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= -0.0284 (180deg=-0.0284) 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= 1.24 K(o=1.2,f=-1.1) USER MOD Single : A 25 GLN : amide:sc= -1.89 K(o=-1.9,f=-7.2!) USER MOD Single : A 26 GLN : amide:sc= 0.561 K(o=0.56,f=-1.2) USER MOD Single : A 28 LYS NZ :NH3+ -164:sc= -0.0468 (180deg=-0.315) USER MOD Single : A 31 GLN : amide:sc= -0.736 K(o=-0.74,f=-0.17) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -11.763 9.429 -3.526 1.00 0.00 N HETATM 2 CA PCA A 1 -12.572 9.626 -2.323 1.00 0.00 C HETATM 3 CB PCA A 1 -13.940 10.083 -2.786 1.00 0.00 C HETATM 4 CG PCA A 1 -13.853 10.234 -4.286 1.00 0.00 C HETATM 5 CD PCA A 1 -12.406 9.884 -4.605 1.00 0.00 C HETATM 6 OE PCA A 1 -11.915 10.021 -5.727 1.00 0.00 O HETATM 7 C PCA A 1 -12.713 8.347 -1.529 1.00 0.00 C HETATM 8 O PCA A 1 -12.851 8.368 -0.317 1.00 0.00 O HETATM 0 H2 PCA A 1 -11.688 10.327 -4.045 1.00 0.00 H new HETATM 0 HA PCA A 1 -12.094 10.358 -1.673 1.00 0.00 H new HETATM 0 HB2 PCA A 1 -14.705 9.357 -2.512 1.00 0.00 H new HETATM 0 HB3 PCA A 1 -14.214 11.027 -2.316 1.00 0.00 H new HETATM 0 HG2 PCA A 1 -14.547 9.566 -4.796 1.00 0.00 H new HETATM 0 HG3 PCA A 1 -14.097 11.249 -4.600 1.00 0.00 H new ATOM 15 N ARG A 2 -12.669 7.233 -2.212 1.00 0.00 N ATOM 16 CA ARG A 2 -12.830 5.943 -1.561 1.00 0.00 C ATOM 17 C ARG A 2 -11.586 5.112 -1.710 1.00 0.00 C ATOM 18 O ARG A 2 -11.568 3.920 -1.371 1.00 0.00 O ATOM 19 CB ARG A 2 -14.029 5.187 -2.119 1.00 0.00 C ATOM 20 CG ARG A 2 -15.349 5.888 -1.910 1.00 0.00 C ATOM 21 CD ARG A 2 -16.503 5.045 -2.399 1.00 0.00 C ATOM 22 NE ARG A 2 -16.422 4.754 -3.838 1.00 0.00 N ATOM 23 CZ ARG A 2 -17.420 4.244 -4.563 1.00 0.00 C ATOM 24 NH1 ARG A 2 -18.578 3.933 -3.984 1.00 0.00 N ATOM 25 NH2 ARG A 2 -17.252 4.044 -5.861 1.00 0.00 N ATOM 0 H ARG A 2 -12.523 7.185 -3.220 1.00 0.00 H new ATOM 0 HA ARG A 2 -13.005 6.131 -0.502 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -13.880 5.027 -3.187 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -14.074 4.203 -1.652 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -15.481 6.110 -0.851 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -15.344 6.842 -2.437 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -16.524 4.108 -1.843 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -17.440 5.561 -2.189 1.00 0.00 H new ATOM 0 HE ARG A 2 -15.543 4.956 -4.315 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -18.705 4.084 -2.983 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -19.338 3.543 -4.541 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -16.363 4.279 -6.302 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -18.011 3.655 -6.419 1.00 0.00 H new ATOM 39 N GLY A 3 -10.534 5.737 -2.182 1.00 0.00 N ATOM 40 CA GLY A 3 -9.283 5.056 -2.372 1.00 0.00 C ATOM 41 C GLY A 3 -8.509 4.994 -1.091 1.00 0.00 C ATOM 42 O GLY A 3 -7.421 5.562 -0.968 1.00 0.00 O ATOM 0 H GLY A 3 -10.524 6.723 -2.442 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -9.466 4.047 -2.740 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -8.696 5.571 -3.132 1.00 0.00 H new ATOM 46 N SER A 4 -9.094 4.353 -0.134 1.00 0.00 N ATOM 47 CA SER A 4 -8.544 4.207 1.162 1.00 0.00 C ATOM 48 C SER A 4 -7.483 3.105 1.156 1.00 0.00 C ATOM 49 O SER A 4 -7.710 2.018 0.593 1.00 0.00 O ATOM 50 CB SER A 4 -9.676 3.860 2.098 1.00 0.00 C ATOM 51 OG SER A 4 -10.755 4.760 1.891 1.00 0.00 O ATOM 0 H SER A 4 -10.002 3.902 -0.243 1.00 0.00 H new ATOM 0 HA SER A 4 -8.060 5.128 1.487 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.005 2.835 1.924 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.336 3.915 3.132 1.00 0.00 H new ATOM 0 HG SER A 4 -11.491 4.534 2.498 1.00 0.00 H new ATOM 57 N PRO A 5 -6.313 3.370 1.763 1.00 0.00 N ATOM 58 CA PRO A 5 -5.203 2.418 1.810 1.00 0.00 C ATOM 59 C PRO A 5 -5.601 1.052 2.381 1.00 0.00 C ATOM 60 O PRO A 5 -5.365 0.028 1.742 1.00 0.00 O ATOM 61 CB PRO A 5 -4.169 3.098 2.711 1.00 0.00 C ATOM 62 CG PRO A 5 -4.483 4.546 2.629 1.00 0.00 C ATOM 63 CD PRO A 5 -5.967 4.644 2.436 1.00 0.00 C ATOM 0 HA PRO A 5 -4.833 2.198 0.808 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -4.240 2.736 3.737 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -3.154 2.894 2.371 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.174 5.063 3.537 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -3.951 5.013 1.800 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.489 4.750 3.387 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -6.236 5.506 1.826 1.00 0.00 H new ATOM 71 N ARG A 6 -6.258 1.032 3.551 1.00 0.00 N ATOM 72 CA ARG A 6 -6.595 -0.245 4.192 1.00 0.00 C ATOM 73 C ARG A 6 -7.676 -0.996 3.430 1.00 0.00 C ATOM 74 O ARG A 6 -7.780 -2.216 3.536 1.00 0.00 O ATOM 75 CB ARG A 6 -6.983 -0.122 5.678 1.00 0.00 C ATOM 76 CG ARG A 6 -8.346 0.488 5.964 1.00 0.00 C ATOM 77 CD ARG A 6 -8.666 0.412 7.452 1.00 0.00 C ATOM 78 NE ARG A 6 -8.642 -0.982 7.959 1.00 0.00 N ATOM 79 CZ ARG A 6 -8.428 -1.334 9.245 1.00 0.00 C ATOM 80 NH1 ARG A 6 -8.305 -0.400 10.187 1.00 0.00 N ATOM 81 NH2 ARG A 6 -8.348 -2.618 9.582 1.00 0.00 N ATOM 0 H ARG A 6 -6.559 1.863 4.060 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.670 -0.820 4.158 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.951 -1.116 6.125 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.226 0.478 6.182 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.361 1.527 5.636 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -9.112 -0.038 5.394 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.945 1.012 8.008 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -9.649 0.846 7.633 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.799 -1.731 7.285 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.372 0.587 9.938 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.143 -0.672 11.157 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.448 -3.340 8.868 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.186 -2.881 10.554 1.00 0.00 H new ATOM 95 N ALA A 7 -8.457 -0.276 2.639 1.00 0.00 N ATOM 96 CA ALA A 7 -9.502 -0.896 1.850 1.00 0.00 C ATOM 97 C ALA A 7 -8.857 -1.807 0.824 1.00 0.00 C ATOM 98 O ALA A 7 -9.110 -3.012 0.798 1.00 0.00 O ATOM 99 CB ALA A 7 -10.368 0.157 1.180 1.00 0.00 C ATOM 0 H ALA A 7 -8.385 0.735 2.529 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.153 -1.483 2.497 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.146 -0.331 0.593 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.829 0.787 1.941 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.751 0.772 0.525 1.00 0.00 H new ATOM 105 N GLU A 8 -7.951 -1.233 0.050 1.00 0.00 N ATOM 106 CA GLU A 8 -7.195 -1.965 -0.948 1.00 0.00 C ATOM 107 C GLU A 8 -6.284 -2.992 -0.289 1.00 0.00 C ATOM 108 O GLU A 8 -5.995 -4.034 -0.856 1.00 0.00 O ATOM 109 CB GLU A 8 -6.358 -0.993 -1.780 1.00 0.00 C ATOM 110 CG GLU A 8 -7.176 -0.091 -2.680 1.00 0.00 C ATOM 111 CD GLU A 8 -7.858 -0.863 -3.779 1.00 0.00 C ATOM 112 OE1 GLU A 8 -7.313 -0.924 -4.909 1.00 0.00 O ATOM 113 OE2 GLU A 8 -8.939 -1.430 -3.553 1.00 0.00 O ATOM 0 H GLU A 8 -7.719 -0.241 0.098 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.897 -2.489 -1.596 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -5.762 -0.375 -1.108 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.659 -1.563 -2.392 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -7.925 0.432 -2.086 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.529 0.669 -3.118 1.00 0.00 H new ATOM 120 N TYR A 9 -5.837 -2.676 0.896 1.00 0.00 N ATOM 121 CA TYR A 9 -4.935 -3.512 1.663 1.00 0.00 C ATOM 122 C TYR A 9 -5.588 -4.829 2.048 1.00 0.00 C ATOM 123 O TYR A 9 -5.149 -5.905 1.630 1.00 0.00 O ATOM 124 CB TYR A 9 -4.547 -2.774 2.933 1.00 0.00 C ATOM 125 CG TYR A 9 -3.438 -3.389 3.729 1.00 0.00 C ATOM 126 CD1 TYR A 9 -2.147 -3.144 3.380 1.00 0.00 C ATOM 127 CD2 TYR A 9 -3.683 -4.169 4.845 1.00 0.00 C ATOM 128 CE1 TYR A 9 -1.107 -3.633 4.078 1.00 0.00 C ATOM 129 CE2 TYR A 9 -2.637 -4.687 5.574 1.00 0.00 C ATOM 130 CZ TYR A 9 -1.342 -4.410 5.183 1.00 0.00 C ATOM 131 OH TYR A 9 -0.292 -4.915 5.890 1.00 0.00 O ATOM 0 H TYR A 9 -6.092 -1.811 1.372 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.061 -3.727 1.048 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.258 -1.758 2.666 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -5.428 -2.698 3.570 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.950 -2.534 2.511 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.700 -4.372 5.146 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.095 -3.416 3.771 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -2.827 -5.302 6.441 1.00 0.00 H new ATOM 0 HH TYR A 9 -0.629 -5.443 6.644 1.00 0.00 H new ATOM 141 N GLU A 10 -6.648 -4.733 2.821 1.00 0.00 N ATOM 142 CA GLU A 10 -7.283 -5.892 3.397 1.00 0.00 C ATOM 143 C GLU A 10 -7.948 -6.773 2.351 1.00 0.00 C ATOM 144 O GLU A 10 -7.859 -7.993 2.447 1.00 0.00 O ATOM 145 CB GLU A 10 -8.242 -5.478 4.496 1.00 0.00 C ATOM 146 CG GLU A 10 -7.568 -4.645 5.572 1.00 0.00 C ATOM 147 CD GLU A 10 -8.508 -4.168 6.643 1.00 0.00 C ATOM 148 OE1 GLU A 10 -8.446 -4.683 7.786 1.00 0.00 O ATOM 149 OE2 GLU A 10 -9.315 -3.254 6.384 1.00 0.00 O ATOM 0 H GLU A 10 -7.092 -3.848 3.066 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.504 -6.508 3.846 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.064 -4.909 4.061 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.676 -6.369 4.949 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.775 -5.235 6.033 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.093 -3.781 5.106 1.00 0.00 H new ATOM 156 N VAL A 11 -8.559 -6.171 1.330 1.00 0.00 N ATOM 157 CA VAL A 11 -9.192 -6.958 0.263 1.00 0.00 C ATOM 158 C VAL A 11 -8.119 -7.724 -0.537 1.00 0.00 C ATOM 159 O VAL A 11 -8.306 -8.896 -0.892 1.00 0.00 O ATOM 160 CB VAL A 11 -10.067 -6.080 -0.683 1.00 0.00 C ATOM 161 CG1 VAL A 11 -10.710 -6.924 -1.780 1.00 0.00 C ATOM 162 CG2 VAL A 11 -11.149 -5.361 0.113 1.00 0.00 C ATOM 0 H VAL A 11 -8.631 -5.160 1.216 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.864 -7.673 0.737 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.415 -5.343 -1.152 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.314 -6.285 -2.424 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.932 -7.404 -2.373 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -11.344 -7.686 -1.328 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.752 -4.752 -0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.786 -6.095 0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.684 -4.721 0.863 1.00 0.00 H new ATOM 172 N CYS A 12 -6.986 -7.065 -0.763 1.00 0.00 N ATOM 173 CA CYS A 12 -5.826 -7.665 -1.432 1.00 0.00 C ATOM 174 C CYS A 12 -5.367 -8.912 -0.664 1.00 0.00 C ATOM 175 O CYS A 12 -5.132 -9.982 -1.254 1.00 0.00 O ATOM 176 CB CYS A 12 -4.695 -6.620 -1.500 1.00 0.00 C ATOM 177 SG CYS A 12 -3.089 -7.185 -2.136 1.00 0.00 S ATOM 0 H CYS A 12 -6.842 -6.094 -0.487 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.095 -7.969 -2.444 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.035 -5.793 -2.124 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.541 -6.221 -0.497 1.00 0.00 H new ATOM 182 N ARG A 13 -5.285 -8.780 0.657 1.00 0.00 N ATOM 183 CA ARG A 13 -4.885 -9.886 1.518 1.00 0.00 C ATOM 184 C ARG A 13 -5.955 -10.967 1.491 1.00 0.00 C ATOM 185 O ARG A 13 -5.651 -12.137 1.302 1.00 0.00 O ATOM 186 CB ARG A 13 -4.677 -9.415 2.966 1.00 0.00 C ATOM 187 CG ARG A 13 -3.668 -8.290 3.136 1.00 0.00 C ATOM 188 CD ARG A 13 -3.484 -7.921 4.605 1.00 0.00 C ATOM 189 NE ARG A 13 -2.847 -8.996 5.364 1.00 0.00 N ATOM 190 CZ ARG A 13 -2.537 -8.979 6.667 1.00 0.00 C ATOM 191 NH1 ARG A 13 -2.948 -7.990 7.454 1.00 0.00 N ATOM 192 NH2 ARG A 13 -1.847 -9.984 7.179 1.00 0.00 N ATOM 0 H ARG A 13 -5.491 -7.914 1.155 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.941 -10.283 1.144 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.636 -9.087 3.367 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.355 -10.266 3.566 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.710 -8.592 2.713 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.001 -7.414 2.579 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.879 -7.017 4.679 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.454 -7.692 5.046 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.615 -9.845 4.849 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.508 -7.230 7.068 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.704 -7.991 8.444 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.557 -10.760 6.583 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.604 -9.984 8.170 1.00 0.00 H new ATOM 206 N LEU A 14 -7.208 -10.539 1.628 1.00 0.00 N ATOM 207 CA LEU A 14 -8.370 -11.423 1.683 1.00 0.00 C ATOM 208 C LEU A 14 -8.404 -12.365 0.499 1.00 0.00 C ATOM 209 O LEU A 14 -8.436 -13.580 0.673 1.00 0.00 O ATOM 210 CB LEU A 14 -9.664 -10.595 1.703 1.00 0.00 C ATOM 211 CG LEU A 14 -10.976 -11.378 1.806 1.00 0.00 C ATOM 212 CD1 LEU A 14 -11.072 -12.110 3.136 1.00 0.00 C ATOM 213 CD2 LEU A 14 -12.166 -10.455 1.604 1.00 0.00 C ATOM 0 H LEU A 14 -7.448 -9.551 1.705 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.291 -12.013 2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.613 -9.903 2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.697 -9.992 0.795 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.988 -12.127 1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -12.013 -12.658 3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.240 -12.809 3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -11.031 -11.389 3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.089 -11.029 1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.158 -9.678 2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.106 -9.995 0.618 1.00 0.00 H new ATOM 225 N ARG A 15 -8.341 -11.799 -0.699 1.00 0.00 N ATOM 226 CA ARG A 15 -8.437 -12.581 -1.921 1.00 0.00 C ATOM 227 C ARG A 15 -7.369 -13.649 -2.003 1.00 0.00 C ATOM 228 O ARG A 15 -7.683 -14.812 -2.179 1.00 0.00 O ATOM 229 CB ARG A 15 -8.430 -11.697 -3.166 1.00 0.00 C ATOM 230 CG ARG A 15 -9.628 -10.765 -3.267 1.00 0.00 C ATOM 231 CD ARG A 15 -10.940 -11.539 -3.226 1.00 0.00 C ATOM 232 NE ARG A 15 -12.106 -10.665 -3.381 1.00 0.00 N ATOM 233 CZ ARG A 15 -13.330 -10.928 -2.904 1.00 0.00 C ATOM 234 NH1 ARG A 15 -13.541 -12.000 -2.150 1.00 0.00 N ATOM 235 NH2 ARG A 15 -14.338 -10.116 -3.181 1.00 0.00 N ATOM 0 H ARG A 15 -8.223 -10.797 -0.849 1.00 0.00 H new ATOM 0 HA ARG A 15 -9.400 -13.090 -1.885 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.517 -11.101 -3.172 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.401 -12.333 -4.051 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.602 -10.047 -2.448 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.570 -10.194 -4.194 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.942 -12.288 -4.018 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.014 -12.075 -2.280 1.00 0.00 H new ATOM 0 HE ARG A 15 -11.976 -9.791 -3.890 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.769 -12.629 -1.931 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -14.475 -12.194 -1.790 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.183 -9.289 -3.758 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.270 -10.317 -2.817 1.00 0.00 H new ATOM 249 N CYS A 16 -6.127 -13.276 -1.815 1.00 0.00 N ATOM 250 CA CYS A 16 -5.053 -14.248 -1.873 1.00 0.00 C ATOM 251 C CYS A 16 -5.064 -15.239 -0.719 1.00 0.00 C ATOM 252 O CYS A 16 -4.675 -16.384 -0.902 1.00 0.00 O ATOM 253 CB CYS A 16 -3.692 -13.607 -2.053 1.00 0.00 C ATOM 254 SG CYS A 16 -3.177 -13.415 -3.802 1.00 0.00 S ATOM 0 H CYS A 16 -5.832 -12.319 -1.622 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.252 -14.832 -2.772 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.699 -12.626 -1.578 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.948 -14.208 -1.531 1.00 0.00 H new ATOM 259 N GLN A 17 -5.529 -14.822 0.452 1.00 0.00 N ATOM 260 CA GLN A 17 -5.627 -15.738 1.586 1.00 0.00 C ATOM 261 C GLN A 17 -6.691 -16.796 1.345 1.00 0.00 C ATOM 262 O GLN A 17 -6.564 -17.923 1.789 1.00 0.00 O ATOM 263 CB GLN A 17 -5.895 -15.013 2.905 1.00 0.00 C ATOM 264 CG GLN A 17 -4.711 -14.231 3.458 1.00 0.00 C ATOM 265 CD GLN A 17 -5.041 -13.569 4.781 1.00 0.00 C ATOM 266 OE1 GLN A 17 -5.881 -14.053 5.541 1.00 0.00 O ATOM 267 NE2 GLN A 17 -4.384 -12.492 5.094 1.00 0.00 N ATOM 0 H GLN A 17 -5.841 -13.870 0.642 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.656 -16.225 1.672 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.730 -14.327 2.763 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.207 -15.746 3.649 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.862 -14.902 3.589 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.409 -13.471 2.737 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.693 -12.110 4.448 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.559 -12.029 5.986 1.00 0.00 H new ATOM 276 N VAL A 18 -7.729 -16.433 0.636 1.00 0.00 N ATOM 277 CA VAL A 18 -8.791 -17.370 0.330 1.00 0.00 C ATOM 278 C VAL A 18 -8.463 -18.182 -0.931 1.00 0.00 C ATOM 279 O VAL A 18 -8.698 -19.389 -0.980 1.00 0.00 O ATOM 280 CB VAL A 18 -10.165 -16.655 0.178 1.00 0.00 C ATOM 281 CG1 VAL A 18 -11.270 -17.646 -0.167 1.00 0.00 C ATOM 282 CG2 VAL A 18 -10.518 -15.911 1.457 1.00 0.00 C ATOM 0 H VAL A 18 -7.866 -15.496 0.257 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.867 -18.057 1.173 1.00 0.00 H new ATOM 0 HB VAL A 18 -10.079 -15.941 -0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -12.217 -17.115 -0.266 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.032 -18.143 -1.107 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.352 -18.390 0.626 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.481 -15.416 1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.575 -16.618 2.285 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.751 -15.166 1.668 1.00 0.00 H new ATOM 292 N ALA A 19 -7.903 -17.529 -1.933 1.00 0.00 N ATOM 293 CA ALA A 19 -7.571 -18.187 -3.197 1.00 0.00 C ATOM 294 C ALA A 19 -6.420 -19.175 -3.041 1.00 0.00 C ATOM 295 O ALA A 19 -6.471 -20.286 -3.580 1.00 0.00 O ATOM 296 CB ALA A 19 -7.251 -17.166 -4.278 1.00 0.00 C ATOM 0 H ALA A 19 -7.665 -16.538 -1.901 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.452 -18.752 -3.502 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.008 -17.683 -5.206 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.116 -16.522 -4.437 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.400 -16.561 -3.966 1.00 0.00 H new ATOM 302 N GLU A 20 -5.403 -18.780 -2.309 1.00 0.00 N ATOM 303 CA GLU A 20 -4.239 -19.613 -2.076 1.00 0.00 C ATOM 304 C GLU A 20 -4.224 -20.025 -0.621 1.00 0.00 C ATOM 305 O GLU A 20 -4.480 -19.206 0.239 1.00 0.00 O ATOM 306 CB GLU A 20 -2.956 -18.831 -2.389 1.00 0.00 C ATOM 307 CG GLU A 20 -2.843 -18.339 -3.826 1.00 0.00 C ATOM 308 CD GLU A 20 -2.798 -19.467 -4.824 1.00 0.00 C ATOM 309 OE1 GLU A 20 -3.834 -19.780 -5.454 1.00 0.00 O ATOM 310 OE2 GLU A 20 -1.730 -20.076 -4.999 1.00 0.00 O ATOM 0 H GLU A 20 -5.357 -17.868 -1.855 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.286 -20.490 -2.722 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.898 -17.972 -1.720 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.098 -19.465 -2.168 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.691 -17.693 -4.052 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.943 -17.732 -3.928 1.00 0.00 H new ATOM 317 N ARG A 21 -3.943 -21.279 -0.339 1.00 0.00 N ATOM 318 CA ARG A 21 -3.897 -21.740 1.047 1.00 0.00 C ATOM 319 C ARG A 21 -2.466 -22.023 1.474 1.00 0.00 C ATOM 320 O ARG A 21 -2.216 -22.546 2.570 1.00 0.00 O ATOM 321 CB ARG A 21 -4.791 -22.974 1.273 1.00 0.00 C ATOM 322 CG ARG A 21 -4.375 -24.225 0.509 1.00 0.00 C ATOM 323 CD ARG A 21 -5.344 -25.374 0.753 1.00 0.00 C ATOM 324 NE ARG A 21 -5.492 -25.691 2.181 1.00 0.00 N ATOM 325 CZ ARG A 21 -6.209 -26.707 2.678 1.00 0.00 C ATOM 326 NH1 ARG A 21 -6.778 -27.594 1.869 1.00 0.00 N ATOM 327 NH2 ARG A 21 -6.322 -26.843 3.989 1.00 0.00 N ATOM 0 H ARG A 21 -3.744 -21.996 -1.036 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.291 -20.937 1.670 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -4.802 -23.205 2.338 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.813 -22.719 0.992 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.332 -24.004 -0.557 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.372 -24.522 0.814 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.319 -25.118 0.338 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.994 -26.259 0.222 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.009 -25.088 2.847 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.671 -27.505 0.859 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.322 -28.364 2.258 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.865 -26.177 4.612 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.866 -27.614 4.377 1.00 0.00 H new ATOM 341 N GLY A 22 -1.537 -21.665 0.619 1.00 0.00 N ATOM 342 CA GLY A 22 -0.150 -21.877 0.919 1.00 0.00 C ATOM 343 C GLY A 22 0.462 -20.640 1.521 1.00 0.00 C ATOM 344 O GLY A 22 0.232 -19.533 1.024 1.00 0.00 O ATOM 0 H GLY A 22 -1.720 -21.228 -0.284 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.047 -22.713 1.611 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.386 -22.148 0.009 1.00 0.00 H new ATOM 348 N VAL A 23 1.274 -20.832 2.545 1.00 0.00 N ATOM 349 CA VAL A 23 1.879 -19.735 3.308 1.00 0.00 C ATOM 350 C VAL A 23 2.723 -18.796 2.428 1.00 0.00 C ATOM 351 O VAL A 23 2.504 -17.583 2.424 1.00 0.00 O ATOM 352 CB VAL A 23 2.740 -20.279 4.493 1.00 0.00 C ATOM 353 CG1 VAL A 23 3.369 -19.145 5.290 1.00 0.00 C ATOM 354 CG2 VAL A 23 1.895 -21.152 5.411 1.00 0.00 C ATOM 0 H VAL A 23 1.539 -21.758 2.880 1.00 0.00 H new ATOM 0 HA VAL A 23 1.052 -19.150 3.710 1.00 0.00 H new ATOM 0 HB VAL A 23 3.542 -20.881 4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.961 -19.559 6.106 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.013 -18.555 4.638 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.584 -18.508 5.698 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.511 -21.522 6.230 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.070 -20.564 5.814 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.498 -21.996 4.847 1.00 0.00 H new ATOM 364 N GLU A 24 3.630 -19.361 1.647 1.00 0.00 N ATOM 365 CA GLU A 24 4.550 -18.567 0.832 1.00 0.00 C ATOM 366 C GLU A 24 3.823 -17.789 -0.247 1.00 0.00 C ATOM 367 O GLU A 24 4.164 -16.643 -0.528 1.00 0.00 O ATOM 368 CB GLU A 24 5.630 -19.448 0.217 1.00 0.00 C ATOM 369 CG GLU A 24 6.582 -20.045 1.232 1.00 0.00 C ATOM 370 CD GLU A 24 7.432 -18.998 1.907 1.00 0.00 C ATOM 371 OE1 GLU A 24 7.046 -18.463 2.952 1.00 0.00 O ATOM 372 OE2 GLU A 24 8.523 -18.698 1.405 1.00 0.00 O ATOM 0 H GLU A 24 3.753 -20.370 1.557 1.00 0.00 H new ATOM 0 HA GLU A 24 5.025 -17.845 1.496 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.154 -20.255 -0.340 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.201 -18.859 -0.501 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.012 -20.588 1.986 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.228 -20.770 0.738 1.00 0.00 H new ATOM 379 N GLN A 25 2.809 -18.394 -0.818 1.00 0.00 N ATOM 380 CA GLN A 25 2.050 -17.750 -1.875 1.00 0.00 C ATOM 381 C GLN A 25 1.232 -16.593 -1.337 1.00 0.00 C ATOM 382 O GLN A 25 1.149 -15.529 -1.969 1.00 0.00 O ATOM 383 CB GLN A 25 1.177 -18.756 -2.612 1.00 0.00 C ATOM 384 CG GLN A 25 1.976 -19.857 -3.296 1.00 0.00 C ATOM 385 CD GLN A 25 2.856 -19.373 -4.451 1.00 0.00 C ATOM 386 OE1 GLN A 25 3.334 -18.227 -4.490 1.00 0.00 O ATOM 387 NE2 GLN A 25 3.088 -20.239 -5.391 1.00 0.00 N ATOM 0 H GLN A 25 2.487 -19.330 -0.572 1.00 0.00 H new ATOM 0 HA GLN A 25 2.759 -17.340 -2.594 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.479 -19.207 -1.906 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.581 -18.231 -3.359 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.607 -20.346 -2.554 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.285 -20.611 -3.673 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.683 -21.174 -5.335 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.675 -19.984 -6.185 1.00 0.00 H new ATOM 396 N GLN A 26 0.657 -16.775 -0.152 1.00 0.00 N ATOM 397 CA GLN A 26 -0.093 -15.709 0.485 1.00 0.00 C ATOM 398 C GLN A 26 0.852 -14.582 0.845 1.00 0.00 C ATOM 399 O GLN A 26 0.537 -13.429 0.617 1.00 0.00 O ATOM 400 CB GLN A 26 -0.829 -16.192 1.727 1.00 0.00 C ATOM 401 CG GLN A 26 -1.838 -17.301 1.478 1.00 0.00 C ATOM 402 CD GLN A 26 -2.516 -17.738 2.754 1.00 0.00 C ATOM 403 OE1 GLN A 26 -1.940 -17.635 3.838 1.00 0.00 O ATOM 404 NE2 GLN A 26 -3.701 -18.261 2.651 1.00 0.00 N ATOM 0 H GLN A 26 0.698 -17.645 0.379 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.847 -15.356 -0.219 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.096 -16.543 2.453 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.345 -15.345 2.179 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.589 -16.957 0.767 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.335 -18.154 1.023 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.150 -18.331 1.738 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.182 -18.601 3.483 1.00 0.00 H new ATOM 413 N ARG A 27 2.032 -14.938 1.365 1.00 0.00 N ATOM 414 CA ARG A 27 3.064 -13.959 1.702 1.00 0.00 C ATOM 415 C ARG A 27 3.410 -13.095 0.502 1.00 0.00 C ATOM 416 O ARG A 27 3.365 -11.877 0.594 1.00 0.00 O ATOM 417 CB ARG A 27 4.328 -14.623 2.267 1.00 0.00 C ATOM 418 CG ARG A 27 4.167 -15.188 3.670 1.00 0.00 C ATOM 419 CD ARG A 27 5.443 -15.834 4.154 1.00 0.00 C ATOM 420 NE ARG A 27 5.372 -16.232 5.565 1.00 0.00 N ATOM 421 CZ ARG A 27 6.267 -17.003 6.186 1.00 0.00 C ATOM 422 NH1 ARG A 27 7.161 -17.676 5.488 1.00 0.00 N ATOM 423 NH2 ARG A 27 6.198 -17.169 7.492 1.00 0.00 N ATOM 0 H ARG A 27 2.294 -15.904 1.561 1.00 0.00 H new ATOM 0 HA ARG A 27 2.651 -13.321 2.483 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.632 -15.427 1.597 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.136 -13.892 2.273 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.879 -14.390 4.354 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.360 -15.921 3.678 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.657 -16.711 3.543 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.272 -15.140 4.017 1.00 0.00 H new ATOM 0 HE ARG A 27 4.580 -15.894 6.112 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.170 -17.608 4.470 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.844 -18.264 5.966 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.461 -16.708 8.026 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.881 -17.758 7.968 1.00 0.00 H new ATOM 437 N LYS A 28 3.701 -13.732 -0.633 1.00 0.00 N ATOM 438 CA LYS A 28 4.028 -13.018 -1.877 1.00 0.00 C ATOM 439 C LYS A 28 2.898 -12.082 -2.286 1.00 0.00 C ATOM 440 O LYS A 28 3.137 -10.939 -2.689 1.00 0.00 O ATOM 441 CB LYS A 28 4.310 -14.002 -3.003 1.00 0.00 C ATOM 442 CG LYS A 28 5.523 -14.867 -2.771 1.00 0.00 C ATOM 443 CD LYS A 28 5.696 -15.879 -3.880 1.00 0.00 C ATOM 444 CE LYS A 28 6.939 -16.720 -3.674 1.00 0.00 C ATOM 445 NZ LYS A 28 8.173 -15.903 -3.663 1.00 0.00 N ATOM 0 H LYS A 28 3.718 -14.748 -0.721 1.00 0.00 H new ATOM 0 HA LYS A 28 4.922 -12.424 -1.690 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.439 -14.644 -3.138 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.444 -13.447 -3.932 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.412 -14.240 -2.706 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.427 -15.384 -1.816 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.820 -16.526 -3.923 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.759 -15.363 -4.838 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.856 -17.262 -2.732 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.006 -17.466 -4.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.000 -16.521 -3.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.136 -15.208 -4.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.252 -15.405 -2.753 1.00 0.00 H new ATOM 459 N CYS A 29 1.683 -12.571 -2.175 1.00 0.00 N ATOM 460 CA CYS A 29 0.499 -11.782 -2.455 1.00 0.00 C ATOM 461 C CYS A 29 0.390 -10.576 -1.537 1.00 0.00 C ATOM 462 O CYS A 29 0.196 -9.446 -1.999 1.00 0.00 O ATOM 463 CB CYS A 29 -0.754 -12.620 -2.304 1.00 0.00 C ATOM 464 SG CYS A 29 -1.172 -13.702 -3.699 1.00 0.00 S ATOM 0 H CYS A 29 1.485 -13.529 -1.887 1.00 0.00 H new ATOM 0 HA CYS A 29 0.593 -11.434 -3.484 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.647 -13.238 -1.412 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.595 -11.949 -2.128 1.00 0.00 H new ATOM 469 N GLU A 30 0.548 -10.809 -0.248 1.00 0.00 N ATOM 470 CA GLU A 30 0.390 -9.772 0.743 1.00 0.00 C ATOM 471 C GLU A 30 1.525 -8.756 0.699 1.00 0.00 C ATOM 472 O GLU A 30 1.361 -7.614 1.143 1.00 0.00 O ATOM 473 CB GLU A 30 0.169 -10.372 2.129 1.00 0.00 C ATOM 474 CG GLU A 30 -1.062 -11.277 2.167 1.00 0.00 C ATOM 475 CD GLU A 30 -1.375 -11.817 3.528 1.00 0.00 C ATOM 476 OE1 GLU A 30 -2.209 -11.241 4.210 1.00 0.00 O ATOM 477 OE2 GLU A 30 -0.795 -12.832 3.946 1.00 0.00 O ATOM 0 H GLU A 30 0.789 -11.722 0.137 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.510 -9.208 0.499 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.049 -10.944 2.422 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.053 -9.570 2.858 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.923 -10.718 1.802 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.909 -12.111 1.482 1.00 0.00 H new ATOM 484 N GLN A 31 2.666 -9.153 0.126 1.00 0.00 N ATOM 485 CA GLN A 31 3.760 -8.218 -0.099 1.00 0.00 C ATOM 486 C GLN A 31 3.323 -7.132 -1.059 1.00 0.00 C ATOM 487 O GLN A 31 3.656 -5.980 -0.869 1.00 0.00 O ATOM 488 CB GLN A 31 5.034 -8.905 -0.624 1.00 0.00 C ATOM 489 CG GLN A 31 5.666 -9.877 0.358 1.00 0.00 C ATOM 490 CD GLN A 31 6.050 -9.237 1.686 1.00 0.00 C ATOM 491 OE1 GLN A 31 6.008 -9.887 2.727 1.00 0.00 O ATOM 492 NE2 GLN A 31 6.465 -7.984 1.665 1.00 0.00 N ATOM 0 H GLN A 31 2.850 -10.107 -0.186 1.00 0.00 H new ATOM 0 HA GLN A 31 4.010 -7.781 0.868 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.793 -9.439 -1.543 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.766 -8.140 -0.883 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.970 -10.695 0.546 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.556 -10.313 -0.097 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.489 -7.469 0.785 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.762 -7.531 2.529 1.00 0.00 H new ATOM 501 N VAL A 32 2.520 -7.510 -2.058 1.00 0.00 N ATOM 502 CA VAL A 32 1.987 -6.552 -3.033 1.00 0.00 C ATOM 503 C VAL A 32 1.083 -5.564 -2.307 1.00 0.00 C ATOM 504 O VAL A 32 1.160 -4.352 -2.515 1.00 0.00 O ATOM 505 CB VAL A 32 1.162 -7.262 -4.154 1.00 0.00 C ATOM 506 CG1 VAL A 32 0.635 -6.264 -5.177 1.00 0.00 C ATOM 507 CG2 VAL A 32 1.984 -8.333 -4.844 1.00 0.00 C ATOM 0 H VAL A 32 2.224 -8.474 -2.213 1.00 0.00 H new ATOM 0 HA VAL A 32 2.828 -6.043 -3.503 1.00 0.00 H new ATOM 0 HB VAL A 32 0.308 -7.737 -3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.066 -6.793 -5.942 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.011 -5.540 -4.680 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.472 -5.744 -5.642 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.384 -8.810 -5.619 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.866 -7.880 -5.296 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.294 -9.081 -4.114 1.00 0.00 H new ATOM 517 N CYS A 33 0.261 -6.098 -1.420 1.00 0.00 N ATOM 518 CA CYS A 33 -0.664 -5.306 -0.631 1.00 0.00 C ATOM 519 C CYS A 33 0.119 -4.282 0.207 1.00 0.00 C ATOM 520 O CYS A 33 -0.181 -3.073 0.197 1.00 0.00 O ATOM 521 CB CYS A 33 -1.454 -6.225 0.308 1.00 0.00 C ATOM 522 SG CYS A 33 -2.096 -7.762 -0.462 1.00 0.00 S ATOM 0 H CYS A 33 0.217 -7.099 -1.227 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.351 -4.785 -1.298 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.814 -6.498 1.147 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.294 -5.664 0.717 1.00 0.00 H new ATOM 527 N GLU A 34 1.153 -4.768 0.886 1.00 0.00 N ATOM 528 CA GLU A 34 1.958 -3.939 1.748 1.00 0.00 C ATOM 529 C GLU A 34 2.775 -2.929 0.948 1.00 0.00 C ATOM 530 O GLU A 34 2.831 -1.764 1.319 1.00 0.00 O ATOM 531 CB GLU A 34 2.852 -4.785 2.656 1.00 0.00 C ATOM 532 CG GLU A 34 3.623 -3.972 3.685 1.00 0.00 C ATOM 533 CD GLU A 34 4.452 -4.825 4.600 1.00 0.00 C ATOM 534 OE1 GLU A 34 3.915 -5.332 5.611 1.00 0.00 O ATOM 535 OE2 GLU A 34 5.658 -4.990 4.343 1.00 0.00 O ATOM 0 H GLU A 34 1.448 -5.744 0.848 1.00 0.00 H new ATOM 0 HA GLU A 34 1.279 -3.375 2.387 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.236 -5.520 3.174 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.560 -5.339 2.040 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.272 -3.264 3.169 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.921 -3.387 4.279 1.00 0.00 H new ATOM 542 N GLU A 35 3.378 -3.366 -0.154 1.00 0.00 N ATOM 543 CA GLU A 35 4.174 -2.481 -1.000 1.00 0.00 C ATOM 544 C GLU A 35 3.333 -1.379 -1.620 1.00 0.00 C ATOM 545 O GLU A 35 3.787 -0.245 -1.735 1.00 0.00 O ATOM 546 CB GLU A 35 4.986 -3.249 -2.045 1.00 0.00 C ATOM 547 CG GLU A 35 6.135 -4.050 -1.438 1.00 0.00 C ATOM 548 CD GLU A 35 6.929 -4.826 -2.454 1.00 0.00 C ATOM 549 OE1 GLU A 35 6.831 -6.073 -2.479 1.00 0.00 O ATOM 550 OE2 GLU A 35 7.689 -4.210 -3.243 1.00 0.00 O ATOM 0 H GLU A 35 3.330 -4.330 -0.483 1.00 0.00 H new ATOM 0 HA GLU A 35 4.898 -1.994 -0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.324 -3.926 -2.585 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.387 -2.545 -2.775 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.803 -3.369 -0.910 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.734 -4.741 -0.697 1.00 0.00 H new ATOM 557 N ARG A 36 2.089 -1.692 -1.963 1.00 0.00 N ATOM 558 CA ARG A 36 1.176 -0.678 -2.473 1.00 0.00 C ATOM 559 C ARG A 36 0.912 0.385 -1.403 1.00 0.00 C ATOM 560 O ARG A 36 0.759 1.578 -1.706 1.00 0.00 O ATOM 561 CB ARG A 36 -0.130 -1.298 -2.979 1.00 0.00 C ATOM 562 CG ARG A 36 -1.131 -0.271 -3.485 1.00 0.00 C ATOM 563 CD ARG A 36 -2.260 -0.911 -4.255 1.00 0.00 C ATOM 564 NE ARG A 36 -3.050 -1.873 -3.470 1.00 0.00 N ATOM 565 CZ ARG A 36 -3.802 -2.836 -4.033 1.00 0.00 C ATOM 566 NH1 ARG A 36 -3.800 -2.993 -5.350 1.00 0.00 N ATOM 567 NH2 ARG A 36 -4.563 -3.628 -3.289 1.00 0.00 N ATOM 0 H ARG A 36 1.693 -2.630 -1.898 1.00 0.00 H new ATOM 0 HA ARG A 36 1.650 -0.194 -3.327 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.097 -1.999 -3.782 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.587 -1.873 -2.173 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.538 0.285 -2.640 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.620 0.449 -4.124 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.923 -0.129 -4.625 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.849 -1.420 -5.127 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.026 -1.807 -2.452 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.228 -2.384 -5.935 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.370 -3.723 -5.777 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.583 -3.511 -2.276 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.128 -4.354 -3.730 1.00 0.00 H new ATOM 581 N LEU A 37 0.874 -0.034 -0.155 1.00 0.00 N ATOM 582 CA LEU A 37 0.740 0.910 0.928 1.00 0.00 C ATOM 583 C LEU A 37 2.034 1.606 1.254 1.00 0.00 C ATOM 584 O LEU A 37 2.020 2.718 1.756 1.00 0.00 O ATOM 585 CB LEU A 37 0.093 0.324 2.159 1.00 0.00 C ATOM 586 CG LEU A 37 -1.421 0.354 2.151 1.00 0.00 C ATOM 587 CD1 LEU A 37 -2.048 -0.518 1.072 1.00 0.00 C ATOM 588 CD2 LEU A 37 -1.979 0.122 3.527 1.00 0.00 C ATOM 0 H LEU A 37 0.933 -1.012 0.130 1.00 0.00 H new ATOM 0 HA LEU A 37 0.053 1.671 0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.422 -0.709 2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.449 0.867 3.034 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.714 1.364 1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.134 -0.444 1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.713 -0.180 0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.746 -1.555 1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.068 0.150 3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.654 -0.852 3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.621 0.900 4.201 1.00 0.00 H new ATOM 600 N ARG A 38 3.150 0.978 0.942 1.00 0.00 N ATOM 601 CA ARG A 38 4.441 1.631 1.106 1.00 0.00 C ATOM 602 C ARG A 38 4.503 2.801 0.139 1.00 0.00 C ATOM 603 O ARG A 38 5.052 3.838 0.443 1.00 0.00 O ATOM 604 CB ARG A 38 5.609 0.677 0.859 1.00 0.00 C ATOM 605 CG ARG A 38 5.676 -0.509 1.802 1.00 0.00 C ATOM 606 CD ARG A 38 6.887 -1.357 1.494 1.00 0.00 C ATOM 607 NE ARG A 38 6.934 -2.598 2.277 1.00 0.00 N ATOM 608 CZ ARG A 38 7.964 -3.453 2.270 1.00 0.00 C ATOM 609 NH1 ARG A 38 9.055 -3.176 1.560 1.00 0.00 N ATOM 610 NH2 ARG A 38 7.895 -4.577 2.977 1.00 0.00 N ATOM 0 H ARG A 38 3.194 0.027 0.577 1.00 0.00 H new ATOM 0 HA ARG A 38 4.533 1.973 2.137 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.546 0.306 -0.164 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.540 1.238 0.938 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.721 -0.160 2.834 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.771 -1.108 1.708 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.890 -1.604 0.432 1.00 0.00 H new ATOM 0 HD3 ARG A 38 7.789 -0.777 1.689 1.00 0.00 H new ATOM 0 HE ARG A 38 6.131 -2.823 2.864 1.00 0.00 H new ATOM 0 HH11 ARG A 38 9.107 -2.312 1.021 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.839 -3.828 1.555 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.059 -4.786 3.523 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.678 -5.230 2.974 1.00 0.00 H new ATOM 624 N GLU A 39 3.864 2.626 -1.010 1.00 0.00 N ATOM 625 CA GLU A 39 3.710 3.682 -2.005 1.00 0.00 C ATOM 626 C GLU A 39 2.861 4.843 -1.458 1.00 0.00 C ATOM 627 O GLU A 39 2.886 5.939 -1.990 1.00 0.00 O ATOM 628 CB GLU A 39 3.103 3.122 -3.288 1.00 0.00 C ATOM 629 CG GLU A 39 4.018 2.164 -4.029 1.00 0.00 C ATOM 630 CD GLU A 39 5.221 2.861 -4.615 1.00 0.00 C ATOM 631 OE1 GLU A 39 6.190 3.134 -3.884 1.00 0.00 O ATOM 632 OE2 GLU A 39 5.211 3.158 -5.835 1.00 0.00 O ATOM 0 H GLU A 39 3.434 1.741 -1.281 1.00 0.00 H new ATOM 0 HA GLU A 39 4.700 4.076 -2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.173 2.608 -3.045 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.846 3.950 -3.949 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.350 1.381 -3.347 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.459 1.675 -4.827 1.00 0.00 H new ATOM 639 N ARG A 40 2.094 4.586 -0.413 1.00 0.00 N ATOM 640 CA ARG A 40 1.340 5.632 0.247 1.00 0.00 C ATOM 641 C ARG A 40 2.219 6.298 1.295 1.00 0.00 C ATOM 642 O ARG A 40 2.317 7.516 1.351 1.00 0.00 O ATOM 643 CB ARG A 40 0.073 5.067 0.908 1.00 0.00 C ATOM 644 CG ARG A 40 -1.012 4.616 -0.057 1.00 0.00 C ATOM 645 CD ARG A 40 -1.658 5.801 -0.774 1.00 0.00 C ATOM 646 NE ARG A 40 -2.279 6.748 0.172 1.00 0.00 N ATOM 647 CZ ARG A 40 -3.591 7.033 0.250 1.00 0.00 C ATOM 648 NH1 ARG A 40 -4.469 6.419 -0.555 1.00 0.00 N ATOM 649 NH2 ARG A 40 -4.023 7.931 1.144 1.00 0.00 N ATOM 0 H ARG A 40 1.978 3.659 -0.004 1.00 0.00 H new ATOM 0 HA ARG A 40 1.032 6.365 -0.499 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.355 4.221 1.534 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.343 5.827 1.569 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.585 3.934 -0.793 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.775 4.060 0.487 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.905 6.321 -1.366 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.413 5.436 -1.470 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.659 7.229 0.824 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.144 5.730 -1.233 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.462 6.641 -0.490 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.358 8.396 1.762 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.017 8.150 1.207 1.00 0.00 H new ATOM 663 N GLU A 41 2.906 5.476 2.071 1.00 0.00 N ATOM 664 CA GLU A 41 3.737 5.943 3.182 1.00 0.00 C ATOM 665 C GLU A 41 4.960 6.699 2.684 1.00 0.00 C ATOM 666 O GLU A 41 5.318 7.750 3.220 1.00 0.00 O ATOM 667 CB GLU A 41 4.199 4.760 4.014 1.00 0.00 C ATOM 668 CG GLU A 41 3.078 3.856 4.462 1.00 0.00 C ATOM 669 CD GLU A 41 3.567 2.713 5.292 1.00 0.00 C ATOM 670 OE1 GLU A 41 4.214 1.796 4.747 1.00 0.00 O ATOM 671 OE2 GLU A 41 3.284 2.684 6.505 1.00 0.00 O ATOM 0 H GLU A 41 2.907 4.463 1.953 1.00 0.00 H new ATOM 0 HA GLU A 41 3.131 6.618 3.786 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.914 4.177 3.434 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.728 5.130 4.892 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.355 4.435 5.036 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.555 3.469 3.587 1.00 0.00 H new ATOM 678 N GLN A 42 5.591 6.163 1.674 1.00 0.00 N ATOM 679 CA GLN A 42 6.781 6.757 1.105 1.00 0.00 C ATOM 680 C GLN A 42 6.413 7.705 -0.021 1.00 0.00 C ATOM 681 O GLN A 42 7.225 8.528 -0.455 1.00 0.00 O ATOM 682 CB GLN A 42 7.716 5.669 0.591 1.00 0.00 C ATOM 683 CG GLN A 42 8.203 4.710 1.665 1.00 0.00 C ATOM 684 CD GLN A 42 9.183 3.687 1.133 1.00 0.00 C ATOM 685 OE1 GLN A 42 9.930 3.951 0.200 1.00 0.00 O ATOM 686 NE2 GLN A 42 9.182 2.518 1.707 1.00 0.00 N ATOM 0 H GLN A 42 5.297 5.299 1.218 1.00 0.00 H new ATOM 0 HA GLN A 42 7.293 7.324 1.883 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.202 5.099 -0.183 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.579 6.139 0.121 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.676 5.278 2.466 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.347 4.195 2.102 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.546 2.331 2.482 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.817 1.789 1.381 1.00 0.00 H new ATOM 695 N GLY A 43 5.185 7.587 -0.485 1.00 0.00 N ATOM 696 CA GLY A 43 4.696 8.424 -1.551 1.00 0.00 C ATOM 697 C GLY A 43 5.447 8.178 -2.831 1.00 0.00 C ATOM 698 O GLY A 43 5.439 7.064 -3.369 1.00 0.00 O ATOM 0 H GLY A 43 4.506 6.912 -0.134 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.634 8.233 -1.708 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.793 9.472 -1.266 1.00 0.00 H new ATOM 702 N ARG A 44 6.129 9.183 -3.294 1.00 0.00 N ATOM 703 CA ARG A 44 6.924 9.068 -4.492 1.00 0.00 C ATOM 704 C ARG A 44 8.372 9.421 -4.185 1.00 0.00 C ATOM 705 O ARG A 44 9.203 9.526 -5.081 1.00 0.00 O ATOM 706 CB ARG A 44 6.365 9.965 -5.603 1.00 0.00 C ATOM 707 CG ARG A 44 6.294 11.440 -5.241 1.00 0.00 C ATOM 708 CD ARG A 44 5.749 12.269 -6.385 1.00 0.00 C ATOM 709 NE ARG A 44 6.605 12.214 -7.578 1.00 0.00 N ATOM 710 CZ ARG A 44 6.388 12.900 -8.713 1.00 0.00 C ATOM 711 NH1 ARG A 44 5.339 13.717 -8.818 1.00 0.00 N ATOM 712 NH2 ARG A 44 7.221 12.767 -9.743 1.00 0.00 N ATOM 0 H ARG A 44 6.154 10.105 -2.858 1.00 0.00 H new ATOM 0 HA ARG A 44 6.883 8.038 -4.846 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.985 9.851 -6.492 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.365 9.619 -5.865 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.661 11.570 -4.363 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.288 11.798 -4.973 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.750 11.916 -6.642 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.647 13.305 -6.062 1.00 0.00 H new ATOM 0 HE ARG A 44 7.426 11.610 -7.542 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.696 13.824 -8.034 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.180 14.235 -9.682 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.025 12.144 -9.671 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.055 13.288 -10.604 1.00 0.00 H new ATOM 726 N GLY A 45 8.672 9.570 -2.919 1.00 0.00 N ATOM 727 CA GLY A 45 9.997 9.941 -2.533 1.00 0.00 C ATOM 728 C GLY A 45 10.015 10.725 -1.259 1.00 0.00 C ATOM 729 O GLY A 45 10.371 11.912 -1.246 1.00 0.00 O ATOM 0 H GLY A 45 8.017 9.440 -2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 45 10.604 9.043 -2.414 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.453 10.531 -3.328 1.00 0.00 H new ATOM 733 N GLU A 46 9.585 10.089 -0.184 1.00 0.00 N ATOM 734 CA GLU A 46 9.654 10.698 1.131 1.00 0.00 C ATOM 735 C GLU A 46 11.115 10.731 1.514 1.00 0.00 C ATOM 736 O GLU A 46 11.637 11.718 2.029 1.00 0.00 O ATOM 737 CB GLU A 46 8.858 9.878 2.155 1.00 0.00 C ATOM 738 CG GLU A 46 8.735 10.537 3.523 1.00 0.00 C ATOM 739 CD GLU A 46 7.913 11.801 3.482 1.00 0.00 C ATOM 740 OE1 GLU A 46 8.448 12.880 3.156 1.00 0.00 O ATOM 741 OE2 GLU A 46 6.690 11.737 3.769 1.00 0.00 O ATOM 0 H GLU A 46 9.184 9.151 -0.196 1.00 0.00 H new ATOM 0 HA GLU A 46 9.224 11.699 1.115 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.858 9.697 1.760 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.335 8.905 2.274 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.281 9.834 4.222 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.730 10.767 3.903 1.00 0.00 H new ATOM 748 N ASP A 47 11.753 9.662 1.171 1.00 0.00 N ATOM 749 CA ASP A 47 13.150 9.463 1.357 1.00 0.00 C ATOM 750 C ASP A 47 13.771 9.879 0.059 1.00 0.00 C ATOM 751 O ASP A 47 13.645 9.164 -0.943 1.00 0.00 O ATOM 752 CB ASP A 47 13.471 7.969 1.601 1.00 0.00 C ATOM 753 CG ASP A 47 12.679 7.319 2.724 1.00 0.00 C ATOM 754 OD1 ASP A 47 13.117 7.366 3.895 1.00 0.00 O ATOM 755 OD2 ASP A 47 11.612 6.707 2.446 1.00 0.00 O ATOM 0 H ASP A 47 11.291 8.865 0.732 1.00 0.00 H new ATOM 0 HA ASP A 47 13.518 10.024 2.216 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.286 7.417 0.679 1.00 0.00 H new ATOM 0 HB3 ASP A 47 14.534 7.872 1.822 1.00 0.00 H new ATOM 760 N VAL A 48 14.354 11.044 0.039 1.00 0.00 N ATOM 761 CA VAL A 48 14.916 11.607 -1.180 1.00 0.00 C ATOM 762 C VAL A 48 16.141 10.812 -1.635 1.00 0.00 C ATOM 763 O VAL A 48 17.264 11.037 -1.163 1.00 0.00 O ATOM 764 CB VAL A 48 15.284 13.110 -1.024 1.00 0.00 C ATOM 765 CG1 VAL A 48 15.756 13.696 -2.347 1.00 0.00 C ATOM 766 CG2 VAL A 48 14.103 13.904 -0.486 1.00 0.00 C ATOM 0 H VAL A 48 14.459 11.639 0.861 1.00 0.00 H new ATOM 0 HA VAL A 48 14.140 11.536 -1.942 1.00 0.00 H new ATOM 0 HB VAL A 48 16.102 13.179 -0.307 1.00 0.00 H new ATOM 0 HG11 VAL A 48 16.007 14.748 -2.210 1.00 0.00 H new ATOM 0 HG12 VAL A 48 16.637 13.154 -2.691 1.00 0.00 H new ATOM 0 HG13 VAL A 48 14.962 13.606 -3.089 1.00 0.00 H new ATOM 0 HG21 VAL A 48 14.385 14.952 -0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 48 13.263 13.819 -1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 48 13.814 13.511 0.489 1.00 0.00 H new ATOM 776 N ASP A 49 15.909 9.873 -2.504 1.00 0.00 N ATOM 777 CA ASP A 49 16.931 9.005 -3.043 1.00 0.00 C ATOM 778 C ASP A 49 16.361 8.332 -4.253 1.00 0.00 C ATOM 779 O ASP A 49 15.576 7.391 -4.096 1.00 0.00 O ATOM 780 CB ASP A 49 17.387 7.949 -2.021 1.00 0.00 C ATOM 781 CG ASP A 49 18.501 7.069 -2.554 1.00 0.00 C ATOM 782 OD1 ASP A 49 19.690 7.467 -2.464 1.00 0.00 O ATOM 783 OD2 ASP A 49 18.230 5.960 -3.046 1.00 0.00 O ATOM 784 OXT ASP A 49 16.648 8.777 -5.374 1.00 0.00 O ATOM 0 H ASP A 49 14.978 9.679 -2.872 1.00 0.00 H new ATOM 0 HA ASP A 49 17.809 9.599 -3.297 1.00 0.00 H new ATOM 0 HB2 ASP A 49 17.726 8.449 -1.113 1.00 0.00 H new ATOM 0 HB3 ASP A 49 16.537 7.326 -1.743 1.00 0.00 H new TER 789 ASP A 49