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 0.514 7.647 -0.248 1.00 23.43 N ATOM 116 CA GLU A 7 1.179 6.366 -0.037 1.00 43.01 C ATOM 117 C GLU A 7 2.441 6.262 -0.889 1.00 23.24 C ATOM 118 O GLU A 7 3.445 5.690 -0.463 1.00 33.53 O ATOM 119 CB GLU A 7 0.230 5.213 -0.369 1.00 62.32 C ATOM 120 CG GLU A 7 -1.133 5.337 0.290 1.00 52.42 C ATOM 121 CD GLU A 7 -1.639 4.017 0.839 1.00 42.52 C ATOM 122 OE1 GLU A 7 -0.866 3.334 1.543 1.00 74.43 O ATOM 123 OE2 GLU A 7 -2.806 3.668 0.565 1.00 41.23 O ATOM 0 HA GLU A 7 1.464 6.302 1.013 1.00 43.01 H new ATOM 0 HB2 GLU A 7 0.098 5.162 -1.450 1.00 62.32 H new ATOM 0 HB3 GLU A 7 0.690 4.275 -0.059 1.00 62.32 H new ATOM 0 HG2 GLU A 7 -1.076 6.065 1.100 1.00 52.42 H new ATOM 0 HG3 GLU A 7 -1.849 5.723 -0.435 1.00 52.42 H new ATOM 130 N ARG A 8 2.382 6.819 -2.094 1.00 24.51 N ATOM 131 CA ARG A 8 3.519 6.787 -3.006 1.00 41.04 C ATOM 132 C ARG A 8 4.556 7.838 -2.620 1.00 20.54 C ATOM 133 O ARG A 8 5.621 7.928 -3.230 1.00 23.31 O ATOM 134 CB ARG A 8 3.052 7.021 -4.444 1.00 65.24 C ATOM 135 CG ARG A 8 3.471 5.922 -5.407 1.00 24.40 C ATOM 136 CD ARG A 8 2.267 5.175 -5.959 1.00 12.33 C ATOM 137 NE ARG A 8 2.601 3.808 -6.348 1.00 44.24 N ATOM 138 CZ ARG A 8 1.803 3.035 -7.075 1.00 74.15 C ATOM 139 NH1 ARG A 8 0.629 3.492 -7.490 1.00 42.30 N ATOM 140 NH2 ARG A 8 2.177 1.801 -7.390 1.00 4.52 N ATOM 0 H ARG A 8 1.560 7.298 -2.461 1.00 24.51 H new ATOM 0 HA ARG A 8 3.981 5.802 -2.936 1.00 41.04 H new ATOM 0 HB2 ARG A 8 1.965 7.107 -4.455 1.00 65.24 H new ATOM 0 HB3 ARG A 8 3.451 7.972 -4.796 1.00 65.24 H new ATOM 0 HG2 ARG A 8 4.040 6.355 -6.230 1.00 24.40 H new ATOM 0 HG3 ARG A 8 4.132 5.222 -4.896 1.00 24.40 H new ATOM 0 HD2 ARG A 8 1.477 5.155 -5.208 1.00 12.33 H new ATOM 0 HD3 ARG A 8 1.873 5.711 -6.822 1.00 12.33 H new ATOM 0 HE ARG A 8 3.497 3.426 -6.045 1.00 44.24 H new ATOM 0 HH11 ARG A 8 0.337 4.440 -7.251 1.00 42.30 H new ATOM 0 HH12 ARG A 8 0.018 2.896 -8.048 1.00 42.30 H new ATOM 0 HH21 ARG A 8 3.079 1.445 -7.073 1.00 4.52 H new ATOM 0 HH22 ARG A 8 1.562 1.209 -7.949 1.00 4.52 H new ATOM 154 N VAL A 9 4.236 8.631 -1.602 1.00 23.52 N ATOM 155 CA VAL A 9 5.140 9.674 -1.133 1.00 12.41 C ATOM 156 C VAL A 9 5.785 9.288 0.193 1.00 14.25 C ATOM 157 O VAL A 9 6.756 9.907 0.626 1.00 21.04 O ATOM 158 CB VAL A 9 4.405 11.017 -0.962 1.00 42.42 C ATOM 159 CG1 VAL A 9 5.374 12.104 -0.520 1.00 71.35 C ATOM 160 CG2 VAL A 9 3.705 11.409 -2.255 1.00 1.33 C ATOM 0 H VAL A 9 3.358 8.571 -1.087 1.00 23.52 H new ATOM 0 HA VAL A 9 5.915 9.785 -1.891 1.00 12.41 H new ATOM 0 HB VAL A 9 3.648 10.901 -0.186 1.00 42.42 H new ATOM 0 HG11 VAL A 9 4.837 13.045 -0.404 1.00 71.35 H new ATOM 0 HG12 VAL A 9 5.825 11.824 0.432 1.00 71.35 H new ATOM 0 HG13 VAL A 9 6.155 12.222 -1.271 1.00 71.35 H new ATOM 0 HG21 VAL A 9 3.191 12.360 -2.116 1.00 1.33 H new ATOM 0 HG22 VAL A 9 4.442 11.508 -3.052 1.00 1.33 H new ATOM 0 HG23 VAL A 9 2.980 10.640 -2.524 1.00 1.33 H new ATOM 170 N ALA A 10 5.237 8.260 0.834 1.00 2.41 N ATOM 171 CA ALA A 10 5.761 7.789 2.110 1.00 15.44 C ATOM 172 C ALA A 10 6.436 6.431 1.959 1.00 72.50 C ATOM 173 O ALA A 10 7.313 6.071 2.745 1.00 31.43 O ATOM 174 CB ALA A 10 4.645 7.715 3.143 1.00 64.32 C ATOM 0 H ALA A 10 4.431 7.738 0.490 1.00 2.41 H new ATOM 0 HA ALA A 10 6.512 8.501 2.452 1.00 15.44 H new ATOM 0 HB1 ALA A 10 5.050 7.362 4.091 1.00 64.32 H new ATOM 0 HB2 ALA A 10 4.210 8.705 3.280 1.00 64.32 H new ATOM 0 HB3 ALA A 10 3.875 7.025 2.798 1.00 64.32 H new ATOM 180 N LEU A 11 6.022 5.679 0.945 1.00 53.23 N ATOM 181 CA LEU A 11 6.587 4.358 0.690 1.00 15.45 C ATOM 182 C LEU A 11 7.786 4.450 -0.247 1.00 42.41 C ATOM 183 O LEU A 11 8.672 3.595 -0.225 1.00 12.53 O ATOM 184 CB LEU A 11 5.525 3.435 0.090 1.00 40.21 C ATOM 185 CG LEU A 11 4.507 2.854 1.072 1.00 3.21 C ATOM 186 CD1 LEU A 11 3.097 2.984 0.518 1.00 32.15 C ATOM 187 CD2 LEU A 11 4.831 1.399 1.377 1.00 71.23 C ATOM 0 H LEU A 11 5.297 5.961 0.286 1.00 53.23 H new ATOM 0 HA LEU A 11 6.924 3.944 1.640 1.00 15.45 H new ATOM 0 HB2 LEU A 11 4.984 3.988 -0.678 1.00 40.21 H new ATOM 0 HB3 LEU A 11 6.031 2.608 -0.409 1.00 40.21 H new ATOM 0 HG LEU A 11 4.563 3.420 2.002 1.00 3.21 H new ATOM 0 HD11 LEU A 11 2.386 2.565 1.230 1.00 32.15 H new ATOM 0 HD12 LEU A 11 2.867 4.036 0.352 1.00 32.15 H new ATOM 0 HD13 LEU A 11 3.026 2.444 -0.426 1.00 32.15 H new ATOM 0 HD21 LEU A 11 4.096 1.002 2.077 1.00 71.23 H new ATOM 0 HD22 LEU A 11 4.804 0.819 0.455 1.00 71.23 H new ATOM 0 HD23 LEU A 11 5.826 1.332 1.818 1.00 71.23 H new ATOM 199 N PHE A 12 7.809 5.494 -1.069 1.00 45.31 N ATOM 200 CA PHE A 12 8.901 5.699 -2.014 1.00 2.21 C ATOM 201 C PHE A 12 9.898 6.723 -1.479 1.00 65.20 C ATOM 202 O PHE A 12 11.071 6.716 -1.851 1.00 2.14 O ATOM 203 CB PHE A 12 8.354 6.162 -3.366 1.00 31.12 C ATOM 204 CG PHE A 12 8.536 5.153 -4.463 1.00 64.04 C ATOM 205 CD1 PHE A 12 9.805 4.752 -4.850 1.00 1.10 C ATOM 206 CD2 PHE A 12 7.439 4.606 -5.109 1.00 62.00 C ATOM 207 CE1 PHE A 12 9.977 3.824 -5.859 1.00 74.45 C ATOM 208 CE2 PHE A 12 7.605 3.677 -6.119 1.00 34.12 C ATOM 209 CZ PHE A 12 8.875 3.286 -6.495 1.00 52.23 C ATOM 0 H PHE A 12 7.084 6.211 -1.100 1.00 45.31 H new ATOM 0 HA PHE A 12 9.418 4.748 -2.145 1.00 2.21 H new ATOM 0 HB2 PHE A 12 7.292 6.386 -3.262 1.00 31.12 H new ATOM 0 HB3 PHE A 12 8.849 7.090 -3.651 1.00 31.12 H new ATOM 0 HD1 PHE A 12 10.670 5.170 -4.357 1.00 1.10 H new ATOM 0 HD2 PHE A 12 6.443 4.909 -4.820 1.00 62.00 H new ATOM 0 HE1 PHE A 12 10.972 3.520 -6.150 1.00 74.45 H new ATOM 0 HE2 PHE A 12 6.742 3.257 -6.614 1.00 34.12 H new ATOM 0 HZ PHE A 12 9.006 2.561 -7.285 1.00 52.23 H new ATOM 219 N GLY A 13 9.422 7.603 -0.603 1.00 62.15 N ATOM 220 CA GLY A 13 10.284 8.621 -0.032 1.00 12.22 C ATOM 221 C GLY A 13 10.972 8.154 1.235 1.00 64.50 C ATOM 222 O GLY A 13 11.965 8.742 1.664 1.00 21.31 O ATOM 0 H GLY A 13 8.455 7.629 -0.279 1.00 62.15 H new ATOM 0 HA2 GLY A 13 11.037 8.908 -0.766 1.00 12.22 H new ATOM 0 HA3 GLY A 13 9.694 9.512 0.185 1.00 12.22 H new ATOM 226 N VAL A 14 10.444 7.093 1.837 1.00 60.30 N ATOM 227 CA VAL A 14 11.014 6.546 3.063 1.00 51.52 C ATOM 228 C VAL A 14 11.662 5.190 2.811 1.00 62.13 C ATOM 229 O VAL A 14 12.604 4.801 3.503 1.00 40.21 O ATOM 230 CB VAL A 14 9.944 6.396 4.161 1.00 60.24 C ATOM 231 CG1 VAL A 14 10.586 6.003 5.482 1.00 5.53 C ATOM 232 CG2 VAL A 14 9.147 7.683 4.307 1.00 33.12 C ATOM 0 H VAL A 14 9.622 6.595 1.496 1.00 60.30 H new ATOM 0 HA VAL A 14 11.774 7.251 3.401 1.00 51.52 H new ATOM 0 HB VAL A 14 9.257 5.602 3.869 1.00 60.24 H new ATOM 0 HG11 VAL A 14 9.815 5.902 6.245 1.00 5.53 H new ATOM 0 HG12 VAL A 14 11.107 5.053 5.365 1.00 5.53 H new ATOM 0 HG13 VAL A 14 11.297 6.772 5.784 1.00 5.53 H new ATOM 0 HG21 VAL A 14 8.396 7.559 5.087 1.00 33.12 H new ATOM 0 HG22 VAL A 14 9.819 8.498 4.576 1.00 33.12 H new ATOM 0 HG23 VAL A 14 8.655 7.915 3.363 1.00 33.12 H new ATOM 242 N LEU A 15 11.153 4.473 1.815 1.00 13.01 N ATOM 243 CA LEU A 15 11.682 3.158 1.470 1.00 44.32 C ATOM 244 C LEU A 15 12.406 3.198 0.128 1.00 41.13 C ATOM 245 O LEU A 15 13.285 2.380 -0.140 1.00 3.25 O ATOM 246 CB LEU A 15 10.553 2.128 1.423 1.00 71.13 C ATOM 247 CG LEU A 15 10.828 0.798 2.126 1.00 72.05 C ATOM 248 CD1 LEU A 15 12.127 0.187 1.623 1.00 54.12 C ATOM 249 CD2 LEU A 15 10.876 0.992 3.634 1.00 2.01 C ATOM 0 H LEU A 15 10.374 4.780 1.232 1.00 13.01 H new ATOM 0 HA LEU A 15 12.397 2.868 2.240 1.00 44.32 H new ATOM 0 HB2 LEU A 15 9.663 2.574 1.867 1.00 71.13 H new ATOM 0 HB3 LEU A 15 10.319 1.922 0.378 1.00 71.13 H new ATOM 0 HG LEU A 15 10.014 0.111 1.894 1.00 72.05 H new ATOM 0 HD11 LEU A 15 12.306 -0.759 2.134 1.00 54.12 H new ATOM 0 HD12 LEU A 15 12.055 0.011 0.550 1.00 54.12 H new ATOM 0 HD13 LEU A 15 12.952 0.870 1.824 1.00 54.12 H new ATOM 0 HD21 LEU A 15 11.073 0.035 4.118 1.00 2.01 H new ATOM 0 HD22 LEU A 15 11.670 1.696 3.885 1.00 2.01 H new ATOM 0 HD23 LEU A 15 9.920 1.384 3.981 1.00 2.01 H new ATOM 261 N GLY A 16 12.031 4.157 -0.713 1.00 51.42 N ATOM 262 CA GLY A 16 12.656 4.288 -2.017 1.00 34.55 C ATOM 263 C GLY A 16 13.735 5.351 -2.038 1.00 41.55 C ATOM 264 O GLY A 16 14.558 5.391 -2.952 1.00 44.12 O ATOM 0 H GLY A 16 11.305 4.846 -0.515 1.00 51.42 H new ATOM 0 HA2 GLY A 16 13.088 3.330 -2.307 1.00 34.55 H new ATOM 0 HA3 GLY A 16 11.895 4.532 -2.758 1.00 34.55 H new ATOM 268 N ALA A 17 13.731 6.217 -1.030 1.00 52.43 N ATOM 269 CA ALA A 17 14.717 7.287 -0.937 1.00 61.44 C ATOM 270 C ALA A 17 15.843 6.913 0.021 1.00 62.14 C ATOM 271 O ALA A 17 16.984 7.343 -0.150 1.00 33.44 O ATOM 272 CB ALA A 17 14.052 8.581 -0.494 1.00 0.11 C ATOM 0 H ALA A 17 13.056 6.199 -0.266 1.00 52.43 H new ATOM 0 HA ALA A 17 15.151 7.435 -1.926 1.00 61.44 H new ATOM 0 HB1 ALA A 17 14.800 9.371 -0.429 1.00 0.11 H new ATOM 0 HB2 ALA A 17 13.288 8.864 -1.218 1.00 0.11 H new ATOM 0 HB3 ALA A 17 13.591 8.437 0.483 1.00 0.11 H new ATOM 278 N ALA A 18 15.515 6.111 1.028 1.00 31.12 N ATOM 279 CA ALA A 18 16.499 5.679 2.012 1.00 23.34 C ATOM 280 C ALA A 18 16.927 4.236 1.764 1.00 13.05 C ATOM 281 O ALA A 18 17.239 3.500 2.702 1.00 44.52 O ATOM 282 CB ALA A 18 15.941 5.831 3.420 1.00 51.45 C ATOM 0 H ALA A 18 14.575 5.747 1.184 1.00 31.12 H new ATOM 0 HA ALA A 18 17.379 6.314 1.911 1.00 23.34 H new ATOM 0 HB1 ALA A 18 16.687 5.504 4.144 1.00 51.45 H new ATOM 0 HB2 ALA A 18 15.692 6.876 3.602 1.00 51.45 H new ATOM 0 HB3 ALA A 18 15.044 5.221 3.524 1.00 51.45 H new ATOM 288 N LEU A 19 16.937 3.837 0.498 1.00 64.34 N ATOM 289 CA LEU A 19 17.326 2.480 0.126 1.00 1.52 C ATOM 290 C LEU A 19 18.212 2.489 -1.116 1.00 32.34 C ATOM 291 O LEU A 19 19.301 1.914 -1.117 1.00 0.42 O ATOM 292 CB LEU A 19 16.084 1.624 -0.125 1.00 21.41 C ATOM 293 CG LEU A 19 16.336 0.140 -0.396 1.00 32.13 C ATOM 294 CD1 LEU A 19 16.295 -0.654 0.901 1.00 42.21 C ATOM 295 CD2 LEU A 19 15.316 -0.402 -1.387 1.00 2.20 C ATOM 0 H LEU A 19 16.680 4.433 -0.289 1.00 64.34 H new ATOM 0 HA LEU A 19 17.894 2.051 0.951 1.00 1.52 H new ATOM 0 HB2 LEU A 19 15.428 1.708 0.741 1.00 21.41 H new ATOM 0 HB3 LEU A 19 15.545 2.042 -0.975 1.00 21.41 H new ATOM 0 HG LEU A 19 17.329 0.034 -0.832 1.00 32.13 H new ATOM 0 HD11 LEU A 19 16.476 -1.708 0.689 1.00 42.21 H new ATOM 0 HD12 LEU A 19 17.064 -0.283 1.579 1.00 42.21 H new ATOM 0 HD13 LEU A 19 15.316 -0.541 1.366 1.00 42.21 H new ATOM 0 HD21 LEU A 19 15.511 -1.459 -1.568 1.00 2.20 H new ATOM 0 HD22 LEU A 19 14.313 -0.283 -0.978 1.00 2.20 H new ATOM 0 HD23 LEU A 19 15.393 0.147 -2.326 1.00 2.20 H new ATOM 307 N ILE A 20 17.738 3.145 -2.170 1.00 30.44 N ATOM 308 CA ILE A 20 18.489 3.230 -3.416 1.00 55.21 C ATOM 309 C ILE A 20 19.886 3.793 -3.179 1.00 53.30 C ATOM 310 O ILE A 20 20.804 3.553 -3.961 1.00 42.24 O ATOM 311 CB ILE A 20 17.762 4.109 -4.451 1.00 60.15 C ATOM 312 CG1 ILE A 20 16.349 3.579 -4.701 1.00 34.43 C ATOM 313 CG2 ILE A 20 18.552 4.159 -5.751 1.00 34.10 C ATOM 314 CD1 ILE A 20 15.527 4.457 -5.618 1.00 34.12 C ATOM 0 H ILE A 20 16.838 3.625 -2.186 1.00 30.44 H new ATOM 0 HA ILE A 20 18.571 2.215 -3.806 1.00 55.21 H new ATOM 0 HB ILE A 20 17.685 5.122 -4.055 1.00 60.15 H new ATOM 0 HG12 ILE A 20 16.416 2.580 -5.132 1.00 34.43 H new ATOM 0 HG13 ILE A 20 15.832 3.481 -3.746 1.00 34.43 H new ATOM 0 HG21 ILE A 20 18.026 4.784 -6.473 1.00 34.10 H new ATOM 0 HG22 ILE A 20 19.540 4.578 -5.560 1.00 34.10 H new ATOM 0 HG23 ILE A 20 18.657 3.151 -6.152 1.00 34.10 H new ATOM 0 HD11 ILE A 20 14.537 4.019 -5.750 1.00 34.12 H new ATOM 0 HD12 ILE A 20 15.429 5.450 -5.180 1.00 34.12 H new ATOM 0 HD13 ILE A 20 16.021 4.535 -6.586 1.00 34.12 H new ATOM 326 N GLY A 21 20.039 4.543 -2.092 1.00 1.33 N ATOM 327 CA GLY A 21 21.328 5.128 -1.769 1.00 73.34 C ATOM 328 C GLY A 21 22.188 4.206 -0.928 1.00 1.22 C ATOM 329 O GLY A 21 23.180 4.637 -0.340 1.00 70.25 O ATOM 0 H GLY A 21 19.294 4.756 -1.429 1.00 1.33 H new ATOM 0 HA2 GLY A 21 21.855 5.370 -2.692 1.00 73.34 H new ATOM 0 HA3 GLY A 21 21.175 6.065 -1.234 1.00 73.34 H new ATOM 333 N ALA A 22 21.807 2.934 -0.868 1.00 11.43 N ATOM 334 CA ALA A 22 22.551 1.950 -0.092 1.00 32.20 C ATOM 335 C ALA A 22 22.317 0.540 -0.625 1.00 52.40 C ATOM 336 O ALA A 22 22.508 -0.443 0.090 1.00 25.43 O ATOM 337 CB ALA A 22 22.162 2.032 1.377 1.00 42.03 C ATOM 0 H ALA A 22 20.988 2.561 -1.348 1.00 11.43 H new ATOM 0 HA ALA A 22 23.613 2.176 -0.188 1.00 32.20 H new ATOM 0 HB1 ALA A 22 22.725 1.291 1.944 1.00 42.03 H new ATOM 0 HB2 ALA A 22 22.386 3.028 1.758 1.00 42.03 H new ATOM 0 HB3 ALA A 22 21.095 1.835 1.482 1.00 42.03 H new ATOM 343 N ILE A 23 21.901 0.450 -1.884 1.00 3.41 N ATOM 344 CA ILE A 23 21.642 -0.839 -2.512 1.00 32.22 C ATOM 345 C ILE A 23 22.081 -0.838 -3.972 1.00 24.11 C ATOM 346 O ILE A 23 22.625 -1.825 -4.468 1.00 13.51 O ATOM 347 CB ILE A 23 20.149 -1.212 -2.437 1.00 3.40 C ATOM 348 CG1 ILE A 23 19.298 -0.135 -3.114 1.00 62.53 C ATOM 349 CG2 ILE A 23 19.722 -1.399 -0.989 1.00 0.11 C ATOM 350 CD1 ILE A 23 18.917 -0.474 -4.538 1.00 75.42 C ATOM 0 H ILE A 23 21.736 1.255 -2.489 1.00 3.41 H new ATOM 0 HA ILE A 23 22.222 -1.580 -1.961 1.00 32.22 H new ATOM 0 HB ILE A 23 19.998 -2.154 -2.964 1.00 3.40 H new ATOM 0 HG12 ILE A 23 18.390 0.020 -2.530 1.00 62.53 H new ATOM 0 HG13 ILE A 23 19.846 0.807 -3.107 1.00 62.53 H new ATOM 0 HG21 ILE A 23 18.665 -1.662 -0.952 1.00 0.11 H new ATOM 0 HG22 ILE A 23 20.310 -2.197 -0.536 1.00 0.11 H new ATOM 0 HG23 ILE A 23 19.884 -0.472 -0.439 1.00 0.11 H new ATOM 0 HD11 ILE A 23 18.315 0.333 -4.955 1.00 75.42 H new ATOM 0 HD12 ILE A 23 19.820 -0.600 -5.136 1.00 75.42 H new ATOM 0 HD13 ILE A 23 18.342 -1.400 -4.550 1.00 75.42 H new ATOM 362 N ALA A 24 21.844 0.277 -4.655 1.00 11.12 N ATOM 363 CA ALA A 24 22.219 0.409 -6.057 1.00 72.42 C ATOM 364 C ALA A 24 21.810 1.770 -6.610 1.00 33.25 C ATOM 365 O ALA A 24 20.991 1.875 -7.523 1.00 42.42 O ATOM 366 CB ALA A 24 21.590 -0.707 -6.878 1.00 73.24 C ATOM 0 H ALA A 24 21.394 1.102 -4.260 1.00 11.12 H new ATOM 0 HA ALA A 24 23.304 0.330 -6.126 1.00 72.42 H new ATOM 0 HB1 ALA A 24 21.878 -0.596 -7.923 1.00 73.24 H new ATOM 0 HB2 ALA A 24 21.936 -1.671 -6.506 1.00 73.24 H new ATOM 0 HB3 ALA A 24 20.505 -0.654 -6.793 1.00 73.24 H new