USER MOD reduce.3.24.130724 H: found=0, std=0, add=128, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 129 hydrogens (0 hets) ATOM 27 N ARG A 2 -6.520 0.177 0.819 1.00 0.00 N ATOM 28 CA ARG A 2 -5.268 -0.005 0.090 1.00 0.00 C ATOM 29 C ARG A 2 -4.663 1.340 -0.305 1.00 0.00 C ATOM 30 O ARG A 2 -4.166 1.506 -1.419 1.00 0.00 O ATOM 31 CB ARG A 2 -5.498 -0.860 -1.160 1.00 0.00 C ATOM 32 CG ARG A 2 -6.471 -2.011 -0.948 1.00 0.00 C ATOM 33 CD ARG A 2 -7.916 -1.550 -1.066 1.00 0.00 C ATOM 34 NE ARG A 2 -8.670 -2.346 -2.032 1.00 0.00 N ATOM 35 CZ ARG A 2 -8.593 -2.182 -3.351 1.00 0.00 C ATOM 36 NH1 ARG A 2 -7.786 -1.265 -3.868 1.00 0.00 N ATOM 37 NH2 ARG A 2 -9.326 -2.939 -4.157 1.00 0.00 N ATOM 0 HA ARG A 2 -4.568 -0.518 0.749 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.873 -0.222 -1.961 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -4.542 -1.262 -1.494 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -6.277 -2.793 -1.682 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.308 -2.450 0.036 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -8.397 -1.614 -0.090 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -7.938 -0.502 -1.364 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.293 -3.071 -1.674 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.219 -0.680 -3.254 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.732 -1.145 -4.879 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -9.948 -3.646 -3.766 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -9.267 -2.814 -5.168 1.00 0.00 H new ATOM 51 N LEU A 3 -4.693 2.291 0.622 1.00 0.00 N ATOM 52 CA LEU A 3 -4.129 3.615 0.378 1.00 0.00 C ATOM 53 C LEU A 3 -2.639 3.591 0.674 1.00 0.00 C ATOM 54 O LEU A 3 -1.811 3.956 -0.159 1.00 0.00 O ATOM 55 CB LEU A 3 -4.832 4.675 1.235 1.00 0.00 C ATOM 56 CG LEU A 3 -5.239 4.230 2.644 1.00 0.00 C ATOM 57 CD1 LEU A 3 -5.155 5.399 3.614 1.00 0.00 C ATOM 58 CD2 LEU A 3 -6.643 3.640 2.636 1.00 0.00 C ATOM 0 H LEU A 3 -5.101 2.171 1.549 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.283 3.878 -0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.173 5.539 1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -5.726 5.008 0.707 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.546 3.456 2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.447 5.067 4.610 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.132 5.776 3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.825 6.193 3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.913 3.330 3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.351 4.391 2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.671 2.776 1.972 1.00 0.00 H new ATOM 70 N ILE A 4 -2.322 3.115 1.866 1.00 0.00 N ATOM 71 CA ILE A 4 -0.951 2.972 2.320 1.00 0.00 C ATOM 72 C ILE A 4 -0.310 1.761 1.673 1.00 0.00 C ATOM 73 O ILE A 4 0.902 1.588 1.702 1.00 0.00 O ATOM 74 CB ILE A 4 -0.869 2.835 3.854 1.00 0.00 C ATOM 75 CG1 ILE A 4 -1.699 1.638 4.324 1.00 0.00 C ATOM 76 CG2 ILE A 4 -1.345 4.114 4.528 1.00 0.00 C ATOM 77 CD1 ILE A 4 -1.285 1.108 5.679 1.00 0.00 C ATOM 0 H ILE A 4 -3.016 2.815 2.551 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.415 3.875 2.028 1.00 0.00 H new ATOM 0 HB ILE A 4 0.171 2.667 4.134 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.749 1.927 4.362 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.615 0.837 3.589 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.281 4.001 5.610 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.717 4.947 4.213 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.379 4.312 4.245 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.917 0.261 5.947 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.244 0.787 5.642 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.396 1.894 6.426 1.00 0.00 H new ATOM 89 N ARG A 5 -1.174 0.918 1.147 1.00 0.00 N ATOM 90 CA ARG A 5 -0.810 -0.344 0.525 1.00 0.00 C ATOM 91 C ARG A 5 -0.208 -0.189 -0.829 1.00 0.00 C ATOM 92 O ARG A 5 0.969 -0.475 -0.996 1.00 0.00 O ATOM 93 CB ARG A 5 -2.048 -1.195 0.470 1.00 0.00 C ATOM 94 CG ARG A 5 -2.489 -1.469 1.867 1.00 0.00 C ATOM 95 CD ARG A 5 -1.451 -2.351 2.521 1.00 0.00 C ATOM 96 NE ARG A 5 -1.999 -3.636 2.952 1.00 0.00 N ATOM 97 CZ ARG A 5 -1.434 -4.412 3.875 1.00 0.00 C ATOM 98 NH1 ARG A 5 -0.306 -4.038 4.467 1.00 0.00 N ATOM 99 NH2 ARG A 5 -1.998 -5.566 4.209 1.00 0.00 N ATOM 0 H ARG A 5 -2.179 1.094 1.139 1.00 0.00 H new ATOM 0 HA ARG A 5 -0.032 -0.816 1.126 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.836 -0.684 -0.084 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -1.844 -2.129 -0.054 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -2.600 -0.537 2.421 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -3.462 -1.960 1.870 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.634 -2.525 1.821 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.029 -1.833 3.382 1.00 0.00 H new ATOM 0 HE ARG A 5 -2.865 -3.957 2.520 1.00 0.00 H new ATOM 0 HH11 ARG A 5 0.132 -3.152 4.216 1.00 0.00 H new ATOM 0 HH12 ARG A 5 0.122 -4.637 5.173 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -2.865 -5.859 3.759 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -1.564 -6.160 4.916 1.00 0.00 H new ATOM 113 N LEU A 6 -0.964 0.324 -1.789 1.00 0.00 N ATOM 114 CA LEU A 6 -0.400 0.563 -3.108 1.00 0.00 C ATOM 115 C LEU A 6 0.939 1.250 -2.913 1.00 0.00 C ATOM 116 O LEU A 6 1.797 1.274 -3.796 1.00 0.00 O ATOM 117 CB LEU A 6 -1.337 1.417 -3.970 1.00 0.00 C ATOM 118 CG LEU A 6 -2.042 0.671 -5.105 1.00 0.00 C ATOM 119 CD1 LEU A 6 -1.045 0.259 -6.176 1.00 0.00 C ATOM 120 CD2 LEU A 6 -2.781 -0.545 -4.567 1.00 0.00 C ATOM 0 H LEU A 6 -1.946 0.577 -1.684 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.270 -0.381 -3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.094 1.861 -3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.762 2.238 -4.399 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.771 1.344 -5.556 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.566 -0.270 -6.974 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.562 1.147 -6.584 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.291 -0.396 -5.739 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.276 -1.063 -5.389 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.071 -1.220 -4.088 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.526 -0.225 -3.838 1.00 0.00 H new ATOM 132 N ILE A 7 1.091 1.791 -1.708 1.00 0.00 N ATOM 133 CA ILE A 7 2.266 2.462 -1.297 1.00 0.00 C ATOM 134 C ILE A 7 3.182 1.489 -0.631 1.00 0.00 C ATOM 135 O ILE A 7 4.366 1.390 -0.942 1.00 0.00 O ATOM 136 CB ILE A 7 1.866 3.609 -0.340 1.00 0.00 C ATOM 137 CG1 ILE A 7 1.480 4.853 -1.142 1.00 0.00 C ATOM 138 CG2 ILE A 7 2.983 3.934 0.645 1.00 0.00 C ATOM 139 CD1 ILE A 7 0.175 4.705 -1.894 1.00 0.00 C ATOM 0 H ILE A 7 0.367 1.761 -0.990 1.00 0.00 H new ATOM 0 HA ILE A 7 2.792 2.887 -2.152 1.00 0.00 H new ATOM 0 HB ILE A 7 1.004 3.277 0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.405 5.704 -0.465 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.276 5.079 -1.852 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.665 4.745 1.301 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.209 3.051 1.243 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.874 4.239 0.097 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.036 5.624 -2.440 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.252 3.875 -2.596 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.632 4.509 -1.188 1.00 0.00 H new ATOM 151 N LEU A 8 2.590 0.747 0.250 1.00 0.00 N ATOM 152 CA LEU A 8 3.264 -0.279 0.980 1.00 0.00 C ATOM 153 C LEU A 8 3.829 -1.327 0.054 1.00 0.00 C ATOM 154 O LEU A 8 4.645 -2.167 0.433 1.00 0.00 O ATOM 155 CB LEU A 8 2.261 -0.884 1.925 1.00 0.00 C ATOM 156 CG LEU A 8 2.793 -1.322 3.288 1.00 0.00 C ATOM 157 CD1 LEU A 8 3.666 -2.560 3.149 1.00 0.00 C ATOM 158 CD2 LEU A 8 3.565 -0.191 3.947 1.00 0.00 C ATOM 0 H LEU A 8 1.602 0.840 0.487 1.00 0.00 H new ATOM 0 HA LEU A 8 4.108 0.139 1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.463 -0.160 2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.812 -1.750 1.439 1.00 0.00 H new ATOM 0 HG LEU A 8 1.944 -1.573 3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.036 -2.857 4.131 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.079 -3.373 2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.510 -2.339 2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.937 -0.521 4.917 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.406 0.093 3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.907 0.667 4.083 1.00 0.00 H new ATOM 170 N ARG A 9 3.341 -1.265 -1.148 1.00 0.00 N ATOM 171 CA ARG A 9 3.691 -2.169 -2.198 1.00 0.00 C ATOM 172 C ARG A 9 5.035 -1.824 -2.826 1.00 0.00 C ATOM 173 O ARG A 9 5.898 -2.687 -2.987 1.00 0.00 O ATOM 174 CB ARG A 9 2.573 -2.028 -3.181 1.00 0.00 C ATOM 175 CG ARG A 9 1.224 -2.383 -2.578 1.00 0.00 C ATOM 176 CD ARG A 9 1.189 -3.830 -2.111 1.00 0.00 C ATOM 177 NE ARG A 9 1.690 -4.747 -3.133 1.00 0.00 N ATOM 178 CZ ARG A 9 1.029 -5.043 -4.251 1.00 0.00 C ATOM 179 NH1 ARG A 9 -0.161 -4.504 -4.489 1.00 0.00 N ATOM 180 NH2 ARG A 9 1.557 -5.881 -5.132 1.00 0.00 N ATOM 0 H ARG A 9 2.664 -0.557 -1.433 1.00 0.00 H new ATOM 0 HA ARG A 9 3.809 -3.191 -1.839 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.545 -1.003 -3.550 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.765 -2.671 -4.040 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.015 -1.722 -1.737 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.439 -2.218 -3.316 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.788 -3.934 -1.206 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.166 -4.102 -1.850 1.00 0.00 H new ATOM 0 HE ARG A 9 2.598 -5.186 -2.981 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.573 -3.860 -3.814 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.663 -4.734 -5.347 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.470 -6.300 -4.954 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.050 -6.107 -5.988 1.00 0.00 H new ATOM 194 N LEU A 10 5.220 -0.551 -3.134 1.00 0.00 N ATOM 195 CA LEU A 10 6.481 -0.079 -3.694 1.00 0.00 C ATOM 196 C LEU A 10 7.421 0.179 -2.535 1.00 0.00 C ATOM 197 O LEU A 10 8.645 0.115 -2.654 1.00 0.00 O ATOM 198 CB LEU A 10 6.275 1.199 -4.513 1.00 0.00 C ATOM 199 CG LEU A 10 5.335 1.058 -5.712 1.00 0.00 C ATOM 200 CD1 LEU A 10 5.222 2.377 -6.460 1.00 0.00 C ATOM 201 CD2 LEU A 10 5.821 -0.043 -6.642 1.00 0.00 C ATOM 0 H LEU A 10 4.515 0.175 -3.007 1.00 0.00 H new ATOM 0 HA LEU A 10 6.897 -0.827 -4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.885 1.975 -3.854 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.245 1.543 -4.871 1.00 0.00 H new ATOM 0 HG LEU A 10 4.346 0.787 -5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.549 2.257 -7.309 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.829 3.142 -5.791 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.207 2.678 -6.817 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.141 -0.130 -7.489 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.821 0.200 -7.002 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.850 -0.989 -6.102 1.00 0.00 H new ATOM 213 N LEU A 11 6.791 0.447 -1.402 1.00 0.00 N ATOM 214 CA LEU A 11 7.463 0.701 -0.152 1.00 0.00 C ATOM 215 C LEU A 11 8.063 -0.585 0.388 1.00 0.00 C ATOM 216 O LEU A 11 9.201 -0.611 0.858 1.00 0.00 O ATOM 217 CB LEU A 11 6.423 1.231 0.827 1.00 0.00 C ATOM 218 CG LEU A 11 6.120 2.728 0.739 1.00 0.00 C ATOM 219 CD1 LEU A 11 5.523 3.225 2.045 1.00 0.00 C ATOM 220 CD2 LEU A 11 7.369 3.527 0.390 1.00 0.00 C ATOM 0 H LEU A 11 5.774 0.493 -1.332 1.00 0.00 H new ATOM 0 HA LEU A 11 8.268 1.422 -0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.494 0.683 0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.759 1.008 1.840 1.00 0.00 H new ATOM 0 HG LEU A 11 5.394 2.875 -0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.313 4.292 1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.597 2.687 2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.230 3.053 2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.120 4.587 0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.127 3.372 1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.756 3.195 -0.573 1.00 0.00 H new ATOM 232 N ARG A 12 7.275 -1.655 0.318 1.00 0.00 N ATOM 233 CA ARG A 12 7.709 -2.965 0.801 1.00 0.00 C ATOM 234 C ARG A 12 7.710 -3.008 2.327 1.00 0.00 C ATOM 235 O ARG A 12 7.881 -1.938 2.949 1.00 0.00 O ATOM 236 CB ARG A 12 9.107 -3.298 0.270 1.00 0.00 C ATOM 237 CG ARG A 12 9.244 -4.727 -0.231 1.00 0.00 C ATOM 238 CD ARG A 12 10.043 -4.795 -1.524 1.00 0.00 C ATOM 239 NE ARG A 12 9.341 -4.159 -2.637 1.00 0.00 N ATOM 240 CZ ARG A 12 9.575 -2.917 -3.058 1.00 0.00 C ATOM 241 NH1 ARG A 12 10.497 -2.164 -2.469 1.00 0.00 N ATOM 242 NH2 ARG A 12 8.881 -2.424 -4.075 1.00 0.00 N ATOM 243 OXT ARG A 12 7.539 -4.112 2.887 1.00 0.00 O ATOM 0 H ARG A 12 6.331 -1.641 -0.069 1.00 0.00 H new ATOM 0 HA ARG A 12 7.004 -3.709 0.432 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.351 -2.612 -0.542 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.837 -3.128 1.061 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.732 -5.335 0.531 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.254 -5.153 -0.392 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.008 -4.309 -1.379 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.245 -5.837 -1.771 1.00 0.00 H new ATOM 0 HE ARG A 12 8.626 -4.701 -3.123 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.035 -2.535 -1.686 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.668 -1.214 -2.800 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.171 -2.995 -4.532 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.058 -1.473 -4.400 1.00 0.00 H new