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 -41:sc= 0.0894 USER MOD Single : A 68 GLN : amide:sc= -2.79 K(o=-2.8,f=-5!) USER MOD Single : A 71 CYS SG : rot 81:sc= 0.31 USER MOD ----------------------------------------------------------------- ATOM 15 N THR A 60 -6.807 -0.736 3.504 1.00 0.00 N ATOM 16 CA THR A 60 -7.261 0.262 2.538 1.00 0.00 C ATOM 17 C THR A 60 -7.063 -0.241 1.118 1.00 0.00 C ATOM 18 O THR A 60 -6.101 -0.947 0.824 1.00 0.00 O ATOM 19 CB THR A 60 -6.474 1.559 2.731 1.00 0.00 C ATOM 20 OG1 THR A 60 -5.091 1.306 2.522 1.00 0.00 O ATOM 21 CG2 THR A 60 -6.690 2.082 4.151 1.00 0.00 C ATOM 0 HA THR A 60 -8.323 0.446 2.702 1.00 0.00 H new ATOM 0 HB THR A 60 -6.820 2.305 2.016 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.848 0.453 2.939 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.129 3.006 4.288 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.751 2.275 4.310 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.345 1.338 4.869 1.00 0.00 H new ATOM 29 N LEU A 61 -7.999 0.133 0.255 1.00 0.00 N ATOM 30 CA LEU A 61 -7.975 -0.265 -1.153 1.00 0.00 C ATOM 31 C LEU A 61 -8.236 -1.759 -1.271 1.00 0.00 C ATOM 32 O LEU A 61 -8.328 -2.311 -2.367 1.00 0.00 O ATOM 33 CB LEU A 61 -6.631 0.083 -1.808 1.00 0.00 C ATOM 34 CG LEU A 61 -6.250 1.530 -1.477 1.00 0.00 C ATOM 35 CD1 LEU A 61 -4.941 1.889 -2.189 1.00 0.00 C ATOM 36 CD2 LEU A 61 -7.366 2.481 -1.932 1.00 0.00 C ATOM 0 H LEU A 61 -8.795 0.719 0.507 1.00 0.00 H new ATOM 0 HA LEU A 61 -8.758 0.286 -1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.856 -0.597 -1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.698 -0.047 -2.888 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.116 1.630 -0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.669 2.918 -1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.149 1.219 -1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.072 1.785 -3.266 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.089 3.508 -1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.510 2.384 -3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.293 2.227 -1.418 1.00 0.00 H new ATOM 48 N LEU A 62 -8.379 -2.391 -0.117 1.00 0.00 N ATOM 49 CA LEU A 62 -8.658 -3.815 -0.034 1.00 0.00 C ATOM 50 C LEU A 62 -9.090 -4.117 1.390 1.00 0.00 C ATOM 51 O LEU A 62 -8.432 -4.849 2.128 1.00 0.00 O ATOM 52 CB LEU A 62 -7.433 -4.667 -0.425 1.00 0.00 C ATOM 53 CG LEU A 62 -6.127 -3.970 -0.020 1.00 0.00 C ATOM 54 CD1 LEU A 62 -5.953 -4.006 1.499 1.00 0.00 C ATOM 55 CD2 LEU A 62 -4.956 -4.701 -0.674 1.00 0.00 C ATOM 0 H LEU A 62 -8.305 -1.930 0.790 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.448 -4.072 -0.740 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.494 -5.642 0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.437 -4.844 -1.501 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.159 -2.931 -0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.022 -3.508 1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.790 -3.494 1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.922 -5.042 1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.021 -4.215 -0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.941 -5.738 -0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.069 -4.673 -1.758 1.00 0.00 H new ATOM 67 N GLY A 63 -10.201 -3.510 1.762 1.00 0.00 N ATOM 68 CA GLY A 63 -10.752 -3.654 3.107 1.00 0.00 C ATOM 69 C GLY A 63 -11.526 -2.401 3.511 1.00 0.00 C ATOM 70 O GLY A 63 -12.136 -2.352 4.579 1.00 0.00 O ATOM 0 H GLY A 63 -10.748 -2.906 1.149 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.410 -4.522 3.145 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.946 -3.834 3.818 1.00 0.00 H new ATOM 74 N ARG A 64 -11.495 -1.391 2.643 1.00 0.00 N ATOM 75 CA ARG A 64 -12.188 -0.129 2.886 1.00 0.00 C ATOM 76 C ARG A 64 -13.096 0.202 1.701 1.00 0.00 C ATOM 77 O ARG A 64 -13.856 1.171 1.751 1.00 0.00 O ATOM 78 CB ARG A 64 -11.152 0.981 3.095 1.00 0.00 C ATOM 79 CG ARG A 64 -11.765 2.207 3.793 1.00 0.00 C ATOM 80 CD ARG A 64 -12.126 1.899 5.257 1.00 0.00 C ATOM 81 NE ARG A 64 -11.066 1.127 5.900 1.00 0.00 N ATOM 82 CZ ARG A 64 -9.980 1.720 6.388 1.00 0.00 C ATOM 83 NH1 ARG A 64 -9.847 3.014 6.300 1.00 0.00 N ATOM 84 NH2 ARG A 64 -9.047 1.006 6.959 1.00 0.00 N ATOM 0 H ARG A 64 -10.991 -1.425 1.757 1.00 0.00 H new ATOM 0 HA ARG A 64 -12.806 -0.214 3.780 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -10.324 0.598 3.692 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.739 1.279 2.131 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -11.060 3.038 3.758 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -12.659 2.524 3.256 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.285 2.830 5.801 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -13.063 1.343 5.296 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.160 0.114 5.976 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.576 3.573 5.857 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.014 3.468 6.675 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.151 -0.006 7.031 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.214 1.461 7.333 1.00 0.00 H new ATOM 98 N ILE A 65 -13.019 -0.611 0.629 1.00 0.00 N ATOM 99 CA ILE A 65 -13.849 -0.384 -0.558 1.00 0.00 C ATOM 100 C ILE A 65 -14.679 -1.620 -0.937 1.00 0.00 C ATOM 101 O ILE A 65 -15.909 -1.563 -0.909 1.00 0.00 O ATOM 102 CB ILE A 65 -12.969 0.017 -1.740 1.00 0.00 C ATOM 103 CG1 ILE A 65 -11.972 1.090 -1.303 1.00 0.00 C ATOM 104 CG2 ILE A 65 -13.845 0.592 -2.857 1.00 0.00 C ATOM 105 CD1 ILE A 65 -11.063 1.429 -2.482 1.00 0.00 C ATOM 0 H ILE A 65 -12.398 -1.418 0.565 1.00 0.00 H new ATOM 0 HA ILE A 65 -14.544 0.420 -0.315 1.00 0.00 H new ATOM 0 HB ILE A 65 -12.434 -0.863 -2.097 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -12.501 1.982 -0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -11.380 0.734 -0.460 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -13.217 0.878 -3.701 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -14.565 -0.161 -3.179 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -14.378 1.468 -2.487 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -10.347 2.194 -2.181 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -10.527 0.534 -2.797 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -11.665 1.801 -3.311 1.00 0.00 H new ATOM 117 N LEU A 66 -14.020 -2.733 -1.311 1.00 0.00 N ATOM 118 CA LEU A 66 -14.754 -3.952 -1.712 1.00 0.00 C ATOM 119 C LEU A 66 -14.769 -4.987 -0.583 1.00 0.00 C ATOM 120 O LEU A 66 -15.842 -5.449 -0.194 1.00 0.00 O ATOM 121 CB LEU A 66 -14.182 -4.585 -3.021 1.00 0.00 C ATOM 122 CG LEU A 66 -13.294 -3.579 -3.774 1.00 0.00 C ATOM 123 CD1 LEU A 66 -12.579 -4.298 -4.920 1.00 0.00 C ATOM 124 CD2 LEU A 66 -14.166 -2.448 -4.338 1.00 0.00 C ATOM 0 H LEU A 66 -13.004 -2.816 -1.345 1.00 0.00 H new ATOM 0 HA LEU A 66 -15.779 -3.644 -1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.603 -5.475 -2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -15.002 -4.905 -3.664 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.556 -3.158 -3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.948 -3.589 -5.457 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.961 -5.101 -4.517 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -13.317 -4.717 -5.604 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -13.537 -1.735 -4.871 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -14.904 -2.865 -5.023 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -14.677 -1.940 -3.520 1.00 0.00 H new ATOM 136 N PRO A 67 -13.632 -5.377 -0.046 1.00 0.00 N ATOM 137 CA PRO A 67 -13.590 -6.384 1.047 1.00 0.00 C ATOM 138 C PRO A 67 -14.044 -5.772 2.365 1.00 0.00 C ATOM 139 O PRO A 67 -14.300 -6.483 3.335 1.00 0.00 O ATOM 140 CB PRO A 67 -12.111 -6.841 1.094 1.00 0.00 C ATOM 141 CG PRO A 67 -11.461 -6.196 -0.095 1.00 0.00 C ATOM 142 CD PRO A 67 -12.269 -4.930 -0.364 1.00 0.00 C ATOM 0 HA PRO A 67 -14.263 -7.224 0.875 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.632 -6.529 2.022 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.033 -7.927 1.044 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.417 -5.959 0.109 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.474 -6.861 -0.958 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.952 -4.100 0.267 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -12.178 -4.597 -1.398 1.00 0.00 H new ATOM 150 N GLN A 68 -14.145 -4.444 2.400 1.00 0.00 N ATOM 151 CA GLN A 68 -14.570 -3.782 3.617 1.00 0.00 C ATOM 152 C GLN A 68 -15.914 -4.357 4.030 1.00 0.00 C ATOM 153 O GLN A 68 -16.319 -4.297 5.191 1.00 0.00 O ATOM 154 CB GLN A 68 -14.682 -2.267 3.365 1.00 0.00 C ATOM 155 CG GLN A 68 -16.066 -1.871 2.819 1.00 0.00 C ATOM 156 CD GLN A 68 -16.088 -0.382 2.504 1.00 0.00 C ATOM 157 OE1 GLN A 68 -16.081 0.010 1.340 1.00 0.00 O ATOM 158 NE2 GLN A 68 -16.116 0.474 3.487 1.00 0.00 N ATOM 0 H GLN A 68 -13.942 -3.824 1.616 1.00 0.00 H new ATOM 0 HA GLN A 68 -13.845 -3.944 4.415 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -14.493 -1.730 4.295 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.912 -1.960 2.657 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -16.291 -2.446 1.921 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -16.838 -2.109 3.551 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -16.122 0.143 4.452 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -16.132 1.475 3.291 1.00 0.00 H new ATOM 167 N LEU A 69 -16.593 -4.901 3.034 1.00 0.00 N ATOM 168 CA LEU A 69 -17.903 -5.489 3.223 1.00 0.00 C ATOM 169 C LEU A 69 -17.803 -6.637 4.199 1.00 0.00 C ATOM 170 O LEU A 69 -18.674 -6.836 5.035 1.00 0.00 O ATOM 171 CB LEU A 69 -18.433 -6.009 1.885 1.00 0.00 C ATOM 172 CG LEU A 69 -18.712 -4.836 0.937 1.00 0.00 C ATOM 173 CD1 LEU A 69 -19.058 -5.386 -0.451 1.00 0.00 C ATOM 174 CD2 LEU A 69 -19.880 -3.982 1.467 1.00 0.00 C ATOM 0 H LEU A 69 -16.250 -4.946 2.074 1.00 0.00 H new ATOM 0 HA LEU A 69 -18.584 -4.733 3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -17.706 -6.685 1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -19.346 -6.583 2.045 1.00 0.00 H new ATOM 0 HG LEU A 69 -17.825 -4.206 0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -19.258 -4.558 -1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.220 -5.972 -0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -19.942 -6.020 -0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -20.065 -3.154 0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -20.776 -4.598 1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -19.626 -3.589 2.452 1.00 0.00 H new ATOM 186 N VAL A 70 -16.728 -7.398 4.091 1.00 0.00 N ATOM 187 CA VAL A 70 -16.526 -8.535 4.981 1.00 0.00 C ATOM 188 C VAL A 70 -15.672 -8.144 6.174 1.00 0.00 C ATOM 189 O VAL A 70 -14.969 -8.976 6.746 1.00 0.00 O ATOM 190 CB VAL A 70 -15.878 -9.699 4.238 1.00 0.00 C ATOM 191 CG1 VAL A 70 -16.845 -10.228 3.177 1.00 0.00 C ATOM 192 CG2 VAL A 70 -14.583 -9.239 3.560 1.00 0.00 C ATOM 0 H VAL A 70 -15.987 -7.254 3.405 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.505 -8.851 5.341 1.00 0.00 H new ATOM 0 HB VAL A 70 -15.645 -10.489 4.952 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -16.383 -11.060 2.646 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -17.762 -10.569 3.658 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -17.081 -9.432 2.470 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -14.130 -10.079 3.033 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -14.807 -8.443 2.850 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -13.890 -8.867 4.314 1.00 0.00 H new ATOM 202 N CYS A 71 -15.755 -6.876 6.558 1.00 0.00 N ATOM 203 CA CYS A 71 -15.006 -6.380 7.707 1.00 0.00 C ATOM 204 C CYS A 71 -15.925 -5.533 8.570 1.00 0.00 C ATOM 205 O CYS A 71 -16.178 -5.851 9.732 1.00 0.00 O ATOM 206 CB CYS A 71 -13.820 -5.541 7.234 1.00 0.00 C ATOM 207 SG CYS A 71 -12.720 -6.565 6.225 1.00 0.00 S ATOM 0 H CYS A 71 -16.331 -6.174 6.093 1.00 0.00 H new ATOM 0 HA CYS A 71 -14.630 -7.222 8.288 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -14.173 -4.688 6.655 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -13.278 -5.142 8.092 1.00 0.00 H new ATOM 0 HG CYS A 71 -13.194 -6.652 5.018 1.00 0.00 H new ATOM 213 N ARG A 72 -16.433 -4.461 7.980 1.00 0.00 N ATOM 214 CA ARG A 72 -17.343 -3.567 8.677 1.00 0.00 C ATOM 215 C ARG A 72 -18.720 -4.204 8.846 1.00 0.00 C ATOM 216 O ARG A 72 -19.458 -3.846 9.763 1.00 0.00 O ATOM 217 CB ARG A 72 -17.496 -2.255 7.897 1.00 0.00 C ATOM 218 CG ARG A 72 -16.205 -1.379 8.013 1.00 0.00 C ATOM 219 CD ARG A 72 -15.459 -1.281 6.666 1.00 0.00 C ATOM 220 NE ARG A 72 -14.444 -2.321 6.575 1.00 0.00 N ATOM 221 CZ ARG A 72 -13.298 -2.221 7.244 1.00 0.00 C ATOM 222 NH1 ARG A 72 -13.081 -1.189 8.012 1.00 0.00 N ATOM 223 NH2 ARG A 72 -12.391 -3.150 7.129 1.00 0.00 N ATOM 0 H ARG A 72 -16.229 -4.190 7.018 1.00 0.00 H new ATOM 0 HA ARG A 72 -16.921 -3.368 9.662 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -17.699 -2.473 6.848 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -18.352 -1.699 8.278 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -16.473 -0.379 8.354 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.542 -1.806 8.766 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -16.166 -1.380 5.843 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -14.994 -0.300 6.570 1.00 0.00 H new ATOM 0 HE ARG A 72 -14.614 -3.139 5.989 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -13.789 -0.460 8.099 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.203 -1.111 8.525 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.559 -3.955 6.526 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.513 -3.072 7.642 1.00 0.00 H new ATOM 237 N LEU A 73 -19.090 -5.123 7.940 1.00 0.00 N ATOM 238 CA LEU A 73 -20.416 -5.748 8.016 1.00 0.00 C ATOM 239 C LEU A 73 -20.327 -7.187 8.513 1.00 0.00 C ATOM 240 O LEU A 73 -21.354 -7.815 8.773 1.00 0.00 O ATOM 241 CB LEU A 73 -21.090 -5.736 6.640 1.00 0.00 C ATOM 242 CG LEU A 73 -20.897 -4.367 5.977 1.00 0.00 C ATOM 243 CD1 LEU A 73 -21.608 -4.354 4.621 1.00 0.00 C ATOM 244 CD2 LEU A 73 -21.482 -3.271 6.874 1.00 0.00 C ATOM 0 H LEU A 73 -18.506 -5.442 7.167 1.00 0.00 H new ATOM 0 HA LEU A 73 -21.008 -5.169 8.724 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -20.665 -6.518 6.010 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -22.153 -5.953 6.744 1.00 0.00 H new ATOM 0 HG LEU A 73 -19.833 -4.182 5.832 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -21.472 -3.381 4.148 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -21.187 -5.130 3.982 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -22.672 -4.541 4.766 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -21.343 -2.300 6.399 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -22.546 -3.453 7.023 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -20.973 -3.280 7.838 1.00 0.00 H new ATOM 256 N VAL A 74 -19.106 -7.717 8.635 1.00 0.00 N ATOM 257 CA VAL A 74 -18.922 -9.105 9.098 1.00 0.00 C ATOM 258 C VAL A 74 -18.079 -9.171 10.371 1.00 0.00 C ATOM 259 O VAL A 74 -18.578 -9.545 11.429 1.00 0.00 O ATOM 260 CB VAL A 74 -18.264 -9.935 7.989 1.00 0.00 C ATOM 261 CG1 VAL A 74 -17.890 -11.322 8.524 1.00 0.00 C ATOM 262 CG2 VAL A 74 -19.252 -10.093 6.832 1.00 0.00 C ATOM 0 H VAL A 74 -18.241 -7.220 8.425 1.00 0.00 H new ATOM 0 HA VAL A 74 -19.905 -9.515 9.332 1.00 0.00 H new ATOM 0 HB VAL A 74 -17.362 -9.428 7.646 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -17.423 -11.905 7.730 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -17.192 -11.216 9.354 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -18.789 -11.833 8.869 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -18.792 -10.682 6.039 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -20.150 -10.600 7.187 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -19.519 -9.110 6.445 1.00 0.00 H new ATOM 272 N LEU A 75 -16.802 -8.822 10.271 1.00 0.00 N ATOM 273 CA LEU A 75 -15.926 -8.873 11.437 1.00 0.00 C ATOM 274 C LEU A 75 -16.405 -7.896 12.504 1.00 0.00 C ATOM 275 O LEU A 75 -16.349 -8.185 13.698 1.00 0.00 O ATOM 276 CB LEU A 75 -14.492 -8.509 11.045 1.00 0.00 C ATOM 277 CG LEU A 75 -13.910 -9.571 10.099 1.00 0.00 C ATOM 278 CD1 LEU A 75 -12.543 -9.094 9.594 1.00 0.00 C ATOM 279 CD2 LEU A 75 -13.750 -10.918 10.832 1.00 0.00 C ATOM 0 H LEU A 75 -16.355 -8.506 9.411 1.00 0.00 H new ATOM 0 HA LEU A 75 -15.951 -9.889 11.832 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.477 -7.533 10.560 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -13.873 -8.430 11.939 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.590 -9.713 9.259 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.122 -9.842 8.922 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.661 -8.151 9.060 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.872 -8.949 10.441 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.337 -11.658 10.147 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.077 -10.793 11.680 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.723 -11.256 11.188 1.00 0.00 H new ATOM 291 N ARG A 76 -16.858 -6.733 12.058 1.00 0.00 N ATOM 292 CA ARG A 76 -17.330 -5.699 12.973 1.00 0.00 C ATOM 293 C ARG A 76 -18.767 -5.959 13.419 1.00 0.00 C ATOM 294 O ARG A 76 -19.260 -5.320 14.345 1.00 0.00 O ATOM 295 CB ARG A 76 -17.237 -4.333 12.292 1.00 0.00 C ATOM 296 CG ARG A 76 -17.443 -3.220 13.323 1.00 0.00 C ATOM 297 CD ARG A 76 -17.126 -1.874 12.676 1.00 0.00 C ATOM 298 NE ARG A 76 -15.735 -1.849 12.248 1.00 0.00 N ATOM 299 CZ ARG A 76 -15.223 -0.789 11.628 1.00 0.00 C ATOM 300 NH1 ARG A 76 -15.963 0.263 11.414 1.00 0.00 N ATOM 301 NH2 ARG A 76 -13.978 -0.801 11.236 1.00 0.00 N ATOM 0 H ARG A 76 -16.909 -6.480 11.071 1.00 0.00 H new ATOM 0 HA ARG A 76 -16.697 -5.715 13.860 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -16.264 -4.221 11.813 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -17.989 -4.257 11.507 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -18.471 -3.230 13.686 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -16.798 -3.383 14.186 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -17.782 -1.707 11.822 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -17.313 -1.067 13.384 1.00 0.00 H new ATOM 0 HE ARG A 76 -15.142 -2.659 12.427 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -16.935 0.274 11.722 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -15.570 1.075 10.939 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -13.398 -1.623 11.405 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -13.585 0.011 10.761 1.00 0.00 H new