USER MOD reduce.3.24.130724 H: found=0, std=0, add=274, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 274 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 NoAdj-H: A 1 SER H1 : A 1 SER N : A 38 GLY C :(NH2R) USER MOD NoAdj-H: A 1 SER H2 : A 1 SER N : A 38 GLY C :(NH2R) USER MOD Single : A 1 SER N :NH3+ -154:sc= -0.0426 (180deg=-0.602) USER MOD Single : A 1 SER OG : rot 157:sc= 1.24 USER MOD Single : A 7 GLN : amide:sc= -1.09 K(o=-1.1,f=-4.1!) USER MOD Single : A 10 THR OG1 : rot -88:sc= 1.27 USER MOD Single : A 14 LYS NZ :NH3+ 167:sc= -0.0116 (180deg=-0.159) USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 29 THR OG1 : rot -80:sc= 1.18 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.362 10.781 1.631 1.00 0.00 N ATOM 2 CA SER A 1 3.364 10.448 0.638 1.00 0.00 C ATOM 3 C SER A 1 2.694 9.838 -0.603 1.00 0.00 C ATOM 4 O SER A 1 2.380 8.651 -0.622 1.00 0.00 O ATOM 5 CB SER A 1 4.378 9.468 1.242 1.00 0.00 C ATOM 6 OG SER A 1 5.422 9.176 0.337 1.00 0.00 O ATOM 0 H3 SER A 1 2.714 11.551 2.235 1.00 0.00 H new ATOM 0 HA SER A 1 3.888 11.354 0.333 1.00 0.00 H new ATOM 0 HB2 SER A 1 4.795 9.892 2.155 1.00 0.00 H new ATOM 0 HB3 SER A 1 3.870 8.545 1.523 1.00 0.00 H new ATOM 0 HG SER A 1 6.210 8.873 0.834 1.00 0.00 H new ATOM 12 N PRO A 2 2.461 10.656 -1.652 1.00 0.00 N ATOM 13 CA PRO A 2 1.770 10.217 -2.875 1.00 0.00 C ATOM 14 C PRO A 2 2.516 9.123 -3.639 1.00 0.00 C ATOM 15 O PRO A 2 1.904 8.163 -4.118 1.00 0.00 O ATOM 16 CB PRO A 2 1.690 11.493 -3.730 1.00 0.00 C ATOM 17 CG PRO A 2 1.927 12.613 -2.779 1.00 0.00 C ATOM 18 CD PRO A 2 2.847 12.072 -1.729 1.00 0.00 C ATOM 0 HA PRO A 2 0.802 9.776 -2.635 1.00 0.00 H new ATOM 0 HB2 PRO A 2 2.438 11.484 -4.523 1.00 0.00 H new ATOM 0 HB3 PRO A 2 0.716 11.584 -4.212 1.00 0.00 H new ATOM 0 HG2 PRO A 2 2.373 13.468 -3.286 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.991 12.956 -2.339 1.00 0.00 H new ATOM 0 HD2 PRO A 2 3.894 12.191 -2.009 1.00 0.00 H new ATOM 0 HD3 PRO A 2 2.713 12.580 -0.774 1.00 0.00 H new ATOM 26 N GLU A 3 3.832 9.259 -3.748 1.00 0.00 N ATOM 27 CA GLU A 3 4.624 8.304 -4.511 1.00 0.00 C ATOM 28 C GLU A 3 4.661 6.948 -3.823 1.00 0.00 C ATOM 29 O GLU A 3 4.432 5.916 -4.453 1.00 0.00 O ATOM 30 CB GLU A 3 6.044 8.825 -4.711 1.00 0.00 C ATOM 31 CG GLU A 3 6.895 7.947 -5.606 1.00 0.00 C ATOM 32 CD GLU A 3 8.320 8.423 -5.695 1.00 0.00 C ATOM 33 OE1 GLU A 3 8.557 9.493 -6.289 1.00 0.00 O ATOM 34 OE2 GLU A 3 9.216 7.725 -5.184 1.00 0.00 O ATOM 0 H GLU A 3 4.369 10.014 -3.322 1.00 0.00 H new ATOM 0 HA GLU A 3 4.150 8.182 -5.485 1.00 0.00 H new ATOM 0 HB2 GLU A 3 5.997 9.827 -5.138 1.00 0.00 H new ATOM 0 HB3 GLU A 3 6.529 8.915 -3.739 1.00 0.00 H new ATOM 0 HG2 GLU A 3 6.880 6.925 -5.227 1.00 0.00 H new ATOM 0 HG3 GLU A 3 6.460 7.923 -6.605 1.00 0.00 H new ATOM 41 N GLU A 4 4.904 6.958 -2.524 1.00 0.00 N ATOM 42 CA GLU A 4 4.973 5.725 -1.762 1.00 0.00 C ATOM 43 C GLU A 4 3.600 5.094 -1.646 1.00 0.00 C ATOM 44 O GLU A 4 3.465 3.872 -1.649 1.00 0.00 O ATOM 45 CB GLU A 4 5.579 5.975 -0.387 1.00 0.00 C ATOM 46 CG GLU A 4 7.024 6.444 -0.443 1.00 0.00 C ATOM 47 CD GLU A 4 7.588 6.761 0.919 1.00 0.00 C ATOM 48 OE1 GLU A 4 7.475 7.925 1.357 1.00 0.00 O ATOM 49 OE2 GLU A 4 8.149 5.848 1.560 1.00 0.00 O ATOM 0 H GLU A 4 5.056 7.805 -1.976 1.00 0.00 H new ATOM 0 HA GLU A 4 5.622 5.028 -2.292 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.982 6.722 0.135 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.525 5.057 0.199 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.634 5.673 -0.913 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.089 7.331 -1.074 1.00 0.00 H new ATOM 56 N ARG A 5 2.576 5.936 -1.565 1.00 0.00 N ATOM 57 CA ARG A 5 1.213 5.471 -1.506 1.00 0.00 C ATOM 58 C ARG A 5 0.870 4.725 -2.783 1.00 0.00 C ATOM 59 O ARG A 5 0.292 3.644 -2.742 1.00 0.00 O ATOM 60 CB ARG A 5 0.266 6.648 -1.326 1.00 0.00 C ATOM 61 CG ARG A 5 -1.159 6.243 -1.066 1.00 0.00 C ATOM 62 CD ARG A 5 -2.079 7.444 -1.070 1.00 0.00 C ATOM 63 NE ARG A 5 -3.487 7.060 -0.989 1.00 0.00 N ATOM 64 CZ ARG A 5 -4.473 7.686 -1.635 1.00 0.00 C ATOM 65 NH1 ARG A 5 -4.210 8.736 -2.404 1.00 0.00 N ATOM 66 NH2 ARG A 5 -5.719 7.261 -1.509 1.00 0.00 N ATOM 0 H ARG A 5 2.675 6.951 -1.539 1.00 0.00 H new ATOM 0 HA ARG A 5 1.105 4.798 -0.656 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.617 7.262 -0.497 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.300 7.271 -2.220 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.482 5.532 -1.826 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -1.225 5.734 -0.104 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -1.832 8.092 -0.229 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.914 8.023 -1.978 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.732 6.263 -0.401 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -3.251 9.068 -2.503 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -4.967 9.211 -2.895 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.926 6.455 -0.918 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -6.473 7.739 -2.002 1.00 0.00 H new ATOM 80 N ALA A 6 1.251 5.305 -3.916 1.00 0.00 N ATOM 81 CA ALA A 6 1.004 4.696 -5.212 1.00 0.00 C ATOM 82 C ALA A 6 1.714 3.356 -5.323 1.00 0.00 C ATOM 83 O ALA A 6 1.145 2.384 -5.814 1.00 0.00 O ATOM 84 CB ALA A 6 1.451 5.625 -6.328 1.00 0.00 C ATOM 0 H ALA A 6 1.735 6.202 -3.960 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.068 4.524 -5.309 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.259 5.154 -7.292 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.897 6.562 -6.265 1.00 0.00 H new ATOM 0 HB3 ALA A 6 2.518 5.826 -6.228 1.00 0.00 H new ATOM 90 N GLN A 7 2.951 3.305 -4.845 1.00 0.00 N ATOM 91 CA GLN A 7 3.743 2.079 -4.883 1.00 0.00 C ATOM 92 C GLN A 7 3.095 0.986 -4.033 1.00 0.00 C ATOM 93 O GLN A 7 2.987 -0.161 -4.456 1.00 0.00 O ATOM 94 CB GLN A 7 5.159 2.354 -4.379 1.00 0.00 C ATOM 95 CG GLN A 7 5.953 3.310 -5.254 1.00 0.00 C ATOM 96 CD GLN A 7 7.208 3.813 -4.571 1.00 0.00 C ATOM 97 OE1 GLN A 7 7.250 3.947 -3.349 1.00 0.00 O ATOM 98 NE2 GLN A 7 8.235 4.086 -5.345 1.00 0.00 N ATOM 0 H GLN A 7 3.430 4.101 -4.425 1.00 0.00 H new ATOM 0 HA GLN A 7 3.788 1.734 -5.916 1.00 0.00 H new ATOM 0 HB2 GLN A 7 5.101 2.764 -3.371 1.00 0.00 H new ATOM 0 HB3 GLN A 7 5.698 1.409 -4.309 1.00 0.00 H new ATOM 0 HG2 GLN A 7 6.225 2.808 -6.182 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.324 4.159 -5.523 1.00 0.00 H new ATOM 0 HE21 GLN A 7 8.160 3.962 -6.355 1.00 0.00 H new ATOM 0 HE22 GLN A 7 9.107 4.422 -4.936 1.00 0.00 H new ATOM 107 N LEU A 8 2.653 1.356 -2.848 1.00 0.00 N ATOM 108 CA LEU A 8 2.011 0.417 -1.940 1.00 0.00 C ATOM 109 C LEU A 8 0.632 -0.007 -2.450 1.00 0.00 C ATOM 110 O LEU A 8 0.261 -1.178 -2.368 1.00 0.00 O ATOM 111 CB LEU A 8 1.920 1.024 -0.552 1.00 0.00 C ATOM 112 CG LEU A 8 3.267 1.225 0.143 1.00 0.00 C ATOM 113 CD1 LEU A 8 3.125 2.172 1.303 1.00 0.00 C ATOM 114 CD2 LEU A 8 3.824 -0.105 0.617 1.00 0.00 C ATOM 0 H LEU A 8 2.726 2.307 -2.486 1.00 0.00 H new ATOM 0 HA LEU A 8 2.621 -0.485 -1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.415 1.987 -0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.296 0.383 0.071 1.00 0.00 H new ATOM 0 HG LEU A 8 3.963 1.657 -0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.093 2.303 1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.765 3.136 0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.414 1.764 2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.783 0.057 1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.127 -0.561 1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.962 -0.767 -0.238 1.00 0.00 H new ATOM 126 N LEU A 9 -0.114 0.946 -2.988 1.00 0.00 N ATOM 127 CA LEU A 9 -1.443 0.675 -3.525 1.00 0.00 C ATOM 128 C LEU A 9 -1.388 -0.211 -4.764 1.00 0.00 C ATOM 129 O LEU A 9 -2.269 -1.044 -4.979 1.00 0.00 O ATOM 130 CB LEU A 9 -2.176 1.968 -3.822 1.00 0.00 C ATOM 131 CG LEU A 9 -2.930 2.566 -2.645 1.00 0.00 C ATOM 132 CD1 LEU A 9 -3.253 4.007 -2.912 1.00 0.00 C ATOM 133 CD2 LEU A 9 -4.211 1.782 -2.389 1.00 0.00 C ATOM 0 H LEU A 9 0.179 1.920 -3.065 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.996 0.129 -2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.455 2.702 -4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.882 1.789 -4.633 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.297 2.507 -1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.793 4.423 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.329 4.565 -3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.872 4.081 -3.806 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.743 2.219 -1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.844 1.820 -3.275 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.964 0.744 -2.164 1.00 0.00 H new ATOM 145 N THR A 10 -0.370 -0.028 -5.587 1.00 0.00 N ATOM 146 CA THR A 10 -0.206 -0.869 -6.757 1.00 0.00 C ATOM 147 C THR A 10 0.234 -2.264 -6.336 1.00 0.00 C ATOM 148 O THR A 10 -0.195 -3.257 -6.908 1.00 0.00 O ATOM 149 CB THR A 10 0.799 -0.275 -7.764 1.00 0.00 C ATOM 150 OG1 THR A 10 1.968 0.174 -7.076 1.00 0.00 O ATOM 151 CG2 THR A 10 0.178 0.886 -8.523 1.00 0.00 C ATOM 0 H THR A 10 0.347 0.687 -5.468 1.00 0.00 H new ATOM 0 HA THR A 10 -1.172 -0.926 -7.259 1.00 0.00 H new ATOM 0 HB THR A 10 1.071 -1.053 -8.477 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.838 1.099 -6.780 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.905 1.290 -9.228 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.700 0.537 -9.067 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.117 1.665 -7.819 1.00 0.00 H new ATOM 159 N ALA A 11 1.073 -2.322 -5.305 1.00 0.00 N ATOM 160 CA ALA A 11 1.532 -3.585 -4.745 1.00 0.00 C ATOM 161 C ALA A 11 0.350 -4.373 -4.185 1.00 0.00 C ATOM 162 O ALA A 11 0.290 -5.597 -4.310 1.00 0.00 O ATOM 163 CB ALA A 11 2.567 -3.327 -3.673 1.00 0.00 C ATOM 0 H ALA A 11 1.451 -1.498 -4.838 1.00 0.00 H new ATOM 0 HA ALA A 11 1.994 -4.180 -5.533 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.906 -4.276 -3.258 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.415 -2.797 -4.106 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.127 -2.722 -2.881 1.00 0.00 H new ATOM 169 N ALA A 12 -0.597 -3.650 -3.588 1.00 0.00 N ATOM 170 CA ALA A 12 -1.823 -4.240 -3.056 1.00 0.00 C ATOM 171 C ALA A 12 -2.603 -4.908 -4.182 1.00 0.00 C ATOM 172 O ALA A 12 -3.111 -6.022 -4.033 1.00 0.00 O ATOM 173 CB ALA A 12 -2.665 -3.148 -2.428 1.00 0.00 C ATOM 0 H ALA A 12 -0.535 -2.640 -3.460 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.574 -4.989 -2.304 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.582 -3.580 -2.028 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.105 -2.675 -1.621 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.914 -2.402 -3.182 1.00 0.00 H new ATOM 179 N GLU A 13 -2.659 -4.226 -5.316 1.00 0.00 N ATOM 180 CA GLU A 13 -3.351 -4.724 -6.494 1.00 0.00 C ATOM 181 C GLU A 13 -2.594 -5.915 -7.091 1.00 0.00 C ATOM 182 O GLU A 13 -3.193 -6.912 -7.497 1.00 0.00 O ATOM 183 CB GLU A 13 -3.458 -3.600 -7.533 1.00 0.00 C ATOM 184 CG GLU A 13 -4.313 -3.939 -8.740 1.00 0.00 C ATOM 185 CD GLU A 13 -5.758 -4.161 -8.373 1.00 0.00 C ATOM 186 OE1 GLU A 13 -6.455 -3.175 -8.073 1.00 0.00 O ATOM 187 OE2 GLU A 13 -6.209 -5.320 -8.386 1.00 0.00 O ATOM 0 H GLU A 13 -2.226 -3.312 -5.445 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.350 -5.054 -6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.869 -2.714 -7.050 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.456 -3.341 -7.875 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.245 -3.131 -9.469 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.921 -4.835 -9.220 1.00 0.00 H new ATOM 194 N LYS A 14 -1.274 -5.804 -7.119 1.00 0.00 N ATOM 195 CA LYS A 14 -0.419 -6.845 -7.674 1.00 0.00 C ATOM 196 C LYS A 14 -0.479 -8.122 -6.844 1.00 0.00 C ATOM 197 O LYS A 14 -0.517 -9.220 -7.392 1.00 0.00 O ATOM 198 CB LYS A 14 1.026 -6.349 -7.797 1.00 0.00 C ATOM 199 CG LYS A 14 1.211 -5.218 -8.804 1.00 0.00 C ATOM 200 CD LYS A 14 0.593 -5.561 -10.153 1.00 0.00 C ATOM 201 CE LYS A 14 0.860 -4.477 -11.188 1.00 0.00 C ATOM 202 NZ LYS A 14 2.297 -4.370 -11.528 1.00 0.00 N ATOM 0 H LYS A 14 -0.767 -4.995 -6.760 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.792 -7.081 -8.671 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.367 -6.010 -6.819 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.663 -7.185 -8.085 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.756 -4.307 -8.416 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.274 -5.014 -8.932 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.997 -6.509 -10.507 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.482 -5.696 -10.037 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.290 -4.692 -12.092 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.506 -3.519 -10.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.409 -3.786 -12.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.809 -3.930 -10.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.684 -5.319 -11.705 1.00 0.00 H new ATOM 216 N ALA A 15 -0.498 -7.974 -5.527 1.00 0.00 N ATOM 217 CA ALA A 15 -0.577 -9.121 -4.629 1.00 0.00 C ATOM 218 C ALA A 15 -1.895 -9.853 -4.820 1.00 0.00 C ATOM 219 O ALA A 15 -1.959 -11.080 -4.721 1.00 0.00 O ATOM 220 CB ALA A 15 -0.422 -8.677 -3.190 1.00 0.00 C ATOM 0 H ALA A 15 -0.460 -7.071 -5.055 1.00 0.00 H new ATOM 0 HA ALA A 15 0.237 -9.805 -4.869 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.483 -9.545 -2.533 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.546 -8.192 -3.061 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.217 -7.974 -2.938 1.00 0.00 H new ATOM 226 N ASP A 16 -2.942 -9.092 -5.099 1.00 0.00 N ATOM 227 CA ASP A 16 -4.259 -9.656 -5.362 1.00 0.00 C ATOM 228 C ASP A 16 -4.233 -10.444 -6.654 1.00 0.00 C ATOM 229 O ASP A 16 -4.811 -11.529 -6.754 1.00 0.00 O ATOM 230 CB ASP A 16 -5.293 -8.547 -5.462 1.00 0.00 C ATOM 231 CG ASP A 16 -6.676 -9.069 -5.779 1.00 0.00 C ATOM 232 OD1 ASP A 16 -7.236 -9.831 -4.960 1.00 0.00 O ATOM 233 OD2 ASP A 16 -7.219 -8.704 -6.851 1.00 0.00 O ATOM 0 H ASP A 16 -2.905 -8.074 -5.150 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.527 -10.320 -4.540 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.323 -7.997 -4.521 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.989 -7.841 -6.235 1.00 0.00 H new ATOM 238 N GLU A 17 -3.544 -9.894 -7.639 1.00 0.00 N ATOM 239 CA GLU A 17 -3.386 -10.526 -8.923 1.00 0.00 C ATOM 240 C GLU A 17 -2.578 -11.822 -8.783 1.00 0.00 C ATOM 241 O GLU A 17 -2.752 -12.764 -9.551 1.00 0.00 O ATOM 242 CB GLU A 17 -2.692 -9.563 -9.885 1.00 0.00 C ATOM 243 CG GLU A 17 -2.516 -10.115 -11.274 1.00 0.00 C ATOM 244 CD GLU A 17 -3.833 -10.346 -11.982 1.00 0.00 C ATOM 245 OE1 GLU A 17 -4.365 -9.388 -12.580 1.00 0.00 O ATOM 246 OE2 GLU A 17 -4.346 -11.484 -11.948 1.00 0.00 O ATOM 0 H GLU A 17 -3.078 -8.990 -7.563 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.369 -10.779 -9.322 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.270 -8.641 -9.941 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.714 -9.302 -9.481 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.909 -9.425 -11.860 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.967 -11.055 -11.220 1.00 0.00 H new ATOM 253 N LEU A 18 -1.711 -11.859 -7.781 1.00 0.00 N ATOM 254 CA LEU A 18 -0.892 -13.031 -7.509 1.00 0.00 C ATOM 255 C LEU A 18 -1.676 -14.062 -6.705 1.00 0.00 C ATOM 256 O LEU A 18 -1.243 -15.208 -6.547 1.00 0.00 O ATOM 257 CB LEU A 18 0.361 -12.628 -6.740 1.00 0.00 C ATOM 258 CG LEU A 18 1.314 -11.687 -7.469 1.00 0.00 C ATOM 259 CD1 LEU A 18 2.517 -11.398 -6.609 1.00 0.00 C ATOM 260 CD2 LEU A 18 1.747 -12.278 -8.800 1.00 0.00 C ATOM 0 H LEU A 18 -1.556 -11.083 -7.138 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.604 -13.475 -8.462 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.055 -12.154 -5.807 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.907 -13.533 -6.473 1.00 0.00 H new ATOM 0 HG LEU A 18 0.788 -10.753 -7.667 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.191 -10.725 -7.140 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.195 -10.930 -5.679 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.037 -12.330 -6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.426 -11.588 -9.301 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.255 -13.227 -8.629 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.871 -12.444 -9.427 1.00 0.00 H new ATOM 272 N GLY A 19 -2.828 -13.653 -6.204 1.00 0.00 N ATOM 273 CA GLY A 19 -3.646 -14.539 -5.410 1.00 0.00 C ATOM 274 C GLY A 19 -3.092 -14.712 -4.016 1.00 0.00 C ATOM 275 O GLY A 19 -3.193 -15.788 -3.424 1.00 0.00 O ATOM 0 H GLY A 19 -3.213 -12.717 -6.334 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.660 -14.144 -5.352 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.710 -15.511 -5.899 1.00 0.00 H new ATOM 279 N CYS A 20 -2.492 -13.658 -3.498 1.00 0.00 N ATOM 280 CA CYS A 20 -1.922 -13.679 -2.168 1.00 0.00 C ATOM 281 C CYS A 20 -2.681 -12.715 -1.258 1.00 0.00 C ATOM 282 O CYS A 20 -2.360 -11.525 -1.194 1.00 0.00 O ATOM 283 CB CYS A 20 -0.438 -13.310 -2.225 1.00 0.00 C ATOM 284 SG CYS A 20 0.542 -14.362 -3.324 1.00 0.00 S ATOM 0 H CYS A 20 -2.387 -12.768 -3.985 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.012 -14.685 -1.759 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.344 -12.274 -2.552 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.022 -13.366 -1.219 1.00 0.00 H new ATOM 0 HG CYS A 20 1.782 -13.971 -3.307 1.00 0.00 H new ATOM 290 N PRO A 21 -3.713 -13.213 -0.554 1.00 0.00 N ATOM 291 CA PRO A 21 -4.555 -12.387 0.312 1.00 0.00 C ATOM 292 C PRO A 21 -3.788 -11.793 1.491 1.00 0.00 C ATOM 293 O PRO A 21 -4.000 -10.632 1.851 1.00 0.00 O ATOM 294 CB PRO A 21 -5.644 -13.354 0.807 1.00 0.00 C ATOM 295 CG PRO A 21 -5.568 -14.528 -0.110 1.00 0.00 C ATOM 296 CD PRO A 21 -4.140 -14.618 -0.548 1.00 0.00 C ATOM 0 HA PRO A 21 -4.951 -11.526 -0.226 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.468 -13.650 1.841 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.629 -12.889 0.772 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.878 -15.441 0.398 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.231 -14.398 -0.965 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.543 -15.219 0.138 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -4.047 -15.073 -1.534 1.00 0.00 H new ATOM 304 N GLU A 22 -2.896 -12.578 2.083 1.00 0.00 N ATOM 305 CA GLU A 22 -2.112 -12.106 3.218 1.00 0.00 C ATOM 306 C GLU A 22 -1.152 -11.007 2.783 1.00 0.00 C ATOM 307 O GLU A 22 -1.028 -9.982 3.449 1.00 0.00 O ATOM 308 CB GLU A 22 -1.350 -13.260 3.870 1.00 0.00 C ATOM 309 CG GLU A 22 -0.609 -12.869 5.136 1.00 0.00 C ATOM 310 CD GLU A 22 -0.111 -14.066 5.907 1.00 0.00 C ATOM 311 OE1 GLU A 22 1.030 -14.507 5.667 1.00 0.00 O ATOM 312 OE2 GLU A 22 -0.865 -14.580 6.764 1.00 0.00 O ATOM 0 H GLU A 22 -2.698 -13.537 1.799 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.798 -11.692 3.958 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.052 -14.060 4.104 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.636 -13.663 3.152 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.236 -12.231 4.876 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.269 -12.280 5.772 1.00 0.00 H new ATOM 319 N GLU A 23 -0.507 -11.210 1.641 1.00 0.00 N ATOM 320 CA GLU A 23 0.417 -10.222 1.099 1.00 0.00 C ATOM 321 C GLU A 23 -0.350 -8.961 0.748 1.00 0.00 C ATOM 322 O GLU A 23 0.091 -7.847 1.030 1.00 0.00 O ATOM 323 CB GLU A 23 1.107 -10.774 -0.153 1.00 0.00 C ATOM 324 CG GLU A 23 2.185 -9.867 -0.729 1.00 0.00 C ATOM 325 CD GLU A 23 3.378 -9.724 0.188 1.00 0.00 C ATOM 326 OE1 GLU A 23 4.004 -10.757 0.512 1.00 0.00 O ATOM 327 OE2 GLU A 23 3.706 -8.586 0.577 1.00 0.00 O ATOM 0 H GLU A 23 -0.607 -12.051 1.072 1.00 0.00 H new ATOM 0 HA GLU A 23 1.178 -9.994 1.845 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.552 -11.739 0.088 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.353 -10.953 -0.919 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.515 -10.266 -1.688 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.760 -8.882 -0.922 1.00 0.00 H new ATOM 334 N ARG A 24 -1.520 -9.154 0.153 1.00 0.00 N ATOM 335 CA ARG A 24 -2.381 -8.056 -0.225 1.00 0.00 C ATOM 336 C ARG A 24 -2.789 -7.253 1.002 1.00 0.00 C ATOM 337 O ARG A 24 -2.777 -6.036 0.978 1.00 0.00 O ATOM 338 CB ARG A 24 -3.627 -8.582 -0.937 1.00 0.00 C ATOM 339 CG ARG A 24 -4.513 -7.491 -1.493 1.00 0.00 C ATOM 340 CD ARG A 24 -5.844 -8.036 -1.967 1.00 0.00 C ATOM 341 NE ARG A 24 -6.683 -6.984 -2.538 1.00 0.00 N ATOM 342 CZ ARG A 24 -8.018 -7.002 -2.555 1.00 0.00 C ATOM 343 NH1 ARG A 24 -8.683 -8.036 -2.050 1.00 0.00 N ATOM 344 NH2 ARG A 24 -8.685 -5.984 -3.084 1.00 0.00 N ATOM 0 H ARG A 24 -1.892 -10.075 -0.078 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.830 -7.405 -0.904 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.320 -9.239 -1.751 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.205 -9.188 -0.239 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.682 -6.734 -0.727 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.006 -6.998 -2.322 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.675 -8.813 -2.713 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.365 -8.504 -1.132 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.215 -6.178 -2.953 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.174 -8.822 -1.646 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.703 -8.043 -2.066 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.178 -5.191 -3.476 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.705 -5.995 -3.098 1.00 0.00 H new ATOM 358 N ALA A 25 -3.131 -7.955 2.077 1.00 0.00 N ATOM 359 CA ALA A 25 -3.549 -7.316 3.321 1.00 0.00 C ATOM 360 C ALA A 25 -2.444 -6.429 3.882 1.00 0.00 C ATOM 361 O ALA A 25 -2.694 -5.303 4.327 1.00 0.00 O ATOM 362 CB ALA A 25 -3.949 -8.371 4.341 1.00 0.00 C ATOM 0 H ALA A 25 -3.127 -8.974 2.112 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.410 -6.684 3.106 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.259 -7.884 5.266 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.776 -8.963 3.947 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.099 -9.023 4.542 1.00 0.00 H new ATOM 368 N GLN A 26 -1.223 -6.933 3.844 1.00 0.00 N ATOM 369 CA GLN A 26 -0.068 -6.196 4.338 1.00 0.00 C ATOM 370 C GLN A 26 0.188 -4.954 3.481 1.00 0.00 C ATOM 371 O GLN A 26 0.483 -3.877 3.996 1.00 0.00 O ATOM 372 CB GLN A 26 1.163 -7.101 4.347 1.00 0.00 C ATOM 373 CG GLN A 26 0.983 -8.360 5.182 1.00 0.00 C ATOM 374 CD GLN A 26 2.178 -9.289 5.123 1.00 0.00 C ATOM 375 OE1 GLN A 26 2.896 -9.341 4.125 1.00 0.00 O ATOM 376 NE2 GLN A 26 2.394 -10.033 6.186 1.00 0.00 N ATOM 0 H GLN A 26 -1.003 -7.857 3.473 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.273 -5.869 5.357 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.403 -7.385 3.322 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.015 -6.539 4.730 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.801 -8.078 6.219 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.098 -8.894 4.837 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.775 -9.960 6.994 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.180 -10.683 6.203 1.00 0.00 H new ATOM 385 N LEU A 27 0.050 -5.112 2.181 1.00 0.00 N ATOM 386 CA LEU A 27 0.254 -4.021 1.248 1.00 0.00 C ATOM 387 C LEU A 27 -0.902 -3.014 1.290 1.00 0.00 C ATOM 388 O LEU A 27 -0.693 -1.808 1.164 1.00 0.00 O ATOM 389 CB LEU A 27 0.449 -4.579 -0.143 1.00 0.00 C ATOM 390 CG LEU A 27 1.745 -5.364 -0.325 1.00 0.00 C ATOM 391 CD1 LEU A 27 1.647 -6.257 -1.522 1.00 0.00 C ATOM 392 CD2 LEU A 27 2.924 -4.421 -0.474 1.00 0.00 C ATOM 0 H LEU A 27 -0.206 -5.996 1.742 1.00 0.00 H new ATOM 0 HA LEU A 27 1.151 -3.476 1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.393 -5.228 -0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.432 -3.757 -0.858 1.00 0.00 H new ATOM 0 HG LEU A 27 1.902 -5.978 0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.578 -6.811 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.823 -6.957 -1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.468 -5.654 -2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.839 -5.000 -0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.772 -3.784 -1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.009 -3.801 0.419 1.00 0.00 H new ATOM 404 N LEU A 28 -2.117 -3.514 1.483 1.00 0.00 N ATOM 405 CA LEU A 28 -3.297 -2.661 1.576 1.00 0.00 C ATOM 406 C LEU A 28 -3.258 -1.793 2.825 1.00 0.00 C ATOM 407 O LEU A 28 -3.676 -0.636 2.800 1.00 0.00 O ATOM 408 CB LEU A 28 -4.567 -3.490 1.551 1.00 0.00 C ATOM 409 CG LEU A 28 -5.028 -3.941 0.173 1.00 0.00 C ATOM 410 CD1 LEU A 28 -6.122 -4.959 0.305 1.00 0.00 C ATOM 411 CD2 LEU A 28 -5.520 -2.752 -0.639 1.00 0.00 C ATOM 0 H LEU A 28 -2.312 -4.511 1.579 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.294 -2.003 0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.416 -4.373 2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.367 -2.911 2.011 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.182 -4.392 -0.346 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.446 -5.276 -0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.751 -5.822 0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.965 -4.520 0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.846 -3.092 -1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.356 -2.280 -0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.711 -2.031 -0.755 1.00 0.00 H new ATOM 423 N THR A 29 -2.761 -2.350 3.916 1.00 0.00 N ATOM 424 CA THR A 29 -2.619 -1.592 5.144 1.00 0.00 C ATOM 425 C THR A 29 -1.496 -0.562 4.999 1.00 0.00 C ATOM 426 O THR A 29 -1.548 0.522 5.578 1.00 0.00 O ATOM 427 CB THR A 29 -2.374 -2.511 6.359 1.00 0.00 C ATOM 428 OG1 THR A 29 -1.459 -3.559 6.009 1.00 0.00 O ATOM 429 CG2 THR A 29 -3.681 -3.121 6.837 1.00 0.00 C ATOM 0 H THR A 29 -2.451 -3.320 3.975 1.00 0.00 H new ATOM 0 HA THR A 29 -3.556 -1.066 5.326 1.00 0.00 H new ATOM 0 HB THR A 29 -1.947 -1.910 7.162 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.938 -4.263 5.524 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.489 -3.766 7.694 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.369 -2.327 7.127 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.124 -3.708 6.033 1.00 0.00 H new ATOM 437 N ALA A 30 -0.489 -0.913 4.206 1.00 0.00 N ATOM 438 CA ALA A 30 0.606 -0.009 3.892 1.00 0.00 C ATOM 439 C ALA A 30 0.086 1.194 3.099 1.00 0.00 C ATOM 440 O ALA A 30 0.557 2.318 3.272 1.00 0.00 O ATOM 441 CB ALA A 30 1.680 -0.744 3.127 1.00 0.00 C ATOM 0 H ALA A 30 -0.411 -1.830 3.765 1.00 0.00 H new ATOM 0 HA ALA A 30 1.043 0.362 4.819 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.496 -0.059 2.896 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.058 -1.568 3.732 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.262 -1.136 2.200 1.00 0.00 H new ATOM 447 N ALA A 31 -0.911 0.939 2.244 1.00 0.00 N ATOM 448 CA ALA A 31 -1.571 1.987 1.463 1.00 0.00 C ATOM 449 C ALA A 31 -2.186 3.021 2.404 1.00 0.00 C ATOM 450 O ALA A 31 -2.128 4.224 2.152 1.00 0.00 O ATOM 451 CB ALA A 31 -2.660 1.364 0.614 1.00 0.00 C ATOM 0 H ALA A 31 -1.281 0.003 2.076 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.840 2.478 0.821 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.155 2.140 0.030 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.220 0.628 -0.059 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.389 0.875 1.259 1.00 0.00 H new ATOM 457 N GLU A 32 -2.753 2.529 3.505 1.00 0.00 N ATOM 458 CA GLU A 32 -3.368 3.379 4.518 1.00 0.00 C ATOM 459 C GLU A 32 -2.288 4.176 5.255 1.00 0.00 C ATOM 460 O GLU A 32 -2.454 5.365 5.542 1.00 0.00 O ATOM 461 CB GLU A 32 -4.133 2.506 5.517 1.00 0.00 C ATOM 462 CG GLU A 32 -5.084 3.268 6.422 1.00 0.00 C ATOM 463 CD GLU A 32 -6.293 3.779 5.680 1.00 0.00 C ATOM 464 OE1 GLU A 32 -7.166 2.955 5.327 1.00 0.00 O ATOM 465 OE2 GLU A 32 -6.383 5.001 5.446 1.00 0.00 O ATOM 0 H GLU A 32 -2.798 1.532 3.717 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.057 4.073 4.036 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.700 1.756 4.965 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.414 1.970 6.136 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.407 2.618 7.235 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.557 4.108 6.875 1.00 0.00 H new ATOM 472 N LYS A 33 -1.171 3.506 5.537 1.00 0.00 N ATOM 473 CA LYS A 33 -0.041 4.126 6.217 1.00 0.00 C ATOM 474 C LYS A 33 0.523 5.278 5.392 1.00 0.00 C ATOM 475 O LYS A 33 0.722 6.382 5.900 1.00 0.00 O ATOM 476 CB LYS A 33 1.062 3.089 6.483 1.00 0.00 C ATOM 477 CG LYS A 33 0.748 2.101 7.599 1.00 0.00 C ATOM 478 CD LYS A 33 1.930 1.170 7.849 1.00 0.00 C ATOM 479 CE LYS A 33 1.730 0.316 9.096 1.00 0.00 C ATOM 480 NZ LYS A 33 0.603 -0.636 8.958 1.00 0.00 N ATOM 0 H LYS A 33 -1.027 2.524 5.301 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.397 4.519 7.169 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.248 2.532 5.565 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.985 3.614 6.730 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.507 2.643 8.513 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.132 1.515 7.335 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.070 0.522 6.984 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.840 1.760 7.956 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.646 -0.238 9.304 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.549 0.966 9.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.509 -1.192 9.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.277 -0.109 8.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.785 -1.276 8.158 1.00 0.00 H new ATOM 494 N ALA A 34 0.764 5.015 4.117 1.00 0.00 N ATOM 495 CA ALA A 34 1.317 6.013 3.216 1.00 0.00 C ATOM 496 C ALA A 34 0.354 7.173 3.014 1.00 0.00 C ATOM 497 O ALA A 34 0.777 8.324 2.872 1.00 0.00 O ATOM 498 CB ALA A 34 1.679 5.385 1.892 1.00 0.00 C ATOM 0 H ALA A 34 0.583 4.111 3.681 1.00 0.00 H new ATOM 0 HA ALA A 34 2.223 6.411 3.673 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.091 6.146 1.229 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.420 4.602 2.051 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.787 4.953 1.438 1.00 0.00 H new ATOM 504 N ASP A 35 -0.939 6.870 2.997 1.00 0.00 N ATOM 505 CA ASP A 35 -1.959 7.901 2.843 1.00 0.00 C ATOM 506 C ASP A 35 -1.906 8.881 4.005 1.00 0.00 C ATOM 507 O ASP A 35 -1.904 10.096 3.807 1.00 0.00 O ATOM 508 CB ASP A 35 -3.351 7.277 2.747 1.00 0.00 C ATOM 509 CG ASP A 35 -4.452 8.317 2.673 1.00 0.00 C ATOM 510 OD1 ASP A 35 -4.698 8.856 1.573 1.00 0.00 O ATOM 511 OD2 ASP A 35 -5.084 8.592 3.713 1.00 0.00 O ATOM 0 H ASP A 35 -1.305 5.922 3.088 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.757 8.441 1.918 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.399 6.639 1.865 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.519 6.637 3.613 1.00 0.00 H new ATOM 516 N GLU A 36 -1.827 8.350 5.220 1.00 0.00 N ATOM 517 CA GLU A 36 -1.739 9.173 6.407 1.00 0.00 C ATOM 518 C GLU A 36 -0.409 9.927 6.433 1.00 0.00 C ATOM 519 O GLU A 36 -0.302 11.012 7.010 1.00 0.00 O ATOM 520 CB GLU A 36 -1.870 8.309 7.656 1.00 0.00 C ATOM 521 CG GLU A 36 -2.090 9.110 8.917 1.00 0.00 C ATOM 522 CD GLU A 36 -2.171 8.250 10.153 1.00 0.00 C ATOM 523 OE1 GLU A 36 -3.197 7.558 10.333 1.00 0.00 O ATOM 524 OE2 GLU A 36 -1.215 8.268 10.959 1.00 0.00 O ATOM 0 H GLU A 36 -1.823 7.347 5.403 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.554 9.897 6.389 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.701 7.616 7.524 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.968 7.707 7.769 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.277 9.827 9.032 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.011 9.685 8.820 1.00 0.00 H new ATOM 531 N LEU A 37 0.593 9.348 5.791 1.00 0.00 N ATOM 532 CA LEU A 37 1.911 9.930 5.724 1.00 0.00 C ATOM 533 C LEU A 37 1.950 11.079 4.712 1.00 0.00 C ATOM 534 O LEU A 37 2.879 11.884 4.705 1.00 0.00 O ATOM 535 CB LEU A 37 2.911 8.845 5.342 1.00 0.00 C ATOM 536 CG LEU A 37 4.346 9.296 5.161 1.00 0.00 C ATOM 537 CD1 LEU A 37 4.849 10.009 6.403 1.00 0.00 C ATOM 538 CD2 LEU A 37 5.223 8.113 4.840 1.00 0.00 C ATOM 0 H LEU A 37 0.508 8.457 5.302 1.00 0.00 H new ATOM 0 HA LEU A 37 2.173 10.342 6.699 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.889 8.072 6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.577 8.382 4.413 1.00 0.00 H new ATOM 0 HG LEU A 37 4.385 9.999 4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.881 10.323 6.249 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.228 10.884 6.597 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.799 9.333 7.256 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.252 8.447 4.712 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.175 7.392 5.656 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.877 7.643 3.920 1.00 0.00 H new ATOM 550 N GLY A 38 0.927 11.158 3.875 1.00 0.00 N ATOM 551 CA GLY A 38 0.871 12.202 2.875 1.00 0.00 C ATOM 552 C GLY A 38 1.928 12.019 1.808 1.00 0.00 C ATOM 553 O GLY A 38 2.355 12.983 1.171 1.00 0.00 O ATOM 0 H GLY A 38 0.134 10.517 3.871 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.115 12.208 2.411 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.004 13.172 3.355 1.00 0.00 H new TER 557 GLY A 38