USER MOD reduce.3.24.130724 H: found=0, std=0, add=163, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 164 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 60 THR OG1 : rot -31:sc= 0.11 USER MOD Single : A 68 GLN : amide:sc= -8.04! C(o=-8!,f=-6!) USER MOD Single : A 71 CYS SG : rot 81:sc= -0.1 USER MOD ----------------------------------------------------------------- ATOM 15 N THR A 60 -6.634 -1.086 3.879 1.00 0.00 N ATOM 16 CA THR A 60 -7.004 -0.048 2.923 1.00 0.00 C ATOM 17 C THR A 60 -6.759 -0.531 1.505 1.00 0.00 C ATOM 18 O THR A 60 -5.819 -1.277 1.251 1.00 0.00 O ATOM 19 CB THR A 60 -6.177 1.212 3.185 1.00 0.00 C ATOM 20 OG1 THR A 60 -4.796 0.902 3.061 1.00 0.00 O ATOM 21 CG2 THR A 60 -6.461 1.735 4.596 1.00 0.00 C ATOM 0 HA THR A 60 -8.063 0.180 3.042 1.00 0.00 H new ATOM 0 HB THR A 60 -6.446 1.979 2.459 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.645 -0.029 3.326 1.00 0.00 H new ATOM 0 HG21 THR A 60 -5.869 2.632 4.777 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.520 1.974 4.689 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.196 0.972 5.327 1.00 0.00 H new ATOM 29 N LEU A 61 -7.627 -0.104 0.597 1.00 0.00 N ATOM 30 CA LEU A 61 -7.538 -0.490 -0.810 1.00 0.00 C ATOM 31 C LEU A 61 -7.836 -1.974 -0.954 1.00 0.00 C ATOM 32 O LEU A 61 -7.881 -2.519 -2.057 1.00 0.00 O ATOM 33 CB LEU A 61 -6.151 -0.176 -1.386 1.00 0.00 C ATOM 34 CG LEU A 61 -5.746 1.255 -1.019 1.00 0.00 C ATOM 35 CD1 LEU A 61 -4.374 1.565 -1.624 1.00 0.00 C ATOM 36 CD2 LEU A 61 -6.786 2.245 -1.560 1.00 0.00 C ATOM 0 H LEU A 61 -8.409 0.516 0.810 1.00 0.00 H new ATOM 0 HA LEU A 61 -8.274 0.087 -1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.418 -0.882 -0.997 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.162 -0.293 -2.470 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.695 1.350 0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.083 2.583 -1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.636 0.866 -1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.424 1.468 -2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.493 3.261 -1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.845 2.154 -2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.760 2.024 -1.124 1.00 0.00 H new ATOM 48 N LEU A 62 -8.064 -2.606 0.186 1.00 0.00 N ATOM 49 CA LEU A 62 -8.393 -4.018 0.250 1.00 0.00 C ATOM 50 C LEU A 62 -8.935 -4.286 1.643 1.00 0.00 C ATOM 51 O LEU A 62 -8.365 -5.044 2.427 1.00 0.00 O ATOM 52 CB LEU A 62 -7.172 -4.915 -0.041 1.00 0.00 C ATOM 53 CG LEU A 62 -5.878 -4.246 0.430 1.00 0.00 C ATOM 54 CD1 LEU A 62 -5.825 -4.211 1.959 1.00 0.00 C ATOM 55 CD2 LEU A 62 -4.687 -5.046 -0.092 1.00 0.00 C ATOM 0 H LEU A 62 -8.025 -2.150 1.097 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.132 -4.258 -0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.293 -5.875 0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.112 -5.119 -1.110 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.845 -3.225 0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.900 -3.733 2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.676 -3.647 2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.861 -5.229 2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.760 -4.577 0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.736 -6.064 0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.713 -5.069 -1.181 1.00 0.00 H new ATOM 67 N GLY A 63 -10.030 -3.611 1.938 1.00 0.00 N ATOM 68 CA GLY A 63 -10.673 -3.707 3.244 1.00 0.00 C ATOM 69 C GLY A 63 -11.448 -2.429 3.562 1.00 0.00 C ATOM 70 O GLY A 63 -12.150 -2.352 4.570 1.00 0.00 O ATOM 0 H GLY A 63 -10.500 -2.983 1.286 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.350 -4.561 3.259 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.921 -3.882 4.013 1.00 0.00 H new ATOM 74 N ARG A 64 -11.324 -1.427 2.687 1.00 0.00 N ATOM 75 CA ARG A 64 -12.019 -0.154 2.856 1.00 0.00 C ATOM 76 C ARG A 64 -12.821 0.172 1.598 1.00 0.00 C ATOM 77 O ARG A 64 -13.512 1.190 1.546 1.00 0.00 O ATOM 78 CB ARG A 64 -11.008 0.964 3.127 1.00 0.00 C ATOM 79 CG ARG A 64 -10.480 0.843 4.566 1.00 0.00 C ATOM 80 CD ARG A 64 -11.490 1.425 5.579 1.00 0.00 C ATOM 81 NE ARG A 64 -11.672 0.479 6.672 1.00 0.00 N ATOM 82 CZ ARG A 64 -12.053 0.879 7.883 1.00 0.00 C ATOM 83 NH1 ARG A 64 -12.271 2.144 8.115 1.00 0.00 N ATOM 84 NH2 ARG A 64 -12.212 0.003 8.838 1.00 0.00 N ATOM 0 H ARG A 64 -10.744 -1.477 1.850 1.00 0.00 H new ATOM 0 HA ARG A 64 -12.699 -0.234 3.704 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -10.182 0.901 2.419 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -11.478 1.937 2.982 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.288 -0.204 4.800 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.529 1.368 4.653 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.129 2.379 5.964 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -12.444 1.620 5.089 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.504 -0.513 6.505 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.150 2.828 7.368 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.563 2.449 9.043 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.044 -0.986 8.656 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.504 0.308 9.766 1.00 0.00 H new ATOM 98 N ILE A 65 -12.725 -0.698 0.573 1.00 0.00 N ATOM 99 CA ILE A 65 -13.450 -0.477 -0.678 1.00 0.00 C ATOM 100 C ILE A 65 -14.277 -1.701 -1.101 1.00 0.00 C ATOM 101 O ILE A 65 -15.503 -1.621 -1.152 1.00 0.00 O ATOM 102 CB ILE A 65 -12.465 -0.113 -1.790 1.00 0.00 C ATOM 103 CG1 ILE A 65 -11.479 0.940 -1.280 1.00 0.00 C ATOM 104 CG2 ILE A 65 -13.230 0.466 -2.985 1.00 0.00 C ATOM 105 CD1 ILE A 65 -10.475 1.253 -2.384 1.00 0.00 C ATOM 0 H ILE A 65 -12.159 -1.546 0.592 1.00 0.00 H new ATOM 0 HA ILE A 65 -14.146 0.344 -0.508 1.00 0.00 H new ATOM 0 HB ILE A 65 -11.925 -1.010 -2.094 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -12.012 1.845 -0.988 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -10.962 0.574 -0.393 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -12.527 0.725 -3.776 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -13.938 -0.274 -3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -13.770 1.360 -2.673 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -9.767 2.003 -2.030 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -9.936 0.345 -2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -11.003 1.635 -3.258 1.00 0.00 H new ATOM 117 N LEU A 66 -13.617 -2.831 -1.416 1.00 0.00 N ATOM 118 CA LEU A 66 -14.348 -4.042 -1.846 1.00 0.00 C ATOM 119 C LEU A 66 -14.451 -5.056 -0.705 1.00 0.00 C ATOM 120 O LEU A 66 -15.556 -5.486 -0.373 1.00 0.00 O ATOM 121 CB LEU A 66 -13.712 -4.705 -3.109 1.00 0.00 C ATOM 122 CG LEU A 66 -12.765 -3.727 -3.823 1.00 0.00 C ATOM 123 CD1 LEU A 66 -12.002 -4.473 -4.920 1.00 0.00 C ATOM 124 CD2 LEU A 66 -13.582 -2.589 -4.449 1.00 0.00 C ATOM 0 H LEU A 66 -12.603 -2.933 -1.383 1.00 0.00 H new ATOM 0 HA LEU A 66 -15.352 -3.719 -2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.164 -5.601 -2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.499 -5.021 -3.794 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.058 -3.312 -3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.329 -3.783 -5.429 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.423 -5.282 -4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.710 -4.886 -5.639 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -12.911 -1.895 -4.955 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -14.288 -3.002 -5.169 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -14.128 -2.060 -3.668 1.00 0.00 H new ATOM 136 N PRO A 67 -13.357 -5.458 -0.092 1.00 0.00 N ATOM 137 CA PRO A 67 -13.405 -6.443 1.019 1.00 0.00 C ATOM 138 C PRO A 67 -13.939 -5.794 2.288 1.00 0.00 C ATOM 139 O PRO A 67 -14.251 -6.475 3.263 1.00 0.00 O ATOM 140 CB PRO A 67 -11.939 -6.917 1.178 1.00 0.00 C ATOM 141 CG PRO A 67 -11.210 -6.329 0.009 1.00 0.00 C ATOM 142 CD PRO A 67 -11.966 -5.050 -0.338 1.00 0.00 C ATOM 0 HA PRO A 67 -14.075 -7.279 0.818 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.514 -6.574 2.121 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -11.874 -8.005 1.176 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.171 -6.115 0.261 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.198 -7.019 -0.834 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.666 -4.212 0.292 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.804 -4.745 -1.372 1.00 0.00 H new ATOM 150 N GLN A 68 -14.037 -4.463 2.275 1.00 0.00 N ATOM 151 CA GLN A 68 -14.530 -3.764 3.442 1.00 0.00 C ATOM 152 C GLN A 68 -15.899 -4.306 3.791 1.00 0.00 C ATOM 153 O GLN A 68 -16.378 -4.185 4.918 1.00 0.00 O ATOM 154 CB GLN A 68 -14.617 -2.259 3.154 1.00 0.00 C ATOM 155 CG GLN A 68 -15.908 -1.884 2.396 1.00 0.00 C ATOM 156 CD GLN A 68 -15.957 -0.379 2.192 1.00 0.00 C ATOM 157 OE1 GLN A 68 -15.786 0.109 1.076 1.00 0.00 O ATOM 158 NE2 GLN A 68 -16.183 0.392 3.220 1.00 0.00 N ATOM 0 H GLN A 68 -13.786 -3.868 1.485 1.00 0.00 H new ATOM 0 HA GLN A 68 -13.849 -3.917 4.279 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -14.576 -1.708 4.094 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.751 -1.952 2.567 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -15.938 -2.393 1.433 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -16.781 -2.214 2.958 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -16.324 -0.018 4.143 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -16.219 1.404 3.100 1.00 0.00 H new ATOM 167 N LEU A 69 -16.523 -4.878 2.778 1.00 0.00 N ATOM 168 CA LEU A 69 -17.855 -5.422 2.923 1.00 0.00 C ATOM 169 C LEU A 69 -17.828 -6.504 3.975 1.00 0.00 C ATOM 170 O LEU A 69 -18.732 -6.614 4.790 1.00 0.00 O ATOM 171 CB LEU A 69 -18.322 -6.013 1.590 1.00 0.00 C ATOM 172 CG LEU A 69 -18.497 -4.897 0.550 1.00 0.00 C ATOM 173 CD1 LEU A 69 -18.778 -5.531 -0.817 1.00 0.00 C ATOM 174 CD2 LEU A 69 -19.662 -3.972 0.944 1.00 0.00 C ATOM 0 H LEU A 69 -16.125 -4.977 1.844 1.00 0.00 H new ATOM 0 HA LEU A 69 -18.544 -4.632 3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -17.596 -6.743 1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -19.265 -6.543 1.729 1.00 0.00 H new ATOM 0 HG LEU A 69 -17.585 -4.302 0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -18.904 -4.746 -1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -17.942 -6.170 -1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -19.688 -6.128 -0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -19.772 -3.187 0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -20.584 -4.551 1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -19.457 -3.522 1.915 1.00 0.00 H new ATOM 186 N VAL A 70 -16.765 -7.288 3.964 1.00 0.00 N ATOM 187 CA VAL A 70 -16.610 -8.355 4.945 1.00 0.00 C ATOM 188 C VAL A 70 -15.754 -7.865 6.105 1.00 0.00 C ATOM 189 O VAL A 70 -14.980 -8.625 6.685 1.00 0.00 O ATOM 190 CB VAL A 70 -15.969 -9.591 4.305 1.00 0.00 C ATOM 191 CG1 VAL A 70 -16.930 -10.186 3.273 1.00 0.00 C ATOM 192 CG2 VAL A 70 -14.658 -9.209 3.613 1.00 0.00 C ATOM 0 H VAL A 70 -16.000 -7.210 3.294 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.596 -8.634 5.316 1.00 0.00 H new ATOM 0 HB VAL A 70 -15.760 -10.324 5.084 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -16.475 -11.065 2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -17.860 -10.472 3.764 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -17.140 -9.445 2.502 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -14.213 -10.096 3.162 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -14.858 -8.469 2.838 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -13.969 -8.789 4.346 1.00 0.00 H new ATOM 202 N CYS A 71 -15.897 -6.578 6.434 1.00 0.00 N ATOM 203 CA CYS A 71 -15.133 -5.976 7.528 1.00 0.00 C ATOM 204 C CYS A 71 -16.038 -5.120 8.404 1.00 0.00 C ATOM 205 O CYS A 71 -15.989 -5.201 9.630 1.00 0.00 O ATOM 206 CB CYS A 71 -14.012 -5.105 6.964 1.00 0.00 C ATOM 207 SG CYS A 71 -13.066 -6.050 5.744 1.00 0.00 S ATOM 0 H CYS A 71 -16.532 -5.936 5.960 1.00 0.00 H new ATOM 0 HA CYS A 71 -14.707 -6.779 8.130 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -14.430 -4.211 6.502 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -13.357 -4.772 7.769 1.00 0.00 H new ATOM 0 HG CYS A 71 -13.700 -6.051 4.609 1.00 0.00 H new ATOM 213 N ARG A 72 -16.863 -4.290 7.765 1.00 0.00 N ATOM 214 CA ARG A 72 -17.776 -3.412 8.498 1.00 0.00 C ATOM 215 C ARG A 72 -19.184 -4.006 8.526 1.00 0.00 C ATOM 216 O ARG A 72 -20.052 -3.502 9.239 1.00 0.00 O ATOM 217 CB ARG A 72 -17.809 -2.011 7.840 1.00 0.00 C ATOM 218 CG ARG A 72 -16.759 -1.083 8.479 1.00 0.00 C ATOM 219 CD ARG A 72 -15.366 -1.468 7.988 1.00 0.00 C ATOM 220 NE ARG A 72 -15.186 -1.020 6.614 1.00 0.00 N ATOM 221 CZ ARG A 72 -14.825 0.237 6.353 1.00 0.00 C ATOM 222 NH1 ARG A 72 -14.659 1.079 7.336 1.00 0.00 N ATOM 223 NH2 ARG A 72 -14.647 0.634 5.125 1.00 0.00 N ATOM 0 H ARG A 72 -16.918 -4.207 6.750 1.00 0.00 H new ATOM 0 HA ARG A 72 -17.416 -3.318 9.523 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -17.618 -2.102 6.771 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -18.802 -1.575 7.951 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -16.972 -0.045 8.222 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.806 -1.158 9.565 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -14.607 -1.019 8.629 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -15.235 -2.548 8.048 1.00 0.00 H new ATOM 0 HE ARG A 72 -15.337 -1.673 5.845 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -14.805 0.775 8.298 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -14.383 2.042 7.142 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -14.784 -0.019 4.353 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -14.371 1.597 4.935 1.00 0.00 H new ATOM 237 N LEU A 73 -19.415 -5.068 7.749 1.00 0.00 N ATOM 238 CA LEU A 73 -20.746 -5.694 7.715 1.00 0.00 C ATOM 239 C LEU A 73 -20.744 -7.039 8.440 1.00 0.00 C ATOM 240 O LEU A 73 -21.738 -7.417 9.060 1.00 0.00 O ATOM 241 CB LEU A 73 -21.207 -5.914 6.272 1.00 0.00 C ATOM 242 CG LEU A 73 -20.899 -4.674 5.431 1.00 0.00 C ATOM 243 CD1 LEU A 73 -21.408 -4.892 4.005 1.00 0.00 C ATOM 244 CD2 LEU A 73 -21.593 -3.451 6.041 1.00 0.00 C ATOM 0 H LEU A 73 -18.718 -5.506 7.147 1.00 0.00 H new ATOM 0 HA LEU A 73 -21.433 -5.015 8.220 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -20.705 -6.784 5.850 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -22.277 -6.122 6.251 1.00 0.00 H new ATOM 0 HG LEU A 73 -19.822 -4.505 5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -21.190 -4.010 3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -20.912 -5.760 3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -22.485 -5.061 4.025 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -21.372 -2.569 5.440 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -22.670 -3.616 6.060 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -21.231 -3.297 7.058 1.00 0.00 H new ATOM 256 N VAL A 74 -19.633 -7.771 8.340 1.00 0.00 N ATOM 257 CA VAL A 74 -19.535 -9.091 8.974 1.00 0.00 C ATOM 258 C VAL A 74 -18.776 -9.025 10.298 1.00 0.00 C ATOM 259 O VAL A 74 -19.308 -9.397 11.341 1.00 0.00 O ATOM 260 CB VAL A 74 -18.822 -10.061 8.029 1.00 0.00 C ATOM 261 CG1 VAL A 74 -18.808 -11.462 8.643 1.00 0.00 C ATOM 262 CG2 VAL A 74 -19.561 -10.101 6.690 1.00 0.00 C ATOM 0 H VAL A 74 -18.797 -7.479 7.833 1.00 0.00 H new ATOM 0 HA VAL A 74 -20.547 -9.440 9.180 1.00 0.00 H new ATOM 0 HB VAL A 74 -17.797 -9.725 7.872 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -18.300 -12.150 7.968 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -18.282 -11.436 9.598 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -19.832 -11.800 8.802 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -19.055 -10.791 6.015 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -20.586 -10.436 6.850 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -19.570 -9.104 6.249 1.00 0.00 H new ATOM 272 N LEU A 75 -17.528 -8.568 10.249 1.00 0.00 N ATOM 273 CA LEU A 75 -16.708 -8.479 11.456 1.00 0.00 C ATOM 274 C LEU A 75 -17.296 -7.468 12.439 1.00 0.00 C ATOM 275 O LEU A 75 -17.027 -7.524 13.639 1.00 0.00 O ATOM 276 CB LEU A 75 -15.270 -8.077 11.089 1.00 0.00 C ATOM 277 CG LEU A 75 -14.492 -9.303 10.594 1.00 0.00 C ATOM 278 CD1 LEU A 75 -15.286 -10.008 9.490 1.00 0.00 C ATOM 279 CD2 LEU A 75 -13.138 -8.851 10.042 1.00 0.00 C ATOM 0 H LEU A 75 -17.065 -8.256 9.396 1.00 0.00 H new ATOM 0 HA LEU A 75 -16.696 -9.458 11.934 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -15.285 -7.309 10.316 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.771 -7.646 11.957 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.338 -9.995 11.422 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -14.730 -10.878 9.141 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.251 -10.328 9.883 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -15.443 -9.320 8.659 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -12.581 -9.719 9.689 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.295 -8.159 9.214 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.572 -8.353 10.829 1.00 0.00 H new ATOM 291 N ARG A 76 -18.088 -6.543 11.923 1.00 0.00 N ATOM 292 CA ARG A 76 -18.696 -5.521 12.767 1.00 0.00 C ATOM 293 C ARG A 76 -19.585 -6.150 13.836 1.00 0.00 C ATOM 294 O ARG A 76 -19.583 -5.711 14.985 1.00 0.00 O ATOM 295 CB ARG A 76 -19.517 -4.559 11.911 1.00 0.00 C ATOM 296 CG ARG A 76 -20.126 -3.472 12.800 1.00 0.00 C ATOM 297 CD ARG A 76 -20.804 -2.425 11.919 1.00 0.00 C ATOM 298 NE ARG A 76 -21.866 -3.046 11.137 1.00 0.00 N ATOM 299 CZ ARG A 76 -23.078 -3.239 11.650 1.00 0.00 C ATOM 300 NH1 ARG A 76 -23.339 -2.855 12.869 1.00 0.00 N ATOM 301 NH2 ARG A 76 -24.005 -3.813 10.932 1.00 0.00 N ATOM 0 H ARG A 76 -18.325 -6.476 10.933 1.00 0.00 H new ATOM 0 HA ARG A 76 -17.897 -4.972 13.266 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -18.885 -4.106 11.147 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -20.306 -5.102 11.391 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -20.850 -3.910 13.487 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -19.351 -3.006 13.408 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -21.215 -1.628 12.538 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -20.071 -1.967 11.254 1.00 0.00 H new ATOM 0 HE ARG A 76 -21.676 -3.338 10.178 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -22.614 -2.407 13.429 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -24.268 -3.003 13.262 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -23.799 -4.113 9.979 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -24.935 -3.962 11.324 1.00 0.00 H new