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 -0.213 8.535 0.480 1.00 12.23 N ATOM 116 CA GLU A 7 0.473 7.274 0.735 1.00 74.21 C ATOM 117 C GLU A 7 1.600 7.055 -0.270 1.00 72.21 C ATOM 118 O GLU A 7 2.641 6.489 0.063 1.00 44.21 O ATOM 119 CB GLU A 7 -0.516 6.108 0.671 1.00 74.03 C ATOM 120 CG GLU A 7 -0.850 5.517 2.030 1.00 23.03 C ATOM 121 CD GLU A 7 -2.336 5.547 2.331 1.00 4.10 C ATOM 122 OE1 GLU A 7 -3.114 4.988 1.530 1.00 42.33 O ATOM 123 OE2 GLU A 7 -2.720 6.129 3.367 1.00 53.14 O ATOM 0 HA GLU A 7 0.905 7.320 1.735 1.00 74.21 H new ATOM 0 HB2 GLU A 7 -1.436 6.449 0.197 1.00 74.03 H new ATOM 0 HB3 GLU A 7 -0.101 5.325 0.036 1.00 74.03 H new ATOM 0 HG2 GLU A 7 -0.496 4.487 2.071 1.00 23.03 H new ATOM 0 HG3 GLU A 7 -0.315 6.069 2.803 1.00 23.03 H new ATOM 130 N ARG A 8 1.383 7.506 -1.501 1.00 50.31 N ATOM 131 CA ARG A 8 2.379 7.358 -2.556 1.00 11.54 C ATOM 132 C ARG A 8 3.530 8.340 -2.357 1.00 64.12 C ATOM 133 O ARG A 8 4.621 8.150 -2.895 1.00 44.10 O ATOM 134 CB ARG A 8 1.737 7.579 -3.927 1.00 24.22 C ATOM 135 CG ARG A 8 2.735 7.576 -5.073 1.00 41.14 C ATOM 136 CD ARG A 8 3.544 6.289 -5.105 1.00 72.33 C ATOM 137 NE ARG A 8 3.549 5.678 -6.432 1.00 42.51 N ATOM 138 CZ ARG A 8 4.261 6.144 -7.452 1.00 44.02 C ATOM 139 NH1 ARG A 8 5.022 7.219 -7.298 1.00 40.01 N ATOM 140 NH2 ARG A 8 4.214 5.534 -8.629 1.00 61.44 N ATOM 0 H ARG A 8 0.527 7.977 -1.793 1.00 50.31 H new ATOM 0 HA ARG A 8 2.776 6.344 -2.508 1.00 11.54 H new ATOM 0 HB2 ARG A 8 0.994 6.800 -4.101 1.00 24.22 H new ATOM 0 HB3 ARG A 8 1.206 8.531 -3.921 1.00 24.22 H new ATOM 0 HG2 ARG A 8 2.206 7.698 -6.018 1.00 41.14 H new ATOM 0 HG3 ARG A 8 3.408 8.428 -4.973 1.00 41.14 H new ATOM 0 HD2 ARG A 8 4.569 6.497 -4.798 1.00 72.33 H new ATOM 0 HD3 ARG A 8 3.132 5.584 -4.383 1.00 72.33 H new ATOM 0 HE ARG A 8 2.975 4.849 -6.583 1.00 42.51 H new ATOM 0 HH11 ARG A 8 5.062 7.690 -6.394 1.00 40.01 H new ATOM 0 HH12 ARG A 8 5.568 7.574 -8.083 1.00 40.01 H new ATOM 0 HH21 ARG A 8 3.631 4.706 -8.751 1.00 61.44 H new ATOM 0 HH22 ARG A 8 4.761 5.893 -9.412 1.00 61.44 H new ATOM 154 N VAL A 9 3.279 9.390 -1.582 1.00 23.02 N ATOM 155 CA VAL A 9 4.294 10.401 -1.312 1.00 5.03 C ATOM 156 C VAL A 9 5.090 10.059 -0.057 1.00 45.22 C ATOM 157 O VAL A 9 6.159 10.620 0.184 1.00 21.21 O ATOM 158 CB VAL A 9 3.666 11.797 -1.143 1.00 35.21 C ATOM 159 CG1 VAL A 9 4.741 12.838 -0.871 1.00 33.23 C ATOM 160 CG2 VAL A 9 2.853 12.167 -2.374 1.00 51.14 C ATOM 0 H VAL A 9 2.381 9.563 -1.130 1.00 23.02 H new ATOM 0 HA VAL A 9 4.964 10.414 -2.172 1.00 5.03 H new ATOM 0 HB VAL A 9 2.994 11.772 -0.285 1.00 35.21 H new ATOM 0 HG11 VAL A 9 4.278 13.818 -0.755 1.00 33.23 H new ATOM 0 HG12 VAL A 9 5.276 12.579 0.043 1.00 33.23 H new ATOM 0 HG13 VAL A 9 5.441 12.865 -1.706 1.00 33.23 H new ATOM 0 HG21 VAL A 9 2.416 13.156 -2.238 1.00 51.14 H new ATOM 0 HG22 VAL A 9 3.502 12.174 -3.250 1.00 51.14 H new ATOM 0 HG23 VAL A 9 2.057 11.436 -2.518 1.00 51.14 H new ATOM 170 N ALA A 10 4.562 9.135 0.738 1.00 24.04 N ATOM 171 CA ALA A 10 5.225 8.716 1.967 1.00 12.04 C ATOM 172 C ALA A 10 5.798 7.310 1.830 1.00 32.52 C ATOM 173 O ALA A 10 6.704 6.922 2.569 1.00 10.33 O ATOM 174 CB ALA A 10 4.255 8.781 3.138 1.00 2.11 C ATOM 0 H ALA A 10 3.677 8.662 0.553 1.00 24.04 H new ATOM 0 HA ALA A 10 6.052 9.400 2.156 1.00 12.04 H new ATOM 0 HB1 ALA A 10 4.763 8.466 4.049 1.00 2.11 H new ATOM 0 HB2 ALA A 10 3.897 9.804 3.258 1.00 2.11 H new ATOM 0 HB3 ALA A 10 3.409 8.121 2.947 1.00 2.11 H new ATOM 180 N LEU A 11 5.264 6.548 0.881 1.00 1.42 N ATOM 181 CA LEU A 11 5.722 5.183 0.647 1.00 3.34 C ATOM 182 C LEU A 11 6.927 5.166 -0.287 1.00 65.13 C ATOM 183 O LEU A 11 7.717 4.221 -0.282 1.00 52.02 O ATOM 184 CB LEU A 11 4.592 4.339 0.056 1.00 12.13 C ATOM 185 CG LEU A 11 3.502 3.897 1.034 1.00 43.30 C ATOM 186 CD1 LEU A 11 2.278 3.402 0.280 1.00 32.13 C ATOM 187 CD2 LEU A 11 4.029 2.817 1.967 1.00 4.24 C ATOM 0 H LEU A 11 4.513 6.853 0.261 1.00 1.42 H new ATOM 0 HA LEU A 11 6.022 4.757 1.605 1.00 3.34 H new ATOM 0 HB2 LEU A 11 4.123 4.907 -0.747 1.00 12.13 H new ATOM 0 HB3 LEU A 11 5.029 3.449 -0.397 1.00 12.13 H new ATOM 0 HG LEU A 11 3.209 4.757 1.636 1.00 43.30 H new ATOM 0 HD11 LEU A 11 1.513 3.092 0.992 1.00 32.13 H new ATOM 0 HD12 LEU A 11 1.887 4.204 -0.346 1.00 32.13 H new ATOM 0 HD13 LEU A 11 2.555 2.555 -0.347 1.00 32.13 H new ATOM 0 HD21 LEU A 11 3.240 2.515 2.656 1.00 4.24 H new ATOM 0 HD22 LEU A 11 4.350 1.955 1.382 1.00 4.24 H new ATOM 0 HD23 LEU A 11 4.875 3.206 2.533 1.00 4.24 H new ATOM 199 N PHE A 12 7.064 6.218 -1.087 1.00 43.05 N ATOM 200 CA PHE A 12 8.174 6.325 -2.027 1.00 63.42 C ATOM 201 C PHE A 12 9.352 7.062 -1.397 1.00 12.52 C ATOM 202 O PHE A 12 10.507 6.819 -1.741 1.00 64.01 O ATOM 203 CB PHE A 12 7.726 7.048 -3.299 1.00 2.23 C ATOM 204 CG PHE A 12 8.030 8.519 -3.290 1.00 15.22 C ATOM 205 CD1 PHE A 12 7.297 9.386 -2.496 1.00 14.42 C ATOM 206 CD2 PHE A 12 9.047 9.035 -4.076 1.00 63.21 C ATOM 207 CE1 PHE A 12 7.573 10.741 -2.485 1.00 24.40 C ATOM 208 CE2 PHE A 12 9.329 10.388 -4.069 1.00 71.11 C ATOM 209 CZ PHE A 12 8.590 11.242 -3.274 1.00 23.05 C ATOM 0 H PHE A 12 6.420 7.009 -1.103 1.00 43.05 H new ATOM 0 HA PHE A 12 8.496 5.316 -2.286 1.00 63.42 H new ATOM 0 HB2 PHE A 12 8.214 6.589 -4.159 1.00 2.23 H new ATOM 0 HB3 PHE A 12 6.653 6.907 -3.429 1.00 2.23 H new ATOM 0 HD1 PHE A 12 6.500 8.999 -1.878 1.00 14.42 H new ATOM 0 HD2 PHE A 12 9.626 8.372 -4.702 1.00 63.21 H new ATOM 0 HE1 PHE A 12 6.995 11.406 -1.861 1.00 24.40 H new ATOM 0 HE2 PHE A 12 10.127 10.777 -4.685 1.00 71.11 H new ATOM 0 HZ PHE A 12 8.807 12.300 -3.269 1.00 23.05 H new ATOM 219 N GLY A 13 9.048 7.967 -0.471 1.00 4.14 N ATOM 220 CA GLY A 13 10.091 8.728 0.193 1.00 20.41 C ATOM 221 C GLY A 13 10.677 7.993 1.382 1.00 31.25 C ATOM 222 O GLY A 13 11.691 8.410 1.941 1.00 3.33 O ATOM 0 H GLY A 13 8.099 8.187 -0.169 1.00 4.14 H new ATOM 0 HA2 GLY A 13 10.885 8.950 -0.520 1.00 20.41 H new ATOM 0 HA3 GLY A 13 9.684 9.683 0.525 1.00 20.41 H new ATOM 226 N VAL A 14 10.036 6.895 1.773 1.00 40.55 N ATOM 227 CA VAL A 14 10.499 6.101 2.904 1.00 63.01 C ATOM 228 C VAL A 14 10.994 4.733 2.449 1.00 74.53 C ATOM 229 O VAL A 14 11.774 4.080 3.143 1.00 61.41 O ATOM 230 CB VAL A 14 9.385 5.910 3.950 1.00 53.33 C ATOM 231 CG1 VAL A 14 9.878 5.054 5.106 1.00 1.00 C ATOM 232 CG2 VAL A 14 8.886 7.258 4.448 1.00 3.23 C ATOM 0 H VAL A 14 9.194 6.536 1.322 1.00 40.55 H new ATOM 0 HA VAL A 14 11.324 6.650 3.359 1.00 63.01 H new ATOM 0 HB VAL A 14 8.551 5.392 3.477 1.00 53.33 H new ATOM 0 HG11 VAL A 14 9.077 4.930 5.835 1.00 1.00 H new ATOM 0 HG12 VAL A 14 10.182 4.077 4.731 1.00 1.00 H new ATOM 0 HG13 VAL A 14 10.729 5.541 5.582 1.00 1.00 H new ATOM 0 HG21 VAL A 14 8.099 7.104 5.186 1.00 3.23 H new ATOM 0 HG22 VAL A 14 9.711 7.805 4.905 1.00 3.23 H new ATOM 0 HG23 VAL A 14 8.490 7.832 3.610 1.00 3.23 H new ATOM 242 N LEU A 15 10.535 4.303 1.278 1.00 0.41 N ATOM 243 CA LEU A 15 10.931 3.011 0.728 1.00 11.44 C ATOM 244 C LEU A 15 11.832 3.191 -0.489 1.00 24.21 C ATOM 245 O LEU A 15 12.588 2.291 -0.853 1.00 31.44 O ATOM 246 CB LEU A 15 9.694 2.197 0.345 1.00 12.35 C ATOM 247 CG LEU A 15 9.833 0.678 0.446 1.00 73.21 C ATOM 248 CD1 LEU A 15 9.463 0.199 1.841 1.00 15.01 C ATOM 249 CD2 LEU A 15 8.968 -0.007 -0.602 1.00 72.21 C ATOM 0 H LEU A 15 9.888 4.830 0.691 1.00 0.41 H new ATOM 0 HA LEU A 15 11.489 2.473 1.494 1.00 11.44 H new ATOM 0 HB2 LEU A 15 8.867 2.509 0.982 1.00 12.35 H new ATOM 0 HB3 LEU A 15 9.420 2.449 -0.679 1.00 12.35 H new ATOM 0 HG LEU A 15 10.874 0.414 0.258 1.00 73.21 H new ATOM 0 HD11 LEU A 15 9.568 -0.885 1.893 1.00 15.01 H new ATOM 0 HD12 LEU A 15 10.124 0.664 2.572 1.00 15.01 H new ATOM 0 HD13 LEU A 15 8.431 0.474 2.058 1.00 15.01 H new ATOM 0 HD21 LEU A 15 9.079 -1.088 -0.516 1.00 72.21 H new ATOM 0 HD22 LEU A 15 7.924 0.264 -0.446 1.00 72.21 H new ATOM 0 HD23 LEU A 15 9.280 0.312 -1.596 1.00 72.21 H new ATOM 261 N GLY A 16 11.749 4.361 -1.114 1.00 14.51 N ATOM 262 CA GLY A 16 12.564 4.639 -2.282 1.00 74.42 C ATOM 263 C GLY A 16 13.595 5.720 -2.026 1.00 71.35 C ATOM 264 O GLY A 16 14.168 6.274 -2.964 1.00 1.23 O ATOM 0 H GLY A 16 11.131 5.122 -0.832 1.00 14.51 H new ATOM 0 HA2 GLY A 16 13.070 3.725 -2.594 1.00 74.42 H new ATOM 0 HA3 GLY A 16 11.920 4.944 -3.107 1.00 74.42 H new ATOM 268 N ALA A 17 13.831 6.021 -0.754 1.00 14.22 N ATOM 269 CA ALA A 17 14.800 7.043 -0.378 1.00 31.23 C ATOM 270 C ALA A 17 15.914 6.453 0.481 1.00 50.25 C ATOM 271 O ALA A 17 17.054 6.916 0.438 1.00 34.53 O ATOM 272 CB ALA A 17 14.109 8.180 0.360 1.00 53.12 C ATOM 0 H ALA A 17 13.364 5.572 0.034 1.00 14.22 H new ATOM 0 HA ALA A 17 15.249 7.436 -1.290 1.00 31.23 H new ATOM 0 HB1 ALA A 17 14.845 8.936 0.635 1.00 53.12 H new ATOM 0 HB2 ALA A 17 13.353 8.627 -0.286 1.00 53.12 H new ATOM 0 HB3 ALA A 17 13.633 7.793 1.261 1.00 53.12 H new ATOM 278 N ALA A 18 15.576 5.430 1.259 1.00 5.31 N ATOM 279 CA ALA A 18 16.549 4.777 2.126 1.00 31.13 C ATOM 280 C ALA A 18 16.817 3.347 1.671 1.00 62.45 C ATOM 281 O ALA A 18 17.276 2.511 2.451 1.00 40.22 O ATOM 282 CB ALA A 18 16.064 4.791 3.568 1.00 13.23 C ATOM 0 H ALA A 18 14.636 5.036 1.307 1.00 5.31 H new ATOM 0 HA ALA A 18 17.485 5.332 2.063 1.00 31.13 H new ATOM 0 HB1 ALA A 18 16.800 4.300 4.204 1.00 13.23 H new ATOM 0 HB2 ALA A 18 15.930 5.822 3.897 1.00 13.23 H new ATOM 0 HB3 ALA A 18 15.114 4.261 3.637 1.00 13.23 H new ATOM 288 N LEU A 19 16.528 3.070 0.404 1.00 52.32 N ATOM 289 CA LEU A 19 16.737 1.740 -0.156 1.00 64.41 C ATOM 290 C LEU A 19 17.400 1.824 -1.527 1.00 61.04 C ATOM 291 O LEU A 19 18.437 1.204 -1.766 1.00 32.33 O ATOM 292 CB LEU A 19 15.405 0.995 -0.266 1.00 4.43 C ATOM 293 CG LEU A 19 15.353 -0.387 0.387 1.00 42.44 C ATOM 294 CD1 LEU A 19 14.636 -0.318 1.726 1.00 53.02 C ATOM 295 CD2 LEU A 19 14.670 -1.386 -0.536 1.00 25.24 C ATOM 0 H LEU A 19 16.148 3.750 -0.255 1.00 52.32 H new ATOM 0 HA LEU A 19 17.399 1.191 0.514 1.00 64.41 H new ATOM 0 HB2 LEU A 19 14.627 1.615 0.180 1.00 4.43 H new ATOM 0 HB3 LEU A 19 15.159 0.885 -1.322 1.00 4.43 H new ATOM 0 HG LEU A 19 16.374 -0.724 0.563 1.00 42.44 H new ATOM 0 HD11 LEU A 19 14.609 -1.311 2.176 1.00 53.02 H new ATOM 0 HD12 LEU A 19 15.167 0.366 2.388 1.00 53.02 H new ATOM 0 HD13 LEU A 19 13.618 0.040 1.575 1.00 53.02 H new ATOM 0 HD21 LEU A 19 14.641 -2.364 -0.056 1.00 25.24 H new ATOM 0 HD22 LEU A 19 13.653 -1.054 -0.743 1.00 25.24 H new ATOM 0 HD23 LEU A 19 15.226 -1.457 -1.471 1.00 25.24 H new ATOM 307 N ILE A 20 16.796 2.597 -2.424 1.00 62.50 N ATOM 308 CA ILE A 20 17.330 2.764 -3.770 1.00 12.50 C ATOM 309 C ILE A 20 18.807 3.142 -3.733 1.00 13.44 C ATOM 310 O ILE A 20 19.566 2.812 -4.642 1.00 61.12 O ATOM 311 CB ILE A 20 16.556 3.842 -4.552 1.00 75.32 C ATOM 312 CG1 ILE A 20 15.075 3.466 -4.651 1.00 4.53 C ATOM 313 CG2 ILE A 20 17.155 4.023 -5.939 1.00 31.13 C ATOM 314 CD1 ILE A 20 14.221 4.540 -5.287 1.00 51.21 C ATOM 0 H ILE A 20 15.937 3.117 -2.243 1.00 62.50 H new ATOM 0 HA ILE A 20 17.215 1.806 -4.276 1.00 12.50 H new ATOM 0 HB ILE A 20 16.637 4.788 -4.016 1.00 75.32 H new ATOM 0 HG12 ILE A 20 14.980 2.547 -5.229 1.00 4.53 H new ATOM 0 HG13 ILE A 20 14.694 3.255 -3.652 1.00 4.53 H new ATOM 0 HG21 ILE A 20 16.597 4.788 -6.479 1.00 31.13 H new ATOM 0 HG22 ILE A 20 18.197 4.330 -5.848 1.00 31.13 H new ATOM 0 HG23 ILE A 20 17.101 3.081 -6.485 1.00 31.13 H new ATOM 0 HD11 ILE A 20 13.184 4.206 -5.324 1.00 51.21 H new ATOM 0 HD12 ILE A 20 14.286 5.454 -4.697 1.00 51.21 H new ATOM 0 HD13 ILE A 20 14.576 4.735 -6.299 1.00 51.21 H new ATOM 326 N GLY A 21 19.208 3.837 -2.672 1.00 32.42 N ATOM 327 CA GLY A 21 20.593 4.247 -2.534 1.00 60.21 C ATOM 328 C GLY A 21 21.468 3.151 -1.958 1.00 13.00 C ATOM 329 O GLY A 21 22.661 3.082 -2.251 1.00 31.32 O ATOM 0 H GLY A 21 18.598 4.123 -1.906 1.00 32.42 H new ATOM 0 HA2 GLY A 21 20.980 4.542 -3.509 1.00 60.21 H new ATOM 0 HA3 GLY A 21 20.646 5.126 -1.891 1.00 60.21 H new ATOM 333 N ALA A 22 20.874 2.293 -1.135 1.00 14.21 N ATOM 334 CA ALA A 22 21.606 1.196 -0.516 1.00 65.54 C ATOM 335 C ALA A 22 21.078 -0.154 -0.991 1.00 12.20 C ATOM 336 O ALA A 22 20.993 -1.106 -0.214 1.00 44.34 O ATOM 337 CB ALA A 22 21.524 1.293 1.000 1.00 55.53 C ATOM 0 H ALA A 22 19.887 2.337 -0.882 1.00 14.21 H new ATOM 0 HA ALA A 22 22.651 1.275 -0.817 1.00 65.54 H new ATOM 0 HB1 ALA A 22 22.076 0.466 1.448 1.00 55.53 H new ATOM 0 HB2 ALA A 22 21.957 2.238 1.328 1.00 55.53 H new ATOM 0 HB3 ALA A 22 20.481 1.244 1.312 1.00 55.53 H new ATOM 343 N ILE A 23 20.723 -0.228 -2.269 1.00 74.51 N ATOM 344 CA ILE A 23 20.202 -1.462 -2.846 1.00 44.21 C ATOM 345 C ILE A 23 20.595 -1.590 -4.314 1.00 22.40 C ATOM 346 O ILE A 23 21.264 -2.546 -4.706 1.00 45.45 O ATOM 347 CB ILE A 23 18.669 -1.535 -2.728 1.00 74.34 C ATOM 348 CG1 ILE A 23 18.252 -1.635 -1.259 1.00 42.15 C ATOM 349 CG2 ILE A 23 18.133 -2.720 -3.518 1.00 30.30 C ATOM 350 CD1 ILE A 23 18.690 -2.921 -0.593 1.00 53.43 C ATOM 0 H ILE A 23 20.786 0.551 -2.925 1.00 74.51 H new ATOM 0 HA ILE A 23 20.641 -2.285 -2.282 1.00 44.21 H new ATOM 0 HB ILE A 23 18.244 -0.622 -3.145 1.00 74.34 H new ATOM 0 HG12 ILE A 23 18.672 -0.791 -0.712 1.00 42.15 H new ATOM 0 HG13 ILE A 23 17.167 -1.551 -1.191 1.00 42.15 H new ATOM 0 HG21 ILE A 23 17.048 -2.758 -3.425 1.00 30.30 H new ATOM 0 HG22 ILE A 23 18.403 -2.609 -4.568 1.00 30.30 H new ATOM 0 HG23 ILE A 23 18.563 -3.642 -3.128 1.00 30.30 H new ATOM 0 HD11 ILE A 23 18.360 -2.923 0.446 1.00 53.43 H new ATOM 0 HD12 ILE A 23 18.249 -3.770 -1.115 1.00 53.43 H new ATOM 0 HD13 ILE A 23 19.777 -2.998 -0.629 1.00 53.43 H new ATOM 362 N ALA A 24 20.176 -0.621 -5.120 1.00 55.13 N ATOM 363 CA ALA A 24 20.487 -0.623 -6.544 1.00 74.43 C ATOM 364 C ALA A 24 20.197 0.736 -7.172 1.00 22.02 C ATOM 365 O ALA A 24 19.331 0.876 -8.035 1.00 53.31 O ATOM 366 CB ALA A 24 19.698 -1.714 -7.255 1.00 1.52 C ATOM 0 H ALA A 24 19.620 0.176 -4.811 1.00 55.13 H new ATOM 0 HA ALA A 24 21.552 -0.826 -6.657 1.00 74.43 H new ATOM 0 HB1 ALA A 24 19.940 -1.704 -8.318 1.00 1.52 H new ATOM 0 HB2 ALA A 24 19.958 -2.685 -6.833 1.00 1.52 H new ATOM 0 HB3 ALA A 24 18.631 -1.535 -7.124 1.00 1.52 H new