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 0.175 6.398 -0.077 1.00 64.32 N ATOM 116 CA GLU A 7 0.787 5.074 -0.046 1.00 43.42 C ATOM 117 C GLU A 7 1.988 5.008 -0.985 1.00 44.33 C ATOM 118 O GLU A 7 3.090 4.643 -0.576 1.00 23.41 O ATOM 119 CB GLU A 7 -0.237 4.006 -0.434 1.00 64.50 C ATOM 120 CG GLU A 7 -0.988 3.424 0.752 1.00 71.04 C ATOM 121 CD GLU A 7 -1.396 1.980 0.532 1.00 14.23 C ATOM 122 OE1 GLU A 7 -0.556 1.085 0.757 1.00 21.42 O ATOM 123 OE2 GLU A 7 -2.557 1.746 0.136 1.00 54.43 O ATOM 0 HA GLU A 7 1.132 4.884 0.971 1.00 43.42 H new ATOM 0 HB2 GLU A 7 -0.955 4.439 -1.131 1.00 64.50 H new ATOM 0 HB3 GLU A 7 0.273 3.200 -0.961 1.00 64.50 H new ATOM 0 HG2 GLU A 7 -0.361 3.489 1.642 1.00 71.04 H new ATOM 0 HG3 GLU A 7 -1.878 4.024 0.944 1.00 71.04 H new ATOM 130 N ARG A 8 1.766 5.364 -2.246 1.00 43.23 N ATOM 131 CA ARG A 8 2.829 5.344 -3.244 1.00 71.23 C ATOM 132 C ARG A 8 3.787 6.514 -3.042 1.00 51.35 C ATOM 133 O ARG A 8 4.954 6.449 -3.429 1.00 71.20 O ATOM 134 CB ARG A 8 2.235 5.394 -4.653 1.00 63.14 C ATOM 135 CG ARG A 8 3.277 5.303 -5.757 1.00 11.44 C ATOM 136 CD ARG A 8 3.156 6.463 -6.733 1.00 64.10 C ATOM 137 NE ARG A 8 3.870 6.204 -7.981 1.00 11.33 N ATOM 138 CZ ARG A 8 4.059 7.121 -8.923 1.00 53.21 C ATOM 139 NH1 ARG A 8 3.590 8.351 -8.760 1.00 34.40 N ATOM 140 NH2 ARG A 8 4.718 6.809 -10.031 1.00 44.43 N ATOM 0 H ARG A 8 0.860 5.670 -2.601 1.00 43.23 H new ATOM 0 HA ARG A 8 3.388 4.416 -3.125 1.00 71.23 H new ATOM 0 HB2 ARG A 8 1.524 4.576 -4.768 1.00 63.14 H new ATOM 0 HB3 ARG A 8 1.675 6.322 -4.769 1.00 63.14 H new ATOM 0 HG2 ARG A 8 4.275 5.298 -5.318 1.00 11.44 H new ATOM 0 HG3 ARG A 8 3.160 4.361 -6.293 1.00 11.44 H new ATOM 0 HD2 ARG A 8 2.104 6.647 -6.949 1.00 64.10 H new ATOM 0 HD3 ARG A 8 3.550 7.368 -6.271 1.00 64.10 H new ATOM 0 HE ARG A 8 4.244 5.268 -8.137 1.00 11.33 H new ATOM 0 HH11 ARG A 8 3.083 8.595 -7.909 1.00 34.40 H new ATOM 0 HH12 ARG A 8 3.737 9.053 -9.485 1.00 34.40 H new ATOM 0 HH21 ARG A 8 5.080 5.864 -10.160 1.00 44.43 H new ATOM 0 HH22 ARG A 8 4.863 7.514 -10.754 1.00 44.43 H new ATOM 154 N VAL A 9 3.285 7.585 -2.435 1.00 23.11 N ATOM 155 CA VAL A 9 4.096 8.770 -2.181 1.00 61.20 C ATOM 156 C VAL A 9 4.838 8.654 -0.854 1.00 64.15 C ATOM 157 O VAL A 9 5.788 9.393 -0.596 1.00 71.03 O ATOM 158 CB VAL A 9 3.234 10.046 -2.165 1.00 4.43 C ATOM 159 CG1 VAL A 9 4.093 11.266 -1.867 1.00 52.41 C ATOM 160 CG2 VAL A 9 2.501 10.210 -3.487 1.00 53.32 C ATOM 0 H VAL A 9 2.321 7.656 -2.110 1.00 23.11 H new ATOM 0 HA VAL A 9 4.820 8.839 -2.993 1.00 61.20 H new ATOM 0 HB VAL A 9 2.491 9.952 -1.373 1.00 4.43 H new ATOM 0 HG11 VAL A 9 3.467 12.159 -1.860 1.00 52.41 H new ATOM 0 HG12 VAL A 9 4.568 11.148 -0.893 1.00 52.41 H new ATOM 0 HG13 VAL A 9 4.860 11.367 -2.635 1.00 52.41 H new ATOM 0 HG21 VAL A 9 1.897 11.117 -3.458 1.00 53.32 H new ATOM 0 HG22 VAL A 9 3.225 10.283 -4.298 1.00 53.32 H new ATOM 0 HG23 VAL A 9 1.855 9.348 -3.654 1.00 53.32 H new ATOM 170 N ALA A 10 4.399 7.721 -0.016 1.00 62.45 N ATOM 171 CA ALA A 10 5.024 7.506 1.283 1.00 74.20 C ATOM 172 C ALA A 10 5.896 6.255 1.273 1.00 74.11 C ATOM 173 O ALA A 10 6.830 6.130 2.066 1.00 51.51 O ATOM 174 CB ALA A 10 3.962 7.403 2.368 1.00 31.30 C ATOM 0 H ALA A 10 3.613 7.102 -0.214 1.00 62.45 H new ATOM 0 HA ALA A 10 5.665 8.361 1.496 1.00 74.20 H new ATOM 0 HB1 ALA A 10 4.442 7.242 3.333 1.00 31.30 H new ATOM 0 HB2 ALA A 10 3.383 8.326 2.400 1.00 31.30 H new ATOM 0 HB3 ALA A 10 3.298 6.566 2.149 1.00 31.30 H new ATOM 180 N LEU A 11 5.585 5.330 0.371 1.00 12.14 N ATOM 181 CA LEU A 11 6.340 4.087 0.258 1.00 3.25 C ATOM 182 C LEU A 11 7.554 4.268 -0.648 1.00 10.15 C ATOM 183 O LEU A 11 8.528 3.520 -0.555 1.00 53.32 O ATOM 184 CB LEU A 11 5.446 2.971 -0.285 1.00 0.35 C ATOM 185 CG LEU A 11 4.417 2.401 0.692 1.00 21.51 C ATOM 186 CD1 LEU A 11 3.437 1.492 -0.035 1.00 5.51 C ATOM 187 CD2 LEU A 11 5.111 1.647 1.818 1.00 52.23 C ATOM 0 H LEU A 11 4.815 5.417 -0.293 1.00 12.14 H new ATOM 0 HA LEU A 11 6.690 3.812 1.253 1.00 3.25 H new ATOM 0 HB2 LEU A 11 4.917 3.350 -1.159 1.00 0.35 H new ATOM 0 HB3 LEU A 11 6.084 2.156 -0.627 1.00 0.35 H new ATOM 0 HG LEU A 11 3.859 3.230 1.126 1.00 21.51 H new ATOM 0 HD11 LEU A 11 2.712 1.096 0.676 1.00 5.51 H new ATOM 0 HD12 LEU A 11 2.916 2.061 -0.805 1.00 5.51 H new ATOM 0 HD13 LEU A 11 3.980 0.668 -0.497 1.00 5.51 H new ATOM 0 HD21 LEU A 11 4.363 1.248 2.504 1.00 52.23 H new ATOM 0 HD22 LEU A 11 5.695 0.827 1.401 1.00 52.23 H new ATOM 0 HD23 LEU A 11 5.772 2.326 2.357 1.00 52.23 H new ATOM 199 N PHE A 12 7.490 5.267 -1.522 1.00 33.13 N ATOM 200 CA PHE A 12 8.584 5.547 -2.444 1.00 11.40 C ATOM 201 C PHE A 12 9.534 6.589 -1.860 1.00 53.22 C ATOM 202 O PHE A 12 10.713 6.635 -2.209 1.00 33.25 O ATOM 203 CB PHE A 12 8.035 6.036 -3.786 1.00 43.11 C ATOM 204 CG PHE A 12 7.511 4.931 -4.658 1.00 23.22 C ATOM 205 CD1 PHE A 12 6.481 4.115 -4.220 1.00 33.32 C ATOM 206 CD2 PHE A 12 8.049 4.708 -5.915 1.00 52.32 C ATOM 207 CE1 PHE A 12 5.997 3.097 -5.020 1.00 23.54 C ATOM 208 CE2 PHE A 12 7.569 3.692 -6.720 1.00 22.22 C ATOM 209 CZ PHE A 12 6.541 2.886 -6.272 1.00 23.44 C ATOM 0 H PHE A 12 6.692 5.896 -1.611 1.00 33.13 H new ATOM 0 HA PHE A 12 9.139 4.622 -2.602 1.00 11.40 H new ATOM 0 HB2 PHE A 12 7.235 6.753 -3.603 1.00 43.11 H new ATOM 0 HB3 PHE A 12 8.823 6.567 -4.320 1.00 43.11 H new ATOM 0 HD1 PHE A 12 6.051 4.276 -3.242 1.00 33.32 H new ATOM 0 HD2 PHE A 12 8.853 5.335 -6.270 1.00 52.32 H new ATOM 0 HE1 PHE A 12 5.194 2.467 -4.666 1.00 23.54 H new ATOM 0 HE2 PHE A 12 7.997 3.529 -7.698 1.00 22.22 H new ATOM 0 HZ PHE A 12 6.163 2.092 -6.899 1.00 23.44 H new ATOM 219 N GLY A 13 9.010 7.426 -0.969 1.00 52.05 N ATOM 220 CA GLY A 13 9.824 8.457 -0.352 1.00 34.32 C ATOM 221 C GLY A 13 10.508 7.975 0.912 1.00 44.12 C ATOM 222 O GLY A 13 11.382 8.655 1.451 1.00 62.53 O ATOM 0 H GLY A 13 8.037 7.408 -0.664 1.00 52.05 H new ATOM 0 HA2 GLY A 13 10.578 8.795 -1.063 1.00 34.32 H new ATOM 0 HA3 GLY A 13 9.198 9.318 -0.117 1.00 34.32 H new ATOM 226 N VAL A 14 10.110 6.799 1.388 1.00 42.53 N ATOM 227 CA VAL A 14 10.691 6.228 2.596 1.00 22.45 C ATOM 228 C VAL A 14 11.481 4.963 2.281 1.00 24.40 C ATOM 229 O VAL A 14 12.342 4.545 3.057 1.00 33.14 O ATOM 230 CB VAL A 14 9.606 5.896 3.638 1.00 70.51 C ATOM 231 CG1 VAL A 14 10.233 5.309 4.894 1.00 55.51 C ATOM 232 CG2 VAL A 14 8.788 7.135 3.968 1.00 23.04 C ATOM 0 H VAL A 14 9.388 6.224 0.955 1.00 42.53 H new ATOM 0 HA VAL A 14 11.364 6.980 3.009 1.00 22.45 H new ATOM 0 HB VAL A 14 8.935 5.149 3.214 1.00 70.51 H new ATOM 0 HG11 VAL A 14 9.451 5.081 5.618 1.00 55.51 H new ATOM 0 HG12 VAL A 14 10.770 4.395 4.640 1.00 55.51 H new ATOM 0 HG13 VAL A 14 10.928 6.030 5.325 1.00 55.51 H new ATOM 0 HG21 VAL A 14 8.026 6.882 4.706 1.00 23.04 H new ATOM 0 HG22 VAL A 14 9.443 7.906 4.373 1.00 23.04 H new ATOM 0 HG23 VAL A 14 8.307 7.506 3.063 1.00 23.04 H new ATOM 242 N LEU A 15 11.185 4.356 1.137 1.00 53.41 N ATOM 243 CA LEU A 15 11.868 3.138 0.717 1.00 21.20 C ATOM 244 C LEU A 15 12.770 3.405 -0.484 1.00 13.31 C ATOM 245 O LEU A 15 13.717 2.663 -0.739 1.00 4.50 O ATOM 246 CB LEU A 15 10.848 2.051 0.372 1.00 65.03 C ATOM 247 CG LEU A 15 11.203 0.632 0.818 1.00 51.01 C ATOM 248 CD1 LEU A 15 12.499 0.175 0.166 1.00 54.43 C ATOM 249 CD2 LEU A 15 11.313 0.562 2.334 1.00 60.50 C ATOM 0 H LEU A 15 10.476 4.688 0.483 1.00 53.41 H new ATOM 0 HA LEU A 15 12.489 2.796 1.545 1.00 21.20 H new ATOM 0 HB2 LEU A 15 9.892 2.323 0.820 1.00 65.03 H new ATOM 0 HB3 LEU A 15 10.704 2.046 -0.708 1.00 65.03 H new ATOM 0 HG LEU A 15 10.405 -0.039 0.500 1.00 51.01 H new ATOM 0 HD11 LEU A 15 12.735 -0.837 0.496 1.00 54.43 H new ATOM 0 HD12 LEU A 15 12.385 0.186 -0.918 1.00 54.43 H new ATOM 0 HD13 LEU A 15 13.307 0.848 0.452 1.00 54.43 H new ATOM 0 HD21 LEU A 15 11.566 -0.455 2.634 1.00 60.50 H new ATOM 0 HD22 LEU A 15 12.091 1.245 2.674 1.00 60.50 H new ATOM 0 HD23 LEU A 15 10.360 0.846 2.781 1.00 60.50 H new ATOM 261 N GLY A 16 12.468 4.472 -1.218 1.00 5.42 N ATOM 262 CA GLY A 16 13.262 4.820 -2.382 1.00 3.32 C ATOM 263 C GLY A 16 14.012 6.126 -2.203 1.00 72.33 C ATOM 264 O GLY A 16 14.481 6.718 -3.175 1.00 33.31 O ATOM 0 H GLY A 16 11.688 5.101 -1.027 1.00 5.42 H new ATOM 0 HA2 GLY A 16 13.974 4.020 -2.584 1.00 3.32 H new ATOM 0 HA3 GLY A 16 12.611 4.895 -3.253 1.00 3.32 H new ATOM 268 N ALA A 17 14.124 6.576 -0.958 1.00 53.51 N ATOM 269 CA ALA A 17 14.822 7.820 -0.656 1.00 34.13 C ATOM 270 C ALA A 17 16.003 7.574 0.277 1.00 73.31 C ATOM 271 O ALA A 17 17.012 8.274 0.213 1.00 4.32 O ATOM 272 CB ALA A 17 13.862 8.828 -0.040 1.00 71.44 C ATOM 0 H ALA A 17 13.741 6.098 -0.142 1.00 53.51 H new ATOM 0 HA ALA A 17 15.209 8.227 -1.590 1.00 34.13 H new ATOM 0 HB1 ALA A 17 14.397 9.752 0.180 1.00 71.44 H new ATOM 0 HB2 ALA A 17 13.053 9.035 -0.741 1.00 71.44 H new ATOM 0 HB3 ALA A 17 13.448 8.420 0.882 1.00 71.44 H new ATOM 278 N ALA A 18 15.869 6.574 1.143 1.00 52.52 N ATOM 279 CA ALA A 18 16.926 6.236 2.088 1.00 73.54 C ATOM 280 C ALA A 18 17.522 4.867 1.776 1.00 1.03 C ATOM 281 O ALA A 18 18.133 4.234 2.638 1.00 30.15 O ATOM 282 CB ALA A 18 16.391 6.269 3.512 1.00 62.03 C ATOM 0 H ALA A 18 15.039 5.984 1.209 1.00 52.52 H new ATOM 0 HA ALA A 18 17.718 6.979 1.992 1.00 73.54 H new ATOM 0 HB1 ALA A 18 17.191 6.015 4.207 1.00 62.03 H new ATOM 0 HB2 ALA A 18 16.018 7.268 3.738 1.00 62.03 H new ATOM 0 HB3 ALA A 18 15.580 5.548 3.613 1.00 62.03 H new ATOM 288 N LEU A 19 17.341 4.415 0.540 1.00 12.24 N ATOM 289 CA LEU A 19 17.861 3.120 0.115 1.00 12.22 C ATOM 290 C LEU A 19 18.561 3.231 -1.235 1.00 41.44 C ATOM 291 O LEU A 19 19.711 2.817 -1.385 1.00 40.21 O ATOM 292 CB LEU A 19 16.728 2.096 0.032 1.00 32.12 C ATOM 293 CG LEU A 19 16.928 0.807 0.830 1.00 4.12 C ATOM 294 CD1 LEU A 19 16.168 0.870 2.146 1.00 72.13 C ATOM 295 CD2 LEU A 19 16.488 -0.399 0.014 1.00 33.53 C ATOM 0 H LEU A 19 16.838 4.926 -0.185 1.00 12.24 H new ATOM 0 HA LEU A 19 18.589 2.788 0.855 1.00 12.22 H new ATOM 0 HB2 LEU A 19 15.809 2.572 0.374 1.00 32.12 H new ATOM 0 HB3 LEU A 19 16.580 1.832 -1.015 1.00 32.12 H new ATOM 0 HG LEU A 19 17.990 0.701 1.053 1.00 4.12 H new ATOM 0 HD11 LEU A 19 16.322 -0.056 2.700 1.00 72.13 H new ATOM 0 HD12 LEU A 19 16.532 1.711 2.736 1.00 72.13 H new ATOM 0 HD13 LEU A 19 15.104 1.000 1.946 1.00 72.13 H new ATOM 0 HD21 LEU A 19 16.638 -1.307 0.598 1.00 33.53 H new ATOM 0 HD22 LEU A 19 15.433 -0.301 -0.240 1.00 33.53 H new ATOM 0 HD23 LEU A 19 17.078 -0.454 -0.901 1.00 33.53 H new ATOM 307 N ILE A 20 17.861 3.795 -2.214 1.00 61.43 N ATOM 308 CA ILE A 20 18.417 3.963 -3.551 1.00 42.30 C ATOM 309 C ILE A 20 19.789 4.628 -3.496 1.00 75.02 C ATOM 310 O ILE A 20 20.644 4.382 -4.346 1.00 33.14 O ATOM 311 CB ILE A 20 17.487 4.804 -4.446 1.00 22.23 C ATOM 312 CG1 ILE A 20 16.112 4.142 -4.554 1.00 20.43 C ATOM 313 CG2 ILE A 20 18.103 4.987 -5.825 1.00 14.00 C ATOM 314 CD1 ILE A 20 16.143 2.793 -5.238 1.00 32.11 C ATOM 0 H ILE A 20 16.908 4.143 -2.106 1.00 61.43 H new ATOM 0 HA ILE A 20 18.516 2.966 -3.979 1.00 42.30 H new ATOM 0 HB ILE A 20 17.361 5.787 -3.992 1.00 22.23 H new ATOM 0 HG12 ILE A 20 15.695 4.024 -3.554 1.00 20.43 H new ATOM 0 HG13 ILE A 20 15.441 4.803 -5.103 1.00 20.43 H new ATOM 0 HG21 ILE A 20 17.434 5.583 -6.446 1.00 14.00 H new ATOM 0 HG22 ILE A 20 19.062 5.497 -5.730 1.00 14.00 H new ATOM 0 HG23 ILE A 20 18.255 4.012 -6.288 1.00 14.00 H new ATOM 0 HD11 ILE A 20 15.134 2.383 -5.279 1.00 32.11 H new ATOM 0 HD12 ILE A 20 16.530 2.907 -6.251 1.00 32.11 H new ATOM 0 HD13 ILE A 20 16.787 2.116 -4.678 1.00 32.11 H new ATOM 326 N GLY A 21 19.992 5.471 -2.488 1.00 54.44 N ATOM 327 CA GLY A 21 21.262 6.158 -2.340 1.00 33.41 C ATOM 328 C GLY A 21 22.302 5.306 -1.640 1.00 2.22 C ATOM 329 O GLY A 21 23.499 5.446 -1.891 1.00 31.44 O ATOM 0 H GLY A 21 19.300 5.690 -1.772 1.00 54.44 H new ATOM 0 HA2 GLY A 21 21.634 6.445 -3.324 1.00 33.41 H new ATOM 0 HA3 GLY A 21 21.111 7.078 -1.776 1.00 33.41 H new ATOM 333 N ALA A 22 21.846 4.423 -0.758 1.00 72.31 N ATOM 334 CA ALA A 22 22.746 3.546 -0.020 1.00 31.52 C ATOM 335 C ALA A 22 22.515 2.084 -0.390 1.00 52.43 C ATOM 336 O ALA A 22 22.568 1.201 0.466 1.00 13.54 O ATOM 337 CB ALA A 22 22.568 3.747 1.478 1.00 62.31 C ATOM 0 H ALA A 22 20.858 4.296 -0.537 1.00 72.31 H new ATOM 0 HA ALA A 22 23.769 3.805 -0.292 1.00 31.52 H new ATOM 0 HB1 ALA A 22 23.246 3.086 2.017 1.00 62.31 H new ATOM 0 HB2 ALA A 22 22.790 4.783 1.735 1.00 62.31 H new ATOM 0 HB3 ALA A 22 21.540 3.517 1.756 1.00 62.31 H new ATOM 343 N ILE A 23 22.258 1.837 -1.670 1.00 60.02 N ATOM 344 CA ILE A 23 22.019 0.483 -2.153 1.00 23.51 C ATOM 345 C ILE A 23 22.505 0.317 -3.589 1.00 10.11 C ATOM 346 O ILE A 23 23.369 -0.512 -3.871 1.00 24.11 O ATOM 347 CB ILE A 23 20.525 0.115 -2.083 1.00 23.14 C ATOM 348 CG1 ILE A 23 20.062 0.050 -0.626 1.00 14.40 C ATOM 349 CG2 ILE A 23 20.273 -1.211 -2.784 1.00 34.31 C ATOM 350 CD1 ILE A 23 20.719 -1.056 0.169 1.00 1.20 C ATOM 0 H ILE A 23 22.210 2.557 -2.391 1.00 60.02 H new ATOM 0 HA ILE A 23 22.581 -0.187 -1.502 1.00 23.51 H new ATOM 0 HB ILE A 23 19.951 0.888 -2.593 1.00 23.14 H new ATOM 0 HG12 ILE A 23 20.270 1.005 -0.144 1.00 14.40 H new ATOM 0 HG13 ILE A 23 18.981 -0.090 -0.603 1.00 14.40 H new ATOM 0 HG21 ILE A 23 19.213 -1.457 -2.726 1.00 34.31 H new ATOM 0 HG22 ILE A 23 20.571 -1.132 -3.830 1.00 34.31 H new ATOM 0 HG23 ILE A 23 20.855 -1.995 -2.299 1.00 34.31 H new ATOM 0 HD11 ILE A 23 20.343 -1.042 1.192 1.00 1.20 H new ATOM 0 HD12 ILE A 23 20.490 -2.018 -0.288 1.00 1.20 H new ATOM 0 HD13 ILE A 23 21.799 -0.906 0.177 1.00 1.20 H new ATOM 362 N ALA A 24 21.944 1.113 -4.493 1.00 10.51 N ATOM 363 CA ALA A 24 22.323 1.058 -5.899 1.00 55.35 C ATOM 364 C ALA A 24 21.804 2.277 -6.656 1.00 34.52 C ATOM 365 O ALA A 24 20.973 2.170 -7.558 1.00 73.40 O ATOM 366 CB ALA A 24 21.802 -0.222 -6.536 1.00 41.22 C ATOM 0 H ALA A 24 21.225 1.804 -4.277 1.00 10.51 H new ATOM 0 HA ALA A 24 23.411 1.063 -5.957 1.00 55.35 H new ATOM 0 HB1 ALA A 24 22.092 -0.250 -7.586 1.00 41.22 H new ATOM 0 HB2 ALA A 24 22.225 -1.084 -6.020 1.00 41.22 H new ATOM 0 HB3 ALA A 24 20.715 -0.250 -6.459 1.00 41.22 H new