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 -0.002 8.206 -0.074 1.00 53.41 N ATOM 116 CA GLU A 7 0.658 6.956 0.283 1.00 42.32 C ATOM 117 C GLU A 7 1.866 6.704 -0.615 1.00 22.33 C ATOM 118 O GLU A 7 2.907 6.234 -0.155 1.00 2.33 O ATOM 119 CB GLU A 7 -0.323 5.787 0.177 1.00 10.01 C ATOM 120 CG GLU A 7 -0.948 5.395 1.505 1.00 23.54 C ATOM 121 CD GLU A 7 -0.777 3.921 1.817 1.00 21.55 C ATOM 122 OE1 GLU A 7 -1.300 3.086 1.050 1.00 51.44 O ATOM 123 OE2 GLU A 7 -0.119 3.601 2.830 1.00 14.53 O ATOM 0 HA GLU A 7 1.003 7.038 1.314 1.00 42.32 H new ATOM 0 HB2 GLU A 7 -1.115 6.051 -0.524 1.00 10.01 H new ATOM 0 HB3 GLU A 7 0.197 4.924 -0.239 1.00 10.01 H new ATOM 0 HG2 GLU A 7 -0.498 5.986 2.303 1.00 23.54 H new ATOM 0 HG3 GLU A 7 -2.010 5.638 1.488 1.00 23.54 H new ATOM 130 N ARG A 8 1.719 7.018 -1.898 1.00 33.14 N ATOM 131 CA ARG A 8 2.796 6.824 -2.860 1.00 61.34 C ATOM 132 C ARG A 8 3.942 7.797 -2.598 1.00 31.51 C ATOM 133 O ARG A 8 5.088 7.536 -2.964 1.00 71.13 O ATOM 134 CB ARG A 8 2.274 7.007 -4.286 1.00 54.35 C ATOM 135 CG ARG A 8 3.356 6.911 -5.349 1.00 22.11 C ATOM 136 CD ARG A 8 2.835 7.329 -6.715 1.00 1.21 C ATOM 137 NE ARG A 8 3.500 6.610 -7.798 1.00 40.12 N ATOM 138 CZ ARG A 8 3.146 6.712 -9.074 1.00 54.23 C ATOM 139 NH1 ARG A 8 2.138 7.500 -9.425 1.00 64.10 N ATOM 140 NH2 ARG A 8 3.799 6.026 -10.003 1.00 25.23 N ATOM 0 H ARG A 8 0.864 7.408 -2.295 1.00 33.14 H new ATOM 0 HA ARG A 8 3.172 5.807 -2.745 1.00 61.34 H new ATOM 0 HB2 ARG A 8 1.513 6.252 -4.485 1.00 54.35 H new ATOM 0 HB3 ARG A 8 1.786 7.979 -4.363 1.00 54.35 H new ATOM 0 HG2 ARG A 8 4.198 7.544 -5.070 1.00 22.11 H new ATOM 0 HG3 ARG A 8 3.729 5.888 -5.398 1.00 22.11 H new ATOM 0 HD2 ARG A 8 1.761 7.147 -6.765 1.00 1.21 H new ATOM 0 HD3 ARG A 8 2.983 8.401 -6.847 1.00 1.21 H new ATOM 0 HE ARG A 8 4.279 5.996 -7.562 1.00 40.12 H new ATOM 0 HH11 ARG A 8 1.633 8.029 -8.714 1.00 64.10 H new ATOM 0 HH12 ARG A 8 1.868 7.577 -10.406 1.00 64.10 H new ATOM 0 HH21 ARG A 8 4.575 5.419 -9.738 1.00 25.23 H new ATOM 0 HH22 ARG A 8 3.526 6.106 -10.982 1.00 25.23 H new ATOM 154 N VAL A 9 3.624 8.919 -1.961 1.00 40.32 N ATOM 155 CA VAL A 9 4.626 9.931 -1.649 1.00 3.11 C ATOM 156 C VAL A 9 5.394 9.572 -0.382 1.00 34.25 C ATOM 157 O VAL A 9 6.510 10.043 -0.165 1.00 34.02 O ATOM 158 CB VAL A 9 3.985 11.320 -1.471 1.00 40.22 C ATOM 159 CG1 VAL A 9 3.388 11.459 -0.079 1.00 62.10 C ATOM 160 CG2 VAL A 9 5.007 12.416 -1.734 1.00 22.14 C ATOM 0 H VAL A 9 2.680 9.150 -1.651 1.00 40.32 H new ATOM 0 HA VAL A 9 5.316 9.963 -2.492 1.00 3.11 H new ATOM 0 HB VAL A 9 3.179 11.424 -2.197 1.00 40.22 H new ATOM 0 HG11 VAL A 9 2.940 12.447 0.028 1.00 62.10 H new ATOM 0 HG12 VAL A 9 2.623 10.696 0.067 1.00 62.10 H new ATOM 0 HG13 VAL A 9 4.172 11.334 0.667 1.00 62.10 H new ATOM 0 HG21 VAL A 9 4.537 13.391 -1.604 1.00 22.14 H new ATOM 0 HG22 VAL A 9 5.836 12.316 -1.033 1.00 22.14 H new ATOM 0 HG23 VAL A 9 5.381 12.327 -2.754 1.00 22.14 H new ATOM 170 N ALA A 10 4.788 8.734 0.453 1.00 75.41 N ATOM 171 CA ALA A 10 5.415 8.309 1.698 1.00 33.41 C ATOM 172 C ALA A 10 6.048 6.929 1.551 1.00 12.10 C ATOM 173 O ALA A 10 7.004 6.596 2.252 1.00 21.51 O ATOM 174 CB ALA A 10 4.396 8.306 2.828 1.00 10.02 C ATOM 0 H ALA A 10 3.863 8.336 0.289 1.00 75.41 H new ATOM 0 HA ALA A 10 6.206 9.019 1.938 1.00 33.41 H new ATOM 0 HB1 ALA A 10 4.878 7.987 3.752 1.00 10.02 H new ATOM 0 HB2 ALA A 10 3.993 9.311 2.957 1.00 10.02 H new ATOM 0 HB3 ALA A 10 3.586 7.619 2.585 1.00 10.02 H new ATOM 180 N LEU A 11 5.509 6.131 0.636 1.00 31.44 N ATOM 181 CA LEU A 11 6.021 4.786 0.398 1.00 60.44 C ATOM 182 C LEU A 11 7.242 4.822 -0.516 1.00 53.13 C ATOM 183 O LEU A 11 8.026 3.874 -0.561 1.00 34.33 O ATOM 184 CB LEU A 11 4.933 3.907 -0.221 1.00 33.50 C ATOM 185 CG LEU A 11 4.001 3.200 0.764 1.00 74.33 C ATOM 186 CD1 LEU A 11 2.568 3.222 0.253 1.00 63.01 C ATOM 187 CD2 LEU A 11 4.462 1.769 1.001 1.00 13.15 C ATOM 0 H LEU A 11 4.718 6.392 0.047 1.00 31.44 H new ATOM 0 HA LEU A 11 6.320 4.363 1.357 1.00 60.44 H new ATOM 0 HB2 LEU A 11 4.327 4.525 -0.883 1.00 33.50 H new ATOM 0 HB3 LEU A 11 5.414 3.151 -0.842 1.00 33.50 H new ATOM 0 HG LEU A 11 4.035 3.734 1.714 1.00 74.33 H new ATOM 0 HD11 LEU A 11 1.919 2.714 0.967 1.00 63.01 H new ATOM 0 HD12 LEU A 11 2.240 4.255 0.135 1.00 63.01 H new ATOM 0 HD13 LEU A 11 2.517 2.713 -0.709 1.00 63.01 H new ATOM 0 HD21 LEU A 11 3.787 1.281 1.704 1.00 13.15 H new ATOM 0 HD22 LEU A 11 4.458 1.224 0.057 1.00 13.15 H new ATOM 0 HD23 LEU A 11 5.472 1.775 1.412 1.00 13.15 H new ATOM 199 N PHE A 12 7.398 5.924 -1.243 1.00 32.22 N ATOM 200 CA PHE A 12 8.524 6.085 -2.155 1.00 60.20 C ATOM 201 C PHE A 12 9.629 6.918 -1.513 1.00 24.13 C ATOM 202 O PHE A 12 10.809 6.745 -1.818 1.00 13.52 O ATOM 203 CB PHE A 12 8.063 6.745 -3.456 1.00 63.23 C ATOM 204 CG PHE A 12 7.387 5.795 -4.403 1.00 50.13 C ATOM 205 CD1 PHE A 12 6.254 5.098 -4.015 1.00 25.21 C ATOM 206 CD2 PHE A 12 7.884 5.599 -5.682 1.00 1.43 C ATOM 207 CE1 PHE A 12 5.629 4.223 -4.884 1.00 4.41 C ATOM 208 CE2 PHE A 12 7.263 4.727 -6.555 1.00 60.22 C ATOM 209 CZ PHE A 12 6.135 4.037 -6.155 1.00 41.04 C ATOM 0 H PHE A 12 6.759 6.718 -1.218 1.00 32.22 H new ATOM 0 HA PHE A 12 8.923 5.095 -2.379 1.00 60.20 H new ATOM 0 HB2 PHE A 12 7.377 7.558 -3.218 1.00 63.23 H new ATOM 0 HB3 PHE A 12 8.925 7.190 -3.954 1.00 63.23 H new ATOM 0 HD1 PHE A 12 5.854 5.240 -3.022 1.00 25.21 H new ATOM 0 HD2 PHE A 12 8.767 6.134 -6.000 1.00 1.43 H new ATOM 0 HE1 PHE A 12 4.746 3.686 -4.569 1.00 4.41 H new ATOM 0 HE2 PHE A 12 7.659 4.585 -7.550 1.00 60.22 H new ATOM 0 HZ PHE A 12 5.650 3.353 -6.836 1.00 41.04 H new ATOM 219 N GLY A 13 9.238 7.823 -0.621 1.00 11.11 N ATOM 220 CA GLY A 13 10.206 8.670 0.050 1.00 4.33 C ATOM 221 C GLY A 13 10.777 8.024 1.297 1.00 33.11 C ATOM 222 O GLY A 13 11.832 8.426 1.787 1.00 42.25 O ATOM 0 H GLY A 13 8.268 7.985 -0.351 1.00 11.11 H new ATOM 0 HA2 GLY A 13 11.018 8.904 -0.638 1.00 4.33 H new ATOM 0 HA3 GLY A 13 9.733 9.615 0.318 1.00 4.33 H new ATOM 226 N VAL A 14 10.076 7.019 1.814 1.00 4.22 N ATOM 227 CA VAL A 14 10.519 6.316 3.012 1.00 31.12 C ATOM 228 C VAL A 14 11.110 4.955 2.664 1.00 72.54 C ATOM 229 O VAL A 14 11.924 4.409 3.410 1.00 13.02 O ATOM 230 CB VAL A 14 9.361 6.121 4.008 1.00 35.34 C ATOM 231 CG1 VAL A 14 9.837 5.368 5.241 1.00 23.11 C ATOM 232 CG2 VAL A 14 8.758 7.463 4.393 1.00 15.15 C ATOM 0 H VAL A 14 9.200 6.674 1.422 1.00 4.22 H new ATOM 0 HA VAL A 14 11.288 6.934 3.476 1.00 31.12 H new ATOM 0 HB VAL A 14 8.586 5.525 3.525 1.00 35.34 H new ATOM 0 HG11 VAL A 14 9.005 5.240 5.933 1.00 23.11 H new ATOM 0 HG12 VAL A 14 10.217 4.390 4.946 1.00 23.11 H new ATOM 0 HG13 VAL A 14 10.631 5.934 5.729 1.00 23.11 H new ATOM 0 HG21 VAL A 14 7.941 7.306 5.097 1.00 15.15 H new ATOM 0 HG22 VAL A 14 9.523 8.086 4.857 1.00 15.15 H new ATOM 0 HG23 VAL A 14 8.377 7.960 3.501 1.00 15.15 H new ATOM 242 N LEU A 15 10.696 4.410 1.525 1.00 52.33 N ATOM 243 CA LEU A 15 11.185 3.111 1.075 1.00 14.34 C ATOM 244 C LEU A 15 12.103 3.263 -0.133 1.00 50.40 C ATOM 245 O LEU A 15 12.965 2.421 -0.380 1.00 40.23 O ATOM 246 CB LEU A 15 10.010 2.196 0.726 1.00 63.42 C ATOM 247 CG LEU A 15 10.190 0.715 1.063 1.00 42.01 C ATOM 248 CD1 LEU A 15 8.841 0.016 1.135 1.00 44.24 C ATOM 249 CD2 LEU A 15 11.089 0.040 0.037 1.00 31.22 C ATOM 0 H LEU A 15 10.023 4.848 0.896 1.00 52.33 H new ATOM 0 HA LEU A 15 11.757 2.664 1.888 1.00 14.34 H new ATOM 0 HB2 LEU A 15 9.124 2.561 1.245 1.00 63.42 H new ATOM 0 HB3 LEU A 15 9.812 2.284 -0.342 1.00 63.42 H new ATOM 0 HG LEU A 15 10.667 0.640 2.040 1.00 42.01 H new ATOM 0 HD11 LEU A 15 8.989 -1.037 1.376 1.00 44.24 H new ATOM 0 HD12 LEU A 15 8.230 0.483 1.908 1.00 44.24 H new ATOM 0 HD13 LEU A 15 8.336 0.101 0.173 1.00 44.24 H new ATOM 0 HD21 LEU A 15 11.206 -1.013 0.293 1.00 31.22 H new ATOM 0 HD22 LEU A 15 10.640 0.126 -0.953 1.00 31.22 H new ATOM 0 HD23 LEU A 15 12.066 0.524 0.035 1.00 31.22 H new ATOM 261 N GLY A 16 11.913 4.345 -0.882 1.00 51.41 N ATOM 262 CA GLY A 16 12.733 4.589 -2.054 1.00 51.54 C ATOM 263 C GLY A 16 13.938 5.457 -1.749 1.00 14.21 C ATOM 264 O GLY A 16 14.873 5.535 -2.545 1.00 31.32 O ATOM 0 H GLY A 16 11.206 5.057 -0.698 1.00 51.41 H new ATOM 0 HA2 GLY A 16 13.070 3.636 -2.463 1.00 51.54 H new ATOM 0 HA3 GLY A 16 12.128 5.070 -2.823 1.00 51.54 H new ATOM 268 N ALA A 17 13.915 6.113 -0.593 1.00 53.02 N ATOM 269 CA ALA A 17 15.013 6.979 -0.185 1.00 4.35 C ATOM 270 C ALA A 17 16.202 6.162 0.311 1.00 52.01 C ATOM 271 O ALA A 17 17.353 6.488 0.025 1.00 5.14 O ATOM 272 CB ALA A 17 14.550 7.947 0.894 1.00 35.11 C ATOM 0 H ALA A 17 13.148 6.061 0.077 1.00 53.02 H new ATOM 0 HA ALA A 17 15.335 7.550 -1.056 1.00 4.35 H new ATOM 0 HB1 ALA A 17 15.381 8.588 1.189 1.00 35.11 H new ATOM 0 HB2 ALA A 17 13.737 8.562 0.507 1.00 35.11 H new ATOM 0 HB3 ALA A 17 14.199 7.386 1.760 1.00 35.11 H new ATOM 278 N ALA A 18 15.914 5.099 1.055 1.00 0.20 N ATOM 279 CA ALA A 18 16.959 4.235 1.589 1.00 62.21 C ATOM 280 C ALA A 18 17.238 3.066 0.650 1.00 51.11 C ATOM 281 O ALA A 18 17.843 2.069 1.046 1.00 72.22 O ATOM 282 CB ALA A 18 16.569 3.725 2.968 1.00 31.32 C ATOM 0 H ALA A 18 14.966 4.816 1.301 1.00 0.20 H new ATOM 0 HA ALA A 18 17.873 4.823 1.676 1.00 62.21 H new ATOM 0 HB1 ALA A 18 17.359 3.081 3.355 1.00 31.32 H new ATOM 0 HB2 ALA A 18 16.428 4.570 3.642 1.00 31.32 H new ATOM 0 HB3 ALA A 18 15.641 3.158 2.897 1.00 31.32 H new ATOM 288 N LEU A 19 16.793 3.195 -0.595 1.00 71.42 N ATOM 289 CA LEU A 19 16.994 2.148 -1.591 1.00 50.14 C ATOM 290 C LEU A 19 17.876 2.645 -2.732 1.00 63.43 C ATOM 291 O LEU A 19 18.442 1.850 -3.483 1.00 62.43 O ATOM 292 CB LEU A 19 15.647 1.675 -2.142 1.00 24.13 C ATOM 293 CG LEU A 19 15.622 0.265 -2.733 1.00 10.00 C ATOM 294 CD1 LEU A 19 14.431 -0.516 -2.200 1.00 54.23 C ATOM 295 CD2 LEU A 19 15.586 0.325 -4.253 1.00 63.21 C ATOM 0 H LEU A 19 16.291 4.014 -0.939 1.00 71.42 H new ATOM 0 HA LEU A 19 17.496 1.311 -1.106 1.00 50.14 H new ATOM 0 HB2 LEU A 19 14.911 1.724 -1.339 1.00 24.13 H new ATOM 0 HB3 LEU A 19 15.326 2.376 -2.912 1.00 24.13 H new ATOM 0 HG LEU A 19 16.533 -0.251 -2.431 1.00 10.00 H new ATOM 0 HD11 LEU A 19 14.430 -1.517 -2.632 1.00 54.23 H new ATOM 0 HD12 LEU A 19 14.500 -0.589 -1.115 1.00 54.23 H new ATOM 0 HD13 LEU A 19 13.508 -0.003 -2.471 1.00 54.23 H new ATOM 0 HD21 LEU A 19 15.569 -0.687 -4.657 1.00 63.21 H new ATOM 0 HD22 LEU A 19 14.692 0.860 -4.575 1.00 63.21 H new ATOM 0 HD23 LEU A 19 16.471 0.846 -4.618 1.00 63.21 H new ATOM 307 N ILE A 20 17.990 3.963 -2.855 1.00 23.35 N ATOM 308 CA ILE A 20 18.807 4.565 -3.901 1.00 74.55 C ATOM 309 C ILE A 20 20.055 5.218 -3.318 1.00 54.21 C ATOM 310 O ILE A 20 20.220 6.435 -3.386 1.00 43.34 O ATOM 311 CB ILE A 20 18.014 5.618 -4.698 1.00 72.40 C ATOM 312 CG1 ILE A 20 16.667 5.044 -5.145 1.00 25.14 C ATOM 313 CG2 ILE A 20 18.819 6.090 -5.899 1.00 61.12 C ATOM 314 CD1 ILE A 20 16.794 3.888 -6.112 1.00 22.22 C ATOM 0 H ILE A 20 17.527 4.635 -2.243 1.00 23.35 H new ATOM 0 HA ILE A 20 19.103 3.759 -4.573 1.00 74.55 H new ATOM 0 HB ILE A 20 17.826 6.475 -4.052 1.00 72.40 H new ATOM 0 HG12 ILE A 20 16.113 4.713 -4.267 1.00 25.14 H new ATOM 0 HG13 ILE A 20 16.081 5.835 -5.612 1.00 25.14 H new ATOM 0 HG21 ILE A 20 18.245 6.834 -6.452 1.00 61.12 H new ATOM 0 HG22 ILE A 20 19.755 6.533 -5.558 1.00 61.12 H new ATOM 0 HG23 ILE A 20 19.035 5.242 -6.549 1.00 61.12 H new ATOM 0 HD11 ILE A 20 15.801 3.532 -6.386 1.00 22.22 H new ATOM 0 HD12 ILE A 20 17.320 4.219 -7.007 1.00 22.22 H new ATOM 0 HD13 ILE A 20 17.352 3.079 -5.641 1.00 22.22 H new ATOM 326 N GLY A 21 20.932 4.400 -2.745 1.00 61.20 N ATOM 327 CA GLY A 21 22.155 4.916 -2.159 1.00 43.24 C ATOM 328 C GLY A 21 22.928 3.855 -1.401 1.00 13.34 C ATOM 329 O GLY A 21 24.156 3.898 -1.337 1.00 51.44 O ATOM 0 H GLY A 21 20.817 3.389 -2.676 1.00 61.20 H new ATOM 0 HA2 GLY A 21 22.786 5.328 -2.947 1.00 43.24 H new ATOM 0 HA3 GLY A 21 21.913 5.736 -1.484 1.00 43.24 H new ATOM 333 N ALA A 22 22.206 2.901 -0.822 1.00 24.12 N ATOM 334 CA ALA A 22 22.832 1.824 -0.064 1.00 13.32 C ATOM 335 C ALA A 22 22.388 0.460 -0.580 1.00 61.22 C ATOM 336 O ALA A 22 22.485 -0.543 0.127 1.00 21.43 O ATOM 337 CB ALA A 22 22.506 1.962 1.416 1.00 53.20 C ATOM 0 H ALA A 22 21.188 2.852 -0.863 1.00 24.12 H new ATOM 0 HA ALA A 22 23.911 1.900 -0.196 1.00 13.32 H new ATOM 0 HB1 ALA A 22 22.980 1.152 1.970 1.00 53.20 H new ATOM 0 HB2 ALA A 22 22.878 2.918 1.783 1.00 53.20 H new ATOM 0 HB3 ALA A 22 21.426 1.915 1.557 1.00 53.20 H new ATOM 343 N ILE A 23 21.901 0.430 -1.816 1.00 70.10 N ATOM 344 CA ILE A 23 21.443 -0.812 -2.426 1.00 70.12 C ATOM 345 C ILE A 23 21.977 -0.956 -3.847 1.00 63.12 C ATOM 346 O ILE A 23 22.739 -1.876 -4.144 1.00 41.34 O ATOM 347 CB ILE A 23 19.905 -0.890 -2.458 1.00 22.23 C ATOM 348 CG1 ILE A 23 19.326 -0.515 -1.092 1.00 73.51 C ATOM 349 CG2 ILE A 23 19.454 -2.285 -2.866 1.00 50.41 C ATOM 350 CD1 ILE A 23 19.736 -1.458 0.018 1.00 43.33 C ATOM 0 H ILE A 23 21.813 1.251 -2.414 1.00 70.10 H new ATOM 0 HA ILE A 23 21.828 -1.626 -1.811 1.00 70.12 H new ATOM 0 HB ILE A 23 19.534 -0.179 -3.197 1.00 22.23 H new ATOM 0 HG12 ILE A 23 19.645 0.495 -0.836 1.00 73.51 H new ATOM 0 HG13 ILE A 23 18.238 -0.498 -1.160 1.00 73.51 H new ATOM 0 HG21 ILE A 23 18.365 -2.325 -2.884 1.00 50.41 H new ATOM 0 HG22 ILE A 23 19.842 -2.517 -3.858 1.00 50.41 H new ATOM 0 HG23 ILE A 23 19.832 -3.014 -2.149 1.00 50.41 H new ATOM 0 HD11 ILE A 23 19.289 -1.131 0.957 1.00 43.33 H new ATOM 0 HD12 ILE A 23 19.393 -2.466 -0.216 1.00 43.33 H new ATOM 0 HD13 ILE A 23 20.822 -1.457 0.113 1.00 43.33 H new ATOM 362 N ALA A 24 21.574 -0.040 -4.721 1.00 54.20 N ATOM 363 CA ALA A 24 22.015 -0.062 -6.110 1.00 73.21 C ATOM 364 C ALA A 24 22.307 1.346 -6.616 1.00 41.30 C ATOM 365 O ALA A 24 21.607 1.881 -7.476 1.00 71.33 O ATOM 366 CB ALA A 24 20.967 -0.733 -6.986 1.00 13.21 C ATOM 0 H ALA A 24 20.942 0.727 -4.491 1.00 54.20 H new ATOM 0 HA ALA A 24 22.939 -0.637 -6.163 1.00 73.21 H new ATOM 0 HB1 ALA A 24 21.310 -0.742 -8.021 1.00 13.21 H new ATOM 0 HB2 ALA A 24 20.810 -1.757 -6.646 1.00 13.21 H new ATOM 0 HB3 ALA A 24 20.029 -0.181 -6.919 1.00 13.21 H new