 0 HA TYR A 806 0.949 1.272 -5.387 1.00 0.18 H new ATOM 0 HB2 TYR A 806 -1.016 0.247 -7.465 1.00 0.23 H new ATOM 0 HB3 TYR A 806 -1.315 1.584 -6.371 1.00 0.23 H new ATOM 0 HD1 TYR A 806 1.083 0.484 -9.026 1.00 0.50 H new ATOM 0 HD2 TYR A 806 -0.775 3.767 -7.047 1.00 0.49 H new ATOM 0 HE1 TYR A 806 2.146 2.040 -10.607 1.00 0.69 H new ATOM 0 HE2 TYR A 806 0.277 5.317 -8.629 1.00 0.66 H new ATOM 0 HH TYR A 806 1.501 5.552 -10.468 1.00 0.93 H new ATOM 409 N ALA A 807 -0.570 0.143 -3.772 1.00 0.22 N ATOM 410 CA ALA A 807 -1.221 -0.588 -2.707 1.00 0.26 C ATOM 411 C ALA A 807 -1.829 0.383 -1.708 1.00 0.24 C ATOM 412 O ALA A 807 -1.470 1.563 -1.696 1.00 0.24 O ATOM 413 CB ALA A 807 -0.209 -1.498 -2.037 1.00 0.31 C ATOM 0 H ALA A 807 -0.342 1.109 -3.539 1.00 0.22 H new ATOM 0 HA ALA A 807 -2.026 -1.199 -3.114 1.00 0.26 H new ATOM 0 HB1 ALA A 807 -0.694 -2.052 -1.233 1.00 0.31 H new ATOM 0 HB2 ALA A 807 0.192 -2.198 -2.770 1.00 0.31 H new ATOM 0 HB3 ALA A 807 0.603 -0.899 -1.626 1.00 0.31 H new ATOM 419 N PRO A 808 -2.766 -0.084 -0.871 1.00 0.25 N ATOM 420 CA PRO A 808 -3.443 0.770 0.103 1.00 0.24 C ATOM 421 C PRO A 808 -2.476 1.274 1.165 1.00 0.22 C ATOM 422 O PRO A 808 -1.728 0.492 1.758 1.00 0.24 O ATOM 423 CB PRO A 808 -4.494 -0.148 0.737 1.00 0.28 C ATOM 424 CG PRO A 808 -4.594 -1.327 -0.171 1.00 0.57 C ATOM 425 CD PRO A 808 -3.241 -1.475 -0.795 1.00 0.32 C ATOM 0 HA PRO A 808 -3.873 1.658 -0.361 1.00 0.24 H new ATOM 0 HB2 PRO A 808 -4.196 -0.450 1.741 1.00 0.28 H new ATOM 0 HB3 PRO A 808 -5.454 0.359 0.828 1.00 0.28 H new ATOM 0 HG2 PRO A 808 -4.870 -2.225 0.382 1.00 0.57 H new ATOM 0 HG3 PRO A 808 -5.360 -1.172 -0.930 1.00 0.57 H new ATOM 0 HD2 PRO A 808 -2.581 -2.096 -0.189 1.00 0.32 H new ATOM 0 HD3 PRO A 808 -3.298 -1.938 -1.780 1.00 0.32 H new ATOM 433 N ALA A 809 -2.487 2.593 1.364 1.00 0.22 N ATOM 434 CA ALA A 809 -1.614 3.279 2.324 1.00 0.24 C ATOM 435 C ALA A 809 -1.493 2.557 3.673 1.00 0.24 C ATOM 436 O ALA A 809 -0.470 2.663 4.348 1.00 0.29 O ATOM 437 CB ALA A 809 -2.123 4.692 2.551 1.00 0.28 C ATOM 0 H ALA A 809 -3.109 3.224 0.858 1.00 0.22 H new ATOM 0 HA ALA A 809 -0.616 3.288 1.885 1.00 0.24 H new ATOM 0 HB1 ALA A 809 -1.475 5.202 3.264 1.00 0.28 H new ATOM 0 HB2 ALA A 809 -2.122 5.235 1.606 1.00 0.28 H new ATOM 0 HB3 ALA A 809 -3.138 4.654 2.946 1.00 0.28 H new ATOM 443 N GLU A 810 -2.548 1.843 4.052 1.00 0.23 N ATOM 444 CA GLU A 810 -2.615 1.130 5.330 1.00 0.25 C ATOM 445 C GLU A 810 -1.474 0.121 5.499 1.00 0.26 C ATOM 446 O GLU A 810 -0.923 -0.015 6.593 1.00 0.34 O ATOM 447 CB GLU A 810 -3.969 0.419 5.444 1.00 0.31 C ATOM 448 CG GLU A 810 -4.203 -0.266 6.782 1.00 1.25 C ATOM 449 CD GLU A 810 -4.070 0.676 7.961 1.00 2.13 C ATOM 450 OE1 GLU A 810 -4.666 1.775 7.924 1.00 2.64 O ATOM 451 OE2 GLU A 810 -3.362 0.324 8.929 1.00 2.86 O ATOM 0 H GLU A 810 -3.387 1.740 3.481 1.00 0.23 H new ATOM 0 HA GLU A 810 -2.508 1.866 6.127 1.00 0.25 H new ATOM 0 HB2 GLU A 810 -4.764 1.146 5.277 1.00 0.31 H new ATOM 0 HB3 GLU A 810 -4.045 -0.324 4.650 1.00 0.31 H new ATOM 0 HG2 GLU A 810 -5.199 -0.708 6.788 1.00 1.25 H new ATOM 0 HG3 GLU A 810 -3.491 -1.083 6.895 1.00 1.25 H new ATOM 458 N GLN A 811 -1.113 -0.570 4.425 1.00 0.30 N ATOM 459 CA GLN A 811 -0.080 -1.594 4.499 1.00 0.39 C ATOM 460 C GLN A 811 1.308 -0.969 4.581 1.00 0.40 C ATOM 461 O GLN A 811 2.273 -1.637 4.962 1.00 0.54 O ATOM 462 CB GLN A 811 -0.148 -2.531 3.296 1.00 0.55 C ATOM 463 CG GLN A 811 0.310 -1.909 1.998 1.00 0.79 C ATOM 464 CD GLN A 811 0.584 -2.952 0.946 1.00 0.76 C ATOM 465 OE1 GLN A 811 1.540 -2.672 0.090 1.00 1.28 O flip ATOM 466 NE2 GLN A 811 -0.046 -4.004 0.912 1.00 0.80 N flip ATOM 0 H GLN A 811 -1.518 -0.441 3.498 1.00 0.30 H new ATOM 0 HA GLN A 811 -0.261 -2.171 5.406 1.00 0.39 H new ATOM 0 HB2 GLN A 811 0.463 -3.410 3.500 1.00 0.55 H new ATOM 0 HB3 GLN A 811 -1.175 -2.877 3.177 1.00 0.55 H new ATOM 0 HG2 GLN A 811 -0.452 -1.219 1.636 1.00 0.79 H new ATOM 0 HG3 GLN A 811 1.212 -1.323 2.174 1.00 0.79 H new ATOM 0 HE21 GLN A 811 -0.781 -4.181 1.597 1.00 0.80 H new ATOM 0 HE22 GLN A 811 0.165 -4.702 0.199 1.00 0.80 H new ATOM 475 N PHE A 812 1.417 0.300 4.191 1.00 0.41 N ATOM 476 CA PHE A 812 2.668 1.043 4.324 1.00 0.45 C ATOM 477 C PHE A 812 3.010 1.335 5.786 1.00 0.50 C ATOM 478 O PHE A 812 3.069 2.486 6.220 1.00 0.50 O ATOM 479 CB PHE A 812 2.580 2.343 3.525 1.00 0.43 C ATOM 480 CG PHE A 812 2.558 2.119 2.040 1.00 0.41 C ATOM 481 CD1 PHE A 812 1.383 1.781 1.389 1.00 0.42 C ATOM 482 CD2 PHE A 812 3.718 2.235 1.295 1.00 0.53 C ATOM 483 CE1 PHE A 812 1.366 1.563 0.026 1.00 0.46 C ATOM 484 CE2 PHE A 812 3.709 2.021 -0.070 1.00 0.54 C ATOM 485 CZ PHE A 812 2.530 1.683 -0.704 1.00 0.46 C ATOM 0 H PHE A 812 0.652 0.835 3.780 1.00 0.41 H new ATOM 0 HA PHE A 812 3.471 0.423 3.926 1.00 0.45 H new ATOM 0 HB2 PHE A 812 1.680 2.883 3.819 1.00 0.43 H new ATOM 0 HB3 PHE A 812 3.430 2.977 3.779 1.00 0.43 H new ATOM 0 HD1 PHE A 812 0.468 1.687 1.955 1.00 0.42 H new ATOM 0 HD2 PHE A 812 4.643 2.496 1.787 1.00 0.53 H new ATOM 0 HE1 PHE A 812 0.443 1.299 -0.468 1.00 0.46 H new ATOM 0 HE2 PHE A 812 4.622 2.118 -0.639 1.00 0.54 H new ATOM 0 HZ PHE A 812 2.519 1.513 -1.770 1.00 0.46 H new ATOM 495 N ARG A 813 3.220 0.267 6.532 1.00 0.61 N ATOM 496 CA ARG A 813 3.663 0.337 7.915 1.00 0.70 C ATOM 497 C ARG A 813 5.147 0.666 7.979 1.00 0.61 C ATOM 498 O ARG A 813 5.620 1.269 8.942 1.00 1.07 O ATOM 499 CB ARG A 813 3.383 -1.002 8.595 1.00 0.98 C ATOM 500 CG ARG A 813 1.903 -1.331 8.627 1.00 1.09 C ATOM 501 CD ARG A 813 1.641 -2.761 9.060 1.00 1.43 C ATOM 502 NE ARG A 813 0.207 -3.024 9.178 1.00 2.25 N ATOM 503 CZ ARG A 813 -0.359 -4.212 8.975 1.00 3.06 C ATOM 504 NH1 ARG A 813 0.375 -5.249 8.583 1.00 3.30 N ATOM 505 NH2 ARG A 813 -1.669 -4.358 9.139 1.00 4.06 N ATOM 0 H ARG A 813 3.087 -0.686 6.192 1.00 0.61 H new ATOM 0 HA ARG A 813 3.119 1.127 8.433 1.00 0.70 H new ATOM 0 HB2 ARG A 813 3.918 -1.793 8.069 1.00 0.98 H new ATOM 0 HB3 ARG A 813 3.770 -0.978 9.614 1.00 0.98 H new ATOM 0 HG2 ARG A 813 1.396 -0.648 9.309 1.00 1.09 H new ATOM 0 HG3 ARG A 813 1.475 -1.169 7.638 1.00 1.09 H new ATOM 0 HD2 ARG A 813 2.081 -3.449 8.338 1.00 1.43 H new ATOM 0 HD3 ARG A 813 2.128 -2.949 10.017 1.00 1.43 H new ATOM 0 HE ARG A 813 -0.400 -2.245 9.433 1.00 2.25 H new ATOM 0 HH11 ARG A 813 1.378 -5.137 8.436 1.00 3.30 H new ATOM 0 HH12 ARG A 813 -0.065 -6.156 8.429 1.00 3.30 H new ATOM 0 HH21 ARG A 813 -2.240 -3.561 9.420 1.00 4.06 H new ATOM 0 HH22 ARG A 813 -2.104 -5.267 8.984 1.00 4.06 H new ATOM 519 N GLY A 814 5.874 0.290 6.935 1.00 1.42 N ATOM 520 CA GLY A 814 7.271 0.664 6.830 1.00 1.49 C ATOM 521 C GLY A 814 7.435 1.981 6.097 1.00 1.28 C ATOM 522 O GLY A 814 8.215 2.074 5.150 1.00 2.06 O ATOM 0 H GLY A 814 5.521 -0.268 6.158 1.00 1.42 H new ATOM 0 HA2 GLY A 814 7.704 0.744 7.827 1.00 1.49 H new ATOM 0 HA3 GLY A 814 7.821 -0.118 6.305 1.00 1.49 H new ATOM 526 N SER A 815 6.686 2.992 6.555 1.00 0.54 N ATOM 527 CA SER A 815 6.630 4.312 5.919 1.00 0.73 C ATOM 528 C SER A 815 5.834 4.262 4.615 1.00 0.74 C ATOM 529 O SER A 815 5.898 3.284 3.865 1.00 1.58 O ATOM 530 CB SER A 815 8.037 4.870 5.671 1.00 1.16 C ATOM 531 OG SER A 815 8.782 4.941 6.878 1.00 1.93 O ATOM 0 H SER A 815 6.097 2.915 7.384 1.00 0.54 H new ATOM 0 HA SER A 815 6.116 4.985 6.606 1.00 0.73 H new ATOM 0 HB2 SER A 815 8.561 4.238 4.954 1.00 1.16 H new ATOM 0 HB3 SER A 815 7.964 5.863 5.227 1.00 1.16 H new ATOM 0 HG SER A 815 9.675 5.298 6.691 1.00 1.93 H new ATOM 537 N LYS A 816 5.070 5.319 4.353 1.00 0.63 N ATOM 538 CA LYS A 816 4.282 5.425 3.131 1.00 0.54 C ATOM 539 C LYS A 816 5.189 5.784 1.961 1.00 0.54 C ATOM 540 O LYS A 816 5.016 6.814 1.311 1.00 0.77 O ATOM 541 CB LYS A 816 3.180 6.479 3.286 1.00 0.68 C ATOM 542 CG LYS A 816 1.916 5.976 3.981 1.00 0.87 C ATOM 543 CD LYS A 816 2.187 5.492 5.397 1.00 1.16 C ATOM 544 CE LYS A 816 0.929 4.939 6.049 1.00 1.24 C ATOM 545 NZ LYS A 816 1.217 4.318 7.370 1.00 1.66 N ATOM 0 H LYS A 816 4.981 6.120 4.978 1.00 0.63 H new ATOM 0 HA LYS A 816 3.810 4.462 2.937 1.00 0.54 H new ATOM 0 HB2 LYS A 816 3.578 7.323 3.850 1.00 0.68 H new ATOM 0 HB3 LYS A 816 2.912 6.854 2.298 1.00 0.68 H new ATOM 0 HG2 LYS A 816 1.177 6.777 4.009 1.00 0.87 H new ATOM 0 HG3 LYS A 816 1.483 5.163 3.398 1.00 0.87 H new ATOM 0 HD2 LYS A 816 2.957 4.721 5.378 1.00 1.16 H new ATOM 0 HD3 LYS A 816 2.576 6.316 5.996 1.00 1.16 H new ATOM 0 HE2 LYS A 816 0.203 5.742 6.176 1.00 1.24 H new ATOM 0 HE3 LYS A 816 0.474 4.199 5.391 1.00 1.24 H new ATOM 0 HZ1 LYS A 816 0.340 3.923 7.766 1.00 1.66 H new ATOM 0 HZ2 LYS A 816 1.916 3.558 7.251 1.00 1.66 H new ATOM 0 HZ3 LYS A 816 1.596 5.039 8.017 1.00 1.66 H new ATOM 559 N ARG A 817 6.158 4.922 1.708 1.00 0.44 N ATOM 560 CA ARG A 817 7.202 5.161 0.722 1.00 0.44 C ATOM 561 C ARG A 817 7.585 3.840 0.072 1.00 0.33 C ATOM 562 O ARG A 817 7.949 3.797 -1.101 1.00 0.34 O ATOM 563 CB ARG A 817 8.436 5.777 1.397 1.00 0.52 C ATOM 564 CG ARG A 817 8.175 7.127 2.052 1.00 0.74 C ATOM 565 CD ARG A 817 9.360 7.590 2.885 1.00 1.10 C ATOM 566 NE ARG A 817 10.555 7.826 2.078 1.00 1.63 N ATOM 567 CZ ARG A 817 11.769 8.013 2.587 1.00 2.30 C ATOM 568 NH1 ARG A 817 11.956 7.984 3.903 1.00 2.59 N ATOM 569 NH2 ARG A 817 12.797 8.233 1.780 1.00 3.20 N ATOM 0 H ARG A 817 6.245 4.025 2.186 1.00 0.44 H new ATOM 0 HA ARG A 817 6.831 5.853 -0.034 1.00 0.44 H new ATOM 0 HB2 ARG A 817 8.808 5.084 2.152 1.00 0.52 H new ATOM 0 HB3 ARG A 817 9.225 5.892 0.653 1.00 0.52 H new ATOM 0 HG2 ARG A 817 7.960 7.869 1.283 1.00 0.74 H new ATOM 0 HG3 ARG A 817 7.290 7.059 2.685 1.00 0.74 H new ATOM 0 HD2 ARG A 817 9.094 8.507 3.411 1.00 1.10 H new ATOM 0 HD3 ARG A 817 9.581 6.840 3.644 1.00 1.10 H new ATOM 0 HE ARG A 817 10.452 7.849 1.063 1.00 1.63 H new ATOM 0 HH11 ARG A 817 11.166 7.818 4.527 1.00 2.59 H new ATOM 0 HH12 ARG A 817 12.889 8.128 4.289 1.00 2.59 H new ATOM 0 HH21 ARG A 817 12.656 8.259 0.770 1.00 3.20 H new ATOM 0 HH22 ARG A 817 13.729 8.377 2.169 1.00 3.20 H new ATOM 583 N PHE A 818 7.496 2.763 0.847 1.00 0.28 N ATOM 584 CA PHE A 818 7.782 1.415 0.361 1.00 0.27 C ATOM 585 C PHE A 818 6.753 0.465 0.953 1.00 0.33 C ATOM 586 O PHE A 818 6.437 0.570 2.139 1.00 0.52 O ATOM 587 CB PHE A 818 9.187 0.987 0.785 1.00 0.25 C ATOM 588 CG PHE A 818 10.255 1.971 0.394 1.00 0.24 C ATOM 589 CD1 PHE A 818 10.713 2.034 -0.912 1.00 0.26 C ATOM 590 CD2 PHE A 818 10.784 2.848 1.328 1.00 0.36 C ATOM 591 CE1 PHE A 818 11.681 2.949 -1.278 1.00 0.32 C ATOM 592 CE2 PHE A 818 11.750 3.768 0.965 1.00 0.44 C ATOM 593 CZ PHE A 818 12.197 3.818 -0.339 1.00 0.40 C ATOM 0 H PHE A 818 7.224 2.799 1.829 1.00 0.28 H new ATOM 0 HA PHE A 818 7.731 1.396 -0.728 1.00 0.27 H new ATOM 0 HB2 PHE A 818 9.207 0.852 1.866 1.00 0.25 H new ATOM 0 HB3 PHE A 818 9.414 0.019 0.338 1.00 0.25 H new ATOM 0 HD1 PHE A 818 10.309 1.360 -1.653 1.00 0.26 H new ATOM 0 HD2 PHE A 818 10.438 2.812 2.350 1.00 0.36 H new ATOM 0 HE1 PHE A 818 12.034 2.984 -2.298 1.00 0.32 H new ATOM 0 HE2 PHE A 818 12.154 4.447 1.701 1.00 0.44 H new ATOM 0 HZ PHE A 818 12.950 4.537 -0.625 1.00 0.40 H new ATOM 603 N CYS A 819 6.208 -0.442 0.154 1.00 0.27 N ATOM 604 CA CYS A 819 5.079 -1.218 0.615 1.00 0.31 C ATOM 605 C CYS A 819 5.483 -2.274 1.649 1.00 0.50 C ATOM 606 O CYS A 819 6.057 -3.307 1.302 1.00 1.36 O ATOM 607 CB CYS A 819 4.366 -1.859 -0.577 1.00 0.45 C ATOM 608 SG CYS A 819 5.430 -2.303 -1.971 1.00 0.47 S ATOM 0 H CYS A 819 6.524 -0.651 -0.793 1.00 0.27 H new ATOM 0 HA CYS A 819 4.391 -0.539 1.118 1.00 0.31 H new ATOM 0 HB2 CYS A 819 3.854 -2.757 -0.232 1.00 0.45 H new ATOM 0 HB3 CYS A 819 3.599 -1.171 -0.932 1.00 0.45 H new ATOM 0 HG CYS A 819 6.345 -3.135 -1.571 1.00 0.47 H new ATOM 613 N SER A 820 5.215 -1.972 2.920 1.00 0.53 N ATOM 614 CA SER A 820 5.178 -2.968 3.993 1.00 0.40 C ATOM 615 C SER A 820 6.583 -3.169 4.579 1.00 0.43 C ATOM 616 O SER A 820 7.391 -2.235 4.595 1.00 0.53 O ATOM 617 CB SER A 820 4.582 -4.297 3.510 1.00 0.61 C ATOM 618 OG SER A 820 4.143 -5.088 4.602 1.00 1.18 O ATOM 0 H SER A 820 5.016 -1.023 3.237 1.00 0.53 H new ATOM 0 HA SER A 820 4.525 -2.593 4.781 1.00 0.40 H new ATOM 0 HB2 SER A 820 3.745 -4.101 2.840 1.00 0.61 H new ATOM 0 HB3 SER A 820 5.328 -4.846 2.936 1.00 0.61 H new ATOM 0 HG SER A 820 3.766 -5.928 4.267 1.00 1.18 H new ATOM 624 N MET A 821 6.881 -4.381 5.031 1.00 0.44 N ATOM 625 CA MET A 821 8.123 -4.652 5.749 1.00 0.45 C ATOM 626 C MET A 821 9.282 -4.942 4.797 1.00 0.37 C ATOM 627 O MET A 821 10.278 -4.229 4.788 1.00 0.33 O ATOM 628 CB MET A 821 7.937 -5.840 6.691 1.00 0.61 C ATOM 629 CG MET A 821 9.225 -6.233 7.386 1.00 0.98 C ATOM 630 SD MET A 821 9.901 -4.888 8.381 1.00 1.57 S ATOM 631 CE MET A 821 11.587 -5.444 8.608 1.00 2.10 C ATOM 0 H MET A 821 6.278 -5.195 4.913 1.00 0.44 H new ATOM 0 HA MET A 821 8.368 -3.756 6.320 1.00 0.45 H new ATOM 0 HB2 MET A 821 7.184 -5.592 7.440 1.00 0.61 H new ATOM 0 HB3 MET A 821 7.557 -6.692 6.127 1.00 0.61 H new ATOM 0 HG2 MET A 821 9.042 -7.098 8.024 1.00 0.98 H new ATOM 0 HG3 MET A 821 9.960 -6.536 6.641 1.00 0.98 H new ATOM 0 HE1 MET A 821 11.802 -5.530 9.673 1.00 2.10 H new ATOM 0 HE2 MET A 821 11.717 -6.416 8.132 1.00 2.10 H new ATOM 0 HE3 MET A 821 12.271 -4.725 8.157 1.00 2.10 H new ATOM 641 N THR A 822 9.133 -6.003 4.014 1.00 0.41 N ATOM 642 CA THR A 822 10.114 -6.410 3.010 1.00 0.41 C ATOM 643 C THR A 822 10.619 -5.236 2.168 1.00 0.35 C ATOM 644 O THR A 822 11.823 -5.114 1.940 1.00 0.37 O ATOM 645 CB THR A 822 9.491 -7.471 2.081 1.00 0.53 C ATOM 646 OG1 THR A 822 8.920 -8.523 2.875 1.00 0.73 O ATOM 647 CG2 THR A 822 10.535 -8.055 1.139 1.00 0.77 C ATOM 0 H THR A 822 8.318 -6.614 4.057 1.00 0.41 H new ATOM 0 HA THR A 822 10.970 -6.821 3.545 1.00 0.41 H new ATOM 0 HB THR A 822 8.717 -6.993 1.481 1.00 0.53 H new ATOM 0 HG1 THR A 822 8.522 -9.198 2.286 1.00 0.73 H new ATOM 0 HG21 THR A 822 10.068 -8.800 0.495 1.00 0.77 H new ATOM 0 HG22 THR A 822 10.957 -7.259 0.525 1.00 0.77 H new ATOM 0 HG23 THR A 822 11.328 -8.524 1.721 1.00 0.77 H new ATOM 655 N CYS A 823 9.727 -4.376 1.720 1.00 0.33 N ATOM 656 CA CYS A 823 10.135 -3.233 0.919 1.00 0.30 C ATOM 657 C CYS A 823 10.885 -2.186 1.733 1.00 0.25 C ATOM 658 O CYS A 823 11.882 -1.635 1.260 1.00 0.30 O ATOM 659 CB CYS A 823 8.944 -2.630 0.210 1.00 0.31 C ATOM 660 SG CYS A 823 8.395 -3.649 -1.171 1.00 0.62 S ATOM 0 H CYS A 823 8.724 -4.442 1.893 1.00 0.33 H new ATOM 0 HA CYS A 823 10.837 -3.598 0.169 1.00 0.30 H new ATOM 0 HB2 CYS A 823 8.125 -2.507 0.918 1.00 0.31 H new ATOM 0 HB3 CYS A 823 9.203 -1.636 -0.154 1.00 0.31 H new ATOM 665 N ALA A 824 10.419 -1.907 2.947 1.00 0.21 N ATOM 666 CA ALA A 824 11.130 -0.985 3.825 1.00 0.23 C ATOM 667 C ALA A 824 12.516 -1.524 4.132 1.00 0.26 C ATOM 668 O ALA A 824 13.505 -0.791 4.122 1.00 0.32 O ATOM 669 CB ALA A 824 10.354 -0.749 5.108 1.00 0.26 C ATOM 0 H ALA A 824 9.564 -2.300 3.341 1.00 0.21 H new ATOM 0 HA ALA A 824 11.229 -0.028 3.313 1.00 0.23 H new ATOM 0 HB1 ALA A 824 10.906 -0.058 5.745 1.00 0.26 H new ATOM 0 HB2 ALA A 824 9.379 -0.324 4.870 1.00 0.26 H new ATOM 0 HB3 ALA A 824 10.219 -1.696 5.631 1.00 0.26 H new ATOM 675 N LYS A 825 12.571 -2.819 4.401 1.00 0.26 N ATOM 676 CA LYS A 825 13.821 -3.512 4.643 1.00 0.38 C ATOM 677 C LYS A 825 14.723 -3.443 3.413 1.00 0.41 C ATOM 678 O LYS A 825 15.934 -3.300 3.522 1.00 0.49 O ATOM 679 CB LYS A 825 13.505 -4.972 5.015 1.00 0.49 C ATOM 680 CG LYS A 825 14.718 -5.874 5.208 1.00 1.13 C ATOM 681 CD LYS A 825 15.171 -6.494 3.894 1.00 1.92 C ATOM 682 CE LYS A 825 16.385 -7.385 4.074 1.00 2.14 C ATOM 683 NZ LYS A 825 16.801 -8.012 2.791 1.00 2.60 N ATOM 0 H LYS A 825 11.747 -3.418 4.457 1.00 0.26 H new ATOM 0 HA LYS A 825 14.356 -3.035 5.464 1.00 0.38 H new ATOM 0 HB2 LYS A 825 12.920 -4.976 5.935 1.00 0.49 H new ATOM 0 HB3 LYS A 825 12.876 -5.400 4.235 1.00 0.49 H new ATOM 0 HG2 LYS A 825 15.536 -5.297 5.640 1.00 1.13 H new ATOM 0 HG3 LYS A 825 14.475 -6.664 5.919 1.00 1.13 H new ATOM 0 HD2 LYS A 825 14.354 -7.076 3.467 1.00 1.92 H new ATOM 0 HD3 LYS A 825 15.405 -5.703 3.181 1.00 1.92 H new ATOM 0 HE2 LYS A 825 17.211 -6.798 4.477 1.00 2.14 H new ATOM 0 HE3 LYS A 825 16.161 -8.163 4.804 1.00 2.14 H new ATOM 0 HZ1 LYS A 825 17.634 -8.614 2.953 1.00 2.60 H new ATOM 0 HZ2 LYS A 825 16.022 -8.592 2.419 1.00 2.60 H new ATOM 0 HZ3 LYS A 825 17.039 -7.269 2.103 1.00 2.60 H new ATOM 697 N ARG A 826 14.109 -3.528 2.239 1.00 0.39 N ATOM 698 CA ARG A 826 14.851 -3.618 0.992 1.00 0.51 C ATOM 699 C ARG A 826 15.651 -2.349 0.732 1.00 0.52 C ATOM 700 O ARG A 826 16.742 -2.401 0.169 1.00 0.65 O ATOM 701 CB ARG A 826 13.885 -3.875 -0.169 1.00 0.61 C ATOM 702 CG ARG A 826 14.575 -4.133 -1.501 1.00 0.77 C ATOM 703 CD ARG A 826 15.469 -5.366 -1.446 1.00 1.19 C ATOM 704 NE ARG A 826 16.150 -5.604 -2.717 1.00 1.87 N ATOM 705 CZ ARG A 826 17.454 -5.846 -2.826 1.00 2.68 C ATOM 706 NH1 ARG A 826 18.207 -5.954 -1.737 1.00 3.04 N ATOM 707 NH2 ARG A 826 18.003 -6.000 -4.024 1.00 3.53 N ATOM 0 H ARG A 826 13.095 -3.536 2.127 1.00 0.39 H new ATOM 0 HA ARG A 826 15.553 -4.448 1.073 1.00 0.51 H new ATOM 0 HB2 ARG A 826 13.258 -4.732 0.076 1.00 0.61 H new ATOM 0 HB3 ARG A 826 13.223 -3.016 -0.275 1.00 0.61 H new ATOM 0 HG2 ARG A 826 13.824 -4.263 -2.280 1.00 0.77 H new ATOM 0 HG3 ARG A 826 15.172 -3.263 -1.776 1.00 0.77 H new ATOM 0 HD2 ARG A 826 16.209 -5.242 -0.655 1.00 1.19 H new ATOM 0 HD3 ARG A 826 14.869 -6.238 -1.187 1.00 1.19 H new ATOM 0 HE ARG A 826 15.593 -5.583 -3.571 1.00 1.87 H new ATOM 0 HH11 ARG A 826 17.786 -5.851 -0.814 1.00 3.04 H new ATOM 0 HH12 ARG A 826 19.206 -6.140 -1.824 1.00 3.04 H new ATOM 0 HH21 ARG A 826 17.425 -5.933 -4.862 1.00 3.53 H new ATOM 0 HH22 ARG A 826 19.003 -6.185 -4.107 1.00 3.53 H new ATOM 721 N TYR A 827 15.114 -1.209 1.147 1.00 0.40 N ATOM 722 CA TYR A 827 15.785 0.060 0.909 1.00 0.45 C ATOM 723 C TYR A 827 16.714 0.425 2.072 1.00 0.77 C ATOM 724 O TYR A 827 17.011 1.595 2.306 1.00 1.15 O ATOM 725 CB TYR A 827 14.765 1.173 0.628 1.00 0.43 C ATOM 726 CG TYR A 827 15.371 2.425 0.027 1.00 0.66 C ATOM 727 CD1 TYR A 827 15.885 2.425 -1.266 1.00 0.86 C ATOM 728 CD2 TYR A 827 15.426 3.608 0.754 1.00 0.87 C ATOM 729 CE1 TYR A 827 16.436 3.566 -1.814 1.00 1.12 C ATOM 730 CE2 TYR A 827 15.975 4.754 0.212 1.00 1.13 C ATOM 731 CZ TYR A 827 16.489 4.719 -1.080 1.00 1.21 C ATOM 732 OH TYR A 827 17.026 5.865 -1.619 1.00 1.49 O ATOM 0 H TYR A 827 14.226 -1.137 1.644 1.00 0.40 H new ATOM 0 HA TYR A 827 16.408 -0.049 0.021 1.00 0.45 H new ATOM 0 HB2 TYR A 827 14.001 0.790 -0.049 1.00 0.43 H new ATOM 0 HB3 TYR A 827 14.263 1.435 1.559 1.00 0.43 H new ATOM 0 HD1 TYR A 827 15.852 1.517 -1.851 1.00 0.86 H new ATOM 0 HD2 TYR A 827 15.033 3.632 1.760 1.00 0.87 H new ATOM 0 HE1 TYR A 827 16.825 3.548 -2.821 1.00 1.12 H new ATOM 0 HE2 TYR A 827 16.005 5.668 0.786 1.00 1.13 H new ATOM 0 HH TYR A 827 16.982 6.588 -0.959 1.00 1.49 H new ATOM 742 N ASN A 828 17.169 -0.574 2.809 1.00 0.87 N ATOM 743 CA ASN A 828 18.126 -0.335 3.881 1.00 1.25 C ATOM 744 C ASN A 828 19.524 -0.162 3.288 1.00 1.95 C ATOM 745 O ASN A 828 19.918 -0.979 2.427 1.00 2.50 O ATOM 746 CB ASN A 828 18.098 -1.469 4.922 1.00 1.71 C ATOM 747 CG ASN A 828 19.015 -2.629 4.581 1.00 2.24 C ATOM 748 OD1 ASN A 828 20.151 -2.694 5.052 1.00 3.10 O ATOM 749 ND2 ASN A 828 18.532 -3.550 3.766 1.00 2.29 N ATOM 750 OXT ASN A 828 20.216 0.808 3.656 1.00 2.75 O ATOM 0 H ASN A 828 16.896 -1.549 2.689 1.00 0.87 H new ATOM 0 HA ASN A 828 17.847 0.581 4.402 1.00 1.25 H new ATOM 0 HB2 ASN A 828 18.382 -1.066 5.894 1.00 1.71 H new ATOM 0 HB3 ASN A 828 17.077 -1.839 5.016 1.00 1.71 H new ATOM 0 HD21 ASN A 828 19.106 -4.352 3.505 1.00 2.29 H new ATOM 0 HD22 ASN A 828 17.585 -3.459 3.397 1.00 2.29 H new TER 757 ASN A 828 HETATM 758 ZN ZN A 829 8.073 -2.872 -3.147 1.00 0.37 ZN