USER MOD reduce.3.24.130724 H: found=0, std=0, add=87, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 91 hydrogens (48 hets) ATOM 1 N GLU A 2 -0.398 1.410 1.983 1.00 0.00 N ATOM 2 CA GLU A 2 -1.012 0.703 3.045 1.00 0.00 C ATOM 3 C GLU A 2 -2.159 0.216 2.229 1.00 0.00 C ATOM 4 O GLU A 2 -2.354 0.654 1.090 1.00 0.00 O ATOM 5 CB GLU A 2 -1.488 1.540 4.261 1.00 0.00 C ATOM 6 CG GLU A 2 -2.377 2.754 3.924 1.00 0.00 C ATOM 7 CD GLU A 2 -2.817 3.499 5.188 1.00 0.00 C ATOM 8 OE1 GLU A 2 -3.580 4.491 5.039 1.00 0.00 O ATOM 9 OE2 GLU A 2 -2.406 3.096 6.309 1.00 0.00 O ATOM 0 HA GLU A 2 -0.368 -0.010 3.560 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -2.038 0.886 4.937 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.611 1.893 4.803 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.831 3.435 3.271 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -3.256 2.420 3.373 1.00 0.00 H new ATOM 17 N LEU A 3 -2.932 -0.716 2.771 1.00 0.00 N ATOM 18 CA LEU A 3 -3.964 -1.375 2.037 1.00 0.00 C ATOM 19 C LEU A 3 -5.240 -0.620 2.219 1.00 0.00 C ATOM 20 O LEU A 3 -5.377 0.183 3.142 1.00 0.00 O ATOM 21 CB LEU A 3 -4.211 -2.814 2.523 1.00 0.00 C ATOM 22 CG LEU A 3 -2.982 -3.748 2.409 1.00 0.00 C ATOM 23 CD1 LEU A 3 -3.231 -5.079 3.143 1.00 0.00 C ATOM 24 CD2 LEU A 3 -2.564 -3.995 0.946 1.00 0.00 C ATOM 0 H LEU A 3 -2.847 -1.026 3.739 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.645 -1.410 0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.533 -2.783 3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -5.032 -3.243 1.948 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.150 -3.237 2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.352 -5.717 3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.424 -4.882 4.198 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.093 -5.581 2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.698 -4.656 0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.389 -4.458 0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.309 -3.046 0.475 1.00 0.00 H new HETATM 36 N DLE A 4 -6.223 -0.885 1.334 1.00 0.00 N HETATM 37 CA DLE A 4 -7.601 -0.504 1.537 1.00 0.00 C HETATM 38 CB DLE A 4 -8.575 -1.467 0.808 1.00 0.00 C HETATM 39 CG DLE A 4 -10.069 -1.355 1.211 1.00 0.00 C HETATM 40 CD1 DLE A 4 -10.942 -2.257 0.317 1.00 0.00 C HETATM 41 CD2 DLE A 4 -10.316 -1.662 2.702 1.00 0.00 C HETATM 42 C DLE A 4 -7.801 0.917 1.080 1.00 0.00 C HETATM 43 O DLE A 4 -8.520 1.200 0.127 1.00 0.00 O HETATM 0 HD23 DLE A 4 -9.989 -2.678 2.923 1.00 0.00 H new HETATM 0 HD22 DLE A 4 -9.754 -0.958 3.316 1.00 0.00 H new HETATM 0 HD21 DLE A 4 -11.379 -1.567 2.922 1.00 0.00 H new HETATM 0 HD13 DLE A 4 -10.834 -1.952 -0.724 1.00 0.00 H new HETATM 0 HD12 DLE A 4 -10.624 -3.294 0.426 1.00 0.00 H new HETATM 0 HD11 DLE A 4 -11.986 -2.164 0.616 1.00 0.00 H new HETATM 0 HG DLE A 4 -10.356 -0.315 1.057 1.00 0.00 H new HETATM 0 HB3 DLE A 4 -8.494 -1.291 -0.265 1.00 0.00 H new HETATM 0 HB2 DLE A 4 -8.246 -2.490 0.989 1.00 0.00 H new HETATM 0 HA DLE A 4 -7.827 -0.573 2.601 1.00 0.00 H new HETATM 0 H DLE A 4 -5.998 -1.702 0.766 1.00 0.00 H new ATOM 55 N VAL A 5 -7.141 1.845 1.792 1.00 0.00 N ATOM 56 CA VAL A 5 -7.252 3.266 1.609 1.00 0.00 C ATOM 57 C VAL A 5 -6.420 3.643 0.418 1.00 0.00 C ATOM 58 O VAL A 5 -6.870 4.325 -0.499 1.00 0.00 O ATOM 59 CB VAL A 5 -6.746 4.021 2.841 1.00 0.00 C ATOM 60 CG1 VAL A 5 -7.027 5.533 2.692 1.00 0.00 C ATOM 61 CG2 VAL A 5 -7.433 3.445 4.100 1.00 0.00 C ATOM 0 H VAL A 5 -6.492 1.594 2.538 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.298 3.532 1.458 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.668 3.894 2.939 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.663 6.059 3.574 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.517 5.912 1.807 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.100 5.695 2.590 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.079 3.977 4.983 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.513 3.566 4.013 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.193 2.386 4.193 1.00 0.00 H new ATOM 71 N ASP A 6 -5.153 3.207 0.448 1.00 0.00 N ATOM 72 CA ASP A 6 -4.138 3.686 -0.446 1.00 0.00 C ATOM 73 C ASP A 6 -4.054 2.754 -1.614 1.00 0.00 C ATOM 74 O ASP A 6 -3.942 3.198 -2.754 1.00 0.00 O ATOM 75 CB ASP A 6 -2.784 3.747 0.288 1.00 0.00 C ATOM 76 CG ASP A 6 -2.610 5.097 0.983 1.00 0.00 C ATOM 77 OD1 ASP A 6 -1.630 5.811 0.642 1.00 0.00 O ATOM 78 OD2 ASP A 6 -3.449 5.432 1.862 1.00 0.00 O ATOM 0 H ASP A 6 -4.820 2.504 1.108 1.00 0.00 H new ATOM 0 HA ASP A 6 -4.386 4.688 -0.795 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -2.726 2.944 1.022 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.972 3.590 -0.422 1.00 0.00 H new HETATM 84 N DLE A 7 -4.111 1.432 -1.365 1.00 0.00 N HETATM 85 CA DLE A 7 -4.185 0.460 -2.424 1.00 0.00 C HETATM 86 CB DLE A 7 -5.614 -0.104 -2.648 1.00 0.00 C HETATM 87 CG DLE A 7 -6.640 0.923 -3.191 1.00 0.00 C HETATM 88 CD1 DLE A 7 -6.259 1.469 -4.582 1.00 0.00 C HETATM 89 CD2 DLE A 7 -8.059 0.325 -3.212 1.00 0.00 C HETATM 90 C DLE A 7 -3.308 -0.664 -1.982 1.00 0.00 C HETATM 91 O DLE A 7 -3.760 -1.550 -1.264 1.00 0.00 O HETATM 0 HD23 DLE A 7 -8.073 -0.556 -3.854 1.00 0.00 H new HETATM 0 HD22 DLE A 7 -8.350 0.042 -2.200 1.00 0.00 H new HETATM 0 HD21 DLE A 7 -8.760 1.065 -3.597 1.00 0.00 H new HETATM 0 HD13 DLE A 7 -5.290 1.965 -4.525 1.00 0.00 H new HETATM 0 HD12 DLE A 7 -6.204 0.645 -5.294 1.00 0.00 H new HETATM 0 HD11 DLE A 7 -7.013 2.183 -4.912 1.00 0.00 H new HETATM 0 HG DLE A 7 -6.625 1.769 -2.504 1.00 0.00 H new HETATM 0 HB3 DLE A 7 -5.554 -0.940 -3.345 1.00 0.00 H new HETATM 0 HB2 DLE A 7 -5.985 -0.502 -1.703 1.00 0.00 H new HETATM 0 HA DLE A 7 -3.887 0.927 -3.363 1.00 0.00 H new ATOM 103 N LEU A 8 -2.030 -0.653 -2.413 1.00 0.00 N ATOM 104 CA LEU A 8 -1.021 -1.593 -1.984 1.00 0.00 C ATOM 105 C LEU A 8 -0.196 -1.036 -0.844 1.00 0.00 C ATOM 106 O LEU A 8 0.128 -1.762 0.097 1.00 0.00 O ATOM 107 CB LEU A 8 -0.089 -2.110 -3.113 1.00 0.00 C ATOM 108 CG LEU A 8 0.602 -1.052 -4.012 1.00 0.00 C ATOM 109 CD1 LEU A 8 1.956 -1.577 -4.530 1.00 0.00 C ATOM 110 CD2 LEU A 8 -0.272 -0.593 -5.197 1.00 0.00 C ATOM 0 H LEU A 8 -1.682 0.032 -3.084 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.586 -2.460 -1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.688 -2.721 -2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.673 -2.768 -3.756 1.00 0.00 H new ATOM 0 HG LEU A 8 0.763 -0.179 -3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.424 -0.819 -5.159 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.607 -1.800 -3.685 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.796 -2.484 -5.113 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.271 0.147 -5.785 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.512 -1.451 -5.826 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.194 -0.150 -4.819 1.00 0.00 H new TER 122 LEU A 8 HETATM 123 C BFC A 1 0.924 1.417 1.744 1.00 0.00 C HETATM 124 O BFC A 1 1.745 1.069 2.588 1.00 0.00 O HETATM 125 CA BFC A 1 1.361 1.851 0.373 1.00 0.00 C HETATM 126 CB BFC A 1 0.279 1.576 -0.718 1.00 0.00 C HETATM 127 OB BFC A 1 0.103 0.211 -0.973 1.00 0.00 O HETATM 128 CC BFC A 1 0.705 2.350 -1.990 1.00 0.00 C HETATM 129 CD BFC A 1 -0.447 2.541 -2.985 1.00 0.00 C HETATM 130 CE BFC A 1 -0.087 3.360 -4.230 1.00 0.00 C HETATM 131 CF BFC A 1 -1.327 3.623 -5.096 1.00 0.00 C HETATM 132 CG BFC A 1 -1.036 4.465 -6.348 1.00 0.00 C HETATM 133 CH BFC A 1 -2.286 4.776 -7.187 1.00 0.00 C HETATM 134 CI BFC A 1 -3.291 5.700 -6.483 1.00 0.00 C HETATM 135 CJ BFC A 1 -4.532 6.014 -7.331 1.00 0.00 C HETATM 136 CK BFC A 1 -5.553 6.883 -6.579 1.00 0.00 C HETATM 137 CL BFC A 1 -6.859 7.132 -7.354 1.00 0.00 C HETATM 138 CM BFC A 1 -6.701 7.964 -8.631 1.00 0.00 C HETATM 0 HM3 BFC A 1 -6.294 8.943 -8.379 1.00 0.00 H new HETATM 0 HM2 BFC A 1 -6.023 7.455 -9.315 1.00 0.00 H new HETATM 0 HM1 BFC A 1 -7.673 8.087 -9.108 1.00 0.00 H new HETATM 0 HL2 BFC A 1 -7.298 6.170 -7.617 1.00 0.00 H new HETATM 0 HL1 BFC A 1 -7.566 7.636 -6.694 1.00 0.00 H new HETATM 0 HK2 BFC A 1 -5.792 6.404 -5.630 1.00 0.00 H new HETATM 0 HK1 BFC A 1 -5.094 7.843 -6.344 1.00 0.00 H new HETATM 0 HJ2 BFC A 1 -4.225 6.526 -8.243 1.00 0.00 H new HETATM 0 HJ1 BFC A 1 -5.007 5.081 -7.634 1.00 0.00 H new HETATM 0 HI2 BFC A 1 -3.607 5.236 -5.549 1.00 0.00 H new HETATM 0 HI1 BFC A 1 -2.793 6.634 -6.222 1.00 0.00 H new HETATM 0 HH2 BFC A 1 -1.977 5.238 -8.125 1.00 0.00 H new HETATM 0 HH1 BFC A 1 -2.784 3.840 -7.441 1.00 0.00 H new HETATM 0 HG2 BFC A 1 -0.570 5.403 -6.044 1.00 0.00 H new HETATM 0 HG1 BFC A 1 -0.313 3.937 -6.970 1.00 0.00 H new HETATM 0 HF2 BFC A 1 -1.755 2.668 -5.402 1.00 0.00 H new HETATM 0 HF1 BFC A 1 -2.080 4.131 -4.493 1.00 0.00 H new HETATM 0 HE2 BFC A 1 0.358 4.308 -3.929 1.00 0.00 H new HETATM 0 HE1 BFC A 1 0.663 2.828 -4.815 1.00 0.00 H new HETATM 0 HD2 BFC A 1 -0.802 1.560 -3.302 1.00 0.00 H new HETATM 0 HD1 BFC A 1 -1.275 3.030 -2.472 1.00 0.00 H new HETATM 0 HC2 BFC A 1 1.095 3.326 -1.702 1.00 0.00 H new HETATM 0 HC1 BFC A 1 1.517 1.814 -2.481 1.00 0.00 H new HETATM 0 HB BFC A 1 -0.693 1.921 -0.367 1.00 0.00 H new HETATM 0 HA2 BFC A 1 1.592 2.916 0.390 1.00 0.00 H new HETATM 0 HA1 BFC A 1 2.280 1.330 0.107 1.00 0.00 H new