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 0.570 8.001 -0.037 1.00 50.33 N ATOM 116 CA GLU A 7 1.162 6.716 0.313 1.00 34.45 C ATOM 117 C GLU A 7 2.345 6.395 -0.595 1.00 51.12 C ATOM 118 O GLU A 7 3.362 5.867 -0.145 1.00 34.31 O ATOM 119 CB GLU A 7 0.115 5.604 0.217 1.00 74.12 C ATOM 120 CG GLU A 7 -1.219 5.967 0.848 1.00 1.22 C ATOM 121 CD GLU A 7 -1.788 4.846 1.696 1.00 63.00 C ATOM 122 OE1 GLU A 7 -2.353 3.894 1.118 1.00 51.22 O ATOM 123 OE2 GLU A 7 -1.668 4.920 2.937 1.00 42.14 O ATOM 0 HA GLU A 7 1.522 6.779 1.340 1.00 34.45 H new ATOM 0 HB2 GLU A 7 -0.045 5.357 -0.832 1.00 74.12 H new ATOM 0 HB3 GLU A 7 0.504 4.708 0.700 1.00 74.12 H new ATOM 0 HG2 GLU A 7 -1.095 6.857 1.465 1.00 1.22 H new ATOM 0 HG3 GLU A 7 -1.931 6.221 0.063 1.00 1.22 H new ATOM 130 N ARG A 8 2.204 6.718 -1.877 1.00 11.34 N ATOM 131 CA ARG A 8 3.260 6.464 -2.849 1.00 74.33 C ATOM 132 C ARG A 8 4.401 7.463 -2.687 1.00 23.12 C ATOM 133 O ARG A 8 5.561 7.145 -2.951 1.00 30.14 O ATOM 134 CB ARG A 8 2.701 6.538 -4.271 1.00 52.44 C ATOM 135 CG ARG A 8 2.464 7.958 -4.759 1.00 14.52 C ATOM 136 CD ARG A 8 3.670 8.498 -5.512 1.00 33.22 C ATOM 137 NE ARG A 8 3.300 9.550 -6.455 1.00 5.02 N ATOM 138 CZ ARG A 8 4.118 10.017 -7.392 1.00 1.44 C ATOM 139 NH1 ARG A 8 5.345 9.528 -7.510 1.00 74.20 N ATOM 140 NH2 ARG A 8 3.709 10.976 -8.213 1.00 2.23 N ATOM 0 H ARG A 8 1.369 7.156 -2.266 1.00 11.34 H new ATOM 0 HA ARG A 8 3.650 5.462 -2.670 1.00 74.33 H new ATOM 0 HB2 ARG A 8 3.393 6.040 -4.951 1.00 52.44 H new ATOM 0 HB3 ARG A 8 1.761 5.987 -4.312 1.00 52.44 H new ATOM 0 HG2 ARG A 8 1.589 7.979 -5.409 1.00 14.52 H new ATOM 0 HG3 ARG A 8 2.246 8.604 -3.909 1.00 14.52 H new ATOM 0 HD2 ARG A 8 4.397 8.889 -4.800 1.00 33.22 H new ATOM 0 HD3 ARG A 8 4.156 7.684 -6.050 1.00 33.22 H new ATOM 0 HE ARG A 8 2.363 9.948 -6.391 1.00 5.02 H new ATOM 0 HH11 ARG A 8 5.663 8.791 -6.880 1.00 74.20 H new ATOM 0 HH12 ARG A 8 5.971 9.889 -8.230 1.00 74.20 H new ATOM 0 HH21 ARG A 8 2.766 11.355 -8.125 1.00 2.23 H new ATOM 0 HH22 ARG A 8 4.337 11.334 -8.932 1.00 2.23 H new ATOM 154 N VAL A 9 4.064 8.673 -2.251 1.00 65.22 N ATOM 155 CA VAL A 9 5.061 9.719 -2.053 1.00 33.31 C ATOM 156 C VAL A 9 5.725 9.593 -0.686 1.00 54.22 C ATOM 157 O VAL A 9 6.778 10.180 -0.440 1.00 51.13 O ATOM 158 CB VAL A 9 4.436 11.121 -2.181 1.00 71.41 C ATOM 159 CG1 VAL A 9 5.479 12.196 -1.919 1.00 51.30 C ATOM 160 CG2 VAL A 9 3.807 11.300 -3.555 1.00 30.44 C ATOM 0 H VAL A 9 3.109 8.953 -2.028 1.00 65.22 H new ATOM 0 HA VAL A 9 5.813 9.592 -2.832 1.00 33.31 H new ATOM 0 HB VAL A 9 3.651 11.220 -1.431 1.00 71.41 H new ATOM 0 HG11 VAL A 9 5.019 13.180 -2.014 1.00 51.30 H new ATOM 0 HG12 VAL A 9 5.878 12.078 -0.912 1.00 51.30 H new ATOM 0 HG13 VAL A 9 6.288 12.102 -2.643 1.00 51.30 H new ATOM 0 HG21 VAL A 9 3.370 12.296 -3.628 1.00 30.44 H new ATOM 0 HG22 VAL A 9 4.571 11.182 -4.323 1.00 30.44 H new ATOM 0 HG23 VAL A 9 3.028 10.551 -3.699 1.00 30.44 H new ATOM 170 N ALA A 10 5.101 8.823 0.200 1.00 43.41 N ATOM 171 CA ALA A 10 5.633 8.618 1.541 1.00 11.45 C ATOM 172 C ALA A 10 6.334 7.269 1.654 1.00 71.10 C ATOM 173 O ALA A 10 7.205 7.079 2.504 1.00 32.02 O ATOM 174 CB ALA A 10 4.519 8.724 2.572 1.00 11.24 C ATOM 0 H ALA A 10 4.227 8.331 0.013 1.00 43.41 H new ATOM 0 HA ALA A 10 6.370 9.398 1.736 1.00 11.45 H new ATOM 0 HB1 ALA A 10 4.930 8.569 3.569 1.00 11.24 H new ATOM 0 HB2 ALA A 10 4.065 9.713 2.517 1.00 11.24 H new ATOM 0 HB3 ALA A 10 3.763 7.966 2.370 1.00 11.24 H new ATOM 180 N LEU A 11 5.949 6.334 0.792 1.00 10.03 N ATOM 181 CA LEU A 11 6.541 5.001 0.795 1.00 34.53 C ATOM 182 C LEU A 11 7.791 4.958 -0.077 1.00 22.32 C ATOM 183 O LEU A 11 8.668 4.116 0.118 1.00 23.12 O ATOM 184 CB LEU A 11 5.525 3.969 0.301 1.00 54.32 C ATOM 185 CG LEU A 11 4.424 3.583 1.290 1.00 4.31 C ATOM 186 CD1 LEU A 11 3.275 2.898 0.569 1.00 75.43 C ATOM 187 CD2 LEU A 11 4.982 2.684 2.384 1.00 41.22 C ATOM 0 H LEU A 11 5.230 6.474 0.082 1.00 10.03 H new ATOM 0 HA LEU A 11 6.826 4.760 1.819 1.00 34.53 H new ATOM 0 HB2 LEU A 11 5.054 4.356 -0.603 1.00 54.32 H new ATOM 0 HB3 LEU A 11 6.064 3.065 0.017 1.00 54.32 H new ATOM 0 HG LEU A 11 4.043 4.493 1.754 1.00 4.31 H new ATOM 0 HD11 LEU A 11 2.501 2.631 1.289 1.00 75.43 H new ATOM 0 HD12 LEU A 11 2.858 3.575 -0.177 1.00 75.43 H new ATOM 0 HD13 LEU A 11 3.640 1.996 0.077 1.00 75.43 H new ATOM 0 HD21 LEU A 11 4.185 2.419 3.079 1.00 41.22 H new ATOM 0 HD22 LEU A 11 5.390 1.777 1.937 1.00 41.22 H new ATOM 0 HD23 LEU A 11 5.771 3.211 2.921 1.00 41.22 H new ATOM 199 N PHE A 12 7.868 5.872 -1.038 1.00 13.20 N ATOM 200 CA PHE A 12 9.012 5.940 -1.940 1.00 32.15 C ATOM 201 C PHE A 12 10.073 6.896 -1.401 1.00 74.33 C ATOM 202 O PHE A 12 11.257 6.761 -1.705 1.00 70.04 O ATOM 203 CB PHE A 12 8.565 6.388 -3.332 1.00 53.44 C ATOM 204 CG PHE A 12 7.936 5.291 -4.142 1.00 71.14 C ATOM 205 CD1 PHE A 12 6.808 4.631 -3.682 1.00 14.41 C ATOM 206 CD2 PHE A 12 8.473 4.919 -5.364 1.00 54.14 C ATOM 207 CE1 PHE A 12 6.228 3.621 -4.425 1.00 33.30 C ATOM 208 CE2 PHE A 12 7.897 3.909 -6.112 1.00 54.32 C ATOM 209 CZ PHE A 12 6.772 3.260 -5.642 1.00 40.01 C ATOM 0 H PHE A 12 7.151 6.577 -1.213 1.00 13.20 H new ATOM 0 HA PHE A 12 9.448 4.943 -2.010 1.00 32.15 H new ATOM 0 HB2 PHE A 12 7.853 7.207 -3.230 1.00 53.44 H new ATOM 0 HB3 PHE A 12 9.426 6.780 -3.873 1.00 53.44 H new ATOM 0 HD1 PHE A 12 6.377 4.909 -2.732 1.00 14.41 H new ATOM 0 HD2 PHE A 12 9.352 5.424 -5.737 1.00 54.14 H new ATOM 0 HE1 PHE A 12 5.349 3.114 -4.054 1.00 33.30 H new ATOM 0 HE2 PHE A 12 8.326 3.628 -7.062 1.00 54.32 H new ATOM 0 HZ PHE A 12 6.319 2.472 -6.225 1.00 40.01 H new ATOM 219 N GLY A 13 9.637 7.863 -0.599 1.00 62.14 N ATOM 220 CA GLY A 13 10.561 8.828 -0.032 1.00 34.11 C ATOM 221 C GLY A 13 11.194 8.337 1.255 1.00 14.20 C ATOM 222 O GLY A 13 12.212 8.869 1.697 1.00 41.22 O ATOM 0 H GLY A 13 8.661 7.995 -0.332 1.00 62.14 H new ATOM 0 HA2 GLY A 13 11.344 9.047 -0.758 1.00 34.11 H new ATOM 0 HA3 GLY A 13 10.034 9.762 0.159 1.00 34.11 H new ATOM 226 N VAL A 14 10.588 7.320 1.860 1.00 25.11 N ATOM 227 CA VAL A 14 11.099 6.758 3.105 1.00 72.43 C ATOM 228 C VAL A 14 11.744 5.397 2.869 1.00 63.31 C ATOM 229 O VAL A 14 12.594 4.958 3.645 1.00 64.33 O ATOM 230 CB VAL A 14 9.981 6.608 4.153 1.00 14.43 C ATOM 231 CG1 VAL A 14 10.526 5.991 5.432 1.00 43.10 C ATOM 232 CG2 VAL A 14 9.333 7.955 4.436 1.00 13.40 C ATOM 0 H VAL A 14 9.743 6.869 1.509 1.00 25.11 H new ATOM 0 HA VAL A 14 11.850 7.453 3.482 1.00 72.43 H new ATOM 0 HB VAL A 14 9.219 5.940 3.752 1.00 14.43 H new ATOM 0 HG11 VAL A 14 9.721 5.893 6.160 1.00 43.10 H new ATOM 0 HG12 VAL A 14 10.939 5.006 5.214 1.00 43.10 H new ATOM 0 HG13 VAL A 14 11.309 6.631 5.840 1.00 43.10 H new ATOM 0 HG21 VAL A 14 8.545 7.831 5.179 1.00 13.40 H new ATOM 0 HG22 VAL A 14 10.084 8.647 4.816 1.00 13.40 H new ATOM 0 HG23 VAL A 14 8.905 8.353 3.516 1.00 13.40 H new ATOM 242 N LEU A 15 11.336 4.733 1.793 1.00 31.02 N ATOM 243 CA LEU A 15 11.875 3.421 1.454 1.00 72.44 C ATOM 244 C LEU A 15 12.745 3.496 0.203 1.00 3.33 C ATOM 245 O LEU A 15 13.626 2.663 -0.004 1.00 21.34 O ATOM 246 CB LEU A 15 10.737 2.421 1.237 1.00 24.22 C ATOM 247 CG LEU A 15 10.925 1.043 1.873 1.00 62.34 C ATOM 248 CD1 LEU A 15 10.822 1.135 3.387 1.00 30.41 C ATOM 249 CD2 LEU A 15 9.901 0.059 1.325 1.00 24.01 C ATOM 0 H LEU A 15 10.634 5.082 1.141 1.00 31.02 H new ATOM 0 HA LEU A 15 12.494 3.084 2.286 1.00 72.44 H new ATOM 0 HB2 LEU A 15 9.817 2.857 1.627 1.00 24.22 H new ATOM 0 HB3 LEU A 15 10.596 2.288 0.164 1.00 24.22 H new ATOM 0 HG LEU A 15 11.921 0.680 1.619 1.00 62.34 H new ATOM 0 HD11 LEU A 15 10.958 0.145 3.822 1.00 30.41 H new ATOM 0 HD12 LEU A 15 11.594 1.806 3.764 1.00 30.41 H new ATOM 0 HD13 LEU A 15 9.840 1.520 3.662 1.00 30.41 H new ATOM 0 HD21 LEU A 15 10.049 -0.916 1.788 1.00 24.01 H new ATOM 0 HD22 LEU A 15 8.896 0.418 1.548 1.00 24.01 H new ATOM 0 HD23 LEU A 15 10.023 -0.030 0.246 1.00 24.01 H new ATOM 261 N GLY A 16 12.493 4.504 -0.627 1.00 62.32 N ATOM 262 CA GLY A 16 13.264 4.671 -1.846 1.00 14.04 C ATOM 263 C GLY A 16 14.296 5.775 -1.732 1.00 13.31 C ATOM 264 O GLY A 16 14.961 6.115 -2.710 1.00 1.23 O ATOM 0 H GLY A 16 11.770 5.207 -0.477 1.00 62.32 H new ATOM 0 HA2 GLY A 16 13.765 3.733 -2.087 1.00 14.04 H new ATOM 0 HA3 GLY A 16 12.588 4.893 -2.672 1.00 14.04 H new ATOM 268 N ALA A 17 14.428 6.338 -0.535 1.00 45.13 N ATOM 269 CA ALA A 17 15.387 7.410 -0.297 1.00 40.14 C ATOM 270 C ALA A 17 16.438 6.990 0.725 1.00 52.22 C ATOM 271 O ALA A 17 17.567 7.480 0.705 1.00 33.34 O ATOM 272 CB ALA A 17 14.668 8.667 0.168 1.00 12.43 C ATOM 0 H ALA A 17 13.883 6.070 0.284 1.00 45.13 H new ATOM 0 HA ALA A 17 15.897 7.623 -1.236 1.00 40.14 H new ATOM 0 HB1 ALA A 17 15.396 9.459 0.342 1.00 12.43 H new ATOM 0 HB2 ALA A 17 13.961 8.986 -0.598 1.00 12.43 H new ATOM 0 HB3 ALA A 17 14.131 8.458 1.093 1.00 12.43 H new ATOM 278 N ALA A 18 16.059 6.081 1.617 1.00 14.10 N ATOM 279 CA ALA A 18 16.969 5.595 2.646 1.00 20.32 C ATOM 280 C ALA A 18 17.335 4.133 2.409 1.00 12.45 C ATOM 281 O ALA A 18 17.563 3.379 3.356 1.00 71.41 O ATOM 282 CB ALA A 18 16.349 5.769 4.025 1.00 71.04 C ATOM 0 H ALA A 18 15.128 5.666 1.648 1.00 14.10 H new ATOM 0 HA ALA A 18 17.884 6.185 2.595 1.00 20.32 H new ATOM 0 HB1 ALA A 18 17.040 5.402 4.784 1.00 71.04 H new ATOM 0 HB2 ALA A 18 16.144 6.825 4.201 1.00 71.04 H new ATOM 0 HB3 ALA A 18 15.418 5.205 4.079 1.00 71.04 H new ATOM 288 N LEU A 19 17.388 3.740 1.142 1.00 63.31 N ATOM 289 CA LEU A 19 17.726 2.367 0.781 1.00 50.34 C ATOM 290 C LEU A 19 18.438 2.319 -0.567 1.00 61.44 C ATOM 291 O LEU A 19 19.547 1.793 -0.676 1.00 55.31 O ATOM 292 CB LEU A 19 16.463 1.506 0.734 1.00 32.33 C ATOM 293 CG LEU A 19 16.671 0.027 0.405 1.00 55.15 C ATOM 294 CD1 LEU A 19 16.557 -0.821 1.662 1.00 62.24 C ATOM 295 CD2 LEU A 19 15.667 -0.432 -0.643 1.00 53.21 C ATOM 0 H LEU A 19 17.202 4.352 0.347 1.00 63.31 H new ATOM 0 HA LEU A 19 18.399 1.972 1.542 1.00 50.34 H new ATOM 0 HB2 LEU A 19 15.964 1.576 1.700 1.00 32.33 H new ATOM 0 HB3 LEU A 19 15.785 1.931 -0.007 1.00 32.33 H new ATOM 0 HG LEU A 19 17.674 -0.097 -0.002 1.00 55.15 H new ATOM 0 HD11 LEU A 19 16.708 -1.870 1.408 1.00 62.24 H new ATOM 0 HD12 LEU A 19 17.314 -0.509 2.381 1.00 62.24 H new ATOM 0 HD13 LEU A 19 15.567 -0.692 2.099 1.00 62.24 H new ATOM 0 HD21 LEU A 19 15.829 -1.487 -0.865 1.00 53.21 H new ATOM 0 HD22 LEU A 19 14.655 -0.293 -0.263 1.00 53.21 H new ATOM 0 HD23 LEU A 19 15.797 0.155 -1.553 1.00 53.21 H new ATOM 307 N ILE A 20 17.795 2.871 -1.591 1.00 22.04 N ATOM 308 CA ILE A 20 18.369 2.893 -2.930 1.00 51.24 C ATOM 309 C ILE A 20 19.754 3.532 -2.925 1.00 34.11 C ATOM 310 O ILE A 20 20.572 3.272 -3.806 1.00 22.23 O ATOM 311 CB ILE A 20 17.467 3.659 -3.916 1.00 72.34 C ATOM 312 CG1 ILE A 20 16.062 3.052 -3.933 1.00 2.23 C ATOM 313 CG2 ILE A 20 18.073 3.642 -5.312 1.00 22.33 C ATOM 314 CD1 ILE A 20 15.083 3.820 -4.793 1.00 34.51 C ATOM 0 H ILE A 20 16.877 3.309 -1.518 1.00 22.04 H new ATOM 0 HA ILE A 20 18.451 1.856 -3.255 1.00 51.24 H new ATOM 0 HB ILE A 20 17.392 4.695 -3.586 1.00 72.34 H new ATOM 0 HG12 ILE A 20 16.123 2.025 -4.294 1.00 2.23 H new ATOM 0 HG13 ILE A 20 15.681 3.009 -2.913 1.00 2.23 H new ATOM 0 HG21 ILE A 20 17.424 4.187 -5.997 1.00 22.33 H new ATOM 0 HG22 ILE A 20 19.055 4.115 -5.288 1.00 22.33 H new ATOM 0 HG23 ILE A 20 18.175 2.611 -5.652 1.00 22.33 H new ATOM 0 HD11 ILE A 20 14.108 3.333 -4.758 1.00 34.51 H new ATOM 0 HD12 ILE A 20 14.993 4.840 -4.419 1.00 34.51 H new ATOM 0 HD13 ILE A 20 15.441 3.841 -5.822 1.00 34.51 H new ATOM 326 N GLY A 21 20.010 4.369 -1.924 1.00 34.21 N ATOM 327 CA GLY A 21 21.297 5.031 -1.821 1.00 61.50 C ATOM 328 C GLY A 21 22.308 4.214 -1.041 1.00 61.31 C ATOM 329 O GLY A 21 23.345 4.730 -0.625 1.00 14.14 O ATOM 0 H GLY A 21 19.349 4.600 -1.183 1.00 34.21 H new ATOM 0 HA2 GLY A 21 21.684 5.224 -2.822 1.00 61.50 H new ATOM 0 HA3 GLY A 21 21.166 5.999 -1.338 1.00 61.50 H new ATOM 333 N ALA A 22 22.006 2.935 -0.841 1.00 52.13 N ATOM 334 CA ALA A 22 22.896 2.045 -0.106 1.00 42.43 C ATOM 335 C ALA A 22 22.668 0.591 -0.503 1.00 25.44 C ATOM 336 O ALA A 22 23.004 -0.326 0.247 1.00 22.54 O ATOM 337 CB ALA A 22 22.701 2.223 1.392 1.00 12.11 C ATOM 0 H ALA A 22 21.151 2.492 -1.178 1.00 52.13 H new ATOM 0 HA ALA A 22 23.923 2.307 -0.360 1.00 42.43 H new ATOM 0 HB1 ALA A 22 23.372 1.552 1.929 1.00 12.11 H new ATOM 0 HB2 ALA A 22 22.922 3.254 1.668 1.00 12.11 H new ATOM 0 HB3 ALA A 22 21.669 1.990 1.655 1.00 12.11 H new ATOM 343 N ILE A 23 22.096 0.387 -1.684 1.00 70.12 N ATOM 344 CA ILE A 23 21.824 -0.957 -2.179 1.00 41.22 C ATOM 345 C ILE A 23 22.066 -1.049 -3.682 1.00 4.50 C ATOM 346 O ILE A 23 22.590 -2.046 -4.177 1.00 4.03 O ATOM 347 CB ILE A 23 20.376 -1.386 -1.877 1.00 2.01 C ATOM 348 CG1 ILE A 23 19.388 -0.402 -2.506 1.00 33.10 C ATOM 349 CG2 ILE A 23 20.155 -1.480 -0.375 1.00 35.43 C ATOM 350 CD1 ILE A 23 18.840 -0.865 -3.838 1.00 13.41 C ATOM 0 H ILE A 23 21.812 1.135 -2.316 1.00 70.12 H new ATOM 0 HA ILE A 23 22.509 -1.628 -1.661 1.00 41.22 H new ATOM 0 HB ILE A 23 20.205 -2.371 -2.312 1.00 2.01 H new ATOM 0 HG12 ILE A 23 18.559 -0.242 -1.817 1.00 33.10 H new ATOM 0 HG13 ILE A 23 19.882 0.560 -2.640 1.00 33.10 H new ATOM 0 HG21 ILE A 23 19.127 -1.784 -0.177 1.00 35.43 H new ATOM 0 HG22 ILE A 23 20.839 -2.216 0.048 1.00 35.43 H new ATOM 0 HG23 ILE A 23 20.340 -0.508 0.082 1.00 35.43 H new ATOM 0 HD11 ILE A 23 18.146 -0.119 -4.225 1.00 13.41 H new ATOM 0 HD12 ILE A 23 19.661 -0.998 -4.543 1.00 13.41 H new ATOM 0 HD13 ILE A 23 18.317 -1.812 -3.707 1.00 13.41 H new ATOM 362 N ALA A 24 21.683 0.000 -4.403 1.00 14.03 N ATOM 363 CA ALA A 24 21.862 0.040 -5.849 1.00 35.22 C ATOM 364 C ALA A 24 21.312 1.336 -6.435 1.00 35.24 C ATOM 365 O ALA A 24 20.375 1.336 -7.234 1.00 30.23 O ATOM 366 CB ALA A 24 21.190 -1.162 -6.497 1.00 14.41 C ATOM 0 H ALA A 24 21.247 0.834 -4.009 1.00 14.03 H new ATOM 0 HA ALA A 24 22.931 0.002 -6.059 1.00 35.22 H new ATOM 0 HB1 ALA A 24 21.331 -1.120 -7.577 1.00 14.41 H new ATOM 0 HB2 ALA A 24 21.633 -2.079 -6.109 1.00 14.41 H new ATOM 0 HB3 ALA A 24 20.124 -1.149 -6.270 1.00 14.41 H new