USER MOD reduce.3.24.130724 H: found=0, std=0, add=148, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 146 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 VAL N :NH3+ -160:sc= -0.1 (180deg=-0.661) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0145 K(o=-0.014,f=-1.1) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -0.248 0.554 -0.188 1.00 12.31 N ATOM 2 CA VAL A 1 0.689 0.756 -1.287 1.00 33.13 C ATOM 3 C VAL A 1 0.831 -0.509 -2.126 1.00 42.44 C ATOM 4 O VAL A 1 0.743 -0.465 -3.354 1.00 33.14 O ATOM 5 CB VAL A 1 2.078 1.175 -0.770 1.00 52.22 C ATOM 6 CG1 VAL A 1 2.985 1.560 -1.929 1.00 72.11 C ATOM 7 CG2 VAL A 1 1.953 2.321 0.223 1.00 70.21 C ATOM 0 H1 VAL A 1 -0.587 1.476 0.153 1.00 12.31 H new ATOM 0 H2 VAL A 1 -1.056 -0.011 -0.520 1.00 12.31 H new ATOM 0 H3 VAL A 1 0.230 0.052 0.588 1.00 12.31 H new ATOM 0 HA VAL A 1 0.284 1.556 -1.906 1.00 33.13 H new ATOM 0 HB VAL A 1 2.527 0.325 -0.255 1.00 52.22 H new ATOM 0 HG11 VAL A 1 3.962 1.853 -1.545 1.00 72.11 H new ATOM 0 HG12 VAL A 1 3.100 0.708 -2.600 1.00 72.11 H new ATOM 0 HG13 VAL A 1 2.544 2.395 -2.474 1.00 72.11 H new ATOM 0 HG21 VAL A 1 2.944 2.604 0.578 1.00 70.21 H new ATOM 0 HG22 VAL A 1 1.484 3.176 -0.265 1.00 70.21 H new ATOM 0 HG23 VAL A 1 1.341 2.005 1.068 1.00 70.21 H new ATOM 17 N PHE A 2 1.052 -1.635 -1.457 1.00 31.12 N ATOM 18 CA PHE A 2 1.207 -2.913 -2.141 1.00 63.32 C ATOM 19 C PHE A 2 -0.019 -3.226 -2.994 1.00 21.32 C ATOM 20 O PHE A 2 0.100 -3.735 -4.108 1.00 21.42 O ATOM 21 CB PHE A 2 1.436 -4.035 -1.126 1.00 3.00 C ATOM 22 CG PHE A 2 2.772 -4.707 -1.267 1.00 21.24 C ATOM 23 CD1 PHE A 2 3.943 -4.012 -1.011 1.00 12.13 C ATOM 24 CD2 PHE A 2 2.857 -6.034 -1.655 1.00 71.54 C ATOM 25 CE1 PHE A 2 5.174 -4.628 -1.139 1.00 13.42 C ATOM 26 CE2 PHE A 2 4.085 -6.656 -1.785 1.00 12.52 C ATOM 27 CZ PHE A 2 5.245 -5.951 -1.527 1.00 54.04 C ATOM 0 H PHE A 2 1.128 -1.689 -0.441 1.00 31.12 H new ATOM 0 HA PHE A 2 2.075 -2.843 -2.796 1.00 63.32 H new ATOM 0 HB2 PHE A 2 1.348 -3.627 -0.119 1.00 3.00 H new ATOM 0 HB3 PHE A 2 0.649 -4.781 -1.237 1.00 3.00 H new ATOM 0 HD1 PHE A 2 3.893 -2.977 -0.708 1.00 12.13 H new ATOM 0 HD2 PHE A 2 1.953 -6.589 -1.858 1.00 71.54 H new ATOM 0 HE1 PHE A 2 6.079 -4.075 -0.936 1.00 13.42 H new ATOM 0 HE2 PHE A 2 4.137 -7.691 -2.088 1.00 12.52 H new ATOM 0 HZ PHE A 2 6.206 -6.434 -1.629 1.00 54.04 H new ATOM 37 N ALA A 3 -1.197 -2.918 -2.461 1.00 61.40 N ATOM 38 CA ALA A 3 -2.445 -3.165 -3.172 1.00 41.15 C ATOM 39 C ALA A 3 -2.433 -2.504 -4.547 1.00 14.24 C ATOM 40 O ALA A 3 -2.739 -3.141 -5.555 1.00 4.41 O ATOM 41 CB ALA A 3 -3.626 -2.665 -2.354 1.00 74.42 C ATOM 0 H ALA A 3 -1.313 -2.497 -1.539 1.00 61.40 H new ATOM 0 HA ALA A 3 -2.546 -4.241 -3.316 1.00 41.15 H new ATOM 0 HB1 ALA A 3 -4.552 -2.856 -2.897 1.00 74.42 H new ATOM 0 HB2 ALA A 3 -3.653 -3.186 -1.397 1.00 74.42 H new ATOM 0 HB3 ALA A 3 -3.521 -1.594 -2.181 1.00 74.42 H new ATOM 47 N SER A 4 -2.080 -1.223 -4.579 1.00 11.21 N ATOM 48 CA SER A 4 -2.033 -0.474 -5.829 1.00 75.24 C ATOM 49 C SER A 4 -0.957 -1.031 -6.756 1.00 40.01 C ATOM 50 O SER A 4 -1.155 -1.130 -7.968 1.00 23.11 O ATOM 51 CB SER A 4 -1.768 1.007 -5.552 1.00 64.31 C ATOM 52 OG SER A 4 -2.933 1.653 -5.071 1.00 74.20 O ATOM 0 H SER A 4 -1.822 -0.682 -3.753 1.00 11.21 H new ATOM 0 HA SER A 4 -3.000 -0.576 -6.321 1.00 75.24 H new ATOM 0 HB2 SER A 4 -0.966 1.105 -4.821 1.00 64.31 H new ATOM 0 HB3 SER A 4 -1.428 1.496 -6.465 1.00 64.31 H new ATOM 0 HG SER A 4 -2.736 2.598 -4.900 1.00 74.20 H new ATOM 58 N LEU A 5 0.183 -1.393 -6.178 1.00 32.22 N ATOM 59 CA LEU A 5 1.293 -1.941 -6.950 1.00 54.44 C ATOM 60 C LEU A 5 0.968 -3.345 -7.449 1.00 62.14 C ATOM 61 O LEU A 5 0.081 -4.024 -6.933 1.00 32.42 O ATOM 62 CB LEU A 5 2.565 -1.970 -6.102 1.00 1.30 C ATOM 63 CG LEU A 5 3.472 -0.744 -6.210 1.00 42.44 C ATOM 64 CD1 LEU A 5 2.692 0.526 -5.907 1.00 41.10 C ATOM 65 CD2 LEU A 5 4.663 -0.877 -5.273 1.00 3.24 C ATOM 0 H LEU A 5 0.363 -1.317 -5.177 1.00 32.22 H new ATOM 0 HA LEU A 5 1.455 -1.297 -7.814 1.00 54.44 H new ATOM 0 HB2 LEU A 5 2.279 -2.094 -5.058 1.00 1.30 H new ATOM 0 HB3 LEU A 5 3.144 -2.851 -6.381 1.00 1.30 H new ATOM 0 HG LEU A 5 3.845 -0.681 -7.232 1.00 42.44 H new ATOM 0 HD11 LEU A 5 3.354 1.388 -5.989 1.00 41.10 H new ATOM 0 HD12 LEU A 5 1.873 0.629 -6.619 1.00 41.10 H new ATOM 0 HD13 LEU A 5 2.289 0.473 -4.896 1.00 41.10 H new ATOM 0 HD21 LEU A 5 5.297 0.005 -5.364 1.00 3.24 H new ATOM 0 HD22 LEU A 5 4.310 -0.966 -4.246 1.00 3.24 H new ATOM 0 HD23 LEU A 5 5.237 -1.765 -5.537 1.00 3.24 H new ATOM 77 N PRO A 6 1.705 -3.793 -8.477 1.00 32.11 N ATOM 78 CA PRO A 6 1.516 -5.122 -9.066 1.00 53.14 C ATOM 79 C PRO A 6 1.963 -6.240 -8.131 1.00 32.00 C ATOM 80 O PRO A 6 1.667 -7.411 -8.362 1.00 35.50 O ATOM 81 CB PRO A 6 2.399 -5.085 -10.316 1.00 2.42 C ATOM 82 CG PRO A 6 3.445 -4.069 -10.010 1.00 2.11 C ATOM 83 CD PRO A 6 2.779 -3.037 -9.142 1.00 23.20 C ATOM 0 HA PRO A 6 0.466 -5.329 -9.275 1.00 53.14 H new ATOM 0 HB2 PRO A 6 2.841 -6.061 -10.517 1.00 2.42 H new ATOM 0 HB3 PRO A 6 1.824 -4.807 -11.199 1.00 2.42 H new ATOM 0 HG2 PRO A 6 4.292 -4.524 -9.496 1.00 2.11 H new ATOM 0 HG3 PRO A 6 3.831 -3.619 -10.925 1.00 2.11 H new ATOM 0 HD2 PRO A 6 3.475 -2.609 -8.421 1.00 23.20 H new ATOM 0 HD3 PRO A 6 2.383 -2.211 -9.732 1.00 23.20 H new ATOM 91 N GLY A 7 2.678 -5.870 -7.073 1.00 12.12 N ATOM 92 CA GLY A 7 3.154 -6.854 -6.118 1.00 52.12 C ATOM 93 C GLY A 7 2.043 -7.750 -5.607 1.00 23.02 C ATOM 94 O GLY A 7 0.868 -7.516 -5.890 1.00 60.22 O ATOM 0 H GLY A 7 2.936 -4.906 -6.860 1.00 12.12 H new ATOM 0 HA2 GLY A 7 3.925 -7.467 -6.586 1.00 52.12 H new ATOM 0 HA3 GLY A 7 3.621 -6.343 -5.276 1.00 52.12 H new ATOM 98 N ILE A 8 2.415 -8.779 -4.853 1.00 64.01 N ATOM 99 CA ILE A 8 1.442 -9.713 -4.302 1.00 74.31 C ATOM 100 C ILE A 8 0.504 -9.016 -3.322 1.00 63.00 C ATOM 101 O ILE A 8 0.521 -7.791 -3.197 1.00 35.22 O ATOM 102 CB ILE A 8 2.132 -10.889 -3.586 1.00 61.34 C ATOM 103 CG1 ILE A 8 2.817 -10.405 -2.307 1.00 14.24 C ATOM 104 CG2 ILE A 8 3.139 -11.555 -4.512 1.00 72.44 C ATOM 105 CD1 ILE A 8 3.579 -11.491 -1.581 1.00 33.24 C ATOM 0 H ILE A 8 3.384 -8.987 -4.610 1.00 64.01 H new ATOM 0 HA ILE A 8 0.865 -10.098 -5.142 1.00 74.31 H new ATOM 0 HB ILE A 8 1.375 -11.624 -3.314 1.00 61.34 H new ATOM 0 HG12 ILE A 8 3.503 -9.596 -2.556 1.00 14.24 H new ATOM 0 HG13 ILE A 8 2.065 -9.990 -1.636 1.00 14.24 H new ATOM 0 HG21 ILE A 8 3.619 -12.384 -3.992 1.00 72.44 H new ATOM 0 HG22 ILE A 8 2.626 -11.930 -5.398 1.00 72.44 H new ATOM 0 HG23 ILE A 8 3.895 -10.828 -4.811 1.00 72.44 H new ATOM 0 HD11 ILE A 8 4.039 -11.076 -0.684 1.00 33.24 H new ATOM 0 HD12 ILE A 8 2.894 -12.291 -1.300 1.00 33.24 H new ATOM 0 HD13 ILE A 8 4.355 -11.890 -2.234 1.00 33.24 H new ATOM 117 N ILE A 9 -0.310 -9.804 -2.628 1.00 70.13 N ATOM 118 CA ILE A 9 -1.252 -9.262 -1.657 1.00 32.51 C ATOM 119 C ILE A 9 -1.095 -9.942 -0.301 1.00 1.33 C ATOM 120 O ILE A 9 -1.874 -9.699 0.621 1.00 21.03 O ATOM 121 CB ILE A 9 -2.708 -9.424 -2.134 1.00 23.33 C ATOM 122 CG1 ILE A 9 -3.230 -10.819 -1.782 1.00 55.32 C ATOM 123 CG2 ILE A 9 -2.805 -9.178 -3.632 1.00 23.31 C ATOM 124 CD1 ILE A 9 -2.389 -11.940 -2.350 1.00 22.24 C ATOM 0 H ILE A 9 -0.336 -10.820 -2.720 1.00 70.13 H new ATOM 0 HA ILE A 9 -1.027 -8.200 -1.557 1.00 32.51 H new ATOM 0 HB ILE A 9 -3.327 -8.686 -1.624 1.00 23.33 H new ATOM 0 HG12 ILE A 9 -3.271 -10.920 -0.697 1.00 55.32 H new ATOM 0 HG13 ILE A 9 -4.251 -10.919 -2.150 1.00 55.32 H new ATOM 0 HG21 ILE A 9 -3.840 -9.296 -3.954 1.00 23.31 H new ATOM 0 HG22 ILE A 9 -2.468 -8.166 -3.857 1.00 23.31 H new ATOM 0 HG23 ILE A 9 -2.177 -9.895 -4.160 1.00 23.31 H new ATOM 0 HD11 ILE A 9 -2.818 -12.899 -2.061 1.00 22.24 H new ATOM 0 HD12 ILE A 9 -2.369 -11.865 -3.437 1.00 22.24 H new ATOM 0 HD13 ILE A 9 -1.373 -11.865 -1.962 1.00 22.24 H new ATOM 136 N PHE A 10 -0.081 -10.793 -0.185 1.00 43.44 N ATOM 137 CA PHE A 10 0.180 -11.507 1.059 1.00 43.11 C ATOM 138 C PHE A 10 0.315 -10.534 2.227 1.00 50.04 C ATOM 139 O PHE A 10 -0.317 -10.706 3.270 1.00 44.22 O ATOM 140 CB PHE A 10 1.452 -12.348 0.932 1.00 42.02 C ATOM 141 CG PHE A 10 1.337 -13.707 1.561 1.00 64.13 C ATOM 142 CD1 PHE A 10 0.313 -14.567 1.201 1.00 72.44 C ATOM 143 CD2 PHE A 10 2.254 -14.124 2.512 1.00 20.15 C ATOM 144 CE1 PHE A 10 0.204 -15.819 1.777 1.00 5.02 C ATOM 145 CE2 PHE A 10 2.151 -15.375 3.092 1.00 1.40 C ATOM 146 CZ PHE A 10 1.124 -16.223 2.725 1.00 44.51 C ATOM 0 H PHE A 10 0.574 -11.005 -0.938 1.00 43.44 H new ATOM 0 HA PHE A 10 -0.666 -12.166 1.254 1.00 43.11 H new ATOM 0 HB2 PHE A 10 1.697 -12.465 -0.124 1.00 42.02 H new ATOM 0 HB3 PHE A 10 2.281 -11.811 1.394 1.00 42.02 H new ATOM 0 HD1 PHE A 10 -0.409 -14.256 0.461 1.00 72.44 H new ATOM 0 HD2 PHE A 10 3.058 -13.465 2.804 1.00 20.15 H new ATOM 0 HE1 PHE A 10 -0.599 -16.480 1.486 1.00 5.02 H new ATOM 0 HE2 PHE A 10 2.873 -15.689 3.831 1.00 1.40 H new ATOM 0 HZ PHE A 10 1.041 -17.200 3.178 1.00 44.51 H new ATOM 156 N THR A 11 1.144 -9.511 2.044 1.00 52.41 N ATOM 157 CA THR A 11 1.364 -8.511 3.081 1.00 11.22 C ATOM 158 C THR A 11 0.053 -7.853 3.497 1.00 4.35 C ATOM 159 O THR A 11 -0.175 -7.596 4.680 1.00 72.33 O ATOM 160 CB THR A 11 2.346 -7.421 2.612 1.00 51.14 C ATOM 161 OG1 THR A 11 2.465 -6.404 3.613 1.00 75.02 O ATOM 162 CG2 THR A 11 1.880 -6.800 1.303 1.00 11.24 C ATOM 0 H THR A 11 1.674 -9.353 1.187 1.00 52.41 H new ATOM 0 HA THR A 11 1.794 -9.032 3.936 1.00 11.22 H new ATOM 0 HB THR A 11 3.319 -7.885 2.450 1.00 51.14 H new ATOM 0 HG1 THR A 11 3.092 -5.716 3.307 1.00 75.02 H new ATOM 0 HG21 THR A 11 2.589 -6.033 0.991 1.00 11.24 H new ATOM 0 HG22 THR A 11 1.819 -7.572 0.535 1.00 11.24 H new ATOM 0 HG23 THR A 11 0.897 -6.350 1.443 1.00 11.24 H new ATOM 170 N ARG A 12 -0.805 -7.582 2.519 1.00 24.42 N ATOM 171 CA ARG A 12 -2.093 -6.953 2.785 1.00 62.52 C ATOM 172 C ARG A 12 -2.913 -7.787 3.765 1.00 60.10 C ATOM 173 O ARG A 12 -3.458 -7.263 4.736 1.00 20.24 O ATOM 174 CB ARG A 12 -2.872 -6.767 1.481 1.00 4.34 C ATOM 175 CG ARG A 12 -3.597 -5.434 1.391 1.00 35.42 C ATOM 176 CD ARG A 12 -4.899 -5.560 0.614 1.00 24.32 C ATOM 177 NE ARG A 12 -5.829 -6.488 1.251 1.00 21.44 N ATOM 178 CZ ARG A 12 -6.948 -6.916 0.678 1.00 32.32 C ATOM 179 NH1 ARG A 12 -7.274 -6.502 -0.538 1.00 72.13 N ATOM 180 NH2 ARG A 12 -7.744 -7.761 1.322 1.00 1.20 N ATOM 0 H ARG A 12 -0.631 -7.788 1.535 1.00 24.42 H new ATOM 0 HA ARG A 12 -1.907 -5.977 3.232 1.00 62.52 H new ATOM 0 HB2 ARG A 12 -2.184 -6.854 0.640 1.00 4.34 H new ATOM 0 HB3 ARG A 12 -3.598 -7.574 1.383 1.00 4.34 H new ATOM 0 HG2 ARG A 12 -3.805 -5.063 2.395 1.00 35.42 H new ATOM 0 HG3 ARG A 12 -2.953 -4.700 0.907 1.00 35.42 H new ATOM 0 HD2 ARG A 12 -5.367 -4.579 0.529 1.00 24.32 H new ATOM 0 HD3 ARG A 12 -4.685 -5.900 -0.399 1.00 24.32 H new ATOM 0 HE ARG A 12 -5.607 -6.826 2.187 1.00 21.44 H new ATOM 0 HH11 ARG A 12 -6.665 -5.853 -1.036 1.00 72.13 H new ATOM 0 HH12 ARG A 12 -8.134 -6.832 -0.976 1.00 72.13 H new ATOM 0 HH21 ARG A 12 -7.496 -8.082 2.258 1.00 1.20 H new ATOM 0 HH22 ARG A 12 -8.603 -8.089 0.881 1.00 1.20 H new ATOM 194 N SER A 13 -2.996 -9.087 3.503 1.00 73.54 N ATOM 195 CA SER A 13 -3.753 -9.993 4.359 1.00 74.13 C ATOM 196 C SER A 13 -3.268 -9.908 5.803 1.00 73.23 C ATOM 197 O SER A 13 -4.069 -9.877 6.736 1.00 15.23 O ATOM 198 CB SER A 13 -3.630 -11.431 3.851 1.00 33.11 C ATOM 199 OG SER A 13 -4.312 -12.333 4.705 1.00 22.51 O ATOM 0 H SER A 13 -2.548 -9.537 2.705 1.00 73.54 H new ATOM 0 HA SER A 13 -4.800 -9.693 4.328 1.00 74.13 H new ATOM 0 HB2 SER A 13 -4.039 -11.500 2.843 1.00 33.11 H new ATOM 0 HB3 SER A 13 -2.578 -11.709 3.788 1.00 33.11 H new ATOM 0 HG SER A 13 -4.220 -13.245 4.358 1.00 22.51 H new ATOM 205 N GLN A 14 -1.951 -9.872 5.977 1.00 51.54 N ATOM 206 CA GLN A 14 -1.359 -9.791 7.306 1.00 24.15 C ATOM 207 C GLN A 14 -1.736 -8.482 7.992 1.00 22.12 C ATOM 208 O GLN A 14 -2.183 -8.476 9.139 1.00 4.25 O ATOM 209 CB GLN A 14 0.164 -9.914 7.218 1.00 75.10 C ATOM 210 CG GLN A 14 0.858 -9.858 8.569 1.00 30.31 C ATOM 211 CD GLN A 14 0.597 -11.092 9.411 1.00 41.22 C ATOM 212 OE1 GLN A 14 0.251 -12.152 8.889 1.00 61.03 O ATOM 213 NE2 GLN A 14 0.762 -10.960 10.722 1.00 61.12 N ATOM 0 H GLN A 14 -1.274 -9.898 5.214 1.00 51.54 H new ATOM 0 HA GLN A 14 -1.750 -10.617 7.900 1.00 24.15 H new ATOM 0 HB2 GLN A 14 0.416 -10.854 6.728 1.00 75.10 H new ATOM 0 HB3 GLN A 14 0.549 -9.113 6.588 1.00 75.10 H new ATOM 0 HG2 GLN A 14 1.932 -9.747 8.417 1.00 30.31 H new ATOM 0 HG3 GLN A 14 0.519 -8.975 9.111 1.00 30.31 H new ATOM 0 HE21 GLN A 14 1.050 -10.063 11.112 1.00 61.12 H new ATOM 0 HE22 GLN A 14 0.601 -11.756 11.339 1.00 61.12 H new ATOM 222 N LYS A 15 -1.553 -7.374 7.282 1.00 4.14 N ATOM 223 CA LYS A 15 -1.874 -6.058 7.821 1.00 11.31 C ATOM 224 C LYS A 15 -3.326 -5.999 8.285 1.00 72.45 C ATOM 225 O LYS A 15 -3.614 -5.562 9.398 1.00 51.31 O ATOM 226 CB LYS A 15 -1.620 -4.977 6.768 1.00 40.11 C ATOM 227 CG LYS A 15 -0.149 -4.650 6.574 1.00 33.31 C ATOM 228 CD LYS A 15 0.378 -3.766 7.692 1.00 34.41 C ATOM 229 CE LYS A 15 1.719 -3.149 7.329 1.00 3.20 C ATOM 230 NZ LYS A 15 2.483 -2.732 8.537 1.00 1.34 N ATOM 0 H LYS A 15 -1.184 -7.361 6.331 1.00 4.14 H new ATOM 0 HA LYS A 15 -1.229 -5.878 8.681 1.00 11.31 H new ATOM 0 HB2 LYS A 15 -2.040 -5.303 5.816 1.00 40.11 H new ATOM 0 HB3 LYS A 15 -2.150 -4.069 7.056 1.00 40.11 H new ATOM 0 HG2 LYS A 15 0.428 -5.574 6.537 1.00 33.31 H new ATOM 0 HG3 LYS A 15 -0.010 -4.149 5.616 1.00 33.31 H new ATOM 0 HD2 LYS A 15 -0.342 -2.976 7.903 1.00 34.41 H new ATOM 0 HD3 LYS A 15 0.482 -4.354 8.604 1.00 34.41 H new ATOM 0 HE2 LYS A 15 2.307 -3.868 6.758 1.00 3.20 H new ATOM 0 HE3 LYS A 15 1.559 -2.285 6.685 1.00 3.20 H new ATOM 0 HZ1 LYS A 15 3.391 -2.316 8.247 1.00 1.34 H new ATOM 0 HZ2 LYS A 15 1.934 -2.027 9.069 1.00 1.34 H new ATOM 0 HZ3 LYS A 15 2.659 -3.561 9.140 1.00 1.34 H new ATOM 244 N GLU A 16 -4.236 -6.445 7.423 1.00 1.35 N ATOM 245 CA GLU A 16 -5.658 -6.443 7.747 1.00 42.04 C ATOM 246 C GLU A 16 -6.114 -7.826 8.202 1.00 21.04 C ATOM 247 O GLU A 16 -6.618 -8.619 7.408 1.00 42.41 O ATOM 248 CB GLU A 16 -6.478 -5.997 6.535 1.00 74.14 C ATOM 249 CG GLU A 16 -6.386 -4.507 6.251 1.00 25.14 C ATOM 250 CD GLU A 16 -6.849 -3.661 7.421 1.00 13.01 C ATOM 251 OE1 GLU A 16 -8.070 -3.428 7.538 1.00 34.25 O ATOM 252 OE2 GLU A 16 -5.990 -3.232 8.220 1.00 51.25 O ATOM 0 H GLU A 16 -4.014 -6.811 6.497 1.00 1.35 H new ATOM 0 HA GLU A 16 -5.818 -5.740 8.564 1.00 42.04 H new ATOM 0 HB2 GLU A 16 -6.140 -6.547 5.657 1.00 74.14 H new ATOM 0 HB3 GLU A 16 -7.523 -6.264 6.696 1.00 74.14 H new ATOM 0 HG2 GLU A 16 -5.355 -4.250 6.007 1.00 25.14 H new ATOM 0 HG3 GLU A 16 -6.989 -4.270 5.375 1.00 25.14 H new ATOM 259 N GLY A 17 -5.932 -8.109 9.489 1.00 51.30 N ATOM 260 CA GLY A 17 -6.329 -9.396 10.029 1.00 40.10 C ATOM 261 C GLY A 17 -6.745 -9.311 11.484 1.00 53.20 C ATOM 262 O GLY A 17 -7.764 -8.700 11.812 1.00 63.35 O ATOM 0 H GLY A 17 -5.517 -7.470 10.167 1.00 51.30 H new ATOM 0 HA2 GLY A 17 -7.156 -9.794 9.441 1.00 40.10 H new ATOM 0 HA3 GLY A 17 -5.501 -10.098 9.931 1.00 40.10 H new ATOM 266 N LEU A 18 -5.958 -9.925 12.360 1.00 61.32 N ATOM 267 CA LEU A 18 -6.251 -9.918 13.789 1.00 61.12 C ATOM 268 C LEU A 18 -4.966 -9.842 14.608 1.00 72.43 C ATOM 269 O LEU A 18 -4.130 -10.743 14.554 1.00 65.55 O ATOM 270 CB LEU A 18 -7.042 -11.170 14.174 1.00 45.32 C ATOM 271 CG LEU A 18 -7.652 -11.173 15.576 1.00 63.41 C ATOM 272 CD1 LEU A 18 -8.921 -10.336 15.608 1.00 43.11 C ATOM 273 CD2 LEU A 18 -7.939 -12.597 16.029 1.00 64.51 C ATOM 0 H LEU A 18 -5.112 -10.434 12.106 1.00 61.32 H new ATOM 0 HA LEU A 18 -6.852 -9.035 14.007 1.00 61.12 H new ATOM 0 HB2 LEU A 18 -7.845 -11.305 13.450 1.00 45.32 H new ATOM 0 HB3 LEU A 18 -6.383 -12.034 14.084 1.00 45.32 H new ATOM 0 HG LEU A 18 -6.933 -10.731 16.265 1.00 63.41 H new ATOM 0 HD11 LEU A 18 -9.341 -10.350 16.614 1.00 43.11 H new ATOM 0 HD12 LEU A 18 -8.687 -9.309 15.327 1.00 43.11 H new ATOM 0 HD13 LEU A 18 -9.646 -10.748 14.906 1.00 43.11 H new ATOM 0 HD21 LEU A 18 -8.373 -12.580 17.029 1.00 64.51 H new ATOM 0 HD22 LEU A 18 -8.640 -13.065 15.337 1.00 64.51 H new ATOM 0 HD23 LEU A 18 -7.010 -13.168 16.046 1.00 64.51 H new TER 285 LEU A 18