USER MOD reduce.3.24.130724 H: found=0, std=0, add=117, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 117 hydrogens (0 hets) ATOM 13 N PRO A 2 3.703 -0.939 -1.890 1.00 21.10 N ATOM 14 CA PRO A 2 5.149 -1.163 -1.791 1.00 55.43 C ATOM 15 C PRO A 2 5.937 0.142 -1.771 1.00 11.42 C ATOM 16 O PRO A 2 7.095 0.173 -1.353 1.00 74.31 O ATOM 17 CB PRO A 2 5.471 -1.962 -3.056 1.00 70.30 C ATOM 18 CG PRO A 2 4.399 -1.592 -4.022 1.00 32.21 C ATOM 19 CD PRO A 2 3.165 -1.350 -3.198 1.00 13.44 C ATOM 0 HA PRO A 2 5.420 -1.673 -0.867 1.00 55.43 H new ATOM 0 HB2 PRO A 2 6.458 -1.709 -3.444 1.00 70.30 H new ATOM 0 HB3 PRO A 2 5.472 -3.034 -2.858 1.00 70.30 H new ATOM 0 HG2 PRO A 2 4.673 -0.700 -4.586 1.00 32.21 H new ATOM 0 HG3 PRO A 2 4.234 -2.389 -4.747 1.00 32.21 H new ATOM 0 HD2 PRO A 2 2.536 -0.575 -3.635 1.00 13.44 H new ATOM 0 HD3 PRO A 2 2.554 -2.249 -3.117 1.00 13.44 H new ATOM 27 N ARG A 3 5.303 1.219 -2.224 1.00 35.21 N ATOM 28 CA ARG A 3 5.946 2.527 -2.258 1.00 35.21 C ATOM 29 C ARG A 3 5.702 3.286 -0.957 1.00 42.30 C ATOM 30 O ARG A 3 6.226 4.383 -0.760 1.00 24.01 O ATOM 31 CB ARG A 3 5.426 3.343 -3.443 1.00 10.44 C ATOM 32 CG ARG A 3 5.671 2.685 -4.790 1.00 41.14 C ATOM 33 CD ARG A 3 6.642 3.494 -5.637 1.00 72.40 C ATOM 34 NE ARG A 3 7.933 3.665 -4.976 1.00 60.54 N ATOM 35 CZ ARG A 3 9.041 4.031 -5.612 1.00 33.53 C ATOM 36 NH1 ARG A 3 9.014 4.263 -6.917 1.00 4.23 N ATOM 37 NH2 ARG A 3 10.178 4.165 -4.941 1.00 51.02 N ATOM 0 H ARG A 3 4.344 1.211 -2.573 1.00 35.21 H new ATOM 0 HA ARG A 3 7.019 2.375 -2.374 1.00 35.21 H new ATOM 0 HB2 ARG A 3 4.356 3.508 -3.318 1.00 10.44 H new ATOM 0 HB3 ARG A 3 5.902 4.323 -3.435 1.00 10.44 H new ATOM 0 HG2 ARG A 3 6.067 1.681 -4.639 1.00 41.14 H new ATOM 0 HG3 ARG A 3 4.725 2.578 -5.321 1.00 41.14 H new ATOM 0 HD2 ARG A 3 6.789 2.996 -6.596 1.00 72.40 H new ATOM 0 HD3 ARG A 3 6.211 4.472 -5.848 1.00 72.40 H new ATOM 0 HE ARG A 3 7.987 3.494 -3.972 1.00 60.54 H new ATOM 0 HH11 ARG A 3 8.141 4.161 -7.435 1.00 4.23 H new ATOM 0 HH12 ARG A 3 9.866 4.544 -7.403 1.00 4.23 H new ATOM 0 HH21 ARG A 3 10.202 3.987 -3.937 1.00 51.02 H new ATOM 0 HH22 ARG A 3 11.028 4.446 -5.429 1.00 51.02 H new ATOM 51 N ILE A 4 4.904 2.696 -0.074 1.00 1.02 N ATOM 52 CA ILE A 4 4.592 3.317 1.208 1.00 62.34 C ATOM 53 C ILE A 4 5.444 2.726 2.326 1.00 2.52 C ATOM 54 O ILE A 4 5.695 3.379 3.339 1.00 21.41 O ATOM 55 CB ILE A 4 3.104 3.148 1.567 1.00 3.24 C ATOM 56 CG1 ILE A 4 2.225 3.874 0.547 1.00 71.42 C ATOM 57 CG2 ILE A 4 2.836 3.670 2.971 1.00 24.12 C ATOM 58 CD1 ILE A 4 2.446 5.370 0.514 1.00 60.42 C ATOM 0 H ILE A 4 4.462 1.789 -0.222 1.00 1.02 H new ATOM 0 HA ILE A 4 4.815 4.379 1.108 1.00 62.34 H new ATOM 0 HB ILE A 4 2.857 2.087 1.541 1.00 3.24 H new ATOM 0 HG12 ILE A 4 2.419 3.464 -0.444 1.00 71.42 H new ATOM 0 HG13 ILE A 4 1.178 3.675 0.775 1.00 71.42 H new ATOM 0 HG21 ILE A 4 1.780 3.544 3.211 1.00 24.12 H new ATOM 0 HG22 ILE A 4 3.440 3.113 3.688 1.00 24.12 H new ATOM 0 HG23 ILE A 4 3.096 4.727 3.022 1.00 24.12 H new ATOM 0 HD11 ILE A 4 1.789 5.818 -0.232 1.00 60.42 H new ATOM 0 HD12 ILE A 4 2.224 5.792 1.494 1.00 60.42 H new ATOM 0 HD13 ILE A 4 3.484 5.579 0.256 1.00 60.42 H new ATOM 70 N ALA A 5 5.888 1.488 2.134 1.00 12.53 N ATOM 71 CA ALA A 5 6.715 0.811 3.125 1.00 42.30 C ATOM 72 C ALA A 5 8.181 1.204 2.977 1.00 1.41 C ATOM 73 O ALA A 5 8.926 1.238 3.956 1.00 63.42 O ATOM 74 CB ALA A 5 6.556 -0.697 3.003 1.00 3.02 C ATOM 0 H ALA A 5 5.689 0.934 1.301 1.00 12.53 H new ATOM 0 HA ALA A 5 6.381 1.122 4.115 1.00 42.30 H new ATOM 0 HB1 ALA A 5 7.179 -1.190 3.749 1.00 3.02 H new ATOM 0 HB2 ALA A 5 5.513 -0.967 3.166 1.00 3.02 H new ATOM 0 HB3 ALA A 5 6.862 -1.016 2.007 1.00 3.02 H new ATOM 80 N ALA A 6 8.588 1.501 1.747 1.00 23.12 N ATOM 81 CA ALA A 6 9.965 1.893 1.472 1.00 71.10 C ATOM 82 C ALA A 6 10.361 3.117 2.291 1.00 64.40 C ATOM 83 O ALA A 6 11.542 3.341 2.557 1.00 23.24 O ATOM 84 CB ALA A 6 10.149 2.167 -0.013 1.00 54.33 C ATOM 0 H ALA A 6 7.984 1.478 0.925 1.00 23.12 H new ATOM 0 HA ALA A 6 10.616 1.068 1.761 1.00 71.10 H new ATOM 0 HB1 ALA A 6 11.182 2.459 -0.204 1.00 54.33 H new ATOM 0 HB2 ALA A 6 9.915 1.266 -0.581 1.00 54.33 H new ATOM 0 HB3 ALA A 6 9.482 2.973 -0.320 1.00 54.33 H new ATOM 90 N ARG A 7 9.368 3.905 2.687 1.00 53.32 N ATOM 91 CA ARG A 7 9.614 5.108 3.474 1.00 73.41 C ATOM 92 C ARG A 7 9.452 4.824 4.964 1.00 13.15 C ATOM 93 O ARG A 7 10.025 5.517 5.804 1.00 31.44 O ATOM 94 CB ARG A 7 8.659 6.225 3.050 1.00 72.14 C ATOM 95 CG ARG A 7 9.364 7.447 2.484 1.00 21.31 C ATOM 96 CD ARG A 7 8.440 8.654 2.443 1.00 4.13 C ATOM 97 NE ARG A 7 8.225 9.133 1.080 1.00 21.25 N ATOM 98 CZ ARG A 7 9.088 9.902 0.427 1.00 44.12 C ATOM 99 NH1 ARG A 7 10.219 10.278 1.008 1.00 23.53 N ATOM 100 NH2 ARG A 7 8.822 10.297 -0.811 1.00 55.25 N ATOM 0 H ARG A 7 8.385 3.733 2.476 1.00 53.32 H new ATOM 0 HA ARG A 7 10.640 5.428 3.292 1.00 73.41 H new ATOM 0 HB2 ARG A 7 7.968 5.836 2.302 1.00 72.14 H new ATOM 0 HB3 ARG A 7 8.062 6.527 3.910 1.00 72.14 H new ATOM 0 HG2 ARG A 7 10.239 7.678 3.092 1.00 21.31 H new ATOM 0 HG3 ARG A 7 9.723 7.228 1.478 1.00 21.31 H new ATOM 0 HD2 ARG A 7 7.481 8.392 2.891 1.00 4.13 H new ATOM 0 HD3 ARG A 7 8.865 9.456 3.046 1.00 4.13 H new ATOM 0 HE ARG A 7 7.365 8.862 0.604 1.00 21.25 H new ATOM 0 HH11 ARG A 7 10.428 9.976 1.960 1.00 23.53 H new ATOM 0 HH12 ARG A 7 10.880 10.869 0.503 1.00 23.53 H new ATOM 0 HH21 ARG A 7 7.954 10.010 -1.262 1.00 55.25 H new ATOM 0 HH22 ARG A 7 9.486 10.888 -1.312 1.00 55.25 H new ATOM 114 N GLY A 8 8.666 3.801 5.285 1.00 33.32 N ATOM 115 CA GLY A 8 8.442 3.444 6.674 1.00 13.20 C ATOM 116 C GLY A 8 9.682 2.875 7.334 1.00 42.41 C ATOM 117 O GLY A 8 9.878 3.030 8.539 1.00 4.04 O ATOM 0 H GLY A 8 8.180 3.213 4.608 1.00 33.32 H new ATOM 0 HA2 GLY A 8 8.114 4.326 7.224 1.00 13.20 H new ATOM 0 HA3 GLY A 8 7.635 2.713 6.732 1.00 13.20 H new ATOM 121 N ARG A 9 10.521 2.214 6.543 1.00 11.20 N ATOM 122 CA ARG A 9 11.747 1.618 7.058 1.00 23.35 C ATOM 123 C ARG A 9 12.833 2.675 7.236 1.00 62.23 C ATOM 124 O ARG A 9 13.678 2.568 8.124 1.00 65.33 O ATOM 125 CB ARG A 9 12.240 0.518 6.116 1.00 0.00 C ATOM 126 CG ARG A 9 13.414 -0.275 6.667 1.00 72.33 C ATOM 127 CD ARG A 9 13.413 -1.704 6.147 1.00 31.53 C ATOM 128 NE ARG A 9 13.768 -2.665 7.188 1.00 22.32 N ATOM 129 CZ ARG A 9 14.202 -3.895 6.936 1.00 63.22 C ATOM 130 NH1 ARG A 9 14.334 -4.311 5.684 1.00 63.31 N ATOM 131 NH2 ARG A 9 14.506 -4.711 7.937 1.00 32.40 N ATOM 0 H ARG A 9 10.374 2.078 5.543 1.00 11.20 H new ATOM 0 HA ARG A 9 11.527 1.181 8.032 1.00 23.35 H new ATOM 0 HB2 ARG A 9 11.417 -0.165 5.907 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.530 0.968 5.166 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.348 0.214 6.389 1.00 72.33 H new ATOM 0 HG3 ARG A 9 13.370 -0.283 7.756 1.00 72.33 H new ATOM 0 HD2 ARG A 9 12.426 -1.945 5.752 1.00 31.53 H new ATOM 0 HD3 ARG A 9 14.117 -1.789 5.319 1.00 31.53 H new ATOM 0 HE ARG A 9 13.678 -2.376 8.162 1.00 22.32 H new ATOM 0 HH11 ARG A 9 14.102 -3.686 4.912 1.00 63.31 H new ATOM 0 HH12 ARG A 9 14.667 -5.256 5.493 1.00 63.31 H new ATOM 0 HH21 ARG A 9 14.407 -4.394 8.901 1.00 32.40 H new ATOM 0 HH22 ARG A 9 14.839 -5.655 7.742 1.00 32.40 H new ATOM 145 N ALA A 10 12.804 3.695 6.384 1.00 34.32 N ATOM 146 CA ALA A 10 13.784 4.772 6.448 1.00 72.44 C ATOM 147 C ALA A 10 13.806 5.413 7.831 1.00 52.22 C ATOM 148 O ALA A 10 14.866 5.780 8.338 1.00 14.43 O ATOM 149 CB ALA A 10 13.488 5.818 5.383 1.00 23.30 C ATOM 0 H ALA A 10 12.112 3.798 5.641 1.00 34.32 H new ATOM 0 HA ALA A 10 14.769 4.346 6.259 1.00 72.44 H new ATOM 0 HB1 ALA A 10 14.227 6.617 5.442 1.00 23.30 H new ATOM 0 HB2 ALA A 10 13.531 5.356 4.397 1.00 23.30 H new ATOM 0 HB3 ALA A 10 12.493 6.232 5.546 1.00 23.30 H new ATOM 155 N ARG A 11 12.630 5.546 8.435 1.00 34.12 N ATOM 156 CA ARG A 11 12.514 6.145 9.759 1.00 3.32 C ATOM 157 C ARG A 11 13.471 5.478 10.743 1.00 13.02 C ATOM 158 O ARG A 11 14.464 6.074 11.161 1.00 3.21 O ATOM 159 CB ARG A 11 11.077 6.031 10.271 1.00 62.42 C ATOM 160 CG ARG A 11 10.799 6.878 11.501 1.00 3.54 C ATOM 161 CD ARG A 11 9.362 6.722 11.973 1.00 60.12 C ATOM 162 NE ARG A 11 8.649 7.996 11.987 1.00 53.24 N ATOM 163 CZ ARG A 11 7.415 8.143 12.456 1.00 32.43 C ATOM 164 NH1 ARG A 11 6.761 7.099 12.948 1.00 1.43 N ATOM 165 NH2 ARG A 11 6.832 9.335 12.435 1.00 65.33 N ATOM 0 H ARG A 11 11.744 5.247 8.028 1.00 34.12 H new ATOM 0 HA ARG A 11 12.780 7.199 9.678 1.00 3.32 H new ATOM 0 HB2 ARG A 11 10.393 6.326 9.475 1.00 62.42 H new ATOM 0 HB3 ARG A 11 10.865 4.987 10.504 1.00 62.42 H new ATOM 0 HG2 ARG A 11 11.479 6.591 12.303 1.00 3.54 H new ATOM 0 HG3 ARG A 11 10.997 7.926 11.275 1.00 3.54 H new ATOM 0 HD2 ARG A 11 8.840 6.022 11.321 1.00 60.12 H new ATOM 0 HD3 ARG A 11 9.354 6.291 12.974 1.00 60.12 H new ATOM 0 HE ARG A 11 9.125 8.819 11.616 1.00 53.24 H new ATOM 0 HH11 ARG A 11 7.206 6.181 12.967 1.00 1.43 H new ATOM 0 HH12 ARG A 11 5.813 7.214 13.308 1.00 1.43 H new ATOM 0 HH21 ARG A 11 7.332 10.140 12.058 1.00 65.33 H new ATOM 0 HH22 ARG A 11 5.884 9.446 12.796 1.00 65.33 H new ATOM 179 N LEU A 12 13.164 4.239 11.110 1.00 62.42 N ATOM 180 CA LEU A 12 13.996 3.490 12.045 1.00 30.44 C ATOM 181 C LEU A 12 15.444 3.441 11.568 1.00 11.13 C ATOM 182 O LEU A 12 16.374 3.456 12.374 1.00 3.14 O ATOM 183 CB LEU A 12 13.455 2.069 12.215 1.00 70.22 C ATOM 184 CG LEU A 12 11.998 1.955 12.664 1.00 31.41 C ATOM 185 CD1 LEU A 12 11.579 0.495 12.750 1.00 55.22 C ATOM 186 CD2 LEU A 12 11.797 2.649 14.003 1.00 33.33 C ATOM 0 H LEU A 12 12.345 3.732 10.774 1.00 62.42 H new ATOM 0 HA LEU A 12 13.967 4.001 13.007 1.00 30.44 H new ATOM 0 HB2 LEU A 12 13.564 1.544 11.266 1.00 70.22 H new ATOM 0 HB3 LEU A 12 14.080 1.548 12.941 1.00 70.22 H new ATOM 0 HG LEU A 12 11.369 2.449 11.923 1.00 31.41 H new ATOM 0 HD11 LEU A 12 10.539 0.433 13.071 1.00 55.22 H new ATOM 0 HD12 LEU A 12 11.685 0.028 11.771 1.00 55.22 H new ATOM 0 HD13 LEU A 12 12.212 -0.024 13.470 1.00 55.22 H new ATOM 0 HD21 LEU A 12 10.754 2.558 14.307 1.00 33.33 H new ATOM 0 HD22 LEU A 12 12.436 2.184 14.754 1.00 33.33 H new ATOM 0 HD23 LEU A 12 12.057 3.703 13.909 1.00 33.33 H new ATOM 198 N ARG A 13 15.627 3.385 10.253 1.00 34.11 N ATOM 199 CA ARG A 13 16.961 3.335 9.669 1.00 43.44 C ATOM 200 C ARG A 13 17.785 4.548 10.092 1.00 65.21 C ATOM 201 O ARG A 13 18.887 4.407 10.623 1.00 52.43 O ATOM 202 CB ARG A 13 16.871 3.274 8.143 1.00 40.33 C ATOM 203 CG ARG A 13 18.031 2.538 7.493 1.00 70.31 C ATOM 204 CD ARG A 13 19.354 3.241 7.754 1.00 53.25 C ATOM 205 NE ARG A 13 19.289 4.665 7.433 1.00 70.40 N ATOM 206 CZ ARG A 13 20.221 5.541 7.789 1.00 44.21 C ATOM 207 NH1 ARG A 13 21.285 5.142 8.473 1.00 33.00 N ATOM 208 NH2 ARG A 13 20.092 6.820 7.460 1.00 54.10 N ATOM 0 H ARG A 13 14.868 3.373 9.572 1.00 34.11 H new ATOM 0 HA ARG A 13 17.456 2.435 10.033 1.00 43.44 H new ATOM 0 HB2 ARG A 13 15.938 2.785 7.862 1.00 40.33 H new ATOM 0 HB3 ARG A 13 16.830 4.290 7.749 1.00 40.33 H new ATOM 0 HG2 ARG A 13 18.077 1.519 7.877 1.00 70.31 H new ATOM 0 HG3 ARG A 13 17.862 2.466 6.419 1.00 70.31 H new ATOM 0 HD2 ARG A 13 19.630 3.118 8.801 1.00 53.25 H new ATOM 0 HD3 ARG A 13 20.138 2.771 7.160 1.00 53.25 H new ATOM 0 HE ARG A 13 18.484 5.005 6.907 1.00 70.40 H new ATOM 0 HH11 ARG A 13 21.389 4.160 8.727 1.00 33.00 H new ATOM 0 HH12 ARG A 13 21.999 5.818 8.745 1.00 33.00 H new ATOM 0 HH21 ARG A 13 19.276 7.131 6.933 1.00 54.10 H new ATOM 0 HH22 ARG A 13 20.809 7.492 7.734 1.00 54.10 H new ATOM 222 N ALA A 14 17.244 5.738 9.852 1.00 21.34 N ATOM 223 CA ALA A 14 17.928 6.974 10.210 1.00 42.10 C ATOM 224 C ALA A 14 18.272 7.001 11.695 1.00 4.43 C ATOM 225 O ALA A 14 19.375 7.391 12.080 1.00 31.24 O ATOM 226 CB ALA A 14 17.071 8.177 9.843 1.00 64.44 C ATOM 0 H ALA A 14 16.334 5.872 9.411 1.00 21.34 H new ATOM 0 HA ALA A 14 18.860 7.020 9.647 1.00 42.10 H new ATOM 0 HB1 ALA A 14 17.594 9.093 10.116 1.00 64.44 H new ATOM 0 HB2 ALA A 14 16.880 8.174 8.770 1.00 64.44 H new ATOM 0 HB3 ALA A 14 16.124 8.126 10.380 1.00 64.44 H new