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 0.371 7.489 -0.335 1.00 3.04 N ATOM 116 CA GLU A 7 1.116 6.276 -0.017 1.00 3.42 C ATOM 117 C GLU A 7 2.317 6.116 -0.945 1.00 51.51 C ATOM 118 O GLU A 7 3.357 5.591 -0.547 1.00 74.34 O ATOM 119 CB GLU A 7 0.208 5.050 -0.124 1.00 54.14 C ATOM 120 CG GLU A 7 -0.155 4.441 1.220 1.00 44.13 C ATOM 121 CD GLU A 7 -1.599 3.984 1.283 1.00 51.20 C ATOM 122 OE1 GLU A 7 -2.012 3.198 0.406 1.00 72.34 O ATOM 123 OE2 GLU A 7 -2.316 4.414 2.211 1.00 73.40 O ATOM 0 HA GLU A 7 1.479 6.362 1.007 1.00 3.42 H new ATOM 0 HB2 GLU A 7 -0.707 5.331 -0.645 1.00 54.14 H new ATOM 0 HB3 GLU A 7 0.703 4.294 -0.734 1.00 54.14 H new ATOM 0 HG2 GLU A 7 0.500 3.592 1.419 1.00 44.13 H new ATOM 0 HG3 GLU A 7 0.025 5.173 2.007 1.00 44.13 H new ATOM 130 N ARG A 8 2.165 6.573 -2.184 1.00 14.43 N ATOM 131 CA ARG A 8 3.235 6.480 -3.170 1.00 34.35 C ATOM 132 C ARG A 8 4.351 7.472 -2.856 1.00 20.40 C ATOM 133 O ARG A 8 5.491 7.295 -3.285 1.00 43.11 O ATOM 134 CB ARG A 8 2.687 6.739 -4.574 1.00 41.12 C ATOM 135 CG ARG A 8 3.736 6.623 -5.668 1.00 2.21 C ATOM 136 CD ARG A 8 3.355 5.569 -6.696 1.00 3.32 C ATOM 137 NE ARG A 8 4.219 5.615 -7.873 1.00 0.15 N ATOM 138 CZ ARG A 8 4.226 4.680 -8.816 1.00 25.45 C ATOM 139 NH1 ARG A 8 3.420 3.631 -8.720 1.00 43.34 N ATOM 140 NH2 ARG A 8 5.041 4.792 -9.857 1.00 23.12 N ATOM 0 H ARG A 8 1.311 7.011 -2.529 1.00 14.43 H new ATOM 0 HA ARG A 8 3.647 5.472 -3.129 1.00 34.35 H new ATOM 0 HB2 ARG A 8 1.883 6.032 -4.777 1.00 41.12 H new ATOM 0 HB3 ARG A 8 2.250 7.737 -4.606 1.00 41.12 H new ATOM 0 HG2 ARG A 8 3.857 7.587 -6.162 1.00 2.21 H new ATOM 0 HG3 ARG A 8 4.699 6.369 -5.225 1.00 2.21 H new ATOM 0 HD2 ARG A 8 3.415 4.580 -6.241 1.00 3.32 H new ATOM 0 HD3 ARG A 8 2.319 5.718 -7.001 1.00 3.32 H new ATOM 0 HE ARG A 8 4.851 6.409 -7.976 1.00 0.15 H new ATOM 0 HH11 ARG A 8 2.793 3.541 -7.921 1.00 43.34 H new ATOM 0 HH12 ARG A 8 3.427 2.914 -9.446 1.00 43.34 H new ATOM 0 HH21 ARG A 8 5.663 5.597 -9.933 1.00 23.12 H new ATOM 0 HH22 ARG A 8 5.046 4.073 -10.581 1.00 23.12 H new ATOM 154 N VAL A 9 4.014 8.516 -2.105 1.00 65.41 N ATOM 155 CA VAL A 9 4.988 9.535 -1.733 1.00 51.55 C ATOM 156 C VAL A 9 5.722 9.154 -0.453 1.00 31.11 C ATOM 157 O VAL A 9 6.781 9.700 -0.146 1.00 41.13 O ATOM 158 CB VAL A 9 4.316 10.908 -1.538 1.00 22.32 C ATOM 159 CG1 VAL A 9 5.340 11.947 -1.108 1.00 41.20 C ATOM 160 CG2 VAL A 9 3.608 11.340 -2.813 1.00 12.34 C ATOM 0 H VAL A 9 3.074 8.678 -1.743 1.00 65.41 H new ATOM 0 HA VAL A 9 5.704 9.602 -2.552 1.00 51.55 H new ATOM 0 HB VAL A 9 3.570 10.820 -0.748 1.00 22.32 H new ATOM 0 HG11 VAL A 9 4.847 12.910 -0.975 1.00 41.20 H new ATOM 0 HG12 VAL A 9 5.797 11.640 -0.167 1.00 41.20 H new ATOM 0 HG13 VAL A 9 6.111 12.036 -1.873 1.00 41.20 H new ATOM 0 HG21 VAL A 9 3.139 12.312 -2.657 1.00 12.34 H new ATOM 0 HG22 VAL A 9 4.332 11.412 -3.625 1.00 12.34 H new ATOM 0 HG23 VAL A 9 2.845 10.606 -3.072 1.00 12.34 H new ATOM 170 N ALA A 10 5.151 8.212 0.291 1.00 4.13 N ATOM 171 CA ALA A 10 5.753 7.755 1.538 1.00 53.10 C ATOM 172 C ALA A 10 6.399 6.385 1.366 1.00 60.32 C ATOM 173 O ALA A 10 7.300 6.013 2.119 1.00 32.51 O ATOM 174 CB ALA A 10 4.708 7.713 2.643 1.00 21.04 C ATOM 0 H ALA A 10 4.273 7.751 0.052 1.00 4.13 H new ATOM 0 HA ALA A 10 6.534 8.463 1.817 1.00 53.10 H new ATOM 0 HB1 ALA A 10 5.171 7.370 3.568 1.00 21.04 H new ATOM 0 HB2 ALA A 10 4.295 8.711 2.792 1.00 21.04 H new ATOM 0 HB3 ALA A 10 3.908 7.028 2.362 1.00 21.04 H new ATOM 180 N LEU A 11 5.934 5.637 0.371 1.00 52.31 N ATOM 181 CA LEU A 11 6.466 4.306 0.100 1.00 5.50 C ATOM 182 C LEU A 11 7.690 4.384 -0.808 1.00 31.04 C ATOM 183 O LEU A 11 8.520 3.475 -0.827 1.00 71.23 O ATOM 184 CB LEU A 11 5.393 3.428 -0.545 1.00 64.22 C ATOM 185 CG LEU A 11 4.323 2.874 0.397 1.00 45.34 C ATOM 186 CD1 LEU A 11 3.294 2.069 -0.380 1.00 72.51 C ATOM 187 CD2 LEU A 11 4.960 2.022 1.485 1.00 41.13 C ATOM 0 H LEU A 11 5.189 5.930 -0.262 1.00 52.31 H new ATOM 0 HA LEU A 11 6.768 3.862 1.048 1.00 5.50 H new ATOM 0 HB2 LEU A 11 4.898 4.008 -1.324 1.00 64.22 H new ATOM 0 HB3 LEU A 11 5.886 2.589 -1.036 1.00 64.22 H new ATOM 0 HG LEU A 11 3.814 3.713 0.872 1.00 45.34 H new ATOM 0 HD11 LEU A 11 2.541 1.683 0.306 1.00 72.51 H new ATOM 0 HD12 LEU A 11 2.815 2.709 -1.121 1.00 72.51 H new ATOM 0 HD13 LEU A 11 3.787 1.237 -0.883 1.00 72.51 H new ATOM 0 HD21 LEU A 11 4.184 1.636 2.146 1.00 41.13 H new ATOM 0 HD22 LEU A 11 5.495 1.189 1.029 1.00 41.13 H new ATOM 0 HD23 LEU A 11 5.658 2.630 2.061 1.00 41.13 H new ATOM 199 N PHE A 12 7.796 5.477 -1.557 1.00 22.53 N ATOM 200 CA PHE A 12 8.919 5.674 -2.466 1.00 22.22 C ATOM 201 C PHE A 12 10.021 6.493 -1.800 1.00 31.12 C ATOM 202 O PHE A 12 11.192 6.389 -2.162 1.00 10.11 O ATOM 203 CB PHE A 12 8.451 6.372 -3.744 1.00 61.14 C ATOM 204 CG PHE A 12 7.736 5.459 -4.699 1.00 20.33 C ATOM 205 CD1 PHE A 12 6.572 4.811 -4.318 1.00 31.05 C ATOM 206 CD2 PHE A 12 8.227 5.248 -5.977 1.00 5.41 C ATOM 207 CE1 PHE A 12 5.913 3.970 -5.193 1.00 75.55 C ATOM 208 CE2 PHE A 12 7.572 4.408 -6.857 1.00 41.34 C ATOM 209 CZ PHE A 12 6.412 3.769 -6.465 1.00 65.13 C ATOM 0 H PHE A 12 7.118 6.239 -1.552 1.00 22.53 H new ATOM 0 HA PHE A 12 9.323 4.695 -2.722 1.00 22.22 H new ATOM 0 HB2 PHE A 12 7.789 7.196 -3.477 1.00 61.14 H new ATOM 0 HB3 PHE A 12 9.314 6.807 -4.248 1.00 61.14 H new ATOM 0 HD1 PHE A 12 6.176 4.965 -3.325 1.00 31.05 H new ATOM 0 HD2 PHE A 12 9.133 5.746 -6.289 1.00 5.41 H new ATOM 0 HE1 PHE A 12 5.008 3.470 -4.883 1.00 75.55 H new ATOM 0 HE2 PHE A 12 7.967 4.251 -7.850 1.00 41.34 H new ATOM 0 HZ PHE A 12 5.896 3.114 -7.151 1.00 65.13 H new ATOM 219 N GLY A 13 9.635 7.309 -0.823 1.00 64.21 N ATOM 220 CA GLY A 13 10.601 8.135 -0.122 1.00 60.30 C ATOM 221 C GLY A 13 11.198 7.433 1.082 1.00 43.43 C ATOM 222 O GLY A 13 12.151 7.925 1.686 1.00 3.03 O ATOM 0 H GLY A 13 8.671 7.413 -0.505 1.00 64.21 H new ATOM 0 HA2 GLY A 13 11.400 8.416 -0.808 1.00 60.30 H new ATOM 0 HA3 GLY A 13 10.119 9.058 0.201 1.00 60.30 H new ATOM 226 N VAL A 14 10.636 6.281 1.433 1.00 61.04 N ATOM 227 CA VAL A 14 11.119 5.511 2.573 1.00 74.23 C ATOM 228 C VAL A 14 11.687 4.168 2.128 1.00 71.12 C ATOM 229 O VAL A 14 12.462 3.539 2.850 1.00 12.30 O ATOM 230 CB VAL A 14 9.997 5.266 3.600 1.00 42.41 C ATOM 231 CG1 VAL A 14 10.526 4.483 4.792 1.00 41.13 C ATOM 232 CG2 VAL A 14 9.388 6.587 4.047 1.00 31.40 C ATOM 0 H VAL A 14 9.846 5.860 0.944 1.00 61.04 H new ATOM 0 HA VAL A 14 11.908 6.099 3.041 1.00 74.23 H new ATOM 0 HB VAL A 14 9.215 4.673 3.125 1.00 42.41 H new ATOM 0 HG11 VAL A 14 9.720 4.319 5.507 1.00 41.13 H new ATOM 0 HG12 VAL A 14 10.911 3.521 4.453 1.00 41.13 H new ATOM 0 HG13 VAL A 14 11.327 5.046 5.271 1.00 41.13 H new ATOM 0 HG21 VAL A 14 8.597 6.396 4.772 1.00 31.40 H new ATOM 0 HG22 VAL A 14 10.159 7.206 4.505 1.00 31.40 H new ATOM 0 HG23 VAL A 14 8.971 7.106 3.184 1.00 31.40 H new ATOM 242 N LEU A 15 11.298 3.733 0.934 1.00 15.35 N ATOM 243 CA LEU A 15 11.769 2.464 0.391 1.00 34.15 C ATOM 244 C LEU A 15 12.701 2.691 -0.794 1.00 50.31 C ATOM 245 O LEU A 15 13.510 1.830 -1.135 1.00 22.52 O ATOM 246 CB LEU A 15 10.582 1.598 -0.037 1.00 4.14 C ATOM 247 CG LEU A 15 10.691 0.106 0.280 1.00 4.23 C ATOM 248 CD1 LEU A 15 11.886 -0.506 -0.435 1.00 1.53 C ATOM 249 CD2 LEU A 15 10.797 -0.114 1.782 1.00 15.44 C ATOM 0 H LEU A 15 10.658 4.241 0.324 1.00 15.35 H new ATOM 0 HA LEU A 15 12.325 1.947 1.173 1.00 34.15 H new ATOM 0 HB2 LEU A 15 9.683 1.986 0.442 1.00 4.14 H new ATOM 0 HB3 LEU A 15 10.444 1.711 -1.112 1.00 4.14 H new ATOM 0 HG LEU A 15 9.787 -0.388 -0.077 1.00 4.23 H new ATOM 0 HD11 LEU A 15 11.947 -1.568 -0.197 1.00 1.53 H new ATOM 0 HD12 LEU A 15 11.769 -0.381 -1.511 1.00 1.53 H new ATOM 0 HD13 LEU A 15 12.799 -0.008 -0.109 1.00 1.53 H new ATOM 0 HD21 LEU A 15 10.874 -1.181 1.989 1.00 15.44 H new ATOM 0 HD22 LEU A 15 11.683 0.394 2.162 1.00 15.44 H new ATOM 0 HD23 LEU A 15 9.910 0.288 2.272 1.00 15.44 H new ATOM 261 N GLY A 16 12.583 3.859 -1.418 1.00 54.43 N ATOM 262 CA GLY A 16 13.422 4.180 -2.558 1.00 2.24 C ATOM 263 C GLY A 16 14.333 5.362 -2.292 1.00 51.41 C ATOM 264 O GLY A 16 14.852 5.976 -3.224 1.00 13.41 O ATOM 0 H GLY A 16 11.921 4.589 -1.154 1.00 54.43 H new ATOM 0 HA2 GLY A 16 14.026 3.311 -2.817 1.00 2.24 H new ATOM 0 HA3 GLY A 16 12.791 4.398 -3.420 1.00 2.24 H new ATOM 268 N ALA A 17 14.527 5.683 -1.017 1.00 53.51 N ATOM 269 CA ALA A 17 15.381 6.800 -0.632 1.00 20.22 C ATOM 270 C ALA A 17 16.532 6.331 0.252 1.00 32.11 C ATOM 271 O ALA A 17 17.626 6.892 0.212 1.00 0.54 O ATOM 272 CB ALA A 17 14.565 7.867 0.083 1.00 70.22 C ATOM 0 H ALA A 17 14.104 5.185 -0.233 1.00 53.51 H new ATOM 0 HA ALA A 17 15.805 7.230 -1.539 1.00 20.22 H new ATOM 0 HB1 ALA A 17 15.216 8.695 0.365 1.00 70.22 H new ATOM 0 HB2 ALA A 17 13.781 8.231 -0.581 1.00 70.22 H new ATOM 0 HB3 ALA A 17 14.113 7.440 0.978 1.00 70.22 H new ATOM 278 N ALA A 18 16.277 5.299 1.050 1.00 74.24 N ATOM 279 CA ALA A 18 17.292 4.754 1.942 1.00 31.13 C ATOM 280 C ALA A 18 17.864 3.451 1.393 1.00 13.32 C ATOM 281 O ALA A 18 18.823 2.903 1.939 1.00 53.53 O ATOM 282 CB ALA A 18 16.710 4.533 3.331 1.00 44.41 C ATOM 0 H ALA A 18 15.376 4.824 1.097 1.00 74.24 H new ATOM 0 HA ALA A 18 18.105 5.477 2.011 1.00 31.13 H new ATOM 0 HB1 ALA A 18 17.479 4.126 3.987 1.00 44.41 H new ATOM 0 HB2 ALA A 18 16.356 5.483 3.733 1.00 44.41 H new ATOM 0 HB3 ALA A 18 15.877 3.832 3.269 1.00 44.41 H new ATOM 288 N LEU A 19 17.270 2.959 0.312 1.00 55.33 N ATOM 289 CA LEU A 19 17.720 1.719 -0.311 1.00 54.54 C ATOM 290 C LEU A 19 18.236 1.976 -1.723 1.00 65.04 C ATOM 291 O LEU A 19 18.509 1.039 -2.475 1.00 11.32 O ATOM 292 CB LEU A 19 16.578 0.702 -0.351 1.00 23.22 C ATOM 293 CG LEU A 19 16.898 -0.687 0.202 1.00 64.50 C ATOM 294 CD1 LEU A 19 15.769 -1.180 1.094 1.00 62.44 C ATOM 295 CD2 LEU A 19 17.150 -1.668 -0.934 1.00 25.32 C ATOM 0 H LEU A 19 16.475 3.400 -0.152 1.00 55.33 H new ATOM 0 HA LEU A 19 18.537 1.316 0.287 1.00 54.54 H new ATOM 0 HB2 LEU A 19 15.736 1.109 0.209 1.00 23.22 H new ATOM 0 HB3 LEU A 19 16.251 0.593 -1.385 1.00 23.22 H new ATOM 0 HG LEU A 19 17.804 -0.618 0.804 1.00 64.50 H new ATOM 0 HD11 LEU A 19 16.015 -2.170 1.478 1.00 62.44 H new ATOM 0 HD12 LEU A 19 15.636 -0.490 1.927 1.00 62.44 H new ATOM 0 HD13 LEU A 19 14.846 -1.234 0.517 1.00 62.44 H new ATOM 0 HD21 LEU A 19 17.376 -2.651 -0.522 1.00 25.32 H new ATOM 0 HD22 LEU A 19 16.262 -1.733 -1.562 1.00 25.32 H new ATOM 0 HD23 LEU A 19 17.993 -1.323 -1.533 1.00 25.32 H new ATOM 307 N ILE A 20 18.371 3.250 -2.076 1.00 72.13 N ATOM 308 CA ILE A 20 18.858 3.629 -3.397 1.00 23.04 C ATOM 309 C ILE A 20 20.204 4.340 -3.302 1.00 52.35 C ATOM 310 O ILE A 20 20.586 5.089 -4.201 1.00 24.41 O ATOM 311 CB ILE A 20 17.856 4.544 -4.125 1.00 64.03 C ATOM 312 CG1 ILE A 20 18.158 4.575 -5.625 1.00 70.30 C ATOM 313 CG2 ILE A 20 17.900 5.948 -3.542 1.00 3.32 C ATOM 314 CD1 ILE A 20 16.973 4.986 -6.471 1.00 65.12 C ATOM 0 H ILE A 20 18.150 4.037 -1.466 1.00 72.13 H new ATOM 0 HA ILE A 20 18.976 2.708 -3.967 1.00 23.04 H new ATOM 0 HB ILE A 20 16.852 4.144 -3.983 1.00 64.03 H new ATOM 0 HG12 ILE A 20 18.981 5.265 -5.808 1.00 70.30 H new ATOM 0 HG13 ILE A 20 18.494 3.587 -5.940 1.00 70.30 H new ATOM 0 HG21 ILE A 20 17.186 6.583 -4.067 1.00 3.32 H new ATOM 0 HG22 ILE A 20 17.642 5.911 -2.484 1.00 3.32 H new ATOM 0 HG23 ILE A 20 18.903 6.358 -3.657 1.00 3.32 H new ATOM 0 HD11 ILE A 20 17.259 4.986 -7.523 1.00 65.12 H new ATOM 0 HD12 ILE A 20 16.155 4.282 -6.318 1.00 65.12 H new ATOM 0 HD13 ILE A 20 16.650 5.986 -6.183 1.00 65.12 H new ATOM 326 N GLY A 21 20.919 4.100 -2.208 1.00 21.33 N ATOM 327 CA GLY A 21 22.216 4.723 -2.017 1.00 15.53 C ATOM 328 C GLY A 21 23.275 3.734 -1.573 1.00 11.54 C ATOM 329 O GLY A 21 24.354 3.664 -2.161 1.00 14.32 O ATOM 0 H GLY A 21 20.623 3.485 -1.450 1.00 21.33 H new ATOM 0 HA2 GLY A 21 22.530 5.193 -2.949 1.00 15.53 H new ATOM 0 HA3 GLY A 21 22.129 5.515 -1.274 1.00 15.53 H new ATOM 333 N ALA A 22 22.968 2.969 -0.530 1.00 40.14 N ATOM 334 CA ALA A 22 23.902 1.979 -0.008 1.00 51.31 C ATOM 335 C ALA A 22 23.513 0.572 -0.448 1.00 44.04 C ATOM 336 O ALA A 22 23.841 -0.410 0.219 1.00 15.42 O ATOM 337 CB ALA A 22 23.964 2.061 1.510 1.00 54.41 C ATOM 0 H ALA A 22 22.080 3.016 -0.030 1.00 40.14 H new ATOM 0 HA ALA A 22 24.890 2.198 -0.413 1.00 51.31 H new ATOM 0 HB1 ALA A 22 24.665 1.316 1.886 1.00 54.41 H new ATOM 0 HB2 ALA A 22 24.297 3.055 1.807 1.00 54.41 H new ATOM 0 HB3 ALA A 22 22.974 1.870 1.925 1.00 54.41 H new ATOM 343 N ILE A 23 22.814 0.481 -1.574 1.00 51.44 N ATOM 344 CA ILE A 23 22.382 -0.806 -2.103 1.00 34.40 C ATOM 345 C ILE A 23 22.621 -0.892 -3.607 1.00 14.43 C ATOM 346 O ILE A 23 23.476 -1.646 -4.068 1.00 24.24 O ATOM 347 CB ILE A 23 20.890 -1.060 -1.816 1.00 71.54 C ATOM 348 CG1 ILE A 23 20.577 -0.785 -0.344 1.00 71.51 C ATOM 349 CG2 ILE A 23 20.515 -2.488 -2.185 1.00 63.15 C ATOM 350 CD1 ILE A 23 21.286 -1.722 0.609 1.00 14.14 C ATOM 0 H ILE A 23 22.535 1.284 -2.138 1.00 51.44 H new ATOM 0 HA ILE A 23 22.976 -1.569 -1.600 1.00 34.40 H new ATOM 0 HB ILE A 23 20.297 -0.380 -2.427 1.00 71.54 H new ATOM 0 HG12 ILE A 23 20.857 0.242 -0.107 1.00 71.51 H new ATOM 0 HG13 ILE A 23 19.501 -0.866 -0.188 1.00 71.51 H new ATOM 0 HG21 ILE A 23 19.458 -2.652 -1.976 1.00 63.15 H new ATOM 0 HG22 ILE A 23 20.705 -2.652 -3.246 1.00 63.15 H new ATOM 0 HG23 ILE A 23 21.113 -3.185 -1.597 1.00 63.15 H new ATOM 0 HD11 ILE A 23 21.018 -1.469 1.635 1.00 14.14 H new ATOM 0 HD12 ILE A 23 20.988 -2.749 0.399 1.00 14.14 H new ATOM 0 HD13 ILE A 23 22.364 -1.624 0.481 1.00 14.14 H new ATOM 362 N ALA A 24 21.859 -0.111 -4.366 1.00 61.14 N ATOM 363 CA ALA A 24 21.991 -0.095 -5.818 1.00 75.20 C ATOM 364 C ALA A 24 21.600 1.263 -6.390 1.00 12.42 C ATOM 365 O ALA A 24 20.592 1.406 -7.082 1.00 34.10 O ATOM 366 CB ALA A 24 21.140 -1.195 -6.437 1.00 3.21 C ATOM 0 H ALA A 24 21.145 0.518 -4.000 1.00 61.14 H new ATOM 0 HA ALA A 24 23.037 -0.276 -6.065 1.00 75.20 H new ATOM 0 HB1 ALA A 24 21.248 -1.172 -7.521 1.00 3.21 H new ATOM 0 HB2 ALA A 24 21.468 -2.164 -6.060 1.00 3.21 H new ATOM 0 HB3 ALA A 24 20.094 -1.038 -6.173 1.00 3.21 H new