USER MOD reduce.3.24.130724 H: found=0, std=0, add=303, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 299 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 1 LYS N :NH3+ 180:sc= -0.0542 (180deg=-0.0542) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.258 K(o=-0.26,f=-2.5!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 89:sc= 0.133 USER MOD Single : A 21 HIS : no HE2:sc= -4.01! C(o=-4!,f=-6.6!) USER MOD Single : A 23 GLN : amide:sc= 0.434 X(o=0.43,f=-0.0037) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -24.112 -7.573 -0.775 1.00 0.00 N ATOM 2 CA LYS A 1 -22.924 -6.664 -0.836 1.00 0.00 C ATOM 3 C LYS A 1 -23.087 -5.659 -1.990 1.00 0.00 C ATOM 4 O LYS A 1 -22.480 -5.798 -3.039 1.00 0.00 O ATOM 5 CB LYS A 1 -21.711 -7.584 -1.054 1.00 0.00 C ATOM 6 CG LYS A 1 -20.411 -6.765 -1.075 1.00 0.00 C ATOM 7 CD LYS A 1 -19.552 -7.183 -2.278 1.00 0.00 C ATOM 8 CE LYS A 1 -19.192 -5.952 -3.125 1.00 0.00 C ATOM 9 NZ LYS A 1 -19.165 -6.427 -4.539 1.00 0.00 N ATOM 0 H1 LYS A 1 -23.993 -8.248 0.007 1.00 0.00 H new ATOM 0 H2 LYS A 1 -24.972 -7.010 -0.618 1.00 0.00 H new ATOM 0 H3 LYS A 1 -24.197 -8.093 -1.671 1.00 0.00 H new ATOM 0 HA LYS A 1 -22.806 -6.074 0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -21.665 -8.329 -0.260 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -21.822 -8.125 -1.994 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -20.641 -5.701 -1.133 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -19.857 -6.921 -0.149 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -18.643 -7.674 -1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -20.093 -7.907 -2.887 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -19.927 -5.158 -2.993 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -18.225 -5.544 -2.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -18.925 -5.634 -5.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -18.451 -7.177 -4.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -20.100 -6.802 -4.797 1.00 0.00 H new ATOM 22 N LEU A 2 -23.902 -4.648 -1.797 1.00 0.00 N ATOM 23 CA LEU A 2 -24.114 -3.623 -2.870 1.00 0.00 C ATOM 24 C LEU A 2 -24.003 -2.204 -2.283 1.00 0.00 C ATOM 25 O LEU A 2 -24.725 -1.301 -2.665 1.00 0.00 O ATOM 26 CB LEU A 2 -25.520 -3.892 -3.422 1.00 0.00 C ATOM 27 CG LEU A 2 -25.473 -5.031 -4.450 1.00 0.00 C ATOM 28 CD1 LEU A 2 -25.882 -6.352 -3.789 1.00 0.00 C ATOM 29 CD2 LEU A 2 -26.438 -4.717 -5.596 1.00 0.00 C ATOM 0 H LEU A 2 -24.431 -4.488 -0.940 1.00 0.00 H new ATOM 0 HA LEU A 2 -23.363 -3.690 -3.657 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -26.195 -4.154 -2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -25.916 -2.989 -3.886 1.00 0.00 H new ATOM 0 HG LEU A 2 -24.458 -5.124 -4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -25.846 -7.154 -4.526 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -25.196 -6.578 -2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -26.896 -6.265 -3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -26.408 -5.524 -6.329 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -27.450 -4.621 -5.203 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -26.144 -3.782 -6.073 1.00 0.00 H new ATOM 41 N PHE A 3 -23.091 -2.016 -1.358 1.00 0.00 N ATOM 42 CA PHE A 3 -22.883 -0.680 -0.714 1.00 0.00 C ATOM 43 C PHE A 3 -21.438 -0.596 -0.204 1.00 0.00 C ATOM 44 O PHE A 3 -20.695 0.296 -0.568 1.00 0.00 O ATOM 45 CB PHE A 3 -23.883 -0.614 0.449 1.00 0.00 C ATOM 46 CG PHE A 3 -24.850 0.528 0.228 1.00 0.00 C ATOM 47 CD1 PHE A 3 -24.469 1.839 0.537 1.00 0.00 C ATOM 48 CD2 PHE A 3 -26.128 0.274 -0.287 1.00 0.00 C ATOM 49 CE1 PHE A 3 -25.363 2.896 0.331 1.00 0.00 C ATOM 50 CE2 PHE A 3 -27.022 1.331 -0.491 1.00 0.00 C ATOM 51 CZ PHE A 3 -26.640 2.642 -0.183 1.00 0.00 C ATOM 0 H PHE A 3 -22.469 -2.749 -1.016 1.00 0.00 H new ATOM 0 HA PHE A 3 -23.041 0.150 -1.403 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -24.428 -1.555 0.526 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -23.351 -0.476 1.391 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -23.484 2.035 0.935 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -26.423 -0.737 -0.526 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -25.068 3.907 0.569 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -28.008 1.135 -0.886 1.00 0.00 H new ATOM 0 HZ PHE A 3 -27.330 3.457 -0.342 1.00 0.00 H new ATOM 61 N LEU A 4 -21.045 -1.533 0.631 1.00 0.00 N ATOM 62 CA LEU A 4 -19.651 -1.546 1.178 1.00 0.00 C ATOM 63 C LEU A 4 -18.762 -2.416 0.272 1.00 0.00 C ATOM 64 O LEU A 4 -19.134 -2.718 -0.850 1.00 0.00 O ATOM 65 CB LEU A 4 -19.769 -2.146 2.587 1.00 0.00 C ATOM 66 CG LEU A 4 -20.570 -1.203 3.495 1.00 0.00 C ATOM 67 CD1 LEU A 4 -21.890 -1.865 3.899 1.00 0.00 C ATOM 68 CD2 LEU A 4 -19.756 -0.893 4.754 1.00 0.00 C ATOM 0 H LEU A 4 -21.638 -2.295 0.958 1.00 0.00 H new ATOM 0 HA LEU A 4 -19.201 -0.554 1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -20.259 -3.119 2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -18.776 -2.310 3.005 1.00 0.00 H new ATOM 0 HG LEU A 4 -20.779 -0.280 2.954 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -22.453 -1.190 4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -22.474 -2.086 3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -21.683 -2.791 4.436 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -20.325 -0.223 5.399 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -19.545 -1.819 5.288 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -18.818 -0.415 4.472 1.00 0.00 H new ATOM 80 N ALA A 5 -17.598 -2.817 0.743 1.00 0.00 N ATOM 81 CA ALA A 5 -16.666 -3.667 -0.078 1.00 0.00 C ATOM 82 C ALA A 5 -16.268 -2.956 -1.389 1.00 0.00 C ATOM 83 O ALA A 5 -15.938 -3.597 -2.372 1.00 0.00 O ATOM 84 CB ALA A 5 -17.442 -4.960 -0.366 1.00 0.00 C ATOM 0 H ALA A 5 -17.250 -2.588 1.674 1.00 0.00 H new ATOM 0 HA ALA A 5 -15.733 -3.864 0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -16.823 -5.630 -0.963 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -17.701 -5.446 0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -18.353 -4.723 -0.915 1.00 0.00 H new ATOM 90 N ARG A 6 -16.294 -1.640 -1.408 1.00 0.00 N ATOM 91 CA ARG A 6 -15.921 -0.882 -2.640 1.00 0.00 C ATOM 92 C ARG A 6 -14.879 0.183 -2.288 1.00 0.00 C ATOM 93 O ARG A 6 -13.797 0.191 -2.845 1.00 0.00 O ATOM 94 CB ARG A 6 -17.227 -0.254 -3.141 1.00 0.00 C ATOM 95 CG ARG A 6 -17.260 -0.289 -4.672 1.00 0.00 C ATOM 96 CD ARG A 6 -16.661 1.003 -5.243 1.00 0.00 C ATOM 97 NE ARG A 6 -17.715 2.045 -5.071 1.00 0.00 N ATOM 98 CZ ARG A 6 -18.701 2.133 -5.925 1.00 0.00 C ATOM 99 NH1 ARG A 6 -18.503 2.685 -7.096 1.00 0.00 N ATOM 100 NH2 ARG A 6 -19.881 1.668 -5.601 1.00 0.00 N ATOM 0 H ARG A 6 -16.561 -1.059 -0.613 1.00 0.00 H new ATOM 0 HA ARG A 6 -15.476 -1.514 -3.409 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -18.082 -0.796 -2.736 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -17.306 0.775 -2.789 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -16.700 -1.150 -5.036 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -18.287 -0.407 -5.019 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -15.748 1.278 -4.715 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -16.398 0.882 -6.294 1.00 0.00 H new ATOM 0 HE ARG A 6 -17.666 2.692 -4.284 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -17.581 3.045 -7.341 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -19.271 2.754 -7.764 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -20.027 1.240 -4.687 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -20.654 1.734 -6.263 1.00 0.00 H new ATOM 114 N LEU A 7 -15.191 1.067 -1.364 1.00 0.00 N ATOM 115 CA LEU A 7 -14.210 2.127 -0.959 1.00 0.00 C ATOM 116 C LEU A 7 -12.968 1.455 -0.356 1.00 0.00 C ATOM 117 O LEU A 7 -11.855 1.905 -0.562 1.00 0.00 O ATOM 118 CB LEU A 7 -14.931 2.986 0.089 1.00 0.00 C ATOM 119 CG LEU A 7 -14.104 4.239 0.405 1.00 0.00 C ATOM 120 CD1 LEU A 7 -14.241 5.255 -0.732 1.00 0.00 C ATOM 121 CD2 LEU A 7 -14.609 4.865 1.707 1.00 0.00 C ATOM 0 H LEU A 7 -16.085 1.099 -0.873 1.00 0.00 H new ATOM 0 HA LEU A 7 -13.881 2.737 -1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -15.915 3.274 -0.281 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -15.089 2.407 0.999 1.00 0.00 H new ATOM 0 HG LEU A 7 -13.056 3.959 0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -13.651 6.142 -0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -13.881 4.812 -1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -15.288 5.535 -0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -14.023 5.756 1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -15.658 5.140 1.596 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -14.506 4.146 2.520 1.00 0.00 H new ATOM 133 N ILE A 8 -13.156 0.375 0.373 1.00 0.00 N ATOM 134 CA ILE A 8 -11.996 -0.350 0.987 1.00 0.00 C ATOM 135 C ILE A 8 -11.192 -1.029 -0.131 1.00 0.00 C ATOM 136 O ILE A 8 -9.978 -1.006 -0.115 1.00 0.00 O ATOM 137 CB ILE A 8 -12.598 -1.385 1.953 1.00 0.00 C ATOM 138 CG1 ILE A 8 -13.376 -0.664 3.064 1.00 0.00 C ATOM 139 CG2 ILE A 8 -11.481 -2.220 2.590 1.00 0.00 C ATOM 140 CD1 ILE A 8 -14.660 -1.432 3.385 1.00 0.00 C ATOM 0 H ILE A 8 -14.069 -0.036 0.569 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.320 0.315 1.524 1.00 0.00 H new ATOM 0 HB ILE A 8 -13.269 -2.038 1.395 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.758 -0.582 3.958 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.618 0.351 2.750 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.916 -2.950 3.272 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.925 -2.739 1.810 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -10.807 -1.565 3.142 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.206 -0.914 4.174 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -15.282 -1.491 2.492 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.408 -2.439 3.719 1.00 0.00 H new ATOM 152 N TRP A 9 -11.868 -1.615 -1.100 1.00 0.00 N ATOM 153 CA TRP A 9 -11.164 -2.292 -2.243 1.00 0.00 C ATOM 154 C TRP A 9 -10.279 -1.277 -2.989 1.00 0.00 C ATOM 155 O TRP A 9 -9.221 -1.619 -3.484 1.00 0.00 O ATOM 156 CB TRP A 9 -12.270 -2.810 -3.172 1.00 0.00 C ATOM 157 CG TRP A 9 -12.461 -4.282 -2.981 1.00 0.00 C ATOM 158 CD1 TRP A 9 -13.258 -4.851 -2.047 1.00 0.00 C ATOM 159 CD2 TRP A 9 -11.860 -5.379 -3.727 1.00 0.00 C ATOM 160 NE1 TRP A 9 -13.188 -6.226 -2.175 1.00 0.00 N ATOM 161 CE2 TRP A 9 -12.337 -6.601 -3.195 1.00 0.00 C ATOM 162 CE3 TRP A 9 -10.957 -5.433 -4.803 1.00 0.00 C ATOM 163 CZ2 TRP A 9 -11.930 -7.833 -3.714 1.00 0.00 C ATOM 164 CZ3 TRP A 9 -10.546 -6.667 -5.327 1.00 0.00 C ATOM 165 CH2 TRP A 9 -11.031 -7.865 -4.784 1.00 0.00 C ATOM 0 H TRP A 9 -12.886 -1.652 -1.146 1.00 0.00 H new ATOM 0 HA TRP A 9 -10.520 -3.101 -1.897 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -13.203 -2.285 -2.966 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -12.010 -2.602 -4.210 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -13.852 -4.318 -1.320 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -13.702 -6.883 -1.588 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -10.577 -4.517 -5.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -12.307 -8.753 -3.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -9.852 -6.695 -6.154 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -10.710 -8.812 -5.192 1.00 0.00 H new ATOM 176 N TRP A 10 -10.706 -0.036 -3.064 1.00 0.00 N ATOM 177 CA TRP A 10 -9.898 1.011 -3.765 1.00 0.00 C ATOM 178 C TRP A 10 -8.693 1.397 -2.895 1.00 0.00 C ATOM 179 O TRP A 10 -7.590 1.554 -3.387 1.00 0.00 O ATOM 180 CB TRP A 10 -10.843 2.207 -3.951 1.00 0.00 C ATOM 181 CG TRP A 10 -10.974 2.512 -5.407 1.00 0.00 C ATOM 182 CD1 TRP A 10 -12.096 2.338 -6.138 1.00 0.00 C ATOM 183 CD2 TRP A 10 -9.965 3.036 -6.317 1.00 0.00 C ATOM 184 NE1 TRP A 10 -11.844 2.723 -7.441 1.00 0.00 N ATOM 185 CE2 TRP A 10 -10.544 3.161 -7.603 1.00 0.00 C ATOM 186 CE3 TRP A 10 -8.621 3.411 -6.152 1.00 0.00 C ATOM 187 CZ2 TRP A 10 -9.807 3.644 -8.688 1.00 0.00 C ATOM 188 CZ3 TRP A 10 -7.880 3.895 -7.239 1.00 0.00 C ATOM 189 CH2 TRP A 10 -8.470 4.011 -8.504 1.00 0.00 C ATOM 0 H TRP A 10 -11.585 0.296 -2.667 1.00 0.00 H new ATOM 0 HA TRP A 10 -9.510 0.664 -4.723 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -11.821 1.982 -3.526 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -10.457 3.076 -3.419 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -13.036 1.960 -5.765 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -12.534 2.688 -8.192 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -8.156 3.326 -5.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -10.267 3.733 -9.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -6.848 4.180 -7.100 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -7.893 4.384 -9.337 1.00 0.00 H new ATOM 200 N LEU A 11 -8.906 1.546 -1.606 1.00 0.00 N ATOM 201 CA LEU A 11 -7.792 1.920 -0.677 1.00 0.00 C ATOM 202 C LEU A 11 -6.814 0.747 -0.504 1.00 0.00 C ATOM 203 O LEU A 11 -5.619 0.926 -0.643 1.00 0.00 O ATOM 204 CB LEU A 11 -8.459 2.275 0.662 1.00 0.00 C ATOM 205 CG LEU A 11 -8.686 3.790 0.785 1.00 0.00 C ATOM 206 CD1 LEU A 11 -7.350 4.540 0.730 1.00 0.00 C ATOM 207 CD2 LEU A 11 -9.592 4.283 -0.350 1.00 0.00 C ATOM 0 H LEU A 11 -9.813 1.423 -1.156 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.213 2.757 -1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.413 1.754 0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.834 1.930 1.486 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.166 3.986 1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.530 5.611 0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.713 4.210 1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.855 4.333 -0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.746 5.358 -0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.122 4.070 -1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.554 3.773 -0.296 1.00 0.00 H new ATOM 219 N GLN A 12 -7.313 -0.439 -0.207 1.00 0.00 N ATOM 220 CA GLN A 12 -6.416 -1.635 -0.023 1.00 0.00 C ATOM 221 C GLN A 12 -5.493 -1.841 -1.240 1.00 0.00 C ATOM 222 O GLN A 12 -4.389 -2.330 -1.096 1.00 0.00 O ATOM 223 CB GLN A 12 -7.342 -2.846 0.205 1.00 0.00 C ATOM 224 CG GLN A 12 -8.193 -3.146 -1.037 1.00 0.00 C ATOM 225 CD GLN A 12 -7.607 -4.311 -1.849 1.00 0.00 C ATOM 226 OE1 GLN A 12 -6.580 -4.868 -1.510 1.00 0.00 O ATOM 227 NE2 GLN A 12 -8.226 -4.712 -2.926 1.00 0.00 N ATOM 0 H GLN A 12 -8.308 -0.629 -0.084 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.750 -1.495 0.829 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -6.743 -3.721 0.457 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.995 -2.651 1.056 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.211 -3.388 -0.733 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.251 -2.256 -1.664 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.088 -4.252 -3.220 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.848 -5.485 -3.474 1.00 0.00 H new ATOM 236 N TYR A 13 -5.930 -1.463 -2.424 1.00 0.00 N ATOM 237 CA TYR A 13 -5.075 -1.623 -3.642 1.00 0.00 C ATOM 238 C TYR A 13 -3.794 -0.784 -3.477 1.00 0.00 C ATOM 239 O TYR A 13 -2.706 -1.241 -3.784 1.00 0.00 O ATOM 240 CB TYR A 13 -5.929 -1.109 -4.813 1.00 0.00 C ATOM 241 CG TYR A 13 -5.078 -0.971 -6.054 1.00 0.00 C ATOM 242 CD1 TYR A 13 -4.769 -2.098 -6.823 1.00 0.00 C ATOM 243 CD2 TYR A 13 -4.594 0.289 -6.429 1.00 0.00 C ATOM 244 CE1 TYR A 13 -3.975 -1.966 -7.967 1.00 0.00 C ATOM 245 CE2 TYR A 13 -3.801 0.420 -7.574 1.00 0.00 C ATOM 246 CZ TYR A 13 -3.492 -0.708 -8.342 1.00 0.00 C ATOM 247 OH TYR A 13 -2.709 -0.578 -9.469 1.00 0.00 O ATOM 0 H TYR A 13 -6.847 -1.049 -2.595 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.766 -2.655 -3.809 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.753 -1.797 -5.002 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.371 -0.146 -4.556 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.143 -3.069 -6.534 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.833 1.159 -5.835 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.735 -2.836 -8.561 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.428 1.391 -7.865 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.459 0.362 -9.587 1.00 0.00 H new ATOM 257 N PHE A 14 -3.926 0.429 -2.988 1.00 0.00 N ATOM 258 CA PHE A 14 -2.730 1.306 -2.793 1.00 0.00 C ATOM 259 C PHE A 14 -1.972 0.934 -1.508 1.00 0.00 C ATOM 260 O PHE A 14 -0.773 1.112 -1.448 1.00 0.00 O ATOM 261 CB PHE A 14 -3.256 2.743 -2.710 1.00 0.00 C ATOM 262 CG PHE A 14 -2.136 3.701 -3.046 1.00 0.00 C ATOM 263 CD1 PHE A 14 -1.716 3.846 -4.374 1.00 0.00 C ATOM 264 CD2 PHE A 14 -1.515 4.441 -2.032 1.00 0.00 C ATOM 265 CE1 PHE A 14 -0.676 4.730 -4.688 1.00 0.00 C ATOM 266 CE2 PHE A 14 -0.476 5.324 -2.346 1.00 0.00 C ATOM 267 CZ PHE A 14 -0.055 5.468 -3.674 1.00 0.00 C ATOM 0 H PHE A 14 -4.815 0.848 -2.715 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.026 1.187 -3.616 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.087 2.879 -3.402 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.637 2.947 -1.709 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.194 3.276 -5.157 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.838 4.330 -1.007 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.353 4.842 -5.713 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.002 5.895 -1.564 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.748 6.148 -3.915 1.00 0.00 H new ATOM 277 N ILE A 15 -2.641 0.425 -0.491 1.00 0.00 N ATOM 278 CA ILE A 15 -1.933 0.045 0.782 1.00 0.00 C ATOM 279 C ILE A 15 -0.850 -1.002 0.470 1.00 0.00 C ATOM 280 O ILE A 15 0.267 -0.899 0.944 1.00 0.00 O ATOM 281 CB ILE A 15 -3.011 -0.517 1.730 1.00 0.00 C ATOM 282 CG1 ILE A 15 -4.024 0.580 2.116 1.00 0.00 C ATOM 283 CG2 ILE A 15 -2.367 -1.063 3.010 1.00 0.00 C ATOM 284 CD1 ILE A 15 -3.309 1.837 2.629 1.00 0.00 C ATOM 0 H ILE A 15 -3.647 0.257 -0.489 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.434 0.895 1.247 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.527 -1.321 1.205 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.637 0.834 1.251 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.698 0.202 2.885 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.142 -1.456 3.668 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.669 -1.860 2.755 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.831 -0.261 3.518 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.048 2.593 2.894 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.716 1.585 3.509 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.654 2.227 1.850 1.00 0.00 H new ATOM 296 N THR A 16 -1.174 -1.994 -0.333 1.00 0.00 N ATOM 297 CA THR A 16 -0.172 -3.048 -0.700 1.00 0.00 C ATOM 298 C THR A 16 0.969 -2.390 -1.497 1.00 0.00 C ATOM 299 O THR A 16 2.136 -2.626 -1.237 1.00 0.00 O ATOM 300 CB THR A 16 -0.934 -4.062 -1.571 1.00 0.00 C ATOM 301 OG1 THR A 16 -2.100 -4.505 -0.884 1.00 0.00 O ATOM 302 CG2 THR A 16 -0.045 -5.269 -1.884 1.00 0.00 C ATOM 0 H THR A 16 -2.096 -2.117 -0.751 1.00 0.00 H new ATOM 0 HA THR A 16 0.266 -3.537 0.170 1.00 0.00 H new ATOM 0 HB THR A 16 -1.218 -3.575 -2.504 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.847 -3.904 -1.086 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.598 -5.978 -2.501 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.844 -4.937 -2.421 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.253 -5.753 -0.954 1.00 0.00 H new ATOM 310 N ARG A 17 0.623 -1.556 -2.458 1.00 0.00 N ATOM 311 CA ARG A 17 1.657 -0.851 -3.286 1.00 0.00 C ATOM 312 C ARG A 17 2.499 0.059 -2.382 1.00 0.00 C ATOM 313 O ARG A 17 3.707 0.124 -2.513 1.00 0.00 O ATOM 314 CB ARG A 17 0.878 -0.016 -4.313 1.00 0.00 C ATOM 315 CG ARG A 17 0.303 -0.924 -5.408 1.00 0.00 C ATOM 316 CD ARG A 17 1.077 -0.719 -6.716 1.00 0.00 C ATOM 317 NE ARG A 17 0.062 -0.856 -7.803 1.00 0.00 N ATOM 318 CZ ARG A 17 0.040 -1.926 -8.552 1.00 0.00 C ATOM 319 NH1 ARG A 17 0.835 -2.011 -9.590 1.00 0.00 N ATOM 320 NH2 ARG A 17 -0.776 -2.905 -8.260 1.00 0.00 N ATOM 0 H ARG A 17 -0.342 -1.334 -2.704 1.00 0.00 H new ATOM 0 HA ARG A 17 2.334 -1.548 -3.780 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.071 0.523 -3.817 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.535 0.731 -4.758 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.366 -1.967 -5.098 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.753 -0.700 -5.561 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.551 0.262 -6.742 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.870 -1.459 -6.823 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.617 -0.111 -7.961 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.469 -1.243 -9.811 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.820 -2.845 -10.177 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.392 -2.831 -7.450 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.797 -3.742 -8.842 1.00 0.00 H new ATOM 334 N ALA A 18 1.860 0.749 -1.461 1.00 0.00 N ATOM 335 CA ALA A 18 2.598 1.651 -0.525 1.00 0.00 C ATOM 336 C ALA A 18 3.561 0.819 0.331 1.00 0.00 C ATOM 337 O ALA A 18 4.699 1.197 0.515 1.00 0.00 O ATOM 338 CB ALA A 18 1.531 2.326 0.342 1.00 0.00 C ATOM 0 H ALA A 18 0.850 0.722 -1.320 1.00 0.00 H new ATOM 0 HA ALA A 18 3.193 2.397 -1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.011 3.001 1.050 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.850 2.892 -0.294 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.971 1.566 0.888 1.00 0.00 H new ATOM 344 N GLU A 19 3.113 -0.309 0.840 1.00 0.00 N ATOM 345 CA GLU A 19 4.000 -1.184 1.680 1.00 0.00 C ATOM 346 C GLU A 19 5.260 -1.590 0.898 1.00 0.00 C ATOM 347 O GLU A 19 6.318 -1.735 1.475 1.00 0.00 O ATOM 348 CB GLU A 19 3.170 -2.424 2.018 1.00 0.00 C ATOM 349 CG GLU A 19 2.260 -2.129 3.214 1.00 0.00 C ATOM 350 CD GLU A 19 1.415 -3.366 3.527 1.00 0.00 C ATOM 351 OE1 GLU A 19 1.924 -4.250 4.195 1.00 0.00 O ATOM 352 OE2 GLU A 19 0.275 -3.408 3.094 1.00 0.00 O ATOM 0 H GLU A 19 2.165 -0.663 0.709 1.00 0.00 H new ATOM 0 HA GLU A 19 4.332 -0.662 2.578 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.570 -2.717 1.156 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.828 -3.262 2.248 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.859 -1.855 4.082 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.613 -1.280 2.992 1.00 0.00 H new ATOM 359 N ALA A 20 5.156 -1.768 -0.403 1.00 0.00 N ATOM 360 CA ALA A 20 6.352 -2.160 -1.220 1.00 0.00 C ATOM 361 C ALA A 20 7.497 -1.154 -1.017 1.00 0.00 C ATOM 362 O ALA A 20 8.651 -1.539 -0.961 1.00 0.00 O ATOM 363 CB ALA A 20 5.880 -2.163 -2.678 1.00 0.00 C ATOM 0 H ALA A 20 4.292 -1.658 -0.933 1.00 0.00 H new ATOM 0 HA ALA A 20 6.737 -3.136 -0.926 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.709 -2.442 -3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.068 -2.881 -2.796 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.526 -1.168 -2.948 1.00 0.00 H new ATOM 369 N HIS A 21 7.185 0.118 -0.901 1.00 0.00 N ATOM 370 CA HIS A 21 8.253 1.147 -0.691 1.00 0.00 C ATOM 371 C HIS A 21 8.292 1.620 0.776 1.00 0.00 C ATOM 372 O HIS A 21 9.322 2.059 1.250 1.00 0.00 O ATOM 373 CB HIS A 21 7.949 2.293 -1.675 1.00 0.00 C ATOM 374 CG HIS A 21 6.690 3.046 -1.323 1.00 0.00 C ATOM 375 ND1 HIS A 21 6.622 3.925 -0.254 1.00 0.00 N ATOM 376 CD2 HIS A 21 5.449 3.080 -1.910 1.00 0.00 C ATOM 377 CE1 HIS A 21 5.384 4.446 -0.230 1.00 0.00 C ATOM 378 NE2 HIS A 21 4.629 3.966 -1.217 1.00 0.00 N ATOM 0 H HIS A 21 6.235 0.486 -0.943 1.00 0.00 H new ATOM 0 HA HIS A 21 9.245 0.739 -0.885 1.00 0.00 H new ATOM 0 HB2 HIS A 21 8.790 2.986 -1.689 1.00 0.00 H new ATOM 0 HB3 HIS A 21 7.854 1.886 -2.682 1.00 0.00 H new ATOM 0 HD1 HIS A 21 7.377 4.138 0.398 1.00 0.00 H new ATOM 0 HD2 HIS A 21 5.154 2.507 -2.777 1.00 0.00 H new ATOM 0 HE1 HIS A 21 5.043 5.165 0.500 1.00 0.00 H new ATOM 386 N LEU A 22 7.191 1.533 1.495 1.00 0.00 N ATOM 387 CA LEU A 22 7.175 1.976 2.929 1.00 0.00 C ATOM 388 C LEU A 22 7.710 0.867 3.845 1.00 0.00 C ATOM 389 O LEU A 22 8.312 1.153 4.864 1.00 0.00 O ATOM 390 CB LEU A 22 5.711 2.285 3.274 1.00 0.00 C ATOM 391 CG LEU A 22 5.454 3.791 3.167 1.00 0.00 C ATOM 392 CD1 LEU A 22 3.961 4.040 2.931 1.00 0.00 C ATOM 393 CD2 LEU A 22 5.884 4.477 4.468 1.00 0.00 C ATOM 0 H LEU A 22 6.302 1.173 1.147 1.00 0.00 H new ATOM 0 HA LEU A 22 7.811 2.850 3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.048 1.746 2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.486 1.940 4.283 1.00 0.00 H new ATOM 0 HG LEU A 22 6.027 4.197 2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.778 5.112 2.855 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.653 3.553 2.006 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.388 3.633 3.764 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.701 5.549 4.392 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.311 4.069 5.301 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.946 4.301 4.638 1.00 0.00 H new ATOM 405 N GLN A 23 7.506 -0.386 3.498 1.00 0.00 N ATOM 406 CA GLN A 23 8.014 -1.507 4.357 1.00 0.00 C ATOM 407 C GLN A 23 9.402 -1.978 3.885 1.00 0.00 C ATOM 408 O GLN A 23 9.805 -3.090 4.174 1.00 0.00 O ATOM 409 CB GLN A 23 6.988 -2.642 4.223 1.00 0.00 C ATOM 410 CG GLN A 23 5.600 -2.173 4.677 1.00 0.00 C ATOM 411 CD GLN A 23 5.228 -2.856 5.994 1.00 0.00 C ATOM 412 OE1 GLN A 23 5.879 -2.654 6.998 1.00 0.00 O ATOM 413 NE2 GLN A 23 4.203 -3.663 6.038 1.00 0.00 N ATOM 0 H GLN A 23 7.009 -0.680 2.657 1.00 0.00 H new ATOM 0 HA GLN A 23 8.127 -1.187 5.393 1.00 0.00 H new ATOM 0 HB2 GLN A 23 6.943 -2.978 3.187 1.00 0.00 H new ATOM 0 HB3 GLN A 23 7.303 -3.496 4.822 1.00 0.00 H new ATOM 0 HG2 GLN A 23 5.595 -1.090 4.804 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.859 -2.407 3.913 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.653 -3.835 5.196 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.952 -4.121 6.914 1.00 0.00 H new ATOM 422 N VAL A 24 10.134 -1.150 3.174 1.00 0.00 N ATOM 423 CA VAL A 24 11.495 -1.547 2.691 1.00 0.00 C ATOM 424 C VAL A 24 12.582 -0.740 3.430 1.00 0.00 C ATOM 425 O VAL A 24 13.700 -0.622 2.965 1.00 0.00 O ATOM 426 CB VAL A 24 11.466 -1.264 1.176 1.00 0.00 C ATOM 427 CG1 VAL A 24 11.752 0.214 0.878 1.00 0.00 C ATOM 428 CG2 VAL A 24 12.511 -2.137 0.470 1.00 0.00 C ATOM 0 H VAL A 24 9.843 -0.210 2.907 1.00 0.00 H new ATOM 0 HA VAL A 24 11.735 -2.592 2.886 1.00 0.00 H new ATOM 0 HB VAL A 24 10.468 -1.501 0.806 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.724 0.380 -0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.997 0.835 1.361 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.738 0.478 1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.489 -1.936 -0.601 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.502 -1.908 0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 24 12.286 -3.189 0.646 1.00 0.00 H new ATOM 438 N TRP A 25 12.258 -0.191 4.581 1.00 0.00 N ATOM 439 CA TRP A 25 13.253 0.605 5.362 1.00 0.00 C ATOM 440 C TRP A 25 13.246 0.161 6.837 1.00 0.00 C ATOM 441 O TRP A 25 13.329 0.977 7.736 1.00 0.00 O ATOM 442 CB TRP A 25 12.790 2.061 5.207 1.00 0.00 C ATOM 443 CG TRP A 25 13.979 2.968 5.192 1.00 0.00 C ATOM 444 CD1 TRP A 25 14.791 3.169 4.128 1.00 0.00 C ATOM 445 CD2 TRP A 25 14.503 3.798 6.269 1.00 0.00 C ATOM 446 NE1 TRP A 25 15.779 4.067 4.483 1.00 0.00 N ATOM 447 CE2 TRP A 25 15.645 4.483 5.792 1.00 0.00 C ATOM 448 CE3 TRP A 25 14.104 4.018 7.599 1.00 0.00 C ATOM 449 CZ2 TRP A 25 16.365 5.358 6.609 1.00 0.00 C ATOM 450 CZ3 TRP A 25 14.824 4.896 8.422 1.00 0.00 C ATOM 451 CH2 TRP A 25 15.951 5.565 7.929 1.00 0.00 C ATOM 0 H TRP A 25 11.337 -0.264 5.013 1.00 0.00 H new ATOM 0 HA TRP A 25 14.276 0.471 5.010 1.00 0.00 H new ATOM 0 HB2 TRP A 25 12.221 2.176 4.284 1.00 0.00 H new ATOM 0 HB3 TRP A 25 12.125 2.331 6.027 1.00 0.00 H new ATOM 0 HD1 TRP A 25 14.684 2.703 3.159 1.00 0.00 H new ATOM 0 HE1 TRP A 25 16.517 4.384 3.854 1.00 0.00 H new ATOM 0 HE3 TRP A 25 13.237 3.507 7.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 17.234 5.871 6.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 14.507 5.057 9.442 1.00 0.00 H new ATOM 0 HH2 TRP A 25 16.500 6.241 8.568 1.00 0.00 H new ATOM 462 N ILE A 26 13.149 -1.125 7.086 1.00 0.00 N ATOM 463 CA ILE A 26 13.138 -1.633 8.492 1.00 0.00 C ATOM 464 C ILE A 26 13.934 -2.951 8.579 1.00 0.00 C ATOM 465 O ILE A 26 13.731 -3.843 7.772 1.00 0.00 O ATOM 466 CB ILE A 26 11.643 -1.794 8.849 1.00 0.00 C ATOM 467 CG1 ILE A 26 11.465 -1.704 10.370 1.00 0.00 C ATOM 468 CG2 ILE A 26 11.072 -3.130 8.350 1.00 0.00 C ATOM 469 CD1 ILE A 26 10.232 -0.861 10.702 1.00 0.00 C ATOM 0 H ILE A 26 13.077 -1.847 6.369 1.00 0.00 H new ATOM 0 HA ILE A 26 13.620 -0.961 9.201 1.00 0.00 H new ATOM 0 HB ILE A 26 11.098 -0.991 8.354 1.00 0.00 H new ATOM 0 HG12 ILE A 26 11.357 -2.703 10.792 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.352 -1.261 10.823 1.00 0.00 H new ATOM 0 HG21 ILE A 26 10.019 -3.200 8.623 1.00 0.00 H new ATOM 0 HG22 ILE A 26 11.170 -3.185 7.266 1.00 0.00 H new ATOM 0 HG23 ILE A 26 11.621 -3.954 8.807 1.00 0.00 H new ATOM 0 HD11 ILE A 26 10.112 -0.802 11.784 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.357 0.143 10.295 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.347 -1.322 10.264 1.00 0.00 H new ATOM 481 N PRO A 27 14.823 -3.036 9.550 1.00 0.00 N ATOM 482 CA PRO A 27 15.655 -4.265 9.725 1.00 0.00 C ATOM 483 C PRO A 27 14.856 -5.538 10.099 1.00 0.00 C ATOM 484 O PRO A 27 15.168 -6.582 9.557 1.00 0.00 O ATOM 485 CB PRO A 27 16.686 -3.856 10.778 1.00 0.00 C ATOM 486 CG PRO A 27 16.059 -2.735 11.534 1.00 0.00 C ATOM 487 CD PRO A 27 15.149 -2.020 10.570 1.00 0.00 C ATOM 0 HA PRO A 27 16.115 -4.574 8.787 1.00 0.00 H new ATOM 0 HB2 PRO A 27 16.925 -4.690 11.438 1.00 0.00 H new ATOM 0 HB3 PRO A 27 17.620 -3.541 10.312 1.00 0.00 H new ATOM 0 HG2 PRO A 27 15.498 -3.111 12.390 1.00 0.00 H new ATOM 0 HG3 PRO A 27 16.819 -2.058 11.924 1.00 0.00 H new ATOM 0 HD2 PRO A 27 14.251 -1.655 11.068 1.00 0.00 H new ATOM 0 HD3 PRO A 27 15.642 -1.155 10.126 1.00 0.00 H new ATOM 495 N PRO A 28 13.867 -5.464 10.978 1.00 0.00 N ATOM 496 CA PRO A 28 13.090 -6.693 11.333 1.00 0.00 C ATOM 497 C PRO A 28 12.221 -7.146 10.147 1.00 0.00 C ATOM 498 O PRO A 28 12.152 -6.483 9.127 1.00 0.00 O ATOM 499 CB PRO A 28 12.221 -6.248 12.509 1.00 0.00 C ATOM 500 CG PRO A 28 12.084 -4.775 12.342 1.00 0.00 C ATOM 501 CD PRO A 28 13.365 -4.298 11.720 1.00 0.00 C ATOM 0 HA PRO A 28 13.727 -7.542 11.581 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.249 -6.741 12.492 1.00 0.00 H new ATOM 0 HB3 PRO A 28 12.687 -6.497 13.462 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.231 -4.534 11.708 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.914 -4.289 13.303 1.00 0.00 H new ATOM 0 HD2 PRO A 28 13.193 -3.449 11.058 1.00 0.00 H new ATOM 0 HD3 PRO A 28 14.078 -3.972 12.478 1.00 0.00 H new ATOM 509 N LEU A 29 11.556 -8.268 10.278 1.00 0.00 N ATOM 510 CA LEU A 29 10.685 -8.770 9.164 1.00 0.00 C ATOM 511 C LEU A 29 9.208 -8.397 9.391 1.00 0.00 C ATOM 512 O LEU A 29 8.330 -8.967 8.769 1.00 0.00 O ATOM 513 CB LEU A 29 10.871 -10.292 9.159 1.00 0.00 C ATOM 514 CG LEU A 29 12.242 -10.650 8.573 1.00 0.00 C ATOM 515 CD1 LEU A 29 13.220 -10.977 9.705 1.00 0.00 C ATOM 516 CD2 LEU A 29 12.103 -11.870 7.658 1.00 0.00 C ATOM 0 H LEU A 29 11.577 -8.860 11.108 1.00 0.00 H new ATOM 0 HA LEU A 29 10.962 -8.322 8.210 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.787 -10.680 10.174 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.081 -10.761 8.572 1.00 0.00 H new ATOM 0 HG LEU A 29 12.620 -9.802 8.001 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.193 -11.231 9.284 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.323 -10.111 10.359 1.00 0.00 H new ATOM 0 HD13 LEU A 29 12.842 -11.823 10.280 1.00 0.00 H new ATOM 0 HD21 LEU A 29 13.077 -12.125 7.241 1.00 0.00 H new ATOM 0 HD22 LEU A 29 11.722 -12.714 8.233 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.411 -11.640 6.848 1.00 0.00 H new ATOM 528 N ASN A 30 8.932 -7.447 10.267 1.00 0.00 N ATOM 529 CA ASN A 30 7.524 -7.009 10.555 1.00 0.00 C ATOM 530 C ASN A 30 6.616 -8.207 10.902 1.00 0.00 C ATOM 531 O ASN A 30 5.475 -8.271 10.477 1.00 0.00 O ATOM 532 CB ASN A 30 7.056 -6.292 9.279 1.00 0.00 C ATOM 533 CG ASN A 30 6.329 -4.998 9.650 1.00 0.00 C ATOM 534 OD1 ASN A 30 6.956 -3.995 9.931 1.00 0.00 O ATOM 535 ND2 ASN A 30 5.023 -4.972 9.667 1.00 0.00 N ATOM 0 H ASN A 30 9.642 -6.949 10.804 1.00 0.00 H new ATOM 0 HA ASN A 30 7.476 -6.353 11.424 1.00 0.00 H new ATOM 0 HB2 ASN A 30 7.911 -6.070 8.641 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.393 -6.942 8.708 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.533 -4.112 9.915 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.493 -5.811 9.432 1.00 0.00 H new ATOM 542 N VAL A 31 7.113 -9.151 11.671 1.00 0.00 N ATOM 543 CA VAL A 31 6.296 -10.349 12.054 1.00 0.00 C ATOM 544 C VAL A 31 6.864 -11.000 13.327 1.00 0.00 C ATOM 545 O VAL A 31 8.042 -10.886 13.619 1.00 0.00 O ATOM 546 CB VAL A 31 6.367 -11.297 10.841 1.00 0.00 C ATOM 547 CG1 VAL A 31 7.788 -11.844 10.653 1.00 0.00 C ATOM 548 CG2 VAL A 31 5.396 -12.467 11.040 1.00 0.00 C ATOM 0 H VAL A 31 8.059 -9.141 12.053 1.00 0.00 H new ATOM 0 HA VAL A 31 5.263 -10.091 12.285 1.00 0.00 H new ATOM 0 HB VAL A 31 6.090 -10.732 9.951 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.810 -12.510 9.791 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.478 -11.016 10.490 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.087 -12.395 11.545 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.450 -13.135 10.180 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.667 -13.015 11.942 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.380 -12.084 11.139 1.00 0.00 H new ATOM 558 N ARG A 32 6.030 -11.681 14.084 1.00 0.00 N ATOM 559 CA ARG A 32 6.505 -12.347 15.342 1.00 0.00 C ATOM 560 C ARG A 32 7.211 -13.679 15.032 1.00 0.00 C ATOM 561 O ARG A 32 7.193 -14.152 13.908 1.00 0.00 O ATOM 562 CB ARG A 32 5.252 -12.570 16.208 1.00 0.00 C ATOM 563 CG ARG A 32 4.310 -13.597 15.562 1.00 0.00 C ATOM 564 CD ARG A 32 3.399 -14.208 16.632 1.00 0.00 C ATOM 565 NE ARG A 32 3.002 -15.539 16.091 1.00 0.00 N ATOM 566 CZ ARG A 32 3.446 -16.633 16.650 1.00 0.00 C ATOM 567 NH1 ARG A 32 2.879 -17.086 17.737 1.00 0.00 N ATOM 568 NH2 ARG A 32 4.459 -17.267 16.121 1.00 0.00 N ATOM 0 H ARG A 32 5.038 -11.804 13.883 1.00 0.00 H new ATOM 0 HA ARG A 32 7.237 -11.730 15.862 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.547 -12.915 17.199 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.727 -11.625 16.344 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.709 -13.118 14.789 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.890 -14.380 15.074 1.00 0.00 H new ATOM 0 HD2 ARG A 32 3.921 -14.309 17.583 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.527 -13.580 16.812 1.00 0.00 H new ATOM 0 HE ARG A 32 2.382 -15.596 15.283 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.091 -16.585 18.148 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.225 -17.940 18.175 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.900 -16.907 15.275 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.809 -18.122 16.555 1.00 0.00 H new ATOM 582 N GLY A 33 7.829 -14.276 16.025 1.00 0.00 N ATOM 583 CA GLY A 33 8.543 -15.574 15.820 1.00 0.00 C ATOM 584 C GLY A 33 7.549 -16.731 15.928 1.00 0.00 C ATOM 585 O GLY A 33 7.322 -17.194 17.034 1.00 0.00 O ATOM 586 OXT GLY A 33 7.030 -17.135 14.902 1.00 0.00 O ATOM 0 H GLY A 33 7.868 -13.914 16.978 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.024 -15.585 14.842 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.331 -15.688 16.564 1.00 0.00 H new TER 590 GLY A 33