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 3.830 -0.930 -1.685 1.00 13.05 N ATOM 14 CA PRO A 2 5.268 -1.193 -1.796 1.00 55.41 C ATOM 15 C PRO A 2 6.094 0.088 -1.770 1.00 45.33 C ATOM 16 O PRO A 2 7.233 0.094 -1.301 1.00 14.21 O ATOM 17 CB PRO A 2 5.397 -1.885 -3.155 1.00 22.52 C ATOM 18 CG PRO A 2 4.222 -1.409 -3.937 1.00 31.24 C ATOM 19 CD PRO A 2 3.113 -1.213 -2.940 1.00 4.23 C ATOM 0 HA PRO A 2 5.640 -1.788 -0.962 1.00 55.41 H new ATOM 0 HB2 PRO A 2 6.333 -1.620 -3.647 1.00 22.52 H new ATOM 0 HB3 PRO A 2 5.389 -2.970 -3.049 1.00 22.52 H new ATOM 0 HG2 PRO A 2 4.450 -0.478 -4.456 1.00 31.24 H new ATOM 0 HG3 PRO A 2 3.939 -2.136 -4.698 1.00 31.24 H new ATOM 0 HD2 PRO A 2 2.458 -0.389 -3.224 1.00 4.23 H new ATOM 0 HD3 PRO A 2 2.488 -2.102 -2.854 1.00 4.23 H new ATOM 27 N ARG A 3 5.515 1.172 -2.277 1.00 71.41 N ATOM 28 CA ARG A 3 6.199 2.458 -2.312 1.00 43.55 C ATOM 29 C ARG A 3 5.922 3.257 -1.042 1.00 54.02 C ATOM 30 O ARG A 3 6.471 4.342 -0.847 1.00 75.11 O ATOM 31 CB ARG A 3 5.759 3.261 -3.538 1.00 62.34 C ATOM 32 CG ARG A 3 6.044 2.562 -4.858 1.00 30.11 C ATOM 33 CD ARG A 3 6.830 3.456 -5.804 1.00 2.35 C ATOM 34 NE ARG A 3 8.121 3.846 -5.242 1.00 52.10 N ATOM 35 CZ ARG A 3 9.087 4.421 -5.950 1.00 32.12 C ATOM 36 NH1 ARG A 3 8.909 4.672 -7.239 1.00 73.25 N ATOM 37 NH2 ARG A 3 10.234 4.746 -5.367 1.00 52.45 N ATOM 0 H ARG A 3 4.573 1.184 -2.669 1.00 71.41 H new ATOM 0 HA ARG A 3 7.271 2.269 -2.375 1.00 43.55 H new ATOM 0 HB2 ARG A 3 4.690 3.462 -3.466 1.00 62.34 H new ATOM 0 HB3 ARG A 3 6.266 4.226 -3.531 1.00 62.34 H new ATOM 0 HG2 ARG A 3 6.604 1.646 -4.672 1.00 30.11 H new ATOM 0 HG3 ARG A 3 5.104 2.271 -5.327 1.00 30.11 H new ATOM 0 HD2 ARG A 3 6.988 2.935 -6.748 1.00 2.35 H new ATOM 0 HD3 ARG A 3 6.247 4.349 -6.027 1.00 2.35 H new ATOM 0 HE ARG A 3 8.290 3.667 -4.252 1.00 52.10 H new ATOM 0 HH11 ARG A 3 8.029 4.424 -7.690 1.00 73.25 H new ATOM 0 HH12 ARG A 3 9.652 5.114 -7.780 1.00 73.25 H new ATOM 0 HH21 ARG A 3 10.374 4.554 -4.375 1.00 52.45 H new ATOM 0 HH22 ARG A 3 10.975 5.187 -5.911 1.00 52.45 H new ATOM 51 N ILE A 4 5.067 2.713 -0.183 1.00 15.32 N ATOM 52 CA ILE A 4 4.717 3.375 1.068 1.00 31.31 C ATOM 53 C ILE A 4 5.499 2.787 2.238 1.00 42.31 C ATOM 54 O ILE A 4 5.725 3.457 3.246 1.00 75.34 O ATOM 55 CB ILE A 4 3.210 3.260 1.364 1.00 72.24 C ATOM 56 CG1 ILE A 4 2.400 3.986 0.287 1.00 21.32 C ATOM 57 CG2 ILE A 4 2.896 3.824 2.741 1.00 14.11 C ATOM 58 CD1 ILE A 4 2.668 5.473 0.230 1.00 12.30 C ATOM 0 H ILE A 4 4.604 1.816 -0.330 1.00 15.32 H new ATOM 0 HA ILE A 4 4.977 4.427 0.951 1.00 31.31 H new ATOM 0 HB ILE A 4 2.932 2.206 1.353 1.00 72.24 H new ATOM 0 HG12 ILE A 4 2.626 3.547 -0.684 1.00 21.32 H new ATOM 0 HG13 ILE A 4 1.338 3.823 0.471 1.00 21.32 H new ATOM 0 HG21 ILE A 4 1.827 3.735 2.935 1.00 14.11 H new ATOM 0 HG22 ILE A 4 3.450 3.267 3.497 1.00 14.11 H new ATOM 0 HG23 ILE A 4 3.186 4.874 2.779 1.00 14.11 H new ATOM 0 HD11 ILE A 4 2.060 5.922 -0.555 1.00 12.30 H new ATOM 0 HD12 ILE A 4 2.414 5.925 1.189 1.00 12.30 H new ATOM 0 HD13 ILE A 4 3.723 5.645 0.015 1.00 12.30 H new ATOM 70 N ALA A 5 5.912 1.532 2.096 1.00 42.24 N ATOM 71 CA ALA A 5 6.673 0.855 3.139 1.00 50.53 C ATOM 72 C ALA A 5 8.156 1.200 3.048 1.00 14.43 C ATOM 73 O ALA A 5 8.857 1.235 4.059 1.00 62.03 O ATOM 74 CB ALA A 5 6.473 -0.650 3.046 1.00 53.15 C ATOM 0 H ALA A 5 5.732 0.963 1.269 1.00 42.24 H new ATOM 0 HA ALA A 5 6.305 1.200 4.105 1.00 50.53 H new ATOM 0 HB1 ALA A 5 7.047 -1.143 3.831 1.00 53.15 H new ATOM 0 HB2 ALA A 5 5.416 -0.885 3.168 1.00 53.15 H new ATOM 0 HB3 ALA A 5 6.813 -1.003 2.072 1.00 53.15 H new ATOM 80 N ALA A 6 8.626 1.454 1.832 1.00 42.44 N ATOM 81 CA ALA A 6 10.025 1.798 1.610 1.00 23.20 C ATOM 82 C ALA A 6 10.423 3.028 2.418 1.00 2.23 C ATOM 83 O ALA A 6 11.597 3.223 2.733 1.00 64.22 O ATOM 84 CB ALA A 6 10.283 2.031 0.129 1.00 64.12 C ATOM 0 H ALA A 6 8.058 1.428 0.985 1.00 42.44 H new ATOM 0 HA ALA A 6 10.637 0.961 1.947 1.00 23.20 H new ATOM 0 HB1 ALA A 6 11.332 2.287 -0.022 1.00 64.12 H new ATOM 0 HB2 ALA A 6 10.047 1.125 -0.428 1.00 64.12 H new ATOM 0 HB3 ALA A 6 9.655 2.849 -0.225 1.00 64.12 H new ATOM 90 N ARG A 7 9.438 3.856 2.751 1.00 41.13 N ATOM 91 CA ARG A 7 9.686 5.069 3.521 1.00 64.13 C ATOM 92 C ARG A 7 9.449 4.826 5.008 1.00 3.44 C ATOM 93 O ARG A 7 10.006 5.521 5.858 1.00 51.15 O ATOM 94 CB ARG A 7 8.787 6.204 3.028 1.00 11.24 C ATOM 95 CG ARG A 7 9.545 7.477 2.686 1.00 75.51 C ATOM 96 CD ARG A 7 8.602 8.657 2.515 1.00 53.31 C ATOM 97 NE ARG A 7 8.434 9.025 1.112 1.00 42.25 N ATOM 98 CZ ARG A 7 7.985 10.209 0.711 1.00 54.22 C ATOM 99 NH1 ARG A 7 7.660 11.135 1.602 1.00 13.15 N ATOM 100 NH2 ARG A 7 7.860 10.469 -0.584 1.00 54.24 N ATOM 0 H ARG A 7 8.461 3.709 2.499 1.00 41.13 H new ATOM 0 HA ARG A 7 10.729 5.354 3.379 1.00 64.13 H new ATOM 0 HB2 ARG A 7 8.242 5.868 2.146 1.00 11.24 H new ATOM 0 HB3 ARG A 7 8.045 6.428 3.795 1.00 11.24 H new ATOM 0 HG2 ARG A 7 10.265 7.696 3.475 1.00 75.51 H new ATOM 0 HG3 ARG A 7 10.113 7.328 1.768 1.00 75.51 H new ATOM 0 HD2 ARG A 7 7.631 8.410 2.944 1.00 53.31 H new ATOM 0 HD3 ARG A 7 8.987 9.512 3.070 1.00 53.31 H new ATOM 0 HE ARG A 7 8.675 8.335 0.401 1.00 42.25 H new ATOM 0 HH11 ARG A 7 7.754 10.939 2.599 1.00 13.15 H new ATOM 0 HH12 ARG A 7 7.316 12.043 1.291 1.00 13.15 H new ATOM 0 HH21 ARG A 7 8.109 9.759 -1.273 1.00 54.24 H new ATOM 0 HH22 ARG A 7 7.515 11.379 -0.891 1.00 54.24 H new ATOM 114 N GLY A 8 8.618 3.835 5.316 1.00 10.23 N ATOM 115 CA GLY A 8 8.321 3.519 6.701 1.00 2.23 C ATOM 116 C GLY A 8 9.513 2.929 7.429 1.00 35.04 C ATOM 117 O GLY A 8 9.660 3.107 8.639 1.00 73.43 O ATOM 0 H GLY A 8 8.145 3.245 4.631 1.00 10.23 H new ATOM 0 HA2 GLY A 8 7.996 4.423 7.215 1.00 2.23 H new ATOM 0 HA3 GLY A 8 7.490 2.814 6.740 1.00 2.23 H new ATOM 121 N ARG A 9 10.364 2.223 6.692 1.00 3.55 N ATOM 122 CA ARG A 9 11.547 1.603 7.276 1.00 21.53 C ATOM 123 C ARG A 9 12.665 2.625 7.457 1.00 41.23 C ATOM 124 O ARG A 9 13.489 2.506 8.363 1.00 70.50 O ATOM 125 CB ARG A 9 12.033 0.451 6.394 1.00 35.33 C ATOM 126 CG ARG A 9 13.174 -0.345 7.006 1.00 61.24 C ATOM 127 CD ARG A 9 14.042 -0.987 5.934 1.00 1.25 C ATOM 128 NE ARG A 9 14.159 -2.431 6.117 1.00 31.11 N ATOM 129 CZ ARG A 9 14.964 -2.996 7.010 1.00 64.25 C ATOM 130 NH1 ARG A 9 15.720 -2.243 7.797 1.00 53.43 N ATOM 131 NH2 ARG A 9 15.015 -4.318 7.116 1.00 2.21 N ATOM 0 H ARG A 9 10.256 2.066 5.690 1.00 3.55 H new ATOM 0 HA ARG A 9 11.274 1.212 8.256 1.00 21.53 H new ATOM 0 HB2 ARG A 9 11.198 -0.221 6.196 1.00 35.33 H new ATOM 0 HB3 ARG A 9 12.355 0.851 5.433 1.00 35.33 H new ATOM 0 HG2 ARG A 9 13.785 0.311 7.626 1.00 61.24 H new ATOM 0 HG3 ARG A 9 12.770 -1.118 7.660 1.00 61.24 H new ATOM 0 HD2 ARG A 9 13.618 -0.779 4.952 1.00 1.25 H new ATOM 0 HD3 ARG A 9 15.035 -0.537 5.954 1.00 1.25 H new ATOM 0 HE ARG A 9 13.591 -3.039 5.527 1.00 31.11 H new ATOM 0 HH11 ARG A 9 15.685 -1.227 7.718 1.00 53.43 H new ATOM 0 HH12 ARG A 9 16.337 -2.680 8.482 1.00 53.43 H new ATOM 0 HH21 ARG A 9 14.436 -4.901 6.512 1.00 2.21 H new ATOM 0 HH22 ARG A 9 15.633 -4.751 7.802 1.00 2.21 H new ATOM 145 N ALA A 10 12.687 3.630 6.587 1.00 12.01 N ATOM 146 CA ALA A 10 13.702 4.674 6.651 1.00 21.13 C ATOM 147 C ALA A 10 13.738 5.320 8.032 1.00 43.41 C ATOM 148 O ALA A 10 14.795 5.740 8.504 1.00 62.22 O ATOM 149 CB ALA A 10 13.447 5.725 5.581 1.00 70.32 C ATOM 0 H ALA A 10 12.013 3.743 5.830 1.00 12.01 H new ATOM 0 HA ALA A 10 14.673 4.214 6.468 1.00 21.13 H new ATOM 0 HB1 ALA A 10 14.213 6.498 5.641 1.00 70.32 H new ATOM 0 HB2 ALA A 10 13.479 5.258 4.597 1.00 70.32 H new ATOM 0 HB3 ALA A 10 12.466 6.173 5.738 1.00 70.32 H new ATOM 155 N ARG A 11 12.577 5.398 8.674 1.00 4.42 N ATOM 156 CA ARG A 11 12.477 5.996 10.000 1.00 33.03 C ATOM 157 C ARG A 11 13.496 5.379 10.954 1.00 71.15 C ATOM 158 O ARG A 11 14.473 6.024 11.337 1.00 33.35 O ATOM 159 CB ARG A 11 11.064 5.814 10.559 1.00 23.21 C ATOM 160 CG ARG A 11 10.786 6.652 11.796 1.00 21.44 C ATOM 161 CD ARG A 11 9.374 6.428 12.315 1.00 62.22 C ATOM 162 NE ARG A 11 8.411 7.325 11.684 1.00 55.45 N ATOM 163 CZ ARG A 11 7.100 7.257 11.887 1.00 74.32 C ATOM 164 NH1 ARG A 11 6.599 6.337 12.700 1.00 12.44 N ATOM 165 NH2 ARG A 11 6.287 8.109 11.276 1.00 53.21 N ATOM 0 H ARG A 11 11.693 5.055 8.298 1.00 4.42 H new ATOM 0 HA ARG A 11 12.690 7.061 9.908 1.00 33.03 H new ATOM 0 HB2 ARG A 11 10.340 6.072 9.786 1.00 23.21 H new ATOM 0 HB3 ARG A 11 10.911 4.762 10.801 1.00 23.21 H new ATOM 0 HG2 ARG A 11 11.505 6.402 12.576 1.00 21.44 H new ATOM 0 HG3 ARG A 11 10.925 7.707 11.561 1.00 21.44 H new ATOM 0 HD2 ARG A 11 9.080 5.394 12.132 1.00 62.22 H new ATOM 0 HD3 ARG A 11 9.356 6.578 13.394 1.00 62.22 H new ATOM 0 HE ARG A 11 8.764 8.044 11.052 1.00 55.45 H new ATOM 0 HH11 ARG A 11 7.221 5.680 13.171 1.00 12.44 H new ATOM 0 HH12 ARG A 11 5.592 6.287 12.854 1.00 12.44 H new ATOM 0 HH21 ARG A 11 6.668 8.818 10.649 1.00 53.21 H new ATOM 0 HH22 ARG A 11 5.281 8.055 11.433 1.00 53.21 H new ATOM 179 N LEU A 12 13.262 4.127 11.332 1.00 12.32 N ATOM 180 CA LEU A 12 14.159 3.422 12.241 1.00 10.53 C ATOM 181 C LEU A 12 15.596 3.467 11.731 1.00 32.23 C ATOM 182 O LEU A 12 16.544 3.474 12.517 1.00 72.31 O ATOM 183 CB LEU A 12 13.710 1.970 12.408 1.00 34.23 C ATOM 184 CG LEU A 12 12.218 1.754 12.666 1.00 10.14 C ATOM 185 CD1 LEU A 12 11.929 0.285 12.931 1.00 61.42 C ATOM 186 CD2 LEU A 12 11.750 2.610 13.834 1.00 15.21 C ATOM 0 H LEU A 12 12.459 3.579 11.023 1.00 12.32 H new ATOM 0 HA LEU A 12 14.121 3.921 13.209 1.00 10.53 H new ATOM 0 HB2 LEU A 12 13.986 1.420 11.509 1.00 34.23 H new ATOM 0 HB3 LEU A 12 14.269 1.531 13.235 1.00 34.23 H new ATOM 0 HG LEU A 12 11.667 2.056 11.775 1.00 10.14 H new ATOM 0 HD11 LEU A 12 10.863 0.151 13.112 1.00 61.42 H new ATOM 0 HD12 LEU A 12 12.227 -0.306 12.065 1.00 61.42 H new ATOM 0 HD13 LEU A 12 12.490 -0.044 13.806 1.00 61.42 H new ATOM 0 HD21 LEU A 12 10.686 2.444 14.004 1.00 15.21 H new ATOM 0 HD22 LEU A 12 12.307 2.338 14.731 1.00 15.21 H new ATOM 0 HD23 LEU A 12 11.921 3.662 13.606 1.00 15.21 H new ATOM 198 N ARG A 13 15.749 3.499 10.412 1.00 62.24 N ATOM 199 CA ARG A 13 17.070 3.544 9.797 1.00 64.32 C ATOM 200 C ARG A 13 17.852 4.763 10.277 1.00 23.10 C ATOM 201 O ARG A 13 18.917 4.632 10.879 1.00 24.22 O ATOM 202 CB ARG A 13 16.946 3.572 8.272 1.00 3.14 C ATOM 203 CG ARG A 13 18.121 2.928 7.554 1.00 54.34 C ATOM 204 CD ARG A 13 19.418 3.672 7.829 1.00 21.02 C ATOM 205 NE ARG A 13 20.291 3.702 6.659 1.00 51.23 N ATOM 206 CZ ARG A 13 20.966 2.647 6.218 1.00 61.40 C ATOM 207 NH1 ARG A 13 20.869 1.484 6.847 1.00 60.50 N ATOM 208 NH2 ARG A 13 21.740 2.753 5.145 1.00 1.15 N ATOM 0 H ARG A 13 14.975 3.495 9.748 1.00 62.24 H new ATOM 0 HA ARG A 13 17.612 2.646 10.094 1.00 64.32 H new ATOM 0 HB2 ARG A 13 16.029 3.060 7.981 1.00 3.14 H new ATOM 0 HB3 ARG A 13 16.852 4.607 7.942 1.00 3.14 H new ATOM 0 HG2 ARG A 13 18.220 1.891 7.874 1.00 54.34 H new ATOM 0 HG3 ARG A 13 17.929 2.913 6.481 1.00 54.34 H new ATOM 0 HD2 ARG A 13 19.192 4.692 8.139 1.00 21.02 H new ATOM 0 HD3 ARG A 13 19.940 3.195 8.659 1.00 21.02 H new ATOM 0 HE ARG A 13 20.388 4.582 6.152 1.00 51.23 H new ATOM 0 HH11 ARG A 13 20.275 1.398 7.672 1.00 60.50 H new ATOM 0 HH12 ARG A 13 21.388 0.675 6.506 1.00 60.50 H new ATOM 0 HH21 ARG A 13 21.817 3.646 4.658 1.00 1.15 H new ATOM 0 HH22 ARG A 13 22.258 1.942 4.808 1.00 1.15 H new ATOM 222 N ALA A 14 17.316 5.948 10.005 1.00 13.14 N ATOM 223 CA ALA A 14 17.962 7.190 10.411 1.00 50.23 C ATOM 224 C ALA A 14 18.189 7.224 11.918 1.00 11.43 C ATOM 225 O ALA A 14 19.305 7.458 12.383 1.00 33.32 O ATOM 226 CB ALA A 14 17.129 8.386 9.973 1.00 31.21 C ATOM 0 H ALA A 14 16.436 6.074 9.505 1.00 13.14 H new ATOM 0 HA ALA A 14 18.935 7.241 9.923 1.00 50.23 H new ATOM 0 HB1 ALA A 14 17.623 9.307 10.283 1.00 31.21 H new ATOM 0 HB2 ALA A 14 17.023 8.378 8.888 1.00 31.21 H new ATOM 0 HB3 ALA A 14 16.143 8.331 10.434 1.00 31.21 H new