USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 383 hydrogens (6 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 NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Single : A 1 PCA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.13) USER MOD Single : A 25 GLN : amide:sc= -0.619 X(o=-0.62,f=-0.33) USER MOD Single : A 26 GLN : amide:sc= -3.02! C(o=-3!,f=-12!) USER MOD Single : A 28 LYS NZ :NH3+ 164:sc= -0.062 (180deg=-0.362) USER MOD Single : A 31 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.068) USER MOD Single : A 42 GLN : amide:sc= -0.897 K(o=-0.9,f=0) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -12.835 7.869 8.087 1.00 0.00 N HETATM 2 CA PCA A 1 -13.393 7.952 6.746 1.00 0.00 C HETATM 3 CB PCA A 1 -12.583 8.991 6.004 1.00 0.00 C HETATM 4 CG PCA A 1 -11.435 9.359 6.917 1.00 0.00 C HETATM 5 CD PCA A 1 -11.732 8.599 8.197 1.00 0.00 C HETATM 6 OE PCA A 1 -11.024 8.668 9.207 1.00 0.00 O HETATM 7 C PCA A 1 -13.275 6.614 6.041 1.00 0.00 C HETATM 8 O PCA A 1 -12.686 5.676 6.580 1.00 0.00 O HETATM 0 H2 PCA A 1 -12.923 8.792 8.557 1.00 0.00 H new HETATM 0 HA PCA A 1 -14.449 8.219 6.782 1.00 0.00 H new HETATM 0 HB2 PCA A 1 -12.216 8.596 5.057 1.00 0.00 H new HETATM 0 HB3 PCA A 1 -13.191 9.865 5.771 1.00 0.00 H new HETATM 0 HG2 PCA A 1 -10.475 9.066 6.491 1.00 0.00 H new HETATM 0 HG3 PCA A 1 -11.391 10.434 7.091 1.00 0.00 H new ATOM 15 N ARG A 2 -13.845 6.514 4.867 1.00 0.00 N ATOM 16 CA ARG A 2 -13.765 5.297 4.087 1.00 0.00 C ATOM 17 C ARG A 2 -12.966 5.547 2.826 1.00 0.00 C ATOM 18 O ARG A 2 -12.599 6.692 2.538 1.00 0.00 O ATOM 19 CB ARG A 2 -15.149 4.745 3.749 1.00 0.00 C ATOM 20 CG ARG A 2 -16.003 4.387 4.959 1.00 0.00 C ATOM 21 CD ARG A 2 -15.291 3.423 5.904 1.00 0.00 C ATOM 22 NE ARG A 2 -14.902 2.177 5.242 1.00 0.00 N ATOM 23 CZ ARG A 2 -14.366 1.122 5.854 1.00 0.00 C ATOM 24 NH1 ARG A 2 -14.141 1.133 7.163 1.00 0.00 N ATOM 25 NH2 ARG A 2 -14.055 0.057 5.153 1.00 0.00 N ATOM 0 H ARG A 2 -14.374 7.265 4.424 1.00 0.00 H new ATOM 0 HA ARG A 2 -13.258 4.543 4.690 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -15.683 5.482 3.149 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -15.030 3.856 3.129 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -16.263 5.297 5.500 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -16.937 3.938 4.622 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -14.403 3.907 6.311 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -15.945 3.195 6.746 1.00 0.00 H new ATOM 0 HE ARG A 2 -15.053 2.111 4.235 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -14.379 1.957 7.715 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -13.730 0.317 7.617 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -14.224 0.041 4.147 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -13.644 -0.755 5.614 1.00 0.00 H new ATOM 39 N GLY A 3 -12.714 4.498 2.069 1.00 0.00 N ATOM 40 CA GLY A 3 -11.858 4.615 0.912 1.00 0.00 C ATOM 41 C GLY A 3 -10.435 4.512 1.370 1.00 0.00 C ATOM 42 O GLY A 3 -9.525 5.123 0.818 1.00 0.00 O ATOM 0 H GLY A 3 -13.088 3.563 2.234 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -12.083 3.829 0.191 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -12.027 5.567 0.409 1.00 0.00 H new ATOM 46 N SER A 4 -10.266 3.733 2.400 1.00 0.00 N ATOM 47 CA SER A 4 -9.027 3.575 3.073 1.00 0.00 C ATOM 48 C SER A 4 -8.248 2.399 2.475 1.00 0.00 C ATOM 49 O SER A 4 -8.748 1.260 2.459 1.00 0.00 O ATOM 50 CB SER A 4 -9.342 3.296 4.532 1.00 0.00 C ATOM 51 OG SER A 4 -10.339 4.196 5.004 1.00 0.00 O ATOM 0 H SER A 4 -11.019 3.175 2.801 1.00 0.00 H new ATOM 0 HA SER A 4 -8.416 4.472 2.970 1.00 0.00 H new ATOM 0 HB2 SER A 4 -9.687 2.268 4.646 1.00 0.00 H new ATOM 0 HB3 SER A 4 -8.438 3.397 5.132 1.00 0.00 H new ATOM 0 HG SER A 4 -10.534 4.004 5.945 1.00 0.00 H new ATOM 57 N PRO A 5 -7.013 2.639 1.990 1.00 0.00 N ATOM 58 CA PRO A 5 -6.172 1.594 1.399 1.00 0.00 C ATOM 59 C PRO A 5 -5.870 0.446 2.375 1.00 0.00 C ATOM 60 O PRO A 5 -5.556 -0.659 1.952 1.00 0.00 O ATOM 61 CB PRO A 5 -4.883 2.326 1.013 1.00 0.00 C ATOM 62 CG PRO A 5 -4.901 3.583 1.800 1.00 0.00 C ATOM 63 CD PRO A 5 -6.342 3.951 1.952 1.00 0.00 C ATOM 0 HA PRO A 5 -6.670 1.118 0.555 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -4.004 1.726 1.248 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -4.852 2.531 -0.057 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.429 3.442 2.772 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.348 4.372 1.289 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.519 4.522 2.863 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -6.693 4.561 1.120 1.00 0.00 H new ATOM 71 N ARG A 6 -5.982 0.715 3.680 1.00 0.00 N ATOM 72 CA ARG A 6 -5.771 -0.309 4.711 1.00 0.00 C ATOM 73 C ARG A 6 -6.801 -1.434 4.563 1.00 0.00 C ATOM 74 O ARG A 6 -6.484 -2.619 4.731 1.00 0.00 O ATOM 75 CB ARG A 6 -5.858 0.298 6.127 1.00 0.00 C ATOM 76 CG ARG A 6 -7.225 0.879 6.495 1.00 0.00 C ATOM 77 CD ARG A 6 -7.247 1.409 7.911 1.00 0.00 C ATOM 78 NE ARG A 6 -7.003 0.348 8.890 1.00 0.00 N ATOM 79 CZ ARG A 6 -6.752 0.540 10.190 1.00 0.00 C ATOM 80 NH1 ARG A 6 -6.730 1.774 10.699 1.00 0.00 N ATOM 81 NH2 ARG A 6 -6.546 -0.506 10.978 1.00 0.00 N ATOM 0 H ARG A 6 -6.218 1.636 4.049 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.770 -0.718 4.575 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.599 -0.472 6.853 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.109 1.085 6.216 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.477 1.682 5.802 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.989 0.110 6.383 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.491 2.186 8.020 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -8.213 1.874 8.111 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.026 -0.615 8.554 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.905 2.578 10.096 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.538 1.913 11.691 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -6.579 -1.450 10.592 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -6.354 -0.367 11.970 1.00 0.00 H new ATOM 95 N ALA A 7 -8.019 -1.057 4.203 1.00 0.00 N ATOM 96 CA ALA A 7 -9.080 -2.008 4.024 1.00 0.00 C ATOM 97 C ALA A 7 -8.835 -2.747 2.737 1.00 0.00 C ATOM 98 O ALA A 7 -8.942 -3.965 2.682 1.00 0.00 O ATOM 99 CB ALA A 7 -10.427 -1.306 4.008 1.00 0.00 C ATOM 0 H ALA A 7 -8.288 -0.088 4.030 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.097 -2.716 4.853 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.219 -2.042 3.871 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.576 -0.783 4.953 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.453 -0.588 3.188 1.00 0.00 H new ATOM 105 N GLU A 8 -8.423 -1.993 1.721 1.00 0.00 N ATOM 106 CA GLU A 8 -8.093 -2.542 0.412 1.00 0.00 C ATOM 107 C GLU A 8 -6.982 -3.574 0.528 1.00 0.00 C ATOM 108 O GLU A 8 -6.988 -4.582 -0.159 1.00 0.00 O ATOM 109 CB GLU A 8 -7.656 -1.443 -0.538 1.00 0.00 C ATOM 110 CG GLU A 8 -8.690 -0.371 -0.765 1.00 0.00 C ATOM 111 CD GLU A 8 -8.270 0.578 -1.841 1.00 0.00 C ATOM 112 OE1 GLU A 8 -7.880 1.727 -1.547 1.00 0.00 O ATOM 113 OE2 GLU A 8 -8.324 0.196 -3.017 1.00 0.00 O ATOM 0 H GLU A 8 -8.309 -0.981 1.784 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.990 -3.020 0.018 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.750 -0.980 -0.147 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.397 -1.890 -1.498 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.640 -0.832 -1.036 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.855 0.178 0.162 1.00 0.00 H new ATOM 120 N TYR A 9 -6.034 -3.306 1.402 1.00 0.00 N ATOM 121 CA TYR A 9 -4.937 -4.210 1.692 1.00 0.00 C ATOM 122 C TYR A 9 -5.470 -5.539 2.226 1.00 0.00 C ATOM 123 O TYR A 9 -5.090 -6.617 1.752 1.00 0.00 O ATOM 124 CB TYR A 9 -3.986 -3.558 2.704 1.00 0.00 C ATOM 125 CG TYR A 9 -2.886 -4.460 3.198 1.00 0.00 C ATOM 126 CD1 TYR A 9 -1.757 -4.716 2.433 1.00 0.00 C ATOM 127 CD2 TYR A 9 -2.991 -5.065 4.429 1.00 0.00 C ATOM 128 CE1 TYR A 9 -0.768 -5.563 2.894 1.00 0.00 C ATOM 129 CE2 TYR A 9 -2.017 -5.899 4.896 1.00 0.00 C ATOM 130 CZ TYR A 9 -0.907 -6.153 4.131 1.00 0.00 C ATOM 131 OH TYR A 9 0.064 -7.013 4.606 1.00 0.00 O ATOM 0 H TYR A 9 -6.002 -2.440 1.940 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.386 -4.413 0.773 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.538 -2.676 2.246 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.567 -3.213 3.559 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.650 -4.248 1.466 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.862 -4.876 5.038 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.106 -5.761 2.291 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -2.120 -6.359 5.868 1.00 0.00 H new ATOM 0 HH TYR A 9 -0.193 -7.338 5.494 1.00 0.00 H new ATOM 141 N GLU A 10 -6.369 -5.452 3.174 1.00 0.00 N ATOM 142 CA GLU A 10 -6.977 -6.622 3.776 1.00 0.00 C ATOM 143 C GLU A 10 -7.865 -7.372 2.765 1.00 0.00 C ATOM 144 O GLU A 10 -7.970 -8.608 2.808 1.00 0.00 O ATOM 145 CB GLU A 10 -7.757 -6.217 5.021 1.00 0.00 C ATOM 146 CG GLU A 10 -6.875 -5.718 6.162 1.00 0.00 C ATOM 147 CD GLU A 10 -6.056 -6.825 6.788 1.00 0.00 C ATOM 148 OE1 GLU A 10 -6.561 -7.481 7.728 1.00 0.00 O ATOM 149 OE2 GLU A 10 -4.908 -7.079 6.367 1.00 0.00 O ATOM 0 H GLU A 10 -6.704 -4.567 3.554 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.189 -7.313 4.076 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.468 -5.435 4.755 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.338 -7.071 5.369 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.206 -4.943 5.788 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.501 -5.257 6.926 1.00 0.00 H new ATOM 156 N VAL A 11 -8.483 -6.628 1.854 1.00 0.00 N ATOM 157 CA VAL A 11 -9.281 -7.211 0.771 1.00 0.00 C ATOM 158 C VAL A 11 -8.355 -7.881 -0.253 1.00 0.00 C ATOM 159 O VAL A 11 -8.649 -8.961 -0.763 1.00 0.00 O ATOM 160 CB VAL A 11 -10.176 -6.143 0.071 1.00 0.00 C ATOM 161 CG1 VAL A 11 -10.970 -6.747 -1.087 1.00 0.00 C ATOM 162 CG2 VAL A 11 -11.125 -5.515 1.075 1.00 0.00 C ATOM 0 H VAL A 11 -8.448 -5.609 1.841 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.944 -7.958 1.207 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.518 -5.375 -0.336 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.582 -5.974 -1.551 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.281 -7.156 -1.826 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -11.614 -7.542 -0.711 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.744 -4.771 0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.762 -6.287 1.506 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.551 -5.035 1.867 1.00 0.00 H new ATOM 172 N CYS A 12 -7.229 -7.244 -0.516 1.00 0.00 N ATOM 173 CA CYS A 12 -6.195 -7.761 -1.412 1.00 0.00 C ATOM 174 C CYS A 12 -5.734 -9.124 -0.896 1.00 0.00 C ATOM 175 O CYS A 12 -5.565 -10.086 -1.657 1.00 0.00 O ATOM 176 CB CYS A 12 -5.014 -6.770 -1.452 1.00 0.00 C ATOM 177 SG CYS A 12 -3.705 -7.152 -2.662 1.00 0.00 S ATOM 0 H CYS A 12 -6.997 -6.338 -0.110 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.589 -7.875 -2.422 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.405 -5.776 -1.668 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.565 -6.727 -0.460 1.00 0.00 H new ATOM 182 N ARG A 13 -5.586 -9.201 0.416 1.00 0.00 N ATOM 183 CA ARG A 13 -5.234 -10.432 1.085 1.00 0.00 C ATOM 184 C ARG A 13 -6.377 -11.437 0.990 1.00 0.00 C ATOM 185 O ARG A 13 -6.152 -12.599 0.730 1.00 0.00 O ATOM 186 CB ARG A 13 -4.919 -10.164 2.542 1.00 0.00 C ATOM 187 CG ARG A 13 -3.671 -9.346 2.791 1.00 0.00 C ATOM 188 CD ARG A 13 -3.479 -9.139 4.276 1.00 0.00 C ATOM 189 NE ARG A 13 -3.387 -10.415 4.987 1.00 0.00 N ATOM 190 CZ ARG A 13 -3.748 -10.620 6.257 1.00 0.00 C ATOM 191 NH1 ARG A 13 -4.315 -9.640 6.969 1.00 0.00 N ATOM 192 NH2 ARG A 13 -3.562 -11.815 6.807 1.00 0.00 N ATOM 0 H ARG A 13 -5.708 -8.407 1.044 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.353 -10.847 0.595 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.768 -9.649 2.992 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.817 -11.119 3.057 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.803 -9.854 2.371 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.751 -8.382 2.288 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.573 -8.558 4.450 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.311 -8.558 4.674 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.017 -11.213 4.471 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.475 -8.727 6.543 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.587 -9.806 7.938 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.146 -12.569 6.260 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.835 -11.979 7.776 1.00 0.00 H new ATOM 206 N LEU A 14 -7.611 -10.954 1.166 1.00 0.00 N ATOM 207 CA LEU A 14 -8.825 -11.792 1.125 1.00 0.00 C ATOM 208 C LEU A 14 -8.943 -12.522 -0.212 1.00 0.00 C ATOM 209 O LEU A 14 -9.391 -13.675 -0.276 1.00 0.00 O ATOM 210 CB LEU A 14 -10.069 -10.929 1.373 1.00 0.00 C ATOM 211 CG LEU A 14 -11.419 -11.654 1.405 1.00 0.00 C ATOM 212 CD1 LEU A 14 -11.455 -12.687 2.522 1.00 0.00 C ATOM 213 CD2 LEU A 14 -12.552 -10.654 1.562 1.00 0.00 C ATOM 0 H LEU A 14 -7.802 -9.968 1.342 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.750 -12.542 1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.939 -10.411 2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.112 -10.165 0.597 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.548 -12.179 0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -12.423 -13.188 2.524 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.666 -13.423 2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -11.301 -12.192 3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.504 -11.184 1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.423 -10.102 2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.542 -9.958 0.723 1.00 0.00 H new ATOM 225 N ARG A 15 -8.529 -11.845 -1.268 1.00 0.00 N ATOM 226 CA ARG A 15 -8.486 -12.430 -2.608 1.00 0.00 C ATOM 227 C ARG A 15 -7.581 -13.664 -2.606 1.00 0.00 C ATOM 228 O ARG A 15 -7.944 -14.731 -3.110 1.00 0.00 O ATOM 229 CB ARG A 15 -8.001 -11.389 -3.635 1.00 0.00 C ATOM 230 CG ARG A 15 -8.939 -10.197 -3.774 1.00 0.00 C ATOM 231 CD ARG A 15 -8.450 -9.172 -4.792 1.00 0.00 C ATOM 232 NE ARG A 15 -9.450 -8.106 -4.983 1.00 0.00 N ATOM 233 CZ ARG A 15 -9.273 -6.932 -5.613 1.00 0.00 C ATOM 234 NH1 ARG A 15 -8.104 -6.616 -6.157 1.00 0.00 N ATOM 235 NH2 ARG A 15 -10.286 -6.083 -5.700 1.00 0.00 N ATOM 0 H ARG A 15 -8.213 -10.876 -1.228 1.00 0.00 H new ATOM 0 HA ARG A 15 -9.491 -12.739 -2.895 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.013 -11.033 -3.342 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.891 -11.871 -4.606 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.927 -10.551 -4.068 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.050 -9.713 -2.804 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.509 -8.738 -4.454 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.251 -9.665 -5.744 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.377 -8.278 -4.595 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.322 -7.269 -6.101 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.988 -5.721 -6.631 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.189 -6.323 -5.291 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.163 -5.189 -6.176 1.00 0.00 H new ATOM 249 N CYS A 16 -6.446 -13.530 -1.969 1.00 0.00 N ATOM 250 CA CYS A 16 -5.493 -14.612 -1.859 1.00 0.00 C ATOM 251 C CYS A 16 -5.957 -15.674 -0.866 1.00 0.00 C ATOM 252 O CYS A 16 -5.655 -16.844 -1.031 1.00 0.00 O ATOM 253 CB CYS A 16 -4.136 -14.081 -1.452 1.00 0.00 C ATOM 254 SG CYS A 16 -3.402 -12.935 -2.645 1.00 0.00 S ATOM 0 H CYS A 16 -6.153 -12.667 -1.510 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.416 -15.081 -2.840 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.229 -13.577 -0.490 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.457 -14.922 -1.307 1.00 0.00 H new ATOM 259 N GLN A 17 -6.719 -15.270 0.146 1.00 0.00 N ATOM 260 CA GLN A 17 -7.209 -16.202 1.167 1.00 0.00 C ATOM 261 C GLN A 17 -8.063 -17.300 0.556 1.00 0.00 C ATOM 262 O GLN A 17 -7.977 -18.464 0.956 1.00 0.00 O ATOM 263 CB GLN A 17 -8.002 -15.490 2.274 1.00 0.00 C ATOM 264 CG GLN A 17 -7.216 -14.458 3.066 1.00 0.00 C ATOM 265 CD GLN A 17 -5.933 -15.009 3.642 1.00 0.00 C ATOM 266 OE1 GLN A 17 -4.885 -14.933 3.024 1.00 0.00 O ATOM 267 NE2 GLN A 17 -6.009 -15.578 4.807 1.00 0.00 N ATOM 0 H GLN A 17 -7.013 -14.303 0.285 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.323 -16.650 1.617 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.865 -15.000 1.824 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.386 -16.240 2.965 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.984 -13.612 2.420 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.838 -14.079 3.876 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.903 -15.623 5.295 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.174 -15.980 5.234 1.00 0.00 H new ATOM 276 N VAL A 18 -8.869 -16.941 -0.411 1.00 0.00 N ATOM 277 CA VAL A 18 -9.724 -17.911 -1.057 1.00 0.00 C ATOM 278 C VAL A 18 -9.001 -18.602 -2.232 1.00 0.00 C ATOM 279 O VAL A 18 -9.244 -19.774 -2.525 1.00 0.00 O ATOM 280 CB VAL A 18 -11.076 -17.277 -1.513 1.00 0.00 C ATOM 281 CG1 VAL A 18 -10.857 -16.201 -2.544 1.00 0.00 C ATOM 282 CG2 VAL A 18 -12.055 -18.334 -2.018 1.00 0.00 C ATOM 0 H VAL A 18 -8.953 -15.990 -0.769 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.960 -18.677 -0.319 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.525 -16.811 -0.636 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.818 -15.780 -2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.231 -15.415 -2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.363 -16.628 -3.417 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.983 -17.853 -2.326 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -11.618 -18.858 -2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.263 -19.048 -1.221 1.00 0.00 H new ATOM 292 N ALA A 19 -8.082 -17.894 -2.865 1.00 0.00 N ATOM 293 CA ALA A 19 -7.397 -18.432 -4.026 1.00 0.00 C ATOM 294 C ALA A 19 -6.210 -19.338 -3.661 1.00 0.00 C ATOM 295 O ALA A 19 -6.118 -20.475 -4.146 1.00 0.00 O ATOM 296 CB ALA A 19 -6.958 -17.307 -4.943 1.00 0.00 C ATOM 0 H ALA A 19 -7.795 -16.953 -2.597 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.112 -19.066 -4.550 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.445 -17.723 -5.810 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.832 -16.745 -5.273 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.281 -16.643 -4.406 1.00 0.00 H new ATOM 302 N GLU A 20 -5.343 -18.860 -2.797 1.00 0.00 N ATOM 303 CA GLU A 20 -4.124 -19.565 -2.433 1.00 0.00 C ATOM 304 C GLU A 20 -4.326 -20.386 -1.167 1.00 0.00 C ATOM 305 O GLU A 20 -5.142 -20.032 -0.307 1.00 0.00 O ATOM 306 CB GLU A 20 -2.981 -18.563 -2.214 1.00 0.00 C ATOM 307 CG GLU A 20 -2.623 -17.733 -3.437 1.00 0.00 C ATOM 308 CD GLU A 20 -2.284 -18.584 -4.634 1.00 0.00 C ATOM 309 OE1 GLU A 20 -1.220 -19.247 -4.641 1.00 0.00 O ATOM 310 OE2 GLU A 20 -3.069 -18.592 -5.607 1.00 0.00 O ATOM 0 H GLU A 20 -5.460 -17.965 -2.321 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.868 -20.240 -3.250 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.256 -17.890 -1.402 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.095 -19.108 -1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.459 -17.079 -3.685 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.775 -17.090 -3.200 1.00 0.00 H new ATOM 317 N ARG A 21 -3.614 -21.484 -1.055 1.00 0.00 N ATOM 318 CA ARG A 21 -3.693 -22.325 0.138 1.00 0.00 C ATOM 319 C ARG A 21 -2.402 -22.287 0.918 1.00 0.00 C ATOM 320 O ARG A 21 -2.335 -22.708 2.081 1.00 0.00 O ATOM 321 CB ARG A 21 -4.035 -23.768 -0.200 1.00 0.00 C ATOM 322 CG ARG A 21 -5.405 -23.989 -0.807 1.00 0.00 C ATOM 323 CD ARG A 21 -5.613 -25.463 -1.124 1.00 0.00 C ATOM 324 NE ARG A 21 -5.430 -26.315 0.067 1.00 0.00 N ATOM 325 CZ ARG A 21 -4.773 -27.493 0.081 1.00 0.00 C ATOM 326 NH1 ARG A 21 -4.254 -27.985 -1.045 1.00 0.00 N ATOM 327 NH2 ARG A 21 -4.636 -28.169 1.220 1.00 0.00 N ATOM 0 H ARG A 21 -2.971 -21.823 -1.770 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.497 -21.916 0.750 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.284 -24.148 -0.893 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.960 -24.364 0.710 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.175 -23.647 -0.116 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.507 -23.397 -1.717 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.616 -25.610 -1.524 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.912 -25.769 -1.900 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.831 -25.988 0.946 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.353 -27.470 -1.920 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.758 -28.876 -1.031 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.028 -27.796 2.085 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.139 -29.060 1.228 1.00 0.00 H new ATOM 341 N GLY A 22 -1.409 -21.768 0.304 1.00 0.00 N ATOM 342 CA GLY A 22 -0.106 -21.763 0.897 1.00 0.00 C ATOM 343 C GLY A 22 0.140 -20.539 1.728 1.00 0.00 C ATOM 344 O GLY A 22 -0.162 -19.429 1.307 1.00 0.00 O ATOM 0 H GLY A 22 -1.463 -21.335 -0.618 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.010 -22.650 1.519 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.648 -21.823 0.112 1.00 0.00 H new ATOM 348 N VAL A 23 0.753 -20.735 2.877 1.00 0.00 N ATOM 349 CA VAL A 23 1.027 -19.660 3.818 1.00 0.00 C ATOM 350 C VAL A 23 2.076 -18.729 3.235 1.00 0.00 C ATOM 351 O VAL A 23 1.957 -17.503 3.320 1.00 0.00 O ATOM 352 CB VAL A 23 1.514 -20.212 5.192 1.00 0.00 C ATOM 353 CG1 VAL A 23 1.792 -19.081 6.176 1.00 0.00 C ATOM 354 CG2 VAL A 23 0.491 -21.178 5.775 1.00 0.00 C ATOM 0 H VAL A 23 1.079 -21.650 3.190 1.00 0.00 H new ATOM 0 HA VAL A 23 0.099 -19.113 3.988 1.00 0.00 H new ATOM 0 HB VAL A 23 2.447 -20.749 5.021 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.130 -19.499 7.124 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.565 -18.428 5.771 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.880 -18.506 6.337 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.849 -21.552 6.734 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.457 -20.660 5.919 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.348 -22.014 5.090 1.00 0.00 H new ATOM 364 N GLU A 24 3.077 -19.313 2.595 1.00 0.00 N ATOM 365 CA GLU A 24 4.127 -18.538 1.956 1.00 0.00 C ATOM 366 C GLU A 24 3.569 -17.714 0.812 1.00 0.00 C ATOM 367 O GLU A 24 4.038 -16.604 0.550 1.00 0.00 O ATOM 368 CB GLU A 24 5.252 -19.426 1.468 1.00 0.00 C ATOM 369 CG GLU A 24 6.046 -20.069 2.577 1.00 0.00 C ATOM 370 CD GLU A 24 7.134 -20.950 2.044 1.00 0.00 C ATOM 371 OE1 GLU A 24 6.987 -22.186 2.095 1.00 0.00 O ATOM 372 OE2 GLU A 24 8.145 -20.428 1.537 1.00 0.00 O ATOM 0 H GLU A 24 3.184 -20.323 2.505 1.00 0.00 H new ATOM 0 HA GLU A 24 4.536 -17.860 2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.836 -20.207 0.832 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.926 -18.835 0.847 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.482 -19.295 3.208 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.379 -20.656 3.208 1.00 0.00 H new ATOM 379 N GLN A 25 2.552 -18.242 0.162 1.00 0.00 N ATOM 380 CA GLN A 25 1.881 -17.538 -0.911 1.00 0.00 C ATOM 381 C GLN A 25 1.089 -16.359 -0.384 1.00 0.00 C ATOM 382 O GLN A 25 1.012 -15.313 -1.038 1.00 0.00 O ATOM 383 CB GLN A 25 0.990 -18.474 -1.707 1.00 0.00 C ATOM 384 CG GLN A 25 1.752 -19.447 -2.576 1.00 0.00 C ATOM 385 CD GLN A 25 2.588 -18.740 -3.625 1.00 0.00 C ATOM 386 OE1 GLN A 25 2.112 -18.455 -4.713 1.00 0.00 O ATOM 387 NE2 GLN A 25 3.826 -18.465 -3.320 1.00 0.00 N ATOM 0 H GLN A 25 2.169 -19.166 0.361 1.00 0.00 H new ATOM 0 HA GLN A 25 2.649 -17.152 -1.581 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.359 -19.034 -1.017 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.326 -17.881 -2.337 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.400 -20.061 -1.950 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.050 -20.121 -3.066 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.193 -18.716 -2.402 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.427 -17.998 -3.999 1.00 0.00 H new ATOM 396 N GLN A 26 0.530 -16.511 0.802 1.00 0.00 N ATOM 397 CA GLN A 26 -0.220 -15.430 1.427 1.00 0.00 C ATOM 398 C GLN A 26 0.742 -14.342 1.854 1.00 0.00 C ATOM 399 O GLN A 26 0.458 -13.162 1.706 1.00 0.00 O ATOM 400 CB GLN A 26 -1.042 -15.924 2.626 1.00 0.00 C ATOM 401 CG GLN A 26 -1.942 -17.127 2.347 1.00 0.00 C ATOM 402 CD GLN A 26 -2.945 -16.925 1.219 1.00 0.00 C ATOM 403 OE1 GLN A 26 -2.718 -16.193 0.268 1.00 0.00 O ATOM 404 NE2 GLN A 26 -4.048 -17.585 1.307 1.00 0.00 N ATOM 0 H GLN A 26 0.579 -17.368 1.353 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.927 -15.033 0.698 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.357 -16.182 3.434 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.662 -15.102 2.984 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -1.314 -17.985 2.107 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.486 -17.375 3.258 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.217 -18.191 2.110 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.752 -17.502 0.574 1.00 0.00 H new ATOM 413 N ARG A 27 1.909 -14.760 2.344 1.00 0.00 N ATOM 414 CA ARG A 27 2.975 -13.831 2.718 1.00 0.00 C ATOM 415 C ARG A 27 3.414 -13.026 1.493 1.00 0.00 C ATOM 416 O ARG A 27 3.636 -11.818 1.581 1.00 0.00 O ATOM 417 CB ARG A 27 4.168 -14.576 3.337 1.00 0.00 C ATOM 418 CG ARG A 27 3.845 -15.285 4.646 1.00 0.00 C ATOM 419 CD ARG A 27 5.045 -16.052 5.184 1.00 0.00 C ATOM 420 NE ARG A 27 4.740 -16.737 6.450 1.00 0.00 N ATOM 421 CZ ARG A 27 5.453 -17.740 6.986 1.00 0.00 C ATOM 422 NH1 ARG A 27 6.565 -18.169 6.382 1.00 0.00 N ATOM 423 NH2 ARG A 27 5.061 -18.294 8.141 1.00 0.00 N ATOM 0 H ARG A 27 2.141 -15.742 2.492 1.00 0.00 H new ATOM 0 HA ARG A 27 2.589 -13.145 3.472 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.537 -15.309 2.620 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.976 -13.866 3.510 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.520 -14.553 5.385 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.013 -15.973 4.492 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.368 -16.785 4.444 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.877 -15.364 5.336 1.00 0.00 H new ATOM 0 HE ARG A 27 3.917 -16.423 6.964 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.873 -17.734 5.512 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.106 -18.931 6.791 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.222 -17.954 8.611 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.601 -19.056 8.550 1.00 0.00 H new ATOM 437 N LYS A 28 3.500 -13.709 0.338 1.00 0.00 N ATOM 438 CA LYS A 28 3.804 -13.046 -0.932 1.00 0.00 C ATOM 439 C LYS A 28 2.746 -12.017 -1.241 1.00 0.00 C ATOM 440 O LYS A 28 3.064 -10.882 -1.569 1.00 0.00 O ATOM 441 CB LYS A 28 3.906 -14.045 -2.092 1.00 0.00 C ATOM 442 CG LYS A 28 5.151 -14.910 -2.088 1.00 0.00 C ATOM 443 CD LYS A 28 6.407 -14.066 -2.276 1.00 0.00 C ATOM 444 CE LYS A 28 7.659 -14.923 -2.373 1.00 0.00 C ATOM 445 NZ LYS A 28 7.598 -15.863 -3.510 1.00 0.00 N ATOM 0 H LYS A 28 3.363 -14.717 0.263 1.00 0.00 H new ATOM 0 HA LYS A 28 4.774 -12.561 -0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.031 -14.695 -2.070 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.869 -13.493 -3.031 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.214 -15.457 -1.147 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.085 -15.651 -2.884 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.308 -13.465 -3.180 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.506 -13.372 -1.441 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.532 -14.279 -2.481 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.788 -15.482 -1.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.551 -16.229 -3.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.966 -16.654 -3.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.235 -15.369 -4.350 1.00 0.00 H new ATOM 459 N CYS A 29 1.494 -12.418 -1.111 1.00 0.00 N ATOM 460 CA CYS A 29 0.372 -11.522 -1.309 1.00 0.00 C ATOM 461 C CYS A 29 0.470 -10.299 -0.422 1.00 0.00 C ATOM 462 O CYS A 29 0.377 -9.181 -0.913 1.00 0.00 O ATOM 463 CB CYS A 29 -0.949 -12.243 -1.098 1.00 0.00 C ATOM 464 SG CYS A 29 -1.427 -13.326 -2.467 1.00 0.00 S ATOM 0 H CYS A 29 1.228 -13.372 -0.866 1.00 0.00 H new ATOM 0 HA CYS A 29 0.409 -11.180 -2.343 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.885 -12.836 -0.185 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.734 -11.503 -0.943 1.00 0.00 H new ATOM 469 N GLU A 30 0.716 -10.513 0.867 1.00 0.00 N ATOM 470 CA GLU A 30 0.858 -9.426 1.823 1.00 0.00 C ATOM 471 C GLU A 30 1.922 -8.432 1.367 1.00 0.00 C ATOM 472 O GLU A 30 1.678 -7.241 1.352 1.00 0.00 O ATOM 473 CB GLU A 30 1.180 -9.963 3.217 1.00 0.00 C ATOM 474 CG GLU A 30 0.076 -10.817 3.814 1.00 0.00 C ATOM 475 CD GLU A 30 0.426 -11.341 5.177 1.00 0.00 C ATOM 476 OE1 GLU A 30 0.875 -12.499 5.294 1.00 0.00 O ATOM 477 OE2 GLU A 30 0.277 -10.602 6.168 1.00 0.00 O ATOM 0 H GLU A 30 0.822 -11.442 1.275 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.095 -8.900 1.875 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.096 -10.552 3.167 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.378 -9.123 3.883 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.839 -10.228 3.879 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.131 -11.655 3.148 1.00 0.00 H new ATOM 484 N GLN A 31 3.061 -8.946 0.928 1.00 0.00 N ATOM 485 CA GLN A 31 4.165 -8.113 0.446 1.00 0.00 C ATOM 486 C GLN A 31 3.799 -7.372 -0.844 1.00 0.00 C ATOM 487 O GLN A 31 4.026 -6.172 -0.959 1.00 0.00 O ATOM 488 CB GLN A 31 5.423 -8.957 0.245 1.00 0.00 C ATOM 489 CG GLN A 31 5.951 -9.571 1.530 1.00 0.00 C ATOM 490 CD GLN A 31 6.464 -8.538 2.518 1.00 0.00 C ATOM 491 OE1 GLN A 31 7.644 -8.192 2.519 1.00 0.00 O ATOM 492 NE2 GLN A 31 5.601 -8.026 3.344 1.00 0.00 N ATOM 0 H GLN A 31 3.251 -9.948 0.894 1.00 0.00 H new ATOM 0 HA GLN A 31 4.365 -7.360 1.208 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.207 -9.753 -0.467 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.201 -8.336 -0.198 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.158 -10.152 2.000 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.756 -10.266 1.290 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.628 -8.332 3.320 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.896 -7.318 4.016 1.00 0.00 H new ATOM 501 N VAL A 32 3.203 -8.078 -1.792 1.00 0.00 N ATOM 502 CA VAL A 32 2.798 -7.478 -3.068 1.00 0.00 C ATOM 503 C VAL A 32 1.707 -6.410 -2.866 1.00 0.00 C ATOM 504 O VAL A 32 1.725 -5.348 -3.510 1.00 0.00 O ATOM 505 CB VAL A 32 2.340 -8.558 -4.096 1.00 0.00 C ATOM 506 CG1 VAL A 32 1.829 -7.925 -5.386 1.00 0.00 C ATOM 507 CG2 VAL A 32 3.491 -9.500 -4.412 1.00 0.00 C ATOM 0 H VAL A 32 2.985 -9.071 -1.708 1.00 0.00 H new ATOM 0 HA VAL A 32 3.677 -6.984 -3.482 1.00 0.00 H new ATOM 0 HB VAL A 32 1.521 -9.117 -3.644 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.519 -8.708 -6.078 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.979 -7.280 -5.163 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.624 -7.333 -5.840 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.161 -10.250 -5.131 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.320 -8.933 -4.835 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.819 -9.994 -3.497 1.00 0.00 H new ATOM 517 N CYS A 33 0.784 -6.671 -1.963 1.00 0.00 N ATOM 518 CA CYS A 33 -0.252 -5.703 -1.647 1.00 0.00 C ATOM 519 C CYS A 33 0.372 -4.518 -0.891 1.00 0.00 C ATOM 520 O CYS A 33 -0.010 -3.359 -1.092 1.00 0.00 O ATOM 521 CB CYS A 33 -1.379 -6.342 -0.806 1.00 0.00 C ATOM 522 SG CYS A 33 -2.162 -7.835 -1.540 1.00 0.00 S ATOM 0 H CYS A 33 0.728 -7.542 -1.435 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.695 -5.351 -2.579 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.974 -6.608 0.171 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.152 -5.593 -0.637 1.00 0.00 H new ATOM 527 N GLU A 34 1.377 -4.820 -0.067 1.00 0.00 N ATOM 528 CA GLU A 34 2.065 -3.828 0.744 1.00 0.00 C ATOM 529 C GLU A 34 2.859 -2.857 -0.138 1.00 0.00 C ATOM 530 O GLU A 34 3.049 -1.700 0.220 1.00 0.00 O ATOM 531 CB GLU A 34 2.969 -4.515 1.768 1.00 0.00 C ATOM 532 CG GLU A 34 3.560 -3.594 2.805 1.00 0.00 C ATOM 533 CD GLU A 34 4.345 -4.338 3.838 1.00 0.00 C ATOM 534 OE1 GLU A 34 3.761 -4.769 4.851 1.00 0.00 O ATOM 535 OE2 GLU A 34 5.561 -4.505 3.670 1.00 0.00 O ATOM 0 H GLU A 34 1.735 -5.768 0.053 1.00 0.00 H new ATOM 0 HA GLU A 34 1.321 -3.245 1.286 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.396 -5.291 2.275 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.781 -5.013 1.239 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.206 -2.865 2.316 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.760 -3.036 3.291 1.00 0.00 H new ATOM 542 N GLU A 35 3.292 -3.333 -1.303 1.00 0.00 N ATOM 543 CA GLU A 35 3.966 -2.490 -2.292 1.00 0.00 C ATOM 544 C GLU A 35 3.104 -1.257 -2.636 1.00 0.00 C ATOM 545 O GLU A 35 3.608 -0.130 -2.696 1.00 0.00 O ATOM 546 CB GLU A 35 4.278 -3.289 -3.562 1.00 0.00 C ATOM 547 CG GLU A 35 5.377 -4.343 -3.420 1.00 0.00 C ATOM 548 CD GLU A 35 6.719 -3.748 -3.045 1.00 0.00 C ATOM 549 OE1 GLU A 35 7.317 -4.166 -2.043 1.00 0.00 O ATOM 550 OE2 GLU A 35 7.191 -2.803 -3.730 1.00 0.00 O ATOM 0 H GLU A 35 3.188 -4.307 -1.588 1.00 0.00 H new ATOM 0 HA GLU A 35 4.905 -2.146 -1.859 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.365 -3.783 -3.894 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.566 -2.591 -4.348 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.082 -5.068 -2.662 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.476 -4.887 -4.360 1.00 0.00 H new ATOM 557 N ARG A 36 1.804 -1.473 -2.810 1.00 0.00 N ATOM 558 CA ARG A 36 0.872 -0.381 -3.103 1.00 0.00 C ATOM 559 C ARG A 36 0.635 0.454 -1.851 1.00 0.00 C ATOM 560 O ARG A 36 0.577 1.687 -1.893 1.00 0.00 O ATOM 561 CB ARG A 36 -0.476 -0.924 -3.621 1.00 0.00 C ATOM 562 CG ARG A 36 -1.529 0.165 -3.812 1.00 0.00 C ATOM 563 CD ARG A 36 -2.838 -0.363 -4.371 1.00 0.00 C ATOM 564 NE ARG A 36 -3.490 -1.385 -3.518 1.00 0.00 N ATOM 565 CZ ARG A 36 -4.827 -1.492 -3.367 1.00 0.00 C ATOM 566 NH1 ARG A 36 -5.618 -0.449 -3.630 1.00 0.00 N ATOM 567 NH2 ARG A 36 -5.353 -2.609 -2.875 1.00 0.00 N ATOM 0 H ARG A 36 1.368 -2.394 -2.754 1.00 0.00 H new ATOM 0 HA ARG A 36 1.317 0.241 -3.880 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.314 -1.435 -4.570 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.855 -1.668 -2.920 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.719 0.650 -2.855 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.136 0.928 -4.483 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.525 0.472 -4.509 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.654 -0.791 -5.356 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.895 -2.045 -3.017 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.212 0.432 -3.946 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.628 -0.533 -3.515 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.746 -3.385 -2.611 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.363 -2.690 -2.761 1.00 0.00 H new ATOM 581 N LEU A 37 0.535 -0.229 -0.744 1.00 0.00 N ATOM 582 CA LEU A 37 0.250 0.386 0.537 1.00 0.00 C ATOM 583 C LEU A 37 1.354 1.309 0.999 1.00 0.00 C ATOM 584 O LEU A 37 1.081 2.336 1.590 1.00 0.00 O ATOM 585 CB LEU A 37 -0.094 -0.675 1.575 1.00 0.00 C ATOM 586 CG LEU A 37 -1.579 -1.055 1.696 1.00 0.00 C ATOM 587 CD1 LEU A 37 -2.331 0.053 2.398 1.00 0.00 C ATOM 588 CD2 LEU A 37 -2.217 -1.327 0.328 1.00 0.00 C ATOM 0 H LEU A 37 0.649 -1.242 -0.698 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.625 1.023 0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.472 -1.577 1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.250 -0.325 2.548 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.639 -1.975 2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.383 -0.218 2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.913 0.202 3.394 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.239 0.975 1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.266 -1.592 0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.145 -0.433 -0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.695 -2.150 -0.160 1.00 0.00 H new ATOM 600 N ARG A 38 2.583 0.969 0.683 1.00 0.00 N ATOM 601 CA ARG A 38 3.725 1.797 1.005 1.00 0.00 C ATOM 602 C ARG A 38 3.588 3.146 0.300 1.00 0.00 C ATOM 603 O ARG A 38 3.841 4.209 0.886 1.00 0.00 O ATOM 604 CB ARG A 38 4.977 1.102 0.539 1.00 0.00 C ATOM 605 CG ARG A 38 6.264 1.748 0.992 1.00 0.00 C ATOM 606 CD ARG A 38 7.432 1.029 0.379 1.00 0.00 C ATOM 607 NE ARG A 38 7.428 -0.405 0.697 1.00 0.00 N ATOM 608 CZ ARG A 38 7.414 -1.384 -0.211 1.00 0.00 C ATOM 609 NH1 ARG A 38 7.444 -1.098 -1.503 1.00 0.00 N ATOM 610 NH2 ARG A 38 7.368 -2.643 0.168 1.00 0.00 N ATOM 0 H ARG A 38 2.821 0.106 0.193 1.00 0.00 H new ATOM 0 HA ARG A 38 3.777 1.961 2.081 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.958 0.072 0.895 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.970 1.062 -0.550 1.00 0.00 H new ATOM 0 HG2 ARG A 38 6.277 2.798 0.701 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.335 1.717 2.079 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.410 1.160 -0.703 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.360 1.476 0.736 1.00 0.00 H new ATOM 0 HE ARG A 38 7.437 -0.672 1.681 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.478 -0.126 -1.809 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.433 -1.850 -2.192 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.343 -2.876 1.161 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.358 -3.386 -0.531 1.00 0.00 H new ATOM 624 N GLU A 39 3.124 3.094 -0.940 1.00 0.00 N ATOM 625 CA GLU A 39 2.912 4.288 -1.723 1.00 0.00 C ATOM 626 C GLU A 39 1.759 5.085 -1.139 1.00 0.00 C ATOM 627 O GLU A 39 1.809 6.292 -1.082 1.00 0.00 O ATOM 628 CB GLU A 39 2.629 3.946 -3.183 1.00 0.00 C ATOM 629 CG GLU A 39 3.746 3.182 -3.868 1.00 0.00 C ATOM 630 CD GLU A 39 5.074 3.911 -3.831 1.00 0.00 C ATOM 631 OE1 GLU A 39 6.004 3.444 -3.138 1.00 0.00 O ATOM 632 OE2 GLU A 39 5.218 4.949 -4.505 1.00 0.00 O ATOM 0 H GLU A 39 2.887 2.227 -1.423 1.00 0.00 H new ATOM 0 HA GLU A 39 3.821 4.888 -1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.714 3.356 -3.236 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.445 4.869 -3.732 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.859 2.209 -3.390 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.469 2.997 -4.906 1.00 0.00 H new ATOM 639 N ARG A 40 0.742 4.392 -0.658 1.00 0.00 N ATOM 640 CA ARG A 40 -0.398 5.058 -0.055 1.00 0.00 C ATOM 641 C ARG A 40 -0.132 5.579 1.355 1.00 0.00 C ATOM 642 O ARG A 40 -0.839 6.454 1.820 1.00 0.00 O ATOM 643 CB ARG A 40 -1.676 4.229 -0.101 1.00 0.00 C ATOM 644 CG ARG A 40 -2.329 4.124 -1.481 1.00 0.00 C ATOM 645 CD ARG A 40 -2.557 5.508 -2.118 1.00 0.00 C ATOM 646 NE ARG A 40 -3.122 6.495 -1.166 1.00 0.00 N ATOM 647 CZ ARG A 40 -3.746 7.639 -1.495 1.00 0.00 C ATOM 648 NH1 ARG A 40 -4.138 7.872 -2.749 1.00 0.00 N ATOM 649 NH2 ARG A 40 -4.001 8.528 -0.558 1.00 0.00 N ATOM 0 H ARG A 40 0.682 3.374 -0.673 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.558 5.932 -0.687 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.452 3.224 0.256 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.397 4.661 0.594 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.698 3.523 -2.136 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.283 3.604 -1.392 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.610 5.885 -2.505 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.231 5.404 -2.969 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.029 6.287 -0.172 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.965 7.177 -3.475 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.610 8.746 -2.982 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.725 8.345 0.407 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.474 9.399 -0.797 1.00 0.00 H new ATOM 663 N GLU A 41 0.862 5.044 2.043 1.00 0.00 N ATOM 664 CA GLU A 41 1.241 5.592 3.350 1.00 0.00 C ATOM 665 C GLU A 41 2.119 6.808 3.145 1.00 0.00 C ATOM 666 O GLU A 41 2.274 7.647 4.022 1.00 0.00 O ATOM 667 CB GLU A 41 1.942 4.568 4.231 1.00 0.00 C ATOM 668 CG GLU A 41 1.086 3.373 4.583 1.00 0.00 C ATOM 669 CD GLU A 41 1.766 2.458 5.553 1.00 0.00 C ATOM 670 OE1 GLU A 41 2.722 1.770 5.173 1.00 0.00 O ATOM 671 OE2 GLU A 41 1.342 2.390 6.729 1.00 0.00 O ATOM 0 H GLU A 41 1.417 4.246 1.733 1.00 0.00 H new ATOM 0 HA GLU A 41 0.327 5.876 3.873 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.841 4.221 3.722 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.264 5.055 5.151 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.143 3.716 5.009 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.843 2.822 3.675 1.00 0.00 H new ATOM 678 N GLN A 42 2.684 6.886 1.963 1.00 0.00 N ATOM 679 CA GLN A 42 3.452 8.030 1.551 1.00 0.00 C ATOM 680 C GLN A 42 2.466 9.029 0.933 1.00 0.00 C ATOM 681 O GLN A 42 2.708 10.237 0.875 1.00 0.00 O ATOM 682 CB GLN A 42 4.498 7.579 0.529 1.00 0.00 C ATOM 683 CG GLN A 42 5.478 8.648 0.086 1.00 0.00 C ATOM 684 CD GLN A 42 6.510 8.120 -0.897 1.00 0.00 C ATOM 685 OE1 GLN A 42 7.643 8.597 -0.939 1.00 0.00 O ATOM 686 NE2 GLN A 42 6.135 7.163 -1.703 1.00 0.00 N ATOM 0 H GLN A 42 2.621 6.151 1.258 1.00 0.00 H new ATOM 0 HA GLN A 42 3.977 8.496 2.385 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.061 6.748 0.953 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.980 7.197 -0.351 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.930 9.470 -0.374 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.988 9.054 0.960 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.188 6.788 -1.644 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.789 6.791 -2.392 1.00 0.00 H new ATOM 695 N GLY A 43 1.330 8.490 0.533 1.00 0.00 N ATOM 696 CA GLY A 43 0.253 9.239 -0.027 1.00 0.00 C ATOM 697 C GLY A 43 -0.638 9.788 1.046 1.00 0.00 C ATOM 698 O GLY A 43 -1.756 9.312 1.265 1.00 0.00 O ATOM 0 H GLY A 43 1.139 7.490 0.596 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.649 10.057 -0.629 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.327 8.603 -0.696 1.00 0.00 H new ATOM 702 N ARG A 44 -0.112 10.756 1.747 1.00 0.00 N ATOM 703 CA ARG A 44 -0.830 11.476 2.777 1.00 0.00 C ATOM 704 C ARG A 44 -1.545 12.660 2.148 1.00 0.00 C ATOM 705 O ARG A 44 -2.232 13.440 2.809 1.00 0.00 O ATOM 706 CB ARG A 44 0.151 11.901 3.843 1.00 0.00 C ATOM 707 CG ARG A 44 0.709 10.718 4.611 1.00 0.00 C ATOM 708 CD ARG A 44 2.052 11.027 5.221 1.00 0.00 C ATOM 709 NE ARG A 44 3.062 11.258 4.176 1.00 0.00 N ATOM 710 CZ ARG A 44 4.233 10.616 4.085 1.00 0.00 C ATOM 711 NH1 ARG A 44 4.595 9.737 5.013 1.00 0.00 N ATOM 712 NH2 ARG A 44 5.040 10.858 3.054 1.00 0.00 N ATOM 0 H ARG A 44 0.848 11.077 1.619 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.585 10.846 3.246 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.971 12.452 3.382 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.341 12.583 4.536 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.010 10.433 5.397 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.802 9.862 3.942 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.973 11.908 5.857 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.365 10.200 5.859 1.00 0.00 H new ATOM 0 HE ARG A 44 2.854 11.961 3.467 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.979 9.547 5.803 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.489 9.253 4.935 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.765 11.530 2.338 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.933 10.371 2.980 1.00 0.00 H new ATOM 726 N GLY A 45 -1.343 12.773 0.872 1.00 0.00 N ATOM 727 CA GLY A 45 -2.002 13.705 0.046 1.00 0.00 C ATOM 728 C GLY A 45 -2.408 12.969 -1.194 1.00 0.00 C ATOM 729 O GLY A 45 -1.890 11.875 -1.448 1.00 0.00 O ATOM 0 H GLY A 45 -0.681 12.185 0.366 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.873 14.122 0.551 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.345 14.540 -0.197 1.00 0.00 H new ATOM 733 N GLU A 46 -3.274 13.524 -1.982 1.00 0.00 N ATOM 734 CA GLU A 46 -3.768 12.810 -3.138 1.00 0.00 C ATOM 735 C GLU A 46 -2.989 13.109 -4.399 1.00 0.00 C ATOM 736 O GLU A 46 -3.360 12.661 -5.475 1.00 0.00 O ATOM 737 CB GLU A 46 -5.252 13.052 -3.346 1.00 0.00 C ATOM 738 CG GLU A 46 -6.106 12.483 -2.239 1.00 0.00 C ATOM 739 CD GLU A 46 -5.831 11.020 -2.008 1.00 0.00 C ATOM 740 OE1 GLU A 46 -5.932 10.214 -2.973 1.00 0.00 O ATOM 741 OE2 GLU A 46 -5.537 10.635 -0.868 1.00 0.00 O ATOM 0 H GLU A 46 -3.657 14.461 -1.856 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.618 11.752 -2.925 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.432 14.124 -3.421 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.556 12.611 -4.295 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.921 13.036 -1.318 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.159 12.619 -2.487 1.00 0.00 H new ATOM 748 N ASP A 47 -1.862 13.765 -4.264 1.00 0.00 N ATOM 749 CA ASP A 47 -1.068 14.152 -5.434 1.00 0.00 C ATOM 750 C ASP A 47 -0.140 13.038 -5.872 1.00 0.00 C ATOM 751 O ASP A 47 0.739 13.230 -6.709 1.00 0.00 O ATOM 752 CB ASP A 47 -0.298 15.450 -5.204 1.00 0.00 C ATOM 753 CG ASP A 47 -1.204 16.642 -5.060 1.00 0.00 C ATOM 754 OD1 ASP A 47 -1.517 17.035 -3.909 1.00 0.00 O ATOM 755 OD2 ASP A 47 -1.643 17.199 -6.086 1.00 0.00 O ATOM 0 H ASP A 47 -1.465 14.046 -3.367 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.774 14.335 -6.244 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.313 15.352 -4.306 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.385 15.616 -6.037 1.00 0.00 H new ATOM 760 N VAL A 48 -0.357 11.860 -5.313 1.00 0.00 N ATOM 761 CA VAL A 48 0.371 10.663 -5.703 1.00 0.00 C ATOM 762 C VAL A 48 -0.217 10.095 -6.995 1.00 0.00 C ATOM 763 O VAL A 48 0.339 9.182 -7.616 1.00 0.00 O ATOM 764 CB VAL A 48 0.356 9.575 -4.593 1.00 0.00 C ATOM 765 CG1 VAL A 48 1.099 10.064 -3.372 1.00 0.00 C ATOM 766 CG2 VAL A 48 -1.074 9.186 -4.216 1.00 0.00 C ATOM 0 H VAL A 48 -1.044 11.705 -4.575 1.00 0.00 H new ATOM 0 HA VAL A 48 1.410 10.951 -5.862 1.00 0.00 H new ATOM 0 HB VAL A 48 0.855 8.689 -4.985 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.081 9.293 -2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.132 10.286 -3.639 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.621 10.967 -2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.050 8.423 -3.438 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.605 10.064 -3.848 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.587 8.793 -5.093 1.00 0.00 H new ATOM 776 N ASP A 49 -1.347 10.638 -7.378 1.00 0.00 N ATOM 777 CA ASP A 49 -2.024 10.260 -8.589 1.00 0.00 C ATOM 778 C ASP A 49 -1.768 11.310 -9.634 1.00 0.00 C ATOM 779 O ASP A 49 -2.412 12.371 -9.603 1.00 0.00 O ATOM 780 CB ASP A 49 -3.524 10.076 -8.339 1.00 0.00 C ATOM 781 CG ASP A 49 -4.309 9.739 -9.590 1.00 0.00 C ATOM 782 OD1 ASP A 49 -5.126 10.581 -10.042 1.00 0.00 O ATOM 783 OD2 ASP A 49 -4.148 8.627 -10.140 1.00 0.00 O ATOM 784 OXT ASP A 49 -0.875 11.107 -10.474 1.00 0.00 O ATOM 0 H ASP A 49 -1.827 11.365 -6.848 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.639 9.303 -8.942 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.667 9.283 -7.605 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.926 10.990 -7.903 1.00 0.00 H new TER 789 ASP A 49