USER MOD reduce.3.24.130724 H: found=0, std=0, add=212, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 213 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 48 THR OG1 : rot 180:sc= -0.249 USER MOD Single : A 50 MET CE :methyl 146:sc= -0.352 (180deg=-1.68!) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 96 N ILE A 46 -5.718 5.753 -20.975 1.00 1.00 N ATOM 97 CA ILE A 46 -5.071 6.356 -22.134 1.00 1.00 C ATOM 98 C ILE A 46 -3.935 5.478 -22.648 1.00 1.00 C ATOM 99 O ILE A 46 -3.514 5.599 -23.798 1.00 1.00 O ATOM 100 CB ILE A 46 -4.516 7.754 -21.805 1.00 1.00 C ATOM 101 CG1 ILE A 46 -5.643 8.678 -21.340 1.00 1.00 C ATOM 102 CG2 ILE A 46 -3.808 8.342 -23.017 1.00 1.00 C ATOM 103 CD1 ILE A 46 -5.306 9.461 -20.090 1.00 1.00 C ATOM 0 HA ILE A 46 -5.833 6.450 -22.908 1.00 1.00 H new ATOM 0 HB ILE A 46 -3.792 7.660 -20.996 1.00 1.00 H new ATOM 0 HG12 ILE A 46 -5.884 9.376 -22.142 1.00 1.00 H new ATOM 0 HG13 ILE A 46 -6.537 8.083 -21.156 1.00 1.00 H new ATOM 0 HG21 ILE A 46 -3.421 9.330 -22.768 1.00 1.00 H new ATOM 0 HG22 ILE A 46 -2.983 7.692 -23.307 1.00 1.00 H new ATOM 0 HG23 ILE A 46 -4.512 8.426 -23.845 1.00 1.00 H new ATOM 0 HD11 ILE A 46 -6.150 10.095 -19.819 1.00 1.00 H new ATOM 0 HD12 ILE A 46 -5.094 8.770 -19.274 1.00 1.00 H new ATOM 0 HD13 ILE A 46 -4.430 10.083 -20.275 1.00 1.00 H new ATOM 115 N ALA A 47 -3.443 4.593 -21.787 1.00 1.00 N ATOM 116 CA ALA A 47 -2.357 3.692 -22.154 1.00 1.00 C ATOM 117 C ALA A 47 -2.894 2.337 -22.601 1.00 1.00 C ATOM 118 O ALA A 47 -2.272 1.645 -23.407 1.00 1.00 O ATOM 119 CB ALA A 47 -1.395 3.523 -20.988 1.00 1.00 C ATOM 0 H ALA A 47 -3.779 4.481 -20.831 1.00 1.00 H new ATOM 0 HA ALA A 47 -1.819 4.134 -22.993 1.00 1.00 H new ATOM 0 HB1 ALA A 47 -0.589 2.848 -21.276 1.00 1.00 H new ATOM 0 HB2 ALA A 47 -0.977 4.493 -20.718 1.00 1.00 H new ATOM 0 HB3 ALA A 47 -1.929 3.107 -20.133 1.00 1.00 H new ATOM 125 N THR A 48 -4.055 1.962 -22.071 1.00 1.00 N ATOM 126 CA THR A 48 -4.675 0.689 -22.414 1.00 1.00 C ATOM 127 C THR A 48 -5.075 0.650 -23.885 1.00 1.00 C ATOM 128 O THR A 48 -4.661 -0.240 -24.627 1.00 1.00 O ATOM 129 CB THR A 48 -5.921 0.420 -21.548 1.00 1.00 C ATOM 130 OG1 THR A 48 -6.893 1.451 -21.755 1.00 1.00 O ATOM 131 CG2 THR A 48 -5.551 0.353 -20.074 1.00 1.00 C ATOM 0 H THR A 48 -4.584 2.522 -21.403 1.00 1.00 H new ATOM 0 HA THR A 48 -3.933 -0.086 -22.222 1.00 1.00 H new ATOM 0 HB THR A 48 -6.342 -0.541 -21.844 1.00 1.00 H new ATOM 0 HG1 THR A 48 -7.682 1.272 -21.203 1.00 1.00 H new ATOM 0 HG21 THR A 48 -6.446 0.162 -19.482 1.00 1.00 H new ATOM 0 HG22 THR A 48 -4.833 -0.452 -19.915 1.00 1.00 H new ATOM 0 HG23 THR A 48 -5.108 1.300 -19.767 1.00 1.00 H new ATOM 139 N GLY A 49 -5.881 1.622 -24.300 1.00 1.00 N ATOM 140 CA GLY A 49 -6.323 1.679 -25.682 1.00 1.00 C ATOM 141 C GLY A 49 -5.175 1.550 -26.663 1.00 1.00 C ATOM 142 O GLY A 49 -5.290 0.862 -27.676 1.00 1.00 O ATOM 0 H GLY A 49 -6.236 2.371 -23.705 1.00 1.00 H new ATOM 0 HA2 GLY A 49 -7.043 0.881 -25.863 1.00 1.00 H new ATOM 0 HA3 GLY A 49 -6.841 2.622 -25.856 1.00 1.00 H new ATOM 146 N MET A 50 -4.064 2.215 -26.362 1.00 1.00 N ATOM 147 CA MET A 50 -2.890 2.171 -27.226 1.00 1.00 C ATOM 148 C MET A 50 -2.343 0.750 -27.327 1.00 1.00 C ATOM 149 O MET A 50 -2.101 0.244 -28.423 1.00 1.00 O ATOM 150 CB MET A 50 -1.805 3.111 -26.697 1.00 1.00 C ATOM 151 CG MET A 50 -1.986 4.555 -27.136 1.00 1.00 C ATOM 152 SD MET A 50 -1.115 4.930 -28.670 1.00 1.00 S ATOM 153 CE MET A 50 -2.339 4.441 -29.882 1.00 1.00 C ATOM 0 H MET A 50 -3.952 2.790 -25.527 1.00 1.00 H new ATOM 0 HA MET A 50 -3.190 2.498 -28.222 1.00 1.00 H new ATOM 0 HB2 MET A 50 -1.799 3.069 -25.608 1.00 1.00 H new ATOM 0 HB3 MET A 50 -0.832 2.756 -27.035 1.00 1.00 H new ATOM 0 HG2 MET A 50 -3.048 4.760 -27.267 1.00 1.00 H new ATOM 0 HG3 MET A 50 -1.628 5.218 -26.348 1.00 1.00 H new ATOM 0 HE1 MET A 50 -2.275 5.098 -30.749 1.00 1.00 H new ATOM 0 HE2 MET A 50 -2.154 3.412 -30.192 1.00 1.00 H new ATOM 0 HE3 MET A 50 -3.334 4.514 -29.444 1.00 1.00 H new ATOM 163 N VAL A 51 -2.149 0.112 -26.177 1.00 1.00 N ATOM 164 CA VAL A 51 -1.630 -1.250 -26.137 1.00 1.00 C ATOM 165 C VAL A 51 -2.467 -2.183 -27.005 1.00 1.00 C ATOM 166 O VAL A 51 -1.953 -2.823 -27.921 1.00 1.00 O ATOM 167 CB VAL A 51 -1.599 -1.796 -24.697 1.00 1.00 C ATOM 168 CG1 VAL A 51 -0.941 -3.167 -24.660 1.00 1.00 C ATOM 169 CG2 VAL A 51 -0.879 -0.825 -23.774 1.00 1.00 C ATOM 0 H VAL A 51 -2.343 0.516 -25.261 1.00 1.00 H new ATOM 0 HA VAL A 51 -0.612 -1.213 -26.526 1.00 1.00 H new ATOM 0 HB VAL A 51 -2.625 -1.902 -24.345 1.00 1.00 H new ATOM 0 HG11 VAL A 51 -0.928 -3.537 -23.635 1.00 1.00 H new ATOM 0 HG12 VAL A 51 -1.504 -3.858 -25.288 1.00 1.00 H new ATOM 0 HG13 VAL A 51 0.081 -3.090 -25.031 1.00 1.00 H new ATOM 0 HG21 VAL A 51 -0.867 -1.227 -22.761 1.00 1.00 H new ATOM 0 HG22 VAL A 51 0.145 -0.684 -24.121 1.00 1.00 H new ATOM 0 HG23 VAL A 51 -1.398 0.133 -23.778 1.00 1.00 H new ATOM 179 N GLY A 52 -3.761 -2.254 -26.710 1.00 1.00 N ATOM 180 CA GLY A 52 -4.650 -3.110 -27.474 1.00 1.00 C ATOM 181 C GLY A 52 -4.512 -2.902 -28.969 1.00 1.00 C ATOM 182 O GLY A 52 -4.456 -3.865 -29.734 1.00 1.00 O ATOM 0 H GLY A 52 -4.210 -1.734 -25.956 1.00 1.00 H new ATOM 0 HA2 GLY A 52 -4.440 -4.152 -27.234 1.00 1.00 H new ATOM 0 HA3 GLY A 52 -5.681 -2.916 -27.177 1.00 1.00 H new ATOM 186 N ALA A 53 -4.459 -1.642 -29.387 1.00 1.00 N ATOM 187 CA ALA A 53 -4.326 -1.311 -30.801 1.00 1.00 C ATOM 188 C ALA A 53 -2.936 -1.667 -31.319 1.00 1.00 C ATOM 189 O ALA A 53 -2.779 -2.086 -32.467 1.00 1.00 O ATOM 190 CB ALA A 53 -4.612 0.167 -31.026 1.00 1.00 C ATOM 0 H ALA A 53 -4.506 -0.833 -28.767 1.00 1.00 H new ATOM 0 HA ALA A 53 -5.055 -1.900 -31.357 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -4.509 0.400 -32.086 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -5.627 0.395 -30.701 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -3.905 0.766 -30.452 1.00 1.00 H new ATOM 196 N LEU A 54 -1.931 -1.497 -30.467 1.00 1.00 N ATOM 197 CA LEU A 54 -0.553 -1.800 -30.840 1.00 1.00 C ATOM 198 C LEU A 54 -0.413 -3.256 -31.270 1.00 1.00 C ATOM 199 O LEU A 54 0.161 -3.552 -32.319 1.00 1.00 O ATOM 200 CB LEU A 54 0.388 -1.508 -29.670 1.00 1.00 C ATOM 201 CG LEU A 54 0.963 -0.093 -29.608 1.00 1.00 C ATOM 202 CD1 LEU A 54 1.332 0.271 -28.178 1.00 1.00 C ATOM 203 CD2 LEU A 54 2.174 0.031 -30.521 1.00 1.00 C ATOM 0 H LEU A 54 -2.044 -1.151 -29.514 1.00 1.00 H new ATOM 0 HA LEU A 54 -0.282 -1.165 -31.683 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -0.149 -1.701 -28.741 1.00 1.00 H new ATOM 0 HB3 LEU A 54 1.217 -2.214 -29.712 1.00 1.00 H new ATOM 0 HG LEU A 54 0.200 0.604 -29.953 1.00 1.00 H new ATOM 0 HD11 LEU A 54 1.740 1.282 -28.153 1.00 1.00 H new ATOM 0 HD12 LEU A 54 0.443 0.223 -27.549 1.00 1.00 H new ATOM 0 HD13 LEU A 54 2.078 -0.430 -27.805 1.00 1.00 H new ATOM 0 HD21 LEU A 54 2.570 1.045 -30.464 1.00 1.00 H new ATOM 0 HD22 LEU A 54 2.941 -0.677 -30.206 1.00 1.00 H new ATOM 0 HD23 LEU A 54 1.879 -0.186 -31.548 1.00 1.00 H new ATOM 215 N LEU A 55 -0.941 -4.162 -30.455 1.00 1.00 N ATOM 216 CA LEU A 55 -0.877 -5.589 -30.752 1.00 1.00 C ATOM 217 C LEU A 55 -1.729 -5.930 -31.970 1.00 1.00 C ATOM 218 O LEU A 55 -1.275 -6.616 -32.886 1.00 1.00 O ATOM 219 CB LEU A 55 -1.345 -6.403 -29.544 1.00 1.00 C ATOM 220 CG LEU A 55 -0.906 -5.885 -28.174 1.00 1.00 C ATOM 221 CD1 LEU A 55 -1.152 -6.935 -27.102 1.00 1.00 C ATOM 222 CD2 LEU A 55 0.561 -5.482 -28.202 1.00 1.00 C ATOM 0 H LEU A 55 -1.418 -3.934 -29.583 1.00 1.00 H new ATOM 0 HA LEU A 55 0.160 -5.843 -30.974 1.00 1.00 H new ATOM 0 HB2 LEU A 55 -2.434 -6.448 -29.561 1.00 1.00 H new ATOM 0 HB3 LEU A 55 -0.982 -7.425 -29.657 1.00 1.00 H new ATOM 0 HG LEU A 55 -1.500 -5.004 -27.933 1.00 1.00 H new ATOM 0 HD11 LEU A 55 -0.833 -6.548 -26.134 1.00 1.00 H new ATOM 0 HD12 LEU A 55 -2.215 -7.175 -27.065 1.00 1.00 H new ATOM 0 HD13 LEU A 55 -0.585 -7.835 -27.338 1.00 1.00 H new ATOM 0 HD21 LEU A 55 0.857 -5.116 -27.219 1.00 1.00 H new ATOM 0 HD22 LEU A 55 1.171 -6.346 -28.466 1.00 1.00 H new ATOM 0 HD23 LEU A 55 0.708 -4.695 -28.942 1.00 1.00 H new ATOM 234 N LEU A 56 -2.966 -5.445 -31.976 1.00 1.00 N ATOM 235 CA LEU A 56 -3.881 -5.695 -33.084 1.00 1.00 C ATOM 236 C LEU A 56 -3.227 -5.353 -34.418 1.00 1.00 C ATOM 237 O LEU A 56 -3.098 -6.208 -35.296 1.00 1.00 O ATOM 238 CB LEU A 56 -5.163 -4.879 -32.906 1.00 1.00 C ATOM 239 CG LEU A 56 -6.438 -5.501 -33.477 1.00 1.00 C ATOM 240 CD1 LEU A 56 -6.944 -6.610 -32.568 1.00 1.00 C ATOM 241 CD2 LEU A 56 -7.509 -4.437 -33.671 1.00 1.00 C ATOM 0 H LEU A 56 -3.358 -4.876 -31.226 1.00 1.00 H new ATOM 0 HA LEU A 56 -4.130 -6.756 -33.085 1.00 1.00 H new ATOM 0 HB2 LEU A 56 -5.314 -4.704 -31.841 1.00 1.00 H new ATOM 0 HB3 LEU A 56 -5.018 -3.904 -33.372 1.00 1.00 H new ATOM 0 HG LEU A 56 -6.204 -5.935 -34.449 1.00 1.00 H new ATOM 0 HD11 LEU A 56 -7.852 -7.041 -32.990 1.00 1.00 H new ATOM 0 HD12 LEU A 56 -6.182 -7.384 -32.480 1.00 1.00 H new ATOM 0 HD13 LEU A 56 -7.162 -6.201 -31.581 1.00 1.00 H new ATOM 0 HD21 LEU A 56 -8.409 -4.897 -34.078 1.00 1.00 H new ATOM 0 HD22 LEU A 56 -7.740 -3.974 -32.712 1.00 1.00 H new ATOM 0 HD23 LEU A 56 -7.146 -3.677 -34.363 1.00 1.00 H new ATOM 253 N LEU A 57 -2.814 -4.099 -34.565 1.00 1.00 N ATOM 254 CA LEU A 57 -2.172 -3.644 -35.793 1.00 1.00 C ATOM 255 C LEU A 57 -0.975 -4.523 -36.140 1.00 1.00 C ATOM 256 O LEU A 57 -0.787 -4.907 -37.295 1.00 1.00 O ATOM 257 CB LEU A 57 -1.724 -2.188 -35.648 1.00 1.00 C ATOM 258 CG LEU A 57 -2.841 -1.155 -35.493 1.00 1.00 C ATOM 259 CD1 LEU A 57 -2.265 0.252 -35.452 1.00 1.00 C ATOM 260 CD2 LEU A 57 -3.851 -1.287 -36.623 1.00 1.00 C ATOM 0 H LEU A 57 -2.912 -3.379 -33.849 1.00 1.00 H new ATOM 0 HA LEU A 57 -2.899 -3.716 -36.602 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -1.066 -2.116 -34.782 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -1.130 -1.923 -36.522 1.00 1.00 H new ATOM 0 HG LEU A 57 -3.355 -1.343 -34.550 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -3.075 0.973 -35.341 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -1.582 0.341 -34.607 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -1.725 0.451 -36.378 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -4.638 -0.544 -36.496 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -3.351 -1.126 -37.578 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -4.288 -2.285 -36.606 1.00 1.00 H new ATOM 272 N LEU A 58 -0.169 -4.840 -35.132 1.00 1.00 N ATOM 273 CA LEU A 58 1.010 -5.677 -35.330 1.00 1.00 C ATOM 274 C LEU A 58 0.633 -7.003 -35.984 1.00 1.00 C ATOM 275 O LEU A 58 1.228 -7.406 -36.983 1.00 1.00 O ATOM 276 CB LEU A 58 1.707 -5.935 -33.993 1.00 1.00 C ATOM 277 CG LEU A 58 2.783 -4.926 -33.591 1.00 1.00 C ATOM 278 CD1 LEU A 58 3.003 -4.951 -32.087 1.00 1.00 C ATOM 279 CD2 LEU A 58 4.083 -5.211 -34.328 1.00 1.00 C ATOM 0 H LEU A 58 -0.310 -4.531 -34.170 1.00 1.00 H new ATOM 0 HA LEU A 58 1.694 -5.147 -35.993 1.00 1.00 H new ATOM 0 HB2 LEU A 58 0.949 -5.959 -33.210 1.00 1.00 H new ATOM 0 HB3 LEU A 58 2.161 -6.925 -34.028 1.00 1.00 H new ATOM 0 HG LEU A 58 2.442 -3.929 -33.870 1.00 1.00 H new ATOM 0 HD11 LEU A 58 3.772 -4.226 -31.820 1.00 1.00 H new ATOM 0 HD12 LEU A 58 2.073 -4.697 -31.579 1.00 1.00 H new ATOM 0 HD13 LEU A 58 3.322 -5.948 -31.782 1.00 1.00 H new ATOM 0 HD21 LEU A 58 4.838 -4.483 -34.030 1.00 1.00 H new ATOM 0 HD22 LEU A 58 4.429 -6.215 -34.081 1.00 1.00 H new ATOM 0 HD23 LEU A 58 3.915 -5.140 -35.403 1.00 1.00 H new ATOM 291 N VAL A 59 -0.362 -7.676 -35.414 1.00 1.00 N ATOM 292 CA VAL A 59 -0.823 -8.953 -35.945 1.00 1.00 C ATOM 293 C VAL A 59 -1.458 -8.780 -37.320 1.00 1.00 C ATOM 294 O VAL A 59 -1.165 -9.531 -38.250 1.00 1.00 O ATOM 295 CB VAL A 59 -1.842 -9.618 -35.000 1.00 1.00 C ATOM 296 CG1 VAL A 59 -2.161 -11.030 -35.467 1.00 1.00 C ATOM 297 CG2 VAL A 59 -1.319 -9.626 -33.572 1.00 1.00 C ATOM 0 H VAL A 59 -0.864 -7.358 -34.585 1.00 1.00 H new ATOM 0 HA VAL A 59 0.054 -9.595 -36.032 1.00 1.00 H new ATOM 0 HB VAL A 59 -2.764 -9.037 -35.022 1.00 1.00 H new ATOM 0 HG11 VAL A 59 -2.882 -11.484 -34.787 1.00 1.00 H new ATOM 0 HG12 VAL A 59 -2.582 -10.995 -36.472 1.00 1.00 H new ATOM 0 HG13 VAL A 59 -1.248 -11.625 -35.477 1.00 1.00 H new ATOM 0 HG21 VAL A 59 -2.052 -10.099 -32.919 1.00 1.00 H new ATOM 0 HG22 VAL A 59 -0.383 -10.183 -33.531 1.00 1.00 H new ATOM 0 HG23 VAL A 59 -1.147 -8.602 -33.242 1.00 1.00 H new ATOM 307 N VAL A 60 -2.331 -7.785 -37.442 1.00 1.00 N ATOM 308 CA VAL A 60 -3.007 -7.511 -38.704 1.00 1.00 C ATOM 309 C VAL A 60 -2.002 -7.326 -39.836 1.00 1.00 C ATOM 310 O VAL A 60 -2.049 -8.031 -40.843 1.00 1.00 O ATOM 311 CB VAL A 60 -3.891 -6.254 -38.606 1.00 1.00 C ATOM 312 CG1 VAL A 60 -4.545 -5.955 -39.947 1.00 1.00 C ATOM 313 CG2 VAL A 60 -4.940 -6.424 -37.518 1.00 1.00 C ATOM 0 H VAL A 60 -2.587 -7.155 -36.682 1.00 1.00 H new ATOM 0 HA VAL A 60 -3.638 -8.373 -38.919 1.00 1.00 H new ATOM 0 HB VAL A 60 -3.259 -5.407 -38.340 1.00 1.00 H new ATOM 0 HG11 VAL A 60 -5.166 -5.063 -39.858 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -3.774 -5.787 -40.699 1.00 1.00 H new ATOM 0 HG13 VAL A 60 -5.165 -6.800 -40.246 1.00 1.00 H new ATOM 0 HG21 VAL A 60 -5.556 -5.526 -37.463 1.00 1.00 H new ATOM 0 HG22 VAL A 60 -5.570 -7.282 -37.751 1.00 1.00 H new ATOM 0 HG23 VAL A 60 -4.447 -6.585 -36.559 1.00 1.00 H new ATOM 323 N ALA A 61 -1.093 -6.372 -39.663 1.00 1.00 N ATOM 324 CA ALA A 61 -0.076 -6.094 -40.669 1.00 1.00 C ATOM 325 C ALA A 61 0.837 -7.298 -40.873 1.00 1.00 C ATOM 326 O ALA A 61 1.314 -7.548 -41.981 1.00 1.00 O ATOM 327 CB ALA A 61 0.739 -4.872 -40.272 1.00 1.00 C ATOM 0 H ALA A 61 -1.040 -5.779 -38.835 1.00 1.00 H new ATOM 0 HA ALA A 61 -0.580 -5.889 -41.613 1.00 1.00 H new ATOM 0 HB1 ALA A 61 1.495 -4.676 -41.032 1.00 1.00 H new ATOM 0 HB2 ALA A 61 0.080 -4.008 -40.184 1.00 1.00 H new ATOM 0 HB3 ALA A 61 1.227 -5.055 -39.315 1.00 1.00 H new ATOM 333 N LEU A 62 1.077 -8.042 -39.799 1.00 1.00 N ATOM 334 CA LEU A 62 1.935 -9.220 -39.859 1.00 1.00 C ATOM 335 C LEU A 62 1.326 -10.290 -40.760 1.00 1.00 C ATOM 336 O LEU A 62 1.916 -10.677 -41.768 1.00 1.00 O ATOM 337 CB LEU A 62 2.159 -9.785 -38.456 1.00 1.00 C ATOM 338 CG LEU A 62 3.364 -9.233 -37.694 1.00 1.00 C ATOM 339 CD1 LEU A 62 3.240 -9.534 -36.208 1.00 1.00 C ATOM 340 CD2 LEU A 62 4.657 -9.811 -38.250 1.00 1.00 C ATOM 0 H LEU A 62 0.689 -7.850 -38.875 1.00 1.00 H new ATOM 0 HA LEU A 62 2.895 -8.920 -40.279 1.00 1.00 H new ATOM 0 HB2 LEU A 62 1.263 -9.598 -37.864 1.00 1.00 H new ATOM 0 HB3 LEU A 62 2.269 -10.867 -38.535 1.00 1.00 H new ATOM 0 HG LEU A 62 3.387 -8.151 -37.824 1.00 1.00 H new ATOM 0 HD11 LEU A 62 4.107 -9.134 -35.682 1.00 1.00 H new ATOM 0 HD12 LEU A 62 2.333 -9.072 -35.818 1.00 1.00 H new ATOM 0 HD13 LEU A 62 3.191 -10.613 -36.058 1.00 1.00 H new ATOM 0 HD21 LEU A 62 5.504 -9.407 -37.696 1.00 1.00 H new ATOM 0 HD22 LEU A 62 4.643 -10.896 -38.151 1.00 1.00 H new ATOM 0 HD23 LEU A 62 4.752 -9.544 -39.303 1.00 1.00 H new ATOM 352 N GLY A 63 0.140 -10.764 -40.390 1.00 1.00 N ATOM 353 CA GLY A 63 -0.529 -11.785 -41.175 1.00 1.00 C ATOM 354 C GLY A 63 -0.648 -11.406 -42.638 1.00 1.00 C ATOM 355 O GLY A 63 -0.333 -12.205 -43.520 1.00 1.00 O ATOM 0 H GLY A 63 -0.369 -10.459 -39.561 1.00 1.00 H new ATOM 0 HA2 GLY A 63 0.020 -12.723 -41.089 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -1.524 -11.960 -40.766 1.00 1.00 H new ATOM 359 N ILE A 64 -1.105 -10.185 -42.895 1.00 1.00 N ATOM 360 CA ILE A 64 -1.265 -9.703 -44.262 1.00 1.00 C ATOM 361 C ILE A 64 0.084 -9.573 -44.960 1.00 1.00 C ATOM 362 O ILE A 64 0.226 -9.925 -46.130 1.00 1.00 O ATOM 363 CB ILE A 64 -1.982 -8.341 -44.297 1.00 1.00 C ATOM 364 CG1 ILE A 64 -3.360 -8.448 -43.640 1.00 1.00 C ATOM 365 CG2 ILE A 64 -2.110 -7.847 -45.730 1.00 1.00 C ATOM 366 CD1 ILE A 64 -4.051 -7.114 -43.463 1.00 1.00 C ATOM 0 H ILE A 64 -1.371 -9.512 -42.176 1.00 1.00 H new ATOM 0 HA ILE A 64 -1.874 -10.439 -44.788 1.00 1.00 H new ATOM 0 HB ILE A 64 -1.388 -7.620 -43.736 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -3.992 -9.098 -44.245 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -3.253 -8.925 -42.666 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -2.619 -6.883 -45.738 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -1.118 -7.737 -46.167 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.685 -8.566 -46.313 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -5.022 -7.267 -42.992 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -3.439 -6.468 -42.833 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -4.190 -6.644 -44.437 1.00 1.00 H new ATOM 378 N GLY A 65 1.075 -9.065 -44.233 1.00 1.00 N ATOM 379 CA GLY A 65 2.401 -8.899 -44.798 1.00 1.00 C ATOM 380 C GLY A 65 3.032 -10.220 -45.194 1.00 1.00 C ATOM 381 O GLY A 65 3.520 -10.371 -46.315 1.00 1.00 O ATOM 0 H GLY A 65 0.983 -8.765 -43.262 1.00 1.00 H new ATOM 0 HA2 GLY A 65 2.341 -8.252 -45.673 1.00 1.00 H new ATOM 0 HA3 GLY A 65 3.041 -8.397 -44.073 1.00 1.00 H new ATOM 385 N LEU A 66 3.024 -11.177 -44.274 1.00 1.00 N ATOM 386 CA LEU A 66 3.601 -12.492 -44.532 1.00 1.00 C ATOM 387 C LEU A 66 2.847 -13.208 -45.648 1.00 1.00 C ATOM 388 O LEU A 66 3.423 -14.008 -46.386 1.00 1.00 O ATOM 389 CB LEU A 66 3.577 -13.340 -43.259 1.00 1.00 C ATOM 390 CG LEU A 66 4.544 -12.918 -42.153 1.00 1.00 C ATOM 391 CD1 LEU A 66 4.379 -13.808 -40.931 1.00 1.00 C ATOM 392 CD2 LEU A 66 5.980 -12.960 -42.655 1.00 1.00 C ATOM 0 H LEU A 66 2.624 -11.068 -43.342 1.00 1.00 H new ATOM 0 HA LEU A 66 4.635 -12.352 -44.849 1.00 1.00 H new ATOM 0 HB2 LEU A 66 2.565 -13.324 -42.855 1.00 1.00 H new ATOM 0 HB3 LEU A 66 3.795 -14.373 -43.530 1.00 1.00 H new ATOM 0 HG LEU A 66 4.311 -11.893 -41.865 1.00 1.00 H new ATOM 0 HD11 LEU A 66 5.076 -13.492 -40.154 1.00 1.00 H new ATOM 0 HD12 LEU A 66 3.358 -13.727 -40.557 1.00 1.00 H new ATOM 0 HD13 LEU A 66 4.585 -14.843 -41.204 1.00 1.00 H new ATOM 0 HD21 LEU A 66 6.654 -12.656 -41.854 1.00 1.00 H new ATOM 0 HD22 LEU A 66 6.225 -13.974 -42.971 1.00 1.00 H new ATOM 0 HD23 LEU A 66 6.090 -12.280 -43.500 1.00 1.00 H new ATOM 404 N PHE A 67 1.557 -12.913 -45.767 1.00 1.00 N ATOM 405 CA PHE A 67 0.724 -13.528 -46.794 1.00 1.00 C ATOM 406 C PHE A 67 1.024 -12.932 -48.167 1.00 1.00 C ATOM 407 O PHE A 67 1.178 -13.656 -49.149 1.00 1.00 O ATOM 408 CB PHE A 67 -0.757 -13.344 -46.458 1.00 1.00 C ATOM 409 CG PHE A 67 -1.649 -14.370 -47.096 1.00 1.00 C ATOM 410 CD1 PHE A 67 -1.527 -15.711 -46.771 1.00 1.00 C ATOM 411 CD2 PHE A 67 -2.610 -13.993 -48.020 1.00 1.00 C ATOM 412 CE1 PHE A 67 -2.346 -16.658 -47.357 1.00 1.00 C ATOM 413 CE2 PHE A 67 -3.432 -14.935 -48.610 1.00 1.00 C ATOM 414 CZ PHE A 67 -3.300 -16.269 -48.277 1.00 1.00 C ATOM 0 H PHE A 67 1.066 -12.252 -45.165 1.00 1.00 H new ATOM 0 HA PHE A 67 0.953 -14.593 -46.822 1.00 1.00 H new ATOM 0 HB2 PHE A 67 -0.884 -13.387 -45.376 1.00 1.00 H new ATOM 0 HB3 PHE A 67 -1.073 -12.351 -46.777 1.00 1.00 H new ATOM 0 HD1 PHE A 67 -0.783 -16.020 -46.051 1.00 1.00 H new ATOM 0 HD2 PHE A 67 -2.718 -12.951 -48.282 1.00 1.00 H new ATOM 0 HE1 PHE A 67 -2.240 -17.701 -47.096 1.00 1.00 H new ATOM 0 HE2 PHE A 67 -4.176 -14.628 -49.330 1.00 1.00 H new ATOM 0 HZ PHE A 67 -3.942 -17.007 -48.735 1.00 1.00 H new ATOM 424 N MET A 68 1.104 -11.606 -48.224 1.00 1.00 N ATOM 425 CA MET A 68 1.384 -10.912 -49.476 1.00 1.00 C ATOM 426 C MET A 68 2.837 -11.111 -49.894 1.00 1.00 C ATOM 427 O MET A 68 3.224 -10.765 -51.010 1.00 1.00 O ATOM 428 CB MET A 68 1.082 -9.419 -49.334 1.00 1.00 C ATOM 429 CG MET A 68 -0.333 -9.127 -48.863 1.00 1.00 C ATOM 430 SD MET A 68 -1.503 -8.980 -50.227 1.00 1.00 S ATOM 431 CE MET A 68 -2.970 -9.700 -49.494 1.00 1.00 C ATOM 0 H MET A 68 0.979 -10.992 -47.419 1.00 1.00 H new ATOM 0 HA MET A 68 0.741 -11.334 -50.249 1.00 1.00 H new ATOM 0 HB2 MET A 68 1.788 -8.979 -48.630 1.00 1.00 H new ATOM 0 HB3 MET A 68 1.244 -8.931 -50.295 1.00 1.00 H new ATOM 0 HG2 MET A 68 -0.660 -9.922 -48.193 1.00 1.00 H new ATOM 0 HG3 MET A 68 -0.336 -8.202 -48.286 1.00 1.00 H new ATOM 0 HE1 MET A 68 -3.785 -9.681 -50.218 1.00 1.00 H new ATOM 0 HE2 MET A 68 -2.764 -10.731 -49.206 1.00 1.00 H new ATOM 0 HE3 MET A 68 -3.255 -9.127 -48.612 1.00 1.00 H new ATOM 441 N ARG A 69 3.637 -11.671 -48.992 1.00 1.00 N ATOM 442 CA ARG A 69 5.048 -11.914 -49.268 1.00 1.00 C ATOM 443 C ARG A 69 5.216 -13.037 -50.287 1.00 1.00 C ATOM 444 O ARG A 69 6.316 -13.275 -50.787 1.00 1.00 O ATOM 445 CB ARG A 69 5.788 -12.267 -47.977 1.00 1.00 C ATOM 446 CG ARG A 69 6.362 -11.060 -47.254 1.00 1.00 C ATOM 447 CD ARG A 69 7.796 -11.305 -46.810 1.00 1.00 C ATOM 448 NE ARG A 69 7.960 -12.617 -46.190 1.00 1.00 N ATOM 449 CZ ARG A 69 9.138 -13.203 -46.011 1.00 1.00 C ATOM 450 NH1 ARG A 69 10.250 -12.596 -46.401 1.00 1.00 N ATOM 451 NH2 ARG A 69 9.206 -14.398 -45.439 1.00 1.00 N ATOM 0 H ARG A 69 3.332 -11.965 -48.064 1.00 1.00 H new ATOM 0 HA ARG A 69 5.474 -11.001 -49.685 1.00 1.00 H new ATOM 0 HB2 ARG A 69 5.104 -12.789 -47.308 1.00 1.00 H new ATOM 0 HB3 ARG A 69 6.597 -12.959 -48.210 1.00 1.00 H new ATOM 0 HG2 ARG A 69 6.327 -10.191 -47.911 1.00 1.00 H new ATOM 0 HG3 ARG A 69 5.746 -10.828 -46.385 1.00 1.00 H new ATOM 0 HD2 ARG A 69 8.461 -11.225 -47.670 1.00 1.00 H new ATOM 0 HD3 ARG A 69 8.094 -10.530 -46.104 1.00 1.00 H new ATOM 0 HE ARG A 69 7.124 -13.110 -45.877 1.00 1.00 H new ATOM 0 HH11 ARG A 69 10.202 -11.676 -46.840 1.00 1.00 H new ATOM 0 HH12 ARG A 69 11.154 -13.048 -46.262 1.00 1.00 H new ATOM 0 HH21 ARG A 69 8.353 -14.868 -45.136 1.00 1.00 H new ATOM 0 HH22 ARG A 69 10.112 -14.847 -45.302 1.00 1.00 H new ATOM 465 N ARG A 70 4.120 -13.723 -50.591 1.00 1.00 N ATOM 466 CA ARG A 70 4.147 -14.822 -51.549 1.00 1.00 C ATOM 467 C ARG A 70 3.975 -14.304 -52.974 1.00 1.00 C ATOM 468 O ARG A 70 4.643 -14.769 -53.898 1.00 1.00 O ATOM 469 CB ARG A 70 3.046 -15.835 -51.227 1.00 1.00 C ATOM 470 CG ARG A 70 3.004 -16.243 -49.763 1.00 1.00 C ATOM 471 CD ARG A 70 2.054 -17.409 -49.538 1.00 1.00 C ATOM 472 NE ARG A 70 2.537 -18.637 -50.163 1.00 1.00 N ATOM 473 CZ ARG A 70 3.456 -19.426 -49.619 1.00 1.00 C ATOM 474 NH1 ARG A 70 3.989 -19.118 -48.445 1.00 1.00 N ATOM 475 NH2 ARG A 70 3.844 -20.527 -50.250 1.00 1.00 N ATOM 0 H ARG A 70 3.202 -13.537 -50.188 1.00 1.00 H new ATOM 0 HA ARG A 70 5.117 -15.314 -51.473 1.00 1.00 H new ATOM 0 HB2 ARG A 70 2.081 -15.411 -51.505 1.00 1.00 H new ATOM 0 HB3 ARG A 70 3.192 -16.725 -51.840 1.00 1.00 H new ATOM 0 HG2 ARG A 70 4.005 -16.519 -49.432 1.00 1.00 H new ATOM 0 HG3 ARG A 70 2.690 -15.394 -49.156 1.00 1.00 H new ATOM 0 HD2 ARG A 70 1.928 -17.572 -48.468 1.00 1.00 H new ATOM 0 HD3 ARG A 70 1.072 -17.159 -49.940 1.00 1.00 H new ATOM 0 HE ARG A 70 2.147 -18.903 -51.067 1.00 1.00 H new ATOM 0 HH11 ARG A 70 3.693 -18.273 -47.957 1.00 1.00 H new ATOM 0 HH12 ARG A 70 4.695 -19.726 -48.030 1.00 1.00 H new ATOM 0 HH21 ARG A 70 3.436 -20.768 -51.153 1.00 1.00 H new ATOM 0 HH22 ARG A 70 4.550 -21.133 -49.832 1.00 1.00 H new