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 4.368 -1.050 -1.981 1.00 50.32 N ATOM 14 CA PRO A 2 5.822 -1.227 -1.931 1.00 22.22 C ATOM 15 C PRO A 2 6.566 0.102 -1.862 1.00 64.02 C ATOM 16 O PRO A 2 7.714 0.159 -1.420 1.00 41.44 O ATOM 17 CB PRO A 2 6.137 -1.949 -3.243 1.00 62.23 C ATOM 18 CG PRO A 2 5.027 -1.568 -4.161 1.00 44.12 C ATOM 19 CD PRO A 2 3.809 -1.411 -3.295 1.00 34.35 C ATOM 0 HA PRO A 2 6.135 -1.774 -1.042 1.00 22.22 H new ATOM 0 HB2 PRO A 2 7.104 -1.642 -3.642 1.00 62.23 H new ATOM 0 HB3 PRO A 2 6.180 -3.029 -3.100 1.00 62.23 H new ATOM 0 HG2 PRO A 2 5.255 -0.640 -4.685 1.00 44.12 H new ATOM 0 HG3 PRO A 2 4.869 -2.333 -4.921 1.00 44.12 H new ATOM 0 HD2 PRO A 2 3.143 -0.636 -3.675 1.00 34.35 H new ATOM 0 HD3 PRO A 2 3.230 -2.333 -3.246 1.00 34.35 H new ATOM 27 N ARG A 3 5.906 1.168 -2.301 1.00 54.24 N ATOM 28 CA ARG A 3 6.506 2.497 -2.290 1.00 75.11 C ATOM 29 C ARG A 3 6.212 3.215 -0.976 1.00 71.11 C ATOM 30 O ARG A 3 6.696 4.323 -0.741 1.00 74.34 O ATOM 31 CB ARG A 3 5.982 3.326 -3.465 1.00 24.14 C ATOM 32 CG ARG A 3 6.275 2.710 -4.823 1.00 45.20 C ATOM 33 CD ARG A 3 6.357 3.771 -5.910 1.00 34.04 C ATOM 34 NE ARG A 3 5.061 4.395 -6.164 1.00 34.54 N ATOM 35 CZ ARG A 3 4.857 5.307 -7.107 1.00 14.42 C ATOM 36 NH1 ARG A 3 5.858 5.701 -7.881 1.00 63.53 N ATOM 37 NH2 ARG A 3 3.648 5.829 -7.277 1.00 63.40 N ATOM 0 H ARG A 3 4.955 1.138 -2.669 1.00 54.24 H new ATOM 0 HA ARG A 3 7.585 2.382 -2.388 1.00 75.11 H new ATOM 0 HB2 ARG A 3 4.905 3.453 -3.358 1.00 24.14 H new ATOM 0 HB3 ARG A 3 6.426 4.321 -3.423 1.00 24.14 H new ATOM 0 HG2 ARG A 3 7.215 2.159 -4.779 1.00 45.20 H new ATOM 0 HG3 ARG A 3 5.495 1.991 -5.073 1.00 45.20 H new ATOM 0 HD2 ARG A 3 7.076 4.536 -5.617 1.00 34.04 H new ATOM 0 HD3 ARG A 3 6.729 3.320 -6.830 1.00 34.04 H new ATOM 0 HE ARG A 3 4.269 4.115 -5.585 1.00 34.54 H new ATOM 0 HH11 ARG A 3 6.789 5.303 -7.753 1.00 63.53 H new ATOM 0 HH12 ARG A 3 5.698 6.402 -8.605 1.00 63.53 H new ATOM 0 HH21 ARG A 3 2.875 5.529 -6.683 1.00 63.40 H new ATOM 0 HH22 ARG A 3 3.492 6.530 -8.002 1.00 63.40 H new ATOM 51 N ILE A 4 5.417 2.577 -0.124 1.00 73.31 N ATOM 52 CA ILE A 4 5.060 3.154 1.166 1.00 55.34 C ATOM 53 C ILE A 4 5.909 2.564 2.286 1.00 12.23 C ATOM 54 O ILE A 4 6.118 3.198 3.320 1.00 41.41 O ATOM 55 CB ILE A 4 3.571 2.928 1.491 1.00 43.10 C ATOM 56 CG1 ILE A 4 2.688 3.650 0.471 1.00 63.11 C ATOM 57 CG2 ILE A 4 3.259 3.405 2.901 1.00 0.25 C ATOM 58 CD1 ILE A 4 2.855 5.153 0.484 1.00 42.31 C ATOM 0 H ILE A 4 5.008 1.660 -0.304 1.00 73.31 H new ATOM 0 HA ILE A 4 5.250 4.225 1.096 1.00 55.34 H new ATOM 0 HB ILE A 4 3.360 1.860 1.434 1.00 43.10 H new ATOM 0 HG12 ILE A 4 2.918 3.276 -0.526 1.00 63.11 H new ATOM 0 HG13 ILE A 4 1.644 3.407 0.670 1.00 63.11 H new ATOM 0 HG21 ILE A 4 2.203 3.239 3.116 1.00 0.25 H new ATOM 0 HG22 ILE A 4 3.867 2.850 3.616 1.00 0.25 H new ATOM 0 HG23 ILE A 4 3.483 4.469 2.983 1.00 0.25 H new ATOM 0 HD11 ILE A 4 2.199 5.598 -0.264 1.00 42.31 H new ATOM 0 HD12 ILE A 4 2.596 5.539 1.470 1.00 42.31 H new ATOM 0 HD13 ILE A 4 3.890 5.406 0.255 1.00 42.31 H new ATOM 70 N ALA A 5 6.397 1.347 2.073 1.00 31.40 N ATOM 71 CA ALA A 5 7.227 0.672 3.063 1.00 11.13 C ATOM 72 C ALA A 5 8.682 1.117 2.955 1.00 74.42 C ATOM 73 O ALA A 5 9.406 1.150 3.949 1.00 61.20 O ATOM 74 CB ALA A 5 7.121 -0.837 2.901 1.00 13.03 C ATOM 0 H ALA A 5 6.232 0.808 1.223 1.00 31.40 H new ATOM 0 HA ALA A 5 6.863 0.946 4.053 1.00 11.13 H new ATOM 0 HB1 ALA A 5 7.746 -1.328 3.647 1.00 13.03 H new ATOM 0 HB2 ALA A 5 6.084 -1.146 3.036 1.00 13.03 H new ATOM 0 HB3 ALA A 5 7.456 -1.120 1.903 1.00 13.03 H new ATOM 80 N ALA A 6 9.103 1.457 1.741 1.00 34.30 N ATOM 81 CA ALA A 6 10.471 1.900 1.503 1.00 14.44 C ATOM 82 C ALA A 6 10.811 3.114 2.361 1.00 12.32 C ATOM 83 O ALA A 6 11.978 3.370 2.657 1.00 63.32 O ATOM 84 CB ALA A 6 10.673 2.220 0.030 1.00 64.44 C ATOM 0 H ALA A 6 8.516 1.434 0.907 1.00 34.30 H new ATOM 0 HA ALA A 6 11.144 1.089 1.783 1.00 14.44 H new ATOM 0 HB1 ALA A 6 11.699 2.550 -0.133 1.00 64.44 H new ATOM 0 HB2 ALA A 6 10.479 1.328 -0.566 1.00 64.44 H new ATOM 0 HB3 ALA A 6 9.986 3.012 -0.268 1.00 64.44 H new ATOM 90 N ARG A 7 9.784 3.860 2.757 1.00 23.32 N ATOM 91 CA ARG A 7 9.975 5.048 3.580 1.00 45.23 C ATOM 92 C ARG A 7 9.795 4.721 5.059 1.00 74.40 C ATOM 93 O ARG A 7 10.328 5.409 5.928 1.00 44.14 O ATOM 94 CB ARG A 7 8.992 6.145 3.165 1.00 25.33 C ATOM 95 CG ARG A 7 9.667 7.395 2.626 1.00 41.25 C ATOM 96 CD ARG A 7 8.717 8.583 2.620 1.00 20.42 C ATOM 97 NE ARG A 7 8.290 8.936 1.269 1.00 61.10 N ATOM 98 CZ ARG A 7 7.769 10.115 0.948 1.00 62.14 C ATOM 99 NH1 ARG A 7 7.612 11.049 1.875 1.00 1.02 N ATOM 100 NH2 ARG A 7 7.405 10.361 -0.304 1.00 53.43 N ATOM 0 H ARG A 7 8.812 3.662 2.521 1.00 23.32 H new ATOM 0 HA ARG A 7 10.993 5.405 3.427 1.00 45.23 H new ATOM 0 HB2 ARG A 7 8.319 5.749 2.405 1.00 25.33 H new ATOM 0 HB3 ARG A 7 8.378 6.415 4.024 1.00 25.33 H new ATOM 0 HG2 ARG A 7 10.540 7.629 3.235 1.00 41.25 H new ATOM 0 HG3 ARG A 7 10.025 7.209 1.613 1.00 41.25 H new ATOM 0 HD2 ARG A 7 7.842 8.351 3.227 1.00 20.42 H new ATOM 0 HD3 ARG A 7 9.207 9.441 3.081 1.00 20.42 H new ATOM 0 HE ARG A 7 8.398 8.239 0.532 1.00 61.10 H new ATOM 0 HH11 ARG A 7 7.892 10.864 2.838 1.00 1.02 H new ATOM 0 HH12 ARG A 7 7.212 11.953 1.625 1.00 1.02 H new ATOM 0 HH21 ARG A 7 7.525 9.645 -1.020 1.00 53.43 H new ATOM 0 HH22 ARG A 7 7.005 11.266 -0.550 1.00 53.43 H new ATOM 114 N GLY A 8 9.037 3.664 5.338 1.00 70.03 N ATOM 115 CA GLY A 8 8.799 3.264 6.712 1.00 35.01 C ATOM 116 C GLY A 8 10.044 2.719 7.382 1.00 64.12 C ATOM 117 O GLY A 8 10.212 2.847 8.595 1.00 74.22 O ATOM 0 H GLY A 8 8.584 3.078 4.637 1.00 70.03 H new ATOM 0 HA2 GLY A 8 8.431 4.120 7.278 1.00 35.01 H new ATOM 0 HA3 GLY A 8 8.016 2.506 6.736 1.00 35.01 H new ATOM 121 N ARG A 9 10.920 2.108 6.591 1.00 63.12 N ATOM 122 CA ARG A 9 12.156 1.539 7.115 1.00 31.31 C ATOM 123 C ARG A 9 13.203 2.626 7.340 1.00 72.22 C ATOM 124 O ARG A 9 13.970 2.573 8.301 1.00 40.34 O ATOM 125 CB ARG A 9 12.702 0.480 6.155 1.00 2.14 C ATOM 126 CG ARG A 9 13.892 -0.288 6.709 1.00 53.34 C ATOM 127 CD ARG A 9 13.768 -1.779 6.435 1.00 3.53 C ATOM 128 NE ARG A 9 15.010 -2.492 6.722 1.00 32.12 N ATOM 129 CZ ARG A 9 15.119 -3.816 6.697 1.00 3.32 C ATOM 130 NH1 ARG A 9 14.067 -4.566 6.399 1.00 3.34 N ATOM 131 NH2 ARG A 9 16.283 -4.392 6.970 1.00 42.32 N ATOM 0 H ARG A 9 10.797 1.994 5.585 1.00 63.12 H new ATOM 0 HA ARG A 9 11.933 1.070 8.073 1.00 31.31 H new ATOM 0 HB2 ARG A 9 11.906 -0.224 5.914 1.00 2.14 H new ATOM 0 HB3 ARG A 9 12.994 0.963 5.222 1.00 2.14 H new ATOM 0 HG2 ARG A 9 14.811 0.090 6.261 1.00 53.34 H new ATOM 0 HG3 ARG A 9 13.968 -0.119 7.783 1.00 53.34 H new ATOM 0 HD2 ARG A 9 12.963 -2.194 7.042 1.00 3.53 H new ATOM 0 HD3 ARG A 9 13.493 -1.935 5.392 1.00 3.53 H new ATOM 0 HE ARG A 9 15.838 -1.944 6.954 1.00 32.12 H new ATOM 0 HH11 ARG A 9 13.171 -4.127 6.188 1.00 3.34 H new ATOM 0 HH12 ARG A 9 14.154 -5.582 6.381 1.00 3.34 H new ATOM 0 HH21 ARG A 9 17.095 -3.818 7.199 1.00 42.32 H new ATOM 0 HH22 ARG A 9 16.366 -5.408 6.951 1.00 42.32 H new ATOM 145 N ALA A 10 13.228 3.609 6.447 1.00 41.54 N ATOM 146 CA ALA A 10 14.179 4.709 6.548 1.00 2.31 C ATOM 147 C ALA A 10 14.082 5.396 7.906 1.00 31.33 C ATOM 148 O ALA A 10 15.094 5.780 8.492 1.00 42.31 O ATOM 149 CB ALA A 10 13.946 5.714 5.429 1.00 21.42 C ATOM 0 H ALA A 10 12.600 3.666 5.645 1.00 41.54 H new ATOM 0 HA ALA A 10 15.183 4.297 6.449 1.00 2.31 H new ATOM 0 HB1 ALA A 10 14.663 6.530 5.517 1.00 21.42 H new ATOM 0 HB2 ALA A 10 14.074 5.221 4.465 1.00 21.42 H new ATOM 0 HB3 ALA A 10 12.934 6.112 5.502 1.00 21.42 H new ATOM 155 N ARG A 11 12.858 5.547 8.401 1.00 32.35 N ATOM 156 CA ARG A 11 12.629 6.189 9.690 1.00 32.32 C ATOM 157 C ARG A 11 13.495 5.555 10.775 1.00 72.11 C ATOM 158 O ARG A 11 14.449 6.165 11.258 1.00 3.41 O ATOM 159 CB ARG A 11 11.152 6.089 10.078 1.00 4.33 C ATOM 160 CG ARG A 11 10.770 6.976 11.252 1.00 41.42 C ATOM 161 CD ARG A 11 9.297 6.834 11.601 1.00 31.11 C ATOM 162 NE ARG A 11 8.687 8.118 11.935 1.00 10.14 N ATOM 163 CZ ARG A 11 7.502 8.238 12.523 1.00 31.15 C ATOM 164 NH1 ARG A 11 6.803 7.157 12.841 1.00 64.30 N ATOM 165 NH2 ARG A 11 7.014 9.441 12.796 1.00 54.33 N ATOM 0 H ARG A 11 12.010 5.234 7.929 1.00 32.35 H new ATOM 0 HA ARG A 11 12.904 7.240 9.598 1.00 32.32 H new ATOM 0 HB2 ARG A 11 10.540 6.357 9.217 1.00 4.33 H new ATOM 0 HB3 ARG A 11 10.919 5.053 10.325 1.00 4.33 H new ATOM 0 HG2 ARG A 11 11.377 6.716 12.119 1.00 41.42 H new ATOM 0 HG3 ARG A 11 10.989 8.016 11.010 1.00 41.42 H new ATOM 0 HD2 ARG A 11 8.766 6.389 10.759 1.00 31.11 H new ATOM 0 HD3 ARG A 11 9.188 6.151 12.444 1.00 31.11 H new ATOM 0 HE ARG A 11 9.199 8.969 11.704 1.00 10.14 H new ATOM 0 HH11 ARG A 11 7.175 6.230 12.634 1.00 64.30 H new ATOM 0 HH12 ARG A 11 5.893 7.252 13.292 1.00 64.30 H new ATOM 0 HH21 ARG A 11 7.549 10.275 12.554 1.00 54.33 H new ATOM 0 HH22 ARG A 11 6.104 9.532 13.248 1.00 54.33 H new ATOM 179 N LEU A 12 13.155 4.328 11.154 1.00 63.35 N ATOM 180 CA LEU A 12 13.901 3.610 12.182 1.00 42.42 C ATOM 181 C LEU A 12 15.389 3.573 11.849 1.00 62.55 C ATOM 182 O LEU A 12 16.237 3.663 12.737 1.00 52.43 O ATOM 183 CB LEU A 12 13.364 2.186 12.330 1.00 74.15 C ATOM 184 CG LEU A 12 11.902 2.062 12.762 1.00 23.41 C ATOM 185 CD1 LEU A 12 11.404 0.639 12.558 1.00 42.35 C ATOM 186 CD2 LEU A 12 11.739 2.482 14.215 1.00 14.14 C ATOM 0 H LEU A 12 12.368 3.809 10.765 1.00 63.35 H new ATOM 0 HA LEU A 12 13.772 4.140 13.126 1.00 42.42 H new ATOM 0 HB2 LEU A 12 13.485 1.672 11.376 1.00 74.15 H new ATOM 0 HB3 LEU A 12 13.983 1.659 13.057 1.00 74.15 H new ATOM 0 HG LEU A 12 11.302 2.728 12.142 1.00 23.41 H new ATOM 0 HD11 LEU A 12 10.362 0.570 12.871 1.00 42.35 H new ATOM 0 HD12 LEU A 12 11.485 0.373 11.504 1.00 42.35 H new ATOM 0 HD13 LEU A 12 12.008 -0.047 13.153 1.00 42.35 H new ATOM 0 HD21 LEU A 12 10.693 2.388 14.506 1.00 14.14 H new ATOM 0 HD22 LEU A 12 12.351 1.841 14.850 1.00 14.14 H new ATOM 0 HD23 LEU A 12 12.056 3.518 14.332 1.00 14.14 H new ATOM 198 N ARG A 13 15.699 3.440 10.563 1.00 22.10 N ATOM 199 CA ARG A 13 17.085 3.391 10.112 1.00 11.33 C ATOM 200 C ARG A 13 17.838 4.650 10.533 1.00 20.24 C ATOM 201 O ARG A 13 18.971 4.577 11.008 1.00 10.42 O ATOM 202 CB ARG A 13 17.144 3.234 8.592 1.00 73.52 C ATOM 203 CG ARG A 13 18.377 2.491 8.104 1.00 74.41 C ATOM 204 CD ARG A 13 19.652 3.245 8.443 1.00 5.23 C ATOM 205 NE ARG A 13 20.636 3.170 7.366 1.00 11.03 N ATOM 206 CZ ARG A 13 21.363 2.088 7.109 1.00 11.41 C ATOM 207 NH1 ARG A 13 21.217 0.997 7.847 1.00 22.32 N ATOM 208 NH2 ARG A 13 22.238 2.097 6.111 1.00 15.33 N ATOM 0 H ARG A 13 15.009 3.364 9.815 1.00 22.10 H new ATOM 0 HA ARG A 13 17.562 2.529 10.578 1.00 11.33 H new ATOM 0 HB2 ARG A 13 16.253 2.703 8.255 1.00 73.52 H new ATOM 0 HB3 ARG A 13 17.120 4.222 8.132 1.00 73.52 H new ATOM 0 HG2 ARG A 13 18.408 1.500 8.556 1.00 74.41 H new ATOM 0 HG3 ARG A 13 18.314 2.348 7.025 1.00 74.41 H new ATOM 0 HD2 ARG A 13 19.413 4.289 8.643 1.00 5.23 H new ATOM 0 HD3 ARG A 13 20.083 2.836 9.357 1.00 5.23 H new ATOM 0 HE ARG A 13 20.772 3.993 6.779 1.00 11.03 H new ATOM 0 HH11 ARG A 13 20.545 0.987 8.614 1.00 22.32 H new ATOM 0 HH12 ARG A 13 21.776 0.168 7.648 1.00 22.32 H new ATOM 0 HH21 ARG A 13 22.353 2.935 5.541 1.00 15.33 H new ATOM 0 HH22 ARG A 13 22.796 1.266 5.914 1.00 15.33 H new ATOM 222 N ALA A 14 17.200 5.802 10.355 1.00 4.12 N ATOM 223 CA ALA A 14 17.809 7.076 10.718 1.00 61.02 C ATOM 224 C ALA A 14 17.769 7.294 12.227 1.00 70.15 C ATOM 225 O ALA A 14 18.773 7.659 12.838 1.00 11.51 O ATOM 226 CB ALA A 14 17.109 8.219 9.999 1.00 54.33 C ATOM 0 H ALA A 14 16.262 5.879 9.962 1.00 4.12 H new ATOM 0 HA ALA A 14 18.854 7.052 10.409 1.00 61.02 H new ATOM 0 HB1 ALA A 14 17.574 9.164 10.279 1.00 54.33 H new ATOM 0 HB2 ALA A 14 17.195 8.078 8.922 1.00 54.33 H new ATOM 0 HB3 ALA A 14 16.056 8.235 10.280 1.00 54.33 H new