USER MOD reduce.3.24.130724 H: found=0, std=0, add=134, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 135 hydrogens (0 hets) ATOM 115 N GLU A 7 -0.246 8.118 0.449 1.00 14.10 N ATOM 116 CA GLU A 7 0.514 6.932 0.824 1.00 63.24 C ATOM 117 C GLU A 7 1.758 6.785 -0.048 1.00 41.52 C ATOM 118 O GLU A 7 2.820 6.383 0.429 1.00 55.43 O ATOM 119 CB GLU A 7 -0.357 5.680 0.702 1.00 55.33 C ATOM 120 CG GLU A 7 -0.913 5.194 2.030 1.00 64.53 C ATOM 121 CD GLU A 7 -2.406 4.936 1.979 1.00 51.05 C ATOM 122 OE1 GLU A 7 -3.138 5.799 1.451 1.00 55.23 O ATOM 123 OE2 GLU A 7 -2.842 3.873 2.466 1.00 35.40 O ATOM 0 HA GLU A 7 0.829 7.047 1.861 1.00 63.24 H new ATOM 0 HB2 GLU A 7 -1.186 5.889 0.025 1.00 55.33 H new ATOM 0 HB3 GLU A 7 0.231 4.881 0.250 1.00 55.33 H new ATOM 0 HG2 GLU A 7 -0.400 4.277 2.321 1.00 64.53 H new ATOM 0 HG3 GLU A 7 -0.703 5.935 2.801 1.00 64.53 H new ATOM 130 N ARG A 8 1.618 7.114 -1.328 1.00 43.23 N ATOM 131 CA ARG A 8 2.729 7.018 -2.268 1.00 22.14 C ATOM 132 C ARG A 8 3.796 8.064 -1.957 1.00 53.23 C ATOM 133 O ARG A 8 4.945 7.938 -2.379 1.00 24.00 O ATOM 134 CB ARG A 8 2.229 7.194 -3.702 1.00 54.33 C ATOM 135 CG ARG A 8 3.258 6.821 -4.757 1.00 11.53 C ATOM 136 CD ARG A 8 3.012 7.562 -6.062 1.00 34.10 C ATOM 137 NE ARG A 8 4.255 7.848 -6.772 1.00 3.31 N ATOM 138 CZ ARG A 8 5.140 8.753 -6.368 1.00 64.22 C ATOM 139 NH1 ARG A 8 4.920 9.455 -5.265 1.00 71.32 N ATOM 140 NH2 ARG A 8 6.249 8.956 -7.068 1.00 42.31 N ATOM 0 H ARG A 8 0.746 7.449 -1.738 1.00 43.23 H new ATOM 0 HA ARG A 8 3.174 6.028 -2.166 1.00 22.14 H new ATOM 0 HB2 ARG A 8 1.338 6.583 -3.844 1.00 54.33 H new ATOM 0 HB3 ARG A 8 1.931 8.232 -3.849 1.00 54.33 H new ATOM 0 HG2 ARG A 8 4.258 7.052 -4.389 1.00 11.53 H new ATOM 0 HG3 ARG A 8 3.224 5.746 -4.936 1.00 11.53 H new ATOM 0 HD2 ARG A 8 2.359 6.966 -6.700 1.00 34.10 H new ATOM 0 HD3 ARG A 8 2.489 8.496 -5.855 1.00 34.10 H new ATOM 0 HE ARG A 8 4.455 7.325 -7.624 1.00 3.31 H new ATOM 0 HH11 ARG A 8 4.069 9.301 -4.724 1.00 71.32 H new ATOM 0 HH12 ARG A 8 5.601 10.149 -4.958 1.00 71.32 H new ATOM 0 HH21 ARG A 8 6.422 8.417 -7.917 1.00 42.31 H new ATOM 0 HH22 ARG A 8 6.928 9.651 -6.757 1.00 42.31 H new ATOM 154 N VAL A 9 3.406 9.098 -1.218 1.00 20.32 N ATOM 155 CA VAL A 9 4.328 10.166 -0.850 1.00 61.34 C ATOM 156 C VAL A 9 5.123 9.800 0.398 1.00 1.20 C ATOM 157 O VAL A 9 6.204 10.338 0.638 1.00 54.03 O ATOM 158 CB VAL A 9 3.582 11.490 -0.601 1.00 43.13 C ATOM 159 CG1 VAL A 9 2.970 11.505 0.791 1.00 72.51 C ATOM 160 CG2 VAL A 9 4.519 12.673 -0.793 1.00 25.04 C ATOM 0 H VAL A 9 2.458 9.219 -0.862 1.00 20.32 H new ATOM 0 HA VAL A 9 5.013 10.296 -1.688 1.00 61.34 H new ATOM 0 HB VAL A 9 2.774 11.574 -1.328 1.00 43.13 H new ATOM 0 HG11 VAL A 9 2.447 12.448 0.948 1.00 72.51 H new ATOM 0 HG12 VAL A 9 2.265 10.679 0.888 1.00 72.51 H new ATOM 0 HG13 VAL A 9 3.758 11.398 1.536 1.00 72.51 H new ATOM 0 HG21 VAL A 9 3.975 13.601 -0.613 1.00 25.04 H new ATOM 0 HG22 VAL A 9 5.349 12.597 -0.091 1.00 25.04 H new ATOM 0 HG23 VAL A 9 4.904 12.670 -1.813 1.00 25.04 H new ATOM 170 N ALA A 10 4.581 8.881 1.190 1.00 15.54 N ATOM 171 CA ALA A 10 5.240 8.442 2.413 1.00 23.44 C ATOM 172 C ALA A 10 5.914 7.088 2.217 1.00 24.02 C ATOM 173 O ALA A 10 6.880 6.758 2.908 1.00 73.35 O ATOM 174 CB ALA A 10 4.240 8.374 3.558 1.00 51.32 C ATOM 0 H ALA A 10 3.687 8.426 1.006 1.00 15.54 H new ATOM 0 HA ALA A 10 6.011 9.171 2.662 1.00 23.44 H new ATOM 0 HB1 ALA A 10 4.747 8.045 4.465 1.00 51.32 H new ATOM 0 HB2 ALA A 10 3.807 9.361 3.722 1.00 51.32 H new ATOM 0 HB3 ALA A 10 3.448 7.668 3.308 1.00 51.32 H new ATOM 180 N LEU A 11 5.400 6.308 1.273 1.00 23.31 N ATOM 181 CA LEU A 11 5.953 4.988 0.986 1.00 14.33 C ATOM 182 C LEU A 11 7.171 5.094 0.075 1.00 41.41 C ATOM 183 O LEU A 11 7.975 4.166 -0.015 1.00 51.11 O ATOM 184 CB LEU A 11 4.891 4.100 0.336 1.00 71.41 C ATOM 185 CG LEU A 11 3.967 3.347 1.294 1.00 30.10 C ATOM 186 CD1 LEU A 11 2.527 3.414 0.810 1.00 52.10 C ATOM 187 CD2 LEU A 11 4.415 1.900 1.441 1.00 42.21 C ATOM 0 H LEU A 11 4.601 6.566 0.693 1.00 23.31 H new ATOM 0 HA LEU A 11 6.266 4.539 1.929 1.00 14.33 H new ATOM 0 HB2 LEU A 11 4.277 4.721 -0.316 1.00 71.41 H new ATOM 0 HB3 LEU A 11 5.395 3.371 -0.299 1.00 71.41 H new ATOM 0 HG LEU A 11 4.023 3.825 2.272 1.00 30.10 H new ATOM 0 HD11 LEU A 11 1.884 2.873 1.504 1.00 52.10 H new ATOM 0 HD12 LEU A 11 2.209 4.455 0.758 1.00 52.10 H new ATOM 0 HD13 LEU A 11 2.454 2.962 -0.179 1.00 52.10 H new ATOM 0 HD21 LEU A 11 3.746 1.380 2.126 1.00 42.21 H new ATOM 0 HD22 LEU A 11 4.389 1.411 0.467 1.00 42.21 H new ATOM 0 HD23 LEU A 11 5.431 1.872 1.835 1.00 42.21 H new ATOM 199 N PHE A 12 7.303 6.233 -0.598 1.00 71.31 N ATOM 200 CA PHE A 12 8.424 6.461 -1.502 1.00 3.12 C ATOM 201 C PHE A 12 9.493 7.322 -0.835 1.00 43.14 C ATOM 202 O PHE A 12 10.671 7.249 -1.184 1.00 11.22 O ATOM 203 CB PHE A 12 7.941 7.133 -2.789 1.00 0.34 C ATOM 204 CG PHE A 12 7.273 6.187 -3.745 1.00 10.22 C ATOM 205 CD1 PHE A 12 6.137 5.488 -3.369 1.00 4.13 C ATOM 206 CD2 PHE A 12 7.781 5.996 -5.020 1.00 0.42 C ATOM 207 CE1 PHE A 12 5.520 4.617 -4.246 1.00 70.14 C ATOM 208 CE2 PHE A 12 7.168 5.127 -5.902 1.00 33.02 C ATOM 209 CZ PHE A 12 6.037 4.435 -5.514 1.00 55.43 C ATOM 0 H PHE A 12 6.648 7.012 -0.534 1.00 71.31 H new ATOM 0 HA PHE A 12 8.862 5.494 -1.749 1.00 3.12 H new ATOM 0 HB2 PHE A 12 7.244 7.931 -2.533 1.00 0.34 H new ATOM 0 HB3 PHE A 12 8.791 7.600 -3.287 1.00 0.34 H new ATOM 0 HD1 PHE A 12 5.729 5.626 -2.379 1.00 4.13 H new ATOM 0 HD2 PHE A 12 8.666 6.533 -5.328 1.00 0.42 H new ATOM 0 HE1 PHE A 12 4.635 4.079 -3.941 1.00 70.14 H new ATOM 0 HE2 PHE A 12 7.573 4.989 -6.894 1.00 33.02 H new ATOM 0 HZ PHE A 12 5.558 3.753 -6.201 1.00 55.43 H new ATOM 219 N GLY A 13 9.073 8.139 0.126 1.00 33.41 N ATOM 220 CA GLY A 13 10.005 9.003 0.826 1.00 21.31 C ATOM 221 C GLY A 13 10.600 8.341 2.053 1.00 62.51 C ATOM 222 O GLY A 13 11.623 8.786 2.573 1.00 65.41 O ATOM 0 H GLY A 13 8.103 8.218 0.432 1.00 33.41 H new ATOM 0 HA2 GLY A 13 10.808 9.292 0.147 1.00 21.31 H new ATOM 0 HA3 GLY A 13 9.494 9.919 1.123 1.00 21.31 H new ATOM 226 N VAL A 14 9.957 7.274 2.519 1.00 43.25 N ATOM 227 CA VAL A 14 10.429 6.550 3.693 1.00 71.44 C ATOM 228 C VAL A 14 10.951 5.169 3.313 1.00 61.51 C ATOM 229 O VAL A 14 11.840 4.626 3.971 1.00 35.13 O ATOM 230 CB VAL A 14 9.312 6.393 4.742 1.00 41.53 C ATOM 231 CG1 VAL A 14 9.840 5.691 5.983 1.00 1.35 C ATOM 232 CG2 VAL A 14 8.722 7.750 5.097 1.00 73.24 C ATOM 0 H VAL A 14 9.108 6.893 2.101 1.00 43.25 H new ATOM 0 HA VAL A 14 11.241 7.137 4.122 1.00 71.44 H new ATOM 0 HB VAL A 14 8.520 5.778 4.316 1.00 41.53 H new ATOM 0 HG11 VAL A 14 9.037 5.589 6.713 1.00 1.35 H new ATOM 0 HG12 VAL A 14 10.211 4.703 5.712 1.00 1.35 H new ATOM 0 HG13 VAL A 14 10.651 6.277 6.415 1.00 1.35 H new ATOM 0 HG21 VAL A 14 7.934 7.621 5.839 1.00 73.24 H new ATOM 0 HG22 VAL A 14 9.504 8.391 5.505 1.00 73.24 H new ATOM 0 HG23 VAL A 14 8.305 8.211 4.202 1.00 73.24 H new ATOM 242 N LEU A 15 10.394 4.604 2.247 1.00 44.32 N ATOM 243 CA LEU A 15 10.804 3.285 1.778 1.00 42.13 C ATOM 244 C LEU A 15 11.563 3.388 0.458 1.00 20.25 C ATOM 245 O LEU A 15 12.357 2.512 0.118 1.00 42.34 O ATOM 246 CB LEU A 15 9.582 2.381 1.607 1.00 25.53 C ATOM 247 CG LEU A 15 9.699 0.976 2.201 1.00 11.44 C ATOM 248 CD1 LEU A 15 8.574 0.721 3.192 1.00 74.10 C ATOM 249 CD2 LEU A 15 9.689 -0.072 1.098 1.00 3.14 C ATOM 0 H LEU A 15 9.657 5.039 1.691 1.00 44.32 H new ATOM 0 HA LEU A 15 11.468 2.851 2.525 1.00 42.13 H new ATOM 0 HB2 LEU A 15 8.723 2.875 2.060 1.00 25.53 H new ATOM 0 HB3 LEU A 15 9.370 2.287 0.542 1.00 25.53 H new ATOM 0 HG LEU A 15 10.648 0.905 2.733 1.00 11.44 H new ATOM 0 HD11 LEU A 15 8.673 -0.283 3.605 1.00 74.10 H new ATOM 0 HD12 LEU A 15 8.627 1.452 3.999 1.00 74.10 H new ATOM 0 HD13 LEU A 15 7.614 0.811 2.684 1.00 74.10 H new ATOM 0 HD21 LEU A 15 9.773 -1.065 1.539 1.00 3.14 H new ATOM 0 HD22 LEU A 15 8.757 -0.002 0.538 1.00 3.14 H new ATOM 0 HD23 LEU A 15 10.530 0.099 0.426 1.00 3.14 H new ATOM 261 N GLY A 16 11.314 4.466 -0.280 1.00 31.55 N ATOM 262 CA GLY A 16 11.983 4.664 -1.552 1.00 10.11 C ATOM 263 C GLY A 16 13.179 5.589 -1.440 1.00 72.10 C ATOM 264 O GLY A 16 14.024 5.632 -2.333 1.00 64.21 O ATOM 0 H GLY A 16 10.661 5.205 -0.019 1.00 31.55 H new ATOM 0 HA2 GLY A 16 12.309 3.700 -1.942 1.00 10.11 H new ATOM 0 HA3 GLY A 16 11.275 5.076 -2.271 1.00 10.11 H new ATOM 268 N ALA A 17 13.249 6.332 -0.341 1.00 10.52 N ATOM 269 CA ALA A 17 14.350 7.261 -0.115 1.00 60.34 C ATOM 270 C ALA A 17 15.612 6.521 0.317 1.00 14.30 C ATOM 271 O ALA A 17 16.716 6.858 -0.108 1.00 3.32 O ATOM 272 CB ALA A 17 13.961 8.298 0.927 1.00 55.40 C ATOM 0 H ALA A 17 12.556 6.309 0.407 1.00 10.52 H new ATOM 0 HA ALA A 17 14.562 7.770 -1.055 1.00 60.34 H new ATOM 0 HB1 ALA A 17 14.793 8.985 1.085 1.00 55.40 H new ATOM 0 HB2 ALA A 17 13.092 8.855 0.579 1.00 55.40 H new ATOM 0 HB3 ALA A 17 13.720 7.798 1.865 1.00 55.40 H new ATOM 278 N ALA A 18 15.439 5.512 1.165 1.00 44.51 N ATOM 279 CA ALA A 18 16.564 4.725 1.654 1.00 63.14 C ATOM 280 C ALA A 18 16.792 3.494 0.783 1.00 44.25 C ATOM 281 O ALA A 18 17.470 2.549 1.190 1.00 53.41 O ATOM 282 CB ALA A 18 16.332 4.314 3.100 1.00 1.32 C ATOM 0 H ALA A 18 14.531 5.221 1.527 1.00 44.51 H new ATOM 0 HA ALA A 18 17.459 5.345 1.603 1.00 63.14 H new ATOM 0 HB1 ALA A 18 17.180 3.727 3.452 1.00 1.32 H new ATOM 0 HB2 ALA A 18 16.226 5.205 3.719 1.00 1.32 H new ATOM 0 HB3 ALA A 18 15.424 3.715 3.167 1.00 1.32 H new ATOM 288 N LEU A 19 16.223 3.511 -0.418 1.00 20.15 N ATOM 289 CA LEU A 19 16.364 2.395 -1.347 1.00 11.22 C ATOM 290 C LEU A 19 17.110 2.826 -2.606 1.00 32.13 C ATOM 291 O LEU A 19 17.623 1.991 -3.351 1.00 72.22 O ATOM 292 CB LEU A 19 14.988 1.840 -1.720 1.00 63.11 C ATOM 293 CG LEU A 19 14.958 0.389 -2.201 1.00 63.15 C ATOM 294 CD1 LEU A 19 13.841 -0.379 -1.513 1.00 14.11 C ATOM 295 CD2 LEU A 19 14.794 0.332 -3.713 1.00 63.23 C ATOM 0 H LEU A 19 15.660 4.285 -0.771 1.00 20.15 H new ATOM 0 HA LEU A 19 16.942 1.614 -0.854 1.00 11.22 H new ATOM 0 HB2 LEU A 19 14.335 1.927 -0.851 1.00 63.11 H new ATOM 0 HB3 LEU A 19 14.564 2.470 -2.502 1.00 63.11 H new ATOM 0 HG LEU A 19 15.907 -0.080 -1.940 1.00 63.15 H new ATOM 0 HD11 LEU A 19 13.836 -1.409 -1.868 1.00 14.11 H new ATOM 0 HD12 LEU A 19 14.002 -0.368 -0.435 1.00 14.11 H new ATOM 0 HD13 LEU A 19 12.883 0.089 -1.742 1.00 14.11 H new ATOM 0 HD21 LEU A 19 14.775 -0.708 -4.038 1.00 63.23 H new ATOM 0 HD22 LEU A 19 13.860 0.818 -3.996 1.00 63.23 H new ATOM 0 HD23 LEU A 19 15.629 0.845 -4.189 1.00 63.23 H new ATOM 307 N ILE A 20 17.167 4.133 -2.835 1.00 5.43 N ATOM 308 CA ILE A 20 17.854 4.675 -4.001 1.00 73.43 C ATOM 309 C ILE A 20 19.129 5.407 -3.598 1.00 62.33 C ATOM 310 O ILE A 20 19.242 6.619 -3.771 1.00 44.42 O ATOM 311 CB ILE A 20 16.948 5.640 -4.789 1.00 65.45 C ATOM 312 CG1 ILE A 20 15.586 4.995 -5.054 1.00 23.25 C ATOM 313 CG2 ILE A 20 17.614 6.040 -6.098 1.00 14.12 C ATOM 314 CD1 ILE A 20 15.660 3.767 -5.933 1.00 74.54 C ATOM 0 H ILE A 20 16.746 4.837 -2.229 1.00 5.43 H new ATOM 0 HA ILE A 20 18.111 3.828 -4.638 1.00 73.43 H new ATOM 0 HB ILE A 20 16.793 6.539 -4.192 1.00 65.45 H new ATOM 0 HG12 ILE A 20 15.130 4.723 -4.102 1.00 23.25 H new ATOM 0 HG13 ILE A 20 14.931 5.729 -5.523 1.00 23.25 H new ATOM 0 HG21 ILE A 20 16.962 6.722 -6.644 1.00 14.12 H new ATOM 0 HG22 ILE A 20 18.562 6.535 -5.888 1.00 14.12 H new ATOM 0 HG23 ILE A 20 17.795 5.150 -6.701 1.00 14.12 H new ATOM 0 HD11 ILE A 20 14.658 3.363 -6.078 1.00 74.54 H new ATOM 0 HD12 ILE A 20 16.086 4.036 -6.899 1.00 74.54 H new ATOM 0 HD13 ILE A 20 16.289 3.015 -5.456 1.00 74.54 H new ATOM 326 N GLY A 21 20.089 4.660 -3.061 1.00 22.11 N ATOM 327 CA GLY A 21 21.345 5.255 -2.643 1.00 64.42 C ATOM 328 C GLY A 21 22.228 4.277 -1.892 1.00 41.55 C ATOM 329 O GLY A 21 23.454 4.368 -1.949 1.00 1.40 O ATOM 0 H GLY A 21 20.019 3.654 -2.908 1.00 22.11 H new ATOM 0 HA2 GLY A 21 21.879 5.623 -3.519 1.00 64.42 H new ATOM 0 HA3 GLY A 21 21.142 6.118 -2.008 1.00 64.42 H new ATOM 333 N ALA A 22 21.604 3.341 -1.186 1.00 31.11 N ATOM 334 CA ALA A 22 22.341 2.343 -0.421 1.00 31.21 C ATOM 335 C ALA A 22 21.891 0.931 -0.783 1.00 13.45 C ATOM 336 O ALA A 22 22.094 -0.010 -0.016 1.00 32.43 O ATOM 337 CB ALA A 22 22.168 2.588 1.071 1.00 64.12 C ATOM 0 H ALA A 22 20.590 3.253 -1.128 1.00 31.11 H new ATOM 0 HA ALA A 22 23.397 2.435 -0.673 1.00 31.21 H new ATOM 0 HB1 ALA A 22 22.724 1.835 1.630 1.00 64.12 H new ATOM 0 HB2 ALA A 22 22.545 3.579 1.323 1.00 64.12 H new ATOM 0 HB3 ALA A 22 21.111 2.525 1.330 1.00 64.12 H new ATOM 343 N ILE A 23 21.278 0.793 -1.954 1.00 24.45 N ATOM 344 CA ILE A 23 20.800 -0.504 -2.416 1.00 20.32 C ATOM 345 C ILE A 23 21.188 -0.747 -3.870 1.00 42.24 C ATOM 346 O ILE A 23 21.954 -1.660 -4.175 1.00 63.40 O ATOM 347 CB ILE A 23 19.271 -0.622 -2.278 1.00 34.21 C ATOM 348 CG1 ILE A 23 18.825 -0.158 -0.890 1.00 14.21 C ATOM 349 CG2 ILE A 23 18.825 -2.054 -2.532 1.00 33.40 C ATOM 350 CD1 ILE A 23 19.380 -1.001 0.237 1.00 43.43 C ATOM 0 H ILE A 23 21.101 1.563 -2.599 1.00 24.45 H new ATOM 0 HA ILE A 23 21.273 -1.257 -1.786 1.00 20.32 H new ATOM 0 HB ILE A 23 18.803 0.021 -3.023 1.00 34.21 H new ATOM 0 HG12 ILE A 23 19.135 0.877 -0.745 1.00 14.21 H new ATOM 0 HG13 ILE A 23 17.736 -0.175 -0.843 1.00 14.21 H new ATOM 0 HG21 ILE A 23 17.742 -2.121 -2.431 1.00 33.40 H new ATOM 0 HG22 ILE A 23 19.114 -2.352 -3.540 1.00 33.40 H new ATOM 0 HG23 ILE A 23 19.299 -2.717 -1.808 1.00 33.40 H new ATOM 0 HD11 ILE A 23 19.022 -0.614 1.191 1.00 43.43 H new ATOM 0 HD12 ILE A 23 19.049 -2.033 0.117 1.00 43.43 H new ATOM 0 HD13 ILE A 23 20.469 -0.965 0.216 1.00 43.43 H new ATOM 362 N ALA A 24 20.655 0.079 -4.765 1.00 2.11 N ATOM 363 CA ALA A 24 20.949 -0.043 -6.187 1.00 52.24 C ATOM 364 C ALA A 24 21.143 1.328 -6.827 1.00 74.44 C ATOM 365 O ALA A 24 20.340 1.776 -7.646 1.00 12.40 O ATOM 366 CB ALA A 24 19.836 -0.804 -6.893 1.00 21.24 C ATOM 0 H ALA A 24 20.017 0.840 -4.530 1.00 2.11 H new ATOM 0 HA ALA A 24 21.880 -0.600 -6.294 1.00 52.24 H new ATOM 0 HB1 ALA A 24 20.069 -0.888 -7.955 1.00 21.24 H new ATOM 0 HB2 ALA A 24 19.746 -1.801 -6.462 1.00 21.24 H new ATOM 0 HB3 ALA A 24 18.894 -0.269 -6.769 1.00 21.24 H new