USER MOD reduce.3.24.130724 H: found=0, std=0, add=303, rem=0, adj=2 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 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -170:sc= -0.231 USER MOD Single : A 21 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.54) USER MOD Single : A 23 GLN : amide:sc=-0.00227 K(o=-0.0023,f=-0.66) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -15.426 -7.411 -5.199 1.00 0.00 N ATOM 2 CA LYS A 1 -15.124 -6.704 -6.485 1.00 0.00 C ATOM 3 C LYS A 1 -13.834 -5.880 -6.356 1.00 0.00 C ATOM 4 O LYS A 1 -13.288 -5.739 -5.279 1.00 0.00 O ATOM 5 CB LYS A 1 -16.332 -5.794 -6.755 1.00 0.00 C ATOM 6 CG LYS A 1 -16.969 -6.166 -8.098 1.00 0.00 C ATOM 7 CD LYS A 1 -18.390 -5.594 -8.175 1.00 0.00 C ATOM 8 CE LYS A 1 -18.679 -5.105 -9.602 1.00 0.00 C ATOM 9 NZ LYS A 1 -19.515 -6.168 -10.236 1.00 0.00 N ATOM 0 H1 LYS A 1 -16.301 -7.963 -5.304 1.00 0.00 H new ATOM 0 H2 LYS A 1 -14.640 -8.049 -4.961 1.00 0.00 H new ATOM 0 H3 LYS A 1 -15.547 -6.712 -4.439 1.00 0.00 H new ATOM 0 HA LYS A 1 -14.966 -7.406 -7.304 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -17.064 -5.897 -5.954 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -16.018 -4.750 -6.767 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -16.365 -5.776 -8.918 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -16.997 -7.250 -8.210 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -19.114 -6.356 -7.889 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -18.499 -4.770 -7.470 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -19.205 -4.150 -9.589 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -17.754 -4.952 -10.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -19.745 -5.893 -11.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -18.988 -7.065 -10.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -20.394 -6.288 -9.694 1.00 0.00 H new ATOM 22 N LEU A 2 -13.349 -5.338 -7.448 1.00 0.00 N ATOM 23 CA LEU A 2 -12.097 -4.521 -7.411 1.00 0.00 C ATOM 24 C LEU A 2 -12.450 -3.033 -7.491 1.00 0.00 C ATOM 25 O LEU A 2 -13.352 -2.648 -8.214 1.00 0.00 O ATOM 26 CB LEU A 2 -11.286 -4.951 -8.639 1.00 0.00 C ATOM 27 CG LEU A 2 -10.224 -5.981 -8.238 1.00 0.00 C ATOM 28 CD1 LEU A 2 -10.857 -7.370 -8.134 1.00 0.00 C ATOM 29 CD2 LEU A 2 -9.122 -6.008 -9.300 1.00 0.00 C ATOM 0 H LEU A 2 -13.772 -5.429 -8.372 1.00 0.00 H new ATOM 0 HA LEU A 2 -11.532 -4.673 -6.491 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.950 -5.377 -9.392 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -10.808 -4.082 -9.091 1.00 0.00 H new ATOM 0 HG LEU A 2 -9.803 -5.705 -7.271 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -10.096 -8.096 -7.849 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -11.645 -7.355 -7.381 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -11.282 -7.649 -9.098 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -8.364 -6.739 -9.019 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.552 -6.282 -10.263 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.664 -5.022 -9.375 1.00 0.00 H new ATOM 41 N PHE A 3 -11.743 -2.209 -6.747 1.00 0.00 N ATOM 42 CA PHE A 3 -12.004 -0.726 -6.740 1.00 0.00 C ATOM 43 C PHE A 3 -13.448 -0.436 -6.282 1.00 0.00 C ATOM 44 O PHE A 3 -14.032 0.564 -6.656 1.00 0.00 O ATOM 45 CB PHE A 3 -11.789 -0.267 -8.193 1.00 0.00 C ATOM 46 CG PHE A 3 -11.089 1.077 -8.252 1.00 0.00 C ATOM 47 CD1 PHE A 3 -11.726 2.233 -7.779 1.00 0.00 C ATOM 48 CD2 PHE A 3 -9.801 1.166 -8.793 1.00 0.00 C ATOM 49 CE1 PHE A 3 -11.076 3.470 -7.847 1.00 0.00 C ATOM 50 CE2 PHE A 3 -9.153 2.404 -8.863 1.00 0.00 C ATOM 51 CZ PHE A 3 -9.790 3.556 -8.389 1.00 0.00 C ATOM 0 H PHE A 3 -10.984 -2.505 -6.134 1.00 0.00 H new ATOM 0 HA PHE A 3 -11.345 -0.199 -6.050 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -11.197 -1.011 -8.727 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -12.751 -0.200 -8.701 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -12.720 2.168 -7.362 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -9.307 0.277 -9.157 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -11.568 4.359 -7.481 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -8.160 2.470 -9.283 1.00 0.00 H new ATOM 0 HZ PHE A 3 -9.289 4.511 -8.442 1.00 0.00 H new ATOM 61 N LEU A 4 -14.031 -1.301 -5.481 1.00 0.00 N ATOM 62 CA LEU A 4 -15.434 -1.085 -5.004 1.00 0.00 C ATOM 63 C LEU A 4 -15.530 -1.430 -3.507 1.00 0.00 C ATOM 64 O LEU A 4 -14.651 -1.053 -2.751 1.00 0.00 O ATOM 65 CB LEU A 4 -16.296 -2.005 -5.888 1.00 0.00 C ATOM 66 CG LEU A 4 -16.309 -1.497 -7.338 1.00 0.00 C ATOM 67 CD1 LEU A 4 -16.598 -2.658 -8.289 1.00 0.00 C ATOM 68 CD2 LEU A 4 -17.398 -0.431 -7.502 1.00 0.00 C ATOM 0 H LEU A 4 -13.589 -2.153 -5.136 1.00 0.00 H new ATOM 0 HA LEU A 4 -15.771 -0.052 -5.089 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -15.905 -3.022 -5.856 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -17.314 -2.043 -5.500 1.00 0.00 H new ATOM 0 HG LEU A 4 -15.336 -1.066 -7.572 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -16.606 -2.293 -9.316 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -15.825 -3.419 -8.180 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -17.569 -3.091 -8.050 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -17.404 -0.073 -8.531 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -18.369 -0.863 -7.262 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -17.196 0.402 -6.829 1.00 0.00 H new ATOM 80 N ALA A 5 -16.572 -2.121 -3.065 1.00 0.00 N ATOM 81 CA ALA A 5 -16.719 -2.471 -1.610 1.00 0.00 C ATOM 82 C ALA A 5 -16.669 -1.179 -0.787 1.00 0.00 C ATOM 83 O ALA A 5 -15.873 -1.045 0.117 1.00 0.00 O ATOM 84 CB ALA A 5 -15.550 -3.416 -1.285 1.00 0.00 C ATOM 0 H ALA A 5 -17.329 -2.457 -3.660 1.00 0.00 H new ATOM 0 HA ALA A 5 -17.665 -2.961 -1.377 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -15.600 -3.709 -0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -15.615 -4.304 -1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -14.606 -2.905 -1.475 1.00 0.00 H new ATOM 90 N ARG A 6 -17.511 -0.215 -1.119 1.00 0.00 N ATOM 91 CA ARG A 6 -17.524 1.103 -0.396 1.00 0.00 C ATOM 92 C ARG A 6 -16.116 1.717 -0.503 1.00 0.00 C ATOM 93 O ARG A 6 -15.599 2.304 0.432 1.00 0.00 O ATOM 94 CB ARG A 6 -17.909 0.802 1.062 1.00 0.00 C ATOM 95 CG ARG A 6 -19.410 1.035 1.271 1.00 0.00 C ATOM 96 CD ARG A 6 -20.110 -0.296 1.571 1.00 0.00 C ATOM 97 NE ARG A 6 -21.143 0.021 2.600 1.00 0.00 N ATOM 98 CZ ARG A 6 -21.062 -0.502 3.796 1.00 0.00 C ATOM 99 NH1 ARG A 6 -20.286 0.047 4.695 1.00 0.00 N ATOM 100 NH2 ARG A 6 -21.757 -1.573 4.084 1.00 0.00 N ATOM 0 H ARG A 6 -18.197 -0.291 -1.870 1.00 0.00 H new ATOM 0 HA ARG A 6 -18.235 1.815 -0.816 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -17.656 -0.229 1.307 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -17.337 1.440 1.736 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -19.567 1.732 2.094 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -19.843 1.491 0.381 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -20.566 -0.711 0.672 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -19.402 -1.037 1.941 1.00 0.00 H new ATOM 0 HE ARG A 6 -21.914 0.647 2.370 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -19.746 0.881 4.462 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -20.221 -0.359 5.629 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -22.358 -1.996 3.377 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -21.697 -1.985 5.015 1.00 0.00 H new ATOM 114 N LEU A 7 -15.496 1.552 -1.659 1.00 0.00 N ATOM 115 CA LEU A 7 -14.112 2.065 -1.923 1.00 0.00 C ATOM 116 C LEU A 7 -13.097 1.461 -0.931 1.00 0.00 C ATOM 117 O LEU A 7 -12.025 2.001 -0.728 1.00 0.00 O ATOM 118 CB LEU A 7 -14.194 3.592 -1.808 1.00 0.00 C ATOM 119 CG LEU A 7 -13.074 4.231 -2.637 1.00 0.00 C ATOM 120 CD1 LEU A 7 -13.428 4.172 -4.127 1.00 0.00 C ATOM 121 CD2 LEU A 7 -12.903 5.692 -2.215 1.00 0.00 C ATOM 0 H LEU A 7 -15.913 1.065 -2.453 1.00 0.00 H new ATOM 0 HA LEU A 7 -13.760 1.775 -2.913 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -15.165 3.942 -2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -14.105 3.894 -0.764 1.00 0.00 H new ATOM 0 HG LEU A 7 -12.146 3.686 -2.467 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -12.627 4.628 -4.710 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -13.551 3.132 -4.431 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -14.358 4.714 -4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.107 6.150 -2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -13.835 6.231 -2.384 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -12.645 5.737 -1.157 1.00 0.00 H new ATOM 133 N ILE A 8 -13.421 0.337 -0.323 1.00 0.00 N ATOM 134 CA ILE A 8 -12.479 -0.312 0.643 1.00 0.00 C ATOM 135 C ILE A 8 -11.412 -1.064 -0.156 1.00 0.00 C ATOM 136 O ILE A 8 -10.231 -0.942 0.114 1.00 0.00 O ATOM 137 CB ILE A 8 -13.341 -1.267 1.492 1.00 0.00 C ATOM 138 CG1 ILE A 8 -14.170 -0.439 2.483 1.00 0.00 C ATOM 139 CG2 ILE A 8 -12.457 -2.253 2.265 1.00 0.00 C ATOM 140 CD1 ILE A 8 -15.194 -1.332 3.191 1.00 0.00 C ATOM 0 H ILE A 8 -14.303 -0.157 -0.458 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.964 0.398 1.289 1.00 0.00 H new ATOM 0 HB ILE A 8 -13.997 -1.835 0.832 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -13.513 0.027 3.218 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -14.682 0.367 1.956 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.086 -2.918 2.858 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.868 -2.842 1.562 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.788 -1.701 2.926 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.776 -0.733 3.892 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -15.861 -1.777 2.453 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.674 -2.122 3.733 1.00 0.00 H new ATOM 152 N TRP A 9 -11.828 -1.831 -1.142 1.00 0.00 N ATOM 153 CA TRP A 9 -10.853 -2.597 -1.987 1.00 0.00 C ATOM 154 C TRP A 9 -9.878 -1.632 -2.684 1.00 0.00 C ATOM 155 O TRP A 9 -8.705 -1.929 -2.805 1.00 0.00 O ATOM 156 CB TRP A 9 -11.691 -3.370 -3.014 1.00 0.00 C ATOM 157 CG TRP A 9 -11.664 -4.831 -2.687 1.00 0.00 C ATOM 158 CD1 TRP A 9 -12.316 -5.412 -1.652 1.00 0.00 C ATOM 159 CD2 TRP A 9 -10.958 -5.905 -3.378 1.00 0.00 C ATOM 160 NE1 TRP A 9 -12.057 -6.770 -1.665 1.00 0.00 N ATOM 161 CE2 TRP A 9 -11.227 -7.123 -2.708 1.00 0.00 C ATOM 162 CE3 TRP A 9 -10.123 -5.938 -4.507 1.00 0.00 C ATOM 163 CZ2 TRP A 9 -10.683 -8.333 -3.147 1.00 0.00 C ATOM 164 CZ3 TRP A 9 -9.576 -7.152 -4.949 1.00 0.00 C ATOM 165 CH2 TRP A 9 -9.855 -8.345 -4.273 1.00 0.00 C ATOM 0 H TRP A 9 -12.807 -1.959 -1.398 1.00 0.00 H new ATOM 0 HA TRP A 9 -10.249 -3.278 -1.387 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -12.718 -3.005 -3.009 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -11.299 -3.204 -4.017 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -12.937 -4.898 -0.933 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -12.434 -7.431 -0.985 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -9.901 -5.024 -5.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -10.900 -9.251 -2.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -8.935 -7.166 -5.818 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -9.431 -9.275 -4.621 1.00 0.00 H new ATOM 176 N TRP A 10 -10.350 -0.485 -3.130 1.00 0.00 N ATOM 177 CA TRP A 10 -9.445 0.501 -3.808 1.00 0.00 C ATOM 178 C TRP A 10 -8.395 0.987 -2.796 1.00 0.00 C ATOM 179 O TRP A 10 -7.213 1.014 -3.086 1.00 0.00 O ATOM 180 CB TRP A 10 -10.352 1.655 -4.270 1.00 0.00 C ATOM 181 CG TRP A 10 -9.529 2.815 -4.752 1.00 0.00 C ATOM 182 CD1 TRP A 10 -9.796 4.114 -4.487 1.00 0.00 C ATOM 183 CD2 TRP A 10 -8.317 2.807 -5.568 1.00 0.00 C ATOM 184 NE1 TRP A 10 -8.831 4.902 -5.088 1.00 0.00 N ATOM 185 CE2 TRP A 10 -7.899 4.145 -5.765 1.00 0.00 C ATOM 186 CE3 TRP A 10 -7.549 1.783 -6.150 1.00 0.00 C ATOM 187 CZ2 TRP A 10 -6.760 4.455 -6.512 1.00 0.00 C ATOM 188 CZ3 TRP A 10 -6.405 2.090 -6.901 1.00 0.00 C ATOM 189 CH2 TRP A 10 -6.012 3.421 -7.083 1.00 0.00 C ATOM 0 H TRP A 10 -11.324 -0.192 -3.052 1.00 0.00 H new ATOM 0 HA TRP A 10 -8.911 0.073 -4.656 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -11.008 1.311 -5.069 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -10.992 1.973 -3.447 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -10.628 4.477 -3.901 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -8.811 5.921 -5.036 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -7.842 0.752 -6.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -6.460 5.484 -6.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -5.823 1.294 -7.342 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -5.131 3.649 -7.664 1.00 0.00 H new ATOM 200 N LEU A 11 -8.832 1.359 -1.612 1.00 0.00 N ATOM 201 CA LEU A 11 -7.889 1.842 -0.551 1.00 0.00 C ATOM 202 C LEU A 11 -6.862 0.745 -0.221 1.00 0.00 C ATOM 203 O LEU A 11 -5.691 1.032 -0.060 1.00 0.00 O ATOM 204 CB LEU A 11 -8.772 2.160 0.666 1.00 0.00 C ATOM 205 CG LEU A 11 -9.102 3.662 0.727 1.00 0.00 C ATOM 206 CD1 LEU A 11 -9.573 4.180 -0.638 1.00 0.00 C ATOM 207 CD2 LEU A 11 -10.216 3.889 1.752 1.00 0.00 C ATOM 0 H LEU A 11 -9.813 1.348 -1.334 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.322 2.718 -0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.695 1.583 0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.261 1.858 1.580 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.199 4.201 1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.799 5.244 -0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.786 4.026 -1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.469 3.639 -0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.455 4.951 1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.104 3.331 1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.884 3.547 2.732 1.00 0.00 H new ATOM 219 N GLN A 12 -7.294 -0.499 -0.133 1.00 0.00 N ATOM 220 CA GLN A 12 -6.344 -1.621 0.175 1.00 0.00 C ATOM 221 C GLN A 12 -5.257 -1.676 -0.909 1.00 0.00 C ATOM 222 O GLN A 12 -4.083 -1.728 -0.598 1.00 0.00 O ATOM 223 CB GLN A 12 -7.178 -2.911 0.173 1.00 0.00 C ATOM 224 CG GLN A 12 -6.368 -4.048 0.812 1.00 0.00 C ATOM 225 CD GLN A 12 -7.028 -5.400 0.514 1.00 0.00 C ATOM 226 OE1 GLN A 12 -6.583 -6.125 -0.352 1.00 0.00 O ATOM 227 NE2 GLN A 12 -8.073 -5.773 1.201 1.00 0.00 N ATOM 0 H GLN A 12 -8.265 -0.783 -0.262 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.850 -1.485 1.137 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.106 -2.757 0.724 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.454 -3.176 -0.848 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.349 -4.040 0.426 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.302 -3.897 1.889 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.448 -5.165 1.929 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -8.514 -6.672 1.010 1.00 0.00 H new ATOM 236 N TYR A 13 -5.655 -1.651 -2.166 1.00 0.00 N ATOM 237 CA TYR A 13 -4.674 -1.688 -3.305 1.00 0.00 C ATOM 238 C TYR A 13 -3.677 -0.525 -3.178 1.00 0.00 C ATOM 239 O TYR A 13 -2.493 -0.688 -3.415 1.00 0.00 O ATOM 240 CB TYR A 13 -5.515 -1.538 -4.583 1.00 0.00 C ATOM 241 CG TYR A 13 -5.826 -2.899 -5.166 1.00 0.00 C ATOM 242 CD1 TYR A 13 -6.555 -3.838 -4.421 1.00 0.00 C ATOM 243 CD2 TYR A 13 -5.385 -3.224 -6.455 1.00 0.00 C ATOM 244 CE1 TYR A 13 -6.839 -5.094 -4.964 1.00 0.00 C ATOM 245 CE2 TYR A 13 -5.672 -4.483 -6.998 1.00 0.00 C ATOM 246 CZ TYR A 13 -6.399 -5.417 -6.252 1.00 0.00 C ATOM 247 OH TYR A 13 -6.682 -6.656 -6.786 1.00 0.00 O ATOM 0 H TYR A 13 -6.633 -1.606 -2.453 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.095 -2.612 -3.314 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.442 -1.010 -4.357 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.975 -0.936 -5.314 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.897 -3.590 -3.427 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.823 -2.503 -7.031 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.399 -5.816 -4.388 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.332 -4.733 -7.992 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.305 -6.717 -7.689 1.00 0.00 H new ATOM 257 N PHE A 14 -4.157 0.639 -2.795 1.00 0.00 N ATOM 258 CA PHE A 14 -3.257 1.825 -2.632 1.00 0.00 C ATOM 259 C PHE A 14 -2.208 1.531 -1.543 1.00 0.00 C ATOM 260 O PHE A 14 -1.050 1.885 -1.682 1.00 0.00 O ATOM 261 CB PHE A 14 -4.177 2.980 -2.217 1.00 0.00 C ATOM 262 CG PHE A 14 -3.544 4.296 -2.598 1.00 0.00 C ATOM 263 CD1 PHE A 14 -3.681 4.789 -3.902 1.00 0.00 C ATOM 264 CD2 PHE A 14 -2.820 5.023 -1.646 1.00 0.00 C ATOM 265 CE1 PHE A 14 -3.092 6.009 -4.253 1.00 0.00 C ATOM 266 CE2 PHE A 14 -2.233 6.243 -1.996 1.00 0.00 C ATOM 267 CZ PHE A 14 -2.368 6.736 -3.300 1.00 0.00 C ATOM 0 H PHE A 14 -5.140 0.816 -2.588 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.711 2.066 -3.544 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.147 2.878 -2.703 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.354 2.948 -1.142 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.241 4.228 -4.636 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.715 4.642 -0.641 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.196 6.390 -5.258 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.676 6.805 -1.261 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.913 7.678 -3.571 1.00 0.00 H new ATOM 277 N ILE A 15 -2.618 0.877 -0.476 1.00 0.00 N ATOM 278 CA ILE A 15 -1.672 0.530 0.632 1.00 0.00 C ATOM 279 C ILE A 15 -0.736 -0.593 0.159 1.00 0.00 C ATOM 280 O ILE A 15 0.424 -0.603 0.517 1.00 0.00 O ATOM 281 CB ILE A 15 -2.544 0.076 1.817 1.00 0.00 C ATOM 282 CG1 ILE A 15 -3.459 1.224 2.263 1.00 0.00 C ATOM 283 CG2 ILE A 15 -1.661 -0.339 3.002 1.00 0.00 C ATOM 284 CD1 ILE A 15 -4.717 0.653 2.918 1.00 0.00 C ATOM 0 H ILE A 15 -3.578 0.567 -0.328 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.047 1.373 0.927 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.144 -0.775 1.494 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.932 1.870 2.965 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.731 1.840 1.406 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.292 -0.657 3.832 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.013 -1.163 2.702 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.050 0.508 3.315 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.366 1.470 3.234 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.247 0.025 2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.436 0.056 3.786 1.00 0.00 H new ATOM 296 N THR A 16 -1.226 -1.523 -0.644 1.00 0.00 N ATOM 297 CA THR A 16 -0.359 -2.642 -1.154 1.00 0.00 C ATOM 298 C THR A 16 0.886 -2.041 -1.826 1.00 0.00 C ATOM 299 O THR A 16 2.000 -2.461 -1.571 1.00 0.00 O ATOM 300 CB THR A 16 -1.200 -3.425 -2.183 1.00 0.00 C ATOM 301 OG1 THR A 16 -2.535 -3.612 -1.716 1.00 0.00 O ATOM 302 CG2 THR A 16 -0.559 -4.792 -2.446 1.00 0.00 C ATOM 0 H THR A 16 -2.193 -1.552 -0.967 1.00 0.00 H new ATOM 0 HA THR A 16 -0.032 -3.301 -0.350 1.00 0.00 H new ATOM 0 HB THR A 16 -1.231 -2.847 -3.106 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.003 -4.240 -2.305 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.157 -5.341 -3.173 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.449 -4.652 -2.837 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.512 -5.357 -1.515 1.00 0.00 H new ATOM 310 N ARG A 17 0.690 -1.046 -2.666 1.00 0.00 N ATOM 311 CA ARG A 17 1.846 -0.384 -3.351 1.00 0.00 C ATOM 312 C ARG A 17 2.678 0.367 -2.298 1.00 0.00 C ATOM 313 O ARG A 17 3.892 0.402 -2.381 1.00 0.00 O ATOM 314 CB ARG A 17 1.226 0.587 -4.367 1.00 0.00 C ATOM 315 CG ARG A 17 2.329 1.330 -5.131 1.00 0.00 C ATOM 316 CD ARG A 17 2.345 2.808 -4.715 1.00 0.00 C ATOM 317 NE ARG A 17 1.867 3.566 -5.909 1.00 0.00 N ATOM 318 CZ ARG A 17 0.587 3.697 -6.141 1.00 0.00 C ATOM 319 NH1 ARG A 17 -0.071 4.698 -5.612 1.00 0.00 N ATOM 320 NH2 ARG A 17 -0.026 2.828 -6.904 1.00 0.00 N ATOM 0 H ARG A 17 -0.225 -0.665 -2.905 1.00 0.00 H new ATOM 0 HA ARG A 17 2.507 -1.091 -3.852 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.595 0.039 -5.067 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.585 1.303 -3.853 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.297 0.874 -4.925 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.160 1.247 -6.205 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.697 2.980 -3.856 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.348 3.123 -4.426 1.00 0.00 H new ATOM 0 HE ARG A 17 2.543 3.984 -6.548 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.415 5.372 -5.021 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.070 4.803 -5.791 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.495 2.053 -7.315 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.024 2.926 -7.088 1.00 0.00 H new ATOM 334 N ALA A 18 2.031 0.953 -1.309 1.00 0.00 N ATOM 335 CA ALA A 18 2.767 1.694 -0.235 1.00 0.00 C ATOM 336 C ALA A 18 3.618 0.703 0.571 1.00 0.00 C ATOM 337 O ALA A 18 4.763 0.976 0.880 1.00 0.00 O ATOM 338 CB ALA A 18 1.688 2.330 0.648 1.00 0.00 C ATOM 0 H ALA A 18 1.016 0.947 -1.203 1.00 0.00 H new ATOM 0 HA ALA A 18 3.438 2.453 -0.637 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.161 2.888 1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.079 3.006 0.048 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.055 1.549 1.069 1.00 0.00 H new ATOM 344 N GLU A 19 3.063 -0.446 0.898 1.00 0.00 N ATOM 345 CA GLU A 19 3.818 -1.484 1.674 1.00 0.00 C ATOM 346 C GLU A 19 5.043 -1.945 0.867 1.00 0.00 C ATOM 347 O GLU A 19 6.095 -2.201 1.425 1.00 0.00 O ATOM 348 CB GLU A 19 2.830 -2.637 1.890 1.00 0.00 C ATOM 349 CG GLU A 19 1.842 -2.258 2.998 1.00 0.00 C ATOM 350 CD GLU A 19 0.621 -3.180 2.955 1.00 0.00 C ATOM 351 OE1 GLU A 19 -0.178 -3.045 2.043 1.00 0.00 O ATOM 352 OE2 GLU A 19 0.501 -4.009 3.842 1.00 0.00 O ATOM 0 H GLU A 19 2.108 -0.709 0.656 1.00 0.00 H new ATOM 0 HA GLU A 19 4.189 -1.104 2.626 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.293 -2.849 0.965 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.368 -3.545 2.162 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.329 -2.332 3.970 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.528 -1.221 2.877 1.00 0.00 H new ATOM 359 N ALA A 20 4.915 -2.032 -0.443 1.00 0.00 N ATOM 360 CA ALA A 20 6.070 -2.453 -1.304 1.00 0.00 C ATOM 361 C ALA A 20 7.214 -1.442 -1.120 1.00 0.00 C ATOM 362 O ALA A 20 8.371 -1.809 -1.045 1.00 0.00 O ATOM 363 CB ALA A 20 5.545 -2.428 -2.744 1.00 0.00 C ATOM 0 H ALA A 20 4.055 -1.828 -0.952 1.00 0.00 H new ATOM 0 HA ALA A 20 6.451 -3.442 -1.049 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.341 -2.726 -3.427 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.708 -3.120 -2.838 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.212 -1.420 -2.993 1.00 0.00 H new ATOM 369 N HIS A 21 6.878 -0.174 -1.034 1.00 0.00 N ATOM 370 CA HIS A 21 7.911 0.893 -0.836 1.00 0.00 C ATOM 371 C HIS A 21 8.345 0.912 0.641 1.00 0.00 C ATOM 372 O HIS A 21 9.502 1.139 0.947 1.00 0.00 O ATOM 373 CB HIS A 21 7.209 2.213 -1.193 1.00 0.00 C ATOM 374 CG HIS A 21 7.742 2.754 -2.490 1.00 0.00 C ATOM 375 ND1 HIS A 21 8.846 3.590 -2.545 1.00 0.00 N ATOM 376 CD2 HIS A 21 7.330 2.595 -3.791 1.00 0.00 C ATOM 377 CE1 HIS A 21 9.059 3.900 -3.836 1.00 0.00 C ATOM 378 NE2 HIS A 21 8.164 3.320 -4.639 1.00 0.00 N ATOM 0 H HIS A 21 5.919 0.169 -1.094 1.00 0.00 H new ATOM 0 HA HIS A 21 8.799 0.730 -1.447 1.00 0.00 H new ATOM 0 HB2 HIS A 21 6.134 2.051 -1.273 1.00 0.00 H new ATOM 0 HB3 HIS A 21 7.363 2.941 -0.397 1.00 0.00 H new ATOM 0 HD2 HIS A 21 6.487 1.998 -4.108 1.00 0.00 H new ATOM 0 HE1 HIS A 21 9.857 4.540 -4.181 1.00 0.00 H new ATOM 0 HE2 HIS A 21 8.104 3.392 -5.655 1.00 0.00 H new ATOM 386 N LEU A 22 7.409 0.679 1.541 1.00 0.00 N ATOM 387 CA LEU A 22 7.683 0.675 3.019 1.00 0.00 C ATOM 388 C LEU A 22 8.855 -0.237 3.421 1.00 0.00 C ATOM 389 O LEU A 22 9.538 0.054 4.383 1.00 0.00 O ATOM 390 CB LEU A 22 6.380 0.188 3.667 1.00 0.00 C ATOM 391 CG LEU A 22 6.323 0.604 5.141 1.00 0.00 C ATOM 392 CD1 LEU A 22 6.056 2.108 5.251 1.00 0.00 C ATOM 393 CD2 LEU A 22 5.192 -0.160 5.837 1.00 0.00 C ATOM 0 H LEU A 22 6.437 0.486 1.301 1.00 0.00 H new ATOM 0 HA LEU A 22 7.979 1.671 3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.525 0.602 3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.311 -0.897 3.587 1.00 0.00 H new ATOM 0 HG LEU A 22 7.277 0.373 5.616 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.017 2.395 6.302 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.856 2.657 4.754 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.104 2.344 4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.147 0.132 6.886 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.243 0.075 5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.380 -1.231 5.767 1.00 0.00 H new ATOM 405 N GLN A 23 9.110 -1.322 2.720 1.00 0.00 N ATOM 406 CA GLN A 23 10.257 -2.212 3.113 1.00 0.00 C ATOM 407 C GLN A 23 11.592 -1.711 2.517 1.00 0.00 C ATOM 408 O GLN A 23 12.342 -2.474 1.934 1.00 0.00 O ATOM 409 CB GLN A 23 9.887 -3.629 2.632 1.00 0.00 C ATOM 410 CG GLN A 23 9.844 -3.719 1.100 1.00 0.00 C ATOM 411 CD GLN A 23 9.137 -5.014 0.686 1.00 0.00 C ATOM 412 OE1 GLN A 23 9.780 -6.006 0.406 1.00 0.00 O ATOM 413 NE2 GLN A 23 7.833 -5.052 0.635 1.00 0.00 N ATOM 0 H GLN A 23 8.581 -1.627 1.903 1.00 0.00 H new ATOM 0 HA GLN A 23 10.413 -2.208 4.192 1.00 0.00 H new ATOM 0 HB2 GLN A 23 10.613 -4.345 3.018 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.916 -3.909 3.040 1.00 0.00 H new ATOM 0 HG2 GLN A 23 9.318 -2.857 0.689 1.00 0.00 H new ATOM 0 HG3 GLN A 23 10.856 -3.698 0.695 1.00 0.00 H new ATOM 0 HE21 GLN A 23 7.289 -4.222 0.869 1.00 0.00 H new ATOM 0 HE22 GLN A 23 7.358 -5.912 0.361 1.00 0.00 H new ATOM 422 N VAL A 24 11.877 -0.426 2.680 1.00 0.00 N ATOM 423 CA VAL A 24 13.137 0.236 2.171 1.00 0.00 C ATOM 424 C VAL A 24 13.625 -0.306 0.812 1.00 0.00 C ATOM 425 O VAL A 24 14.819 -0.394 0.579 1.00 0.00 O ATOM 426 CB VAL A 24 14.210 0.051 3.262 1.00 0.00 C ATOM 427 CG1 VAL A 24 13.749 0.694 4.574 1.00 0.00 C ATOM 428 CG2 VAL A 24 14.508 -1.436 3.509 1.00 0.00 C ATOM 0 H VAL A 24 11.255 0.217 3.169 1.00 0.00 H new ATOM 0 HA VAL A 24 12.930 1.289 1.982 1.00 0.00 H new ATOM 0 HB VAL A 24 15.121 0.536 2.911 1.00 0.00 H new ATOM 0 HG11 VAL A 24 14.516 0.556 5.336 1.00 0.00 H new ATOM 0 HG12 VAL A 24 13.580 1.759 4.417 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.822 0.225 4.903 1.00 0.00 H new ATOM 0 HG21 VAL A 24 15.269 -1.531 4.284 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.597 -1.941 3.831 1.00 0.00 H new ATOM 0 HG23 VAL A 24 14.870 -1.893 2.588 1.00 0.00 H new ATOM 438 N TRP A 25 12.714 -0.659 -0.074 1.00 0.00 N ATOM 439 CA TRP A 25 13.086 -1.200 -1.425 1.00 0.00 C ATOM 440 C TRP A 25 14.228 -2.227 -1.305 1.00 0.00 C ATOM 441 O TRP A 25 15.246 -2.123 -1.966 1.00 0.00 O ATOM 442 CB TRP A 25 13.496 0.027 -2.256 1.00 0.00 C ATOM 443 CG TRP A 25 12.425 0.323 -3.259 1.00 0.00 C ATOM 444 CD1 TRP A 25 11.212 0.847 -2.968 1.00 0.00 C ATOM 445 CD2 TRP A 25 12.450 0.121 -4.702 1.00 0.00 C ATOM 446 NE1 TRP A 25 10.492 0.978 -4.139 1.00 0.00 N ATOM 447 CE2 TRP A 25 11.210 0.546 -5.235 1.00 0.00 C ATOM 448 CE3 TRP A 25 13.416 -0.382 -5.590 1.00 0.00 C ATOM 449 CZ2 TRP A 25 10.938 0.473 -6.604 1.00 0.00 C ATOM 450 CZ3 TRP A 25 13.148 -0.458 -6.965 1.00 0.00 C ATOM 451 CH2 TRP A 25 11.912 -0.031 -7.471 1.00 0.00 C ATOM 0 H TRP A 25 11.709 -0.592 0.088 1.00 0.00 H new ATOM 0 HA TRP A 25 12.262 -1.733 -1.899 1.00 0.00 H new ATOM 0 HB2 TRP A 25 13.649 0.888 -1.605 1.00 0.00 H new ATOM 0 HB3 TRP A 25 14.443 -0.162 -2.762 1.00 0.00 H new ATOM 0 HD1 TRP A 25 10.864 1.118 -1.982 1.00 0.00 H new ATOM 0 HE1 TRP A 25 9.543 1.350 -4.188 1.00 0.00 H new ATOM 0 HE3 TRP A 25 14.372 -0.713 -5.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 9.984 0.803 -6.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 13.898 -0.848 -7.638 1.00 0.00 H new ATOM 0 HH2 TRP A 25 11.712 -0.091 -8.531 1.00 0.00 H new ATOM 462 N ILE A 26 14.052 -3.210 -0.451 1.00 0.00 N ATOM 463 CA ILE A 26 15.100 -4.261 -0.245 1.00 0.00 C ATOM 464 C ILE A 26 15.303 -5.099 -1.527 1.00 0.00 C ATOM 465 O ILE A 26 14.413 -5.821 -1.938 1.00 0.00 O ATOM 466 CB ILE A 26 14.606 -5.109 0.947 1.00 0.00 C ATOM 467 CG1 ILE A 26 15.661 -6.162 1.309 1.00 0.00 C ATOM 468 CG2 ILE A 26 13.277 -5.814 0.631 1.00 0.00 C ATOM 469 CD1 ILE A 26 15.527 -6.541 2.787 1.00 0.00 C ATOM 0 H ILE A 26 13.215 -3.329 0.119 1.00 0.00 H new ATOM 0 HA ILE A 26 16.078 -3.831 -0.030 1.00 0.00 H new ATOM 0 HB ILE A 26 14.444 -4.434 1.787 1.00 0.00 H new ATOM 0 HG12 ILE A 26 15.535 -7.046 0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 26 16.660 -5.772 1.113 1.00 0.00 H new ATOM 0 HG21 ILE A 26 12.962 -6.401 1.494 1.00 0.00 H new ATOM 0 HG22 ILE A 26 12.515 -5.069 0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 26 13.410 -6.473 -0.227 1.00 0.00 H new ATOM 0 HD11 ILE A 26 16.278 -7.289 3.040 1.00 0.00 H new ATOM 0 HD12 ILE A 26 15.675 -5.655 3.405 1.00 0.00 H new ATOM 0 HD13 ILE A 26 14.533 -6.949 2.969 1.00 0.00 H new ATOM 481 N PRO A 27 16.475 -4.973 -2.124 1.00 0.00 N ATOM 482 CA PRO A 27 16.794 -5.730 -3.373 1.00 0.00 C ATOM 483 C PRO A 27 16.867 -7.266 -3.187 1.00 0.00 C ATOM 484 O PRO A 27 16.387 -7.972 -4.058 1.00 0.00 O ATOM 485 CB PRO A 27 18.111 -5.112 -3.844 1.00 0.00 C ATOM 486 CG PRO A 27 18.737 -4.531 -2.622 1.00 0.00 C ATOM 487 CD PRO A 27 17.610 -4.123 -1.710 1.00 0.00 C ATOM 0 HA PRO A 27 15.999 -5.637 -4.113 1.00 0.00 H new ATOM 0 HB2 PRO A 27 18.758 -5.864 -4.297 1.00 0.00 H new ATOM 0 HB3 PRO A 27 17.937 -4.345 -4.599 1.00 0.00 H new ATOM 0 HG2 PRO A 27 19.384 -5.260 -2.135 1.00 0.00 H new ATOM 0 HG3 PRO A 27 19.359 -3.673 -2.877 1.00 0.00 H new ATOM 0 HD2 PRO A 27 17.867 -4.286 -0.663 1.00 0.00 H new ATOM 0 HD3 PRO A 27 17.374 -3.064 -1.819 1.00 0.00 H new ATOM 495 N PRO A 28 17.437 -7.775 -2.101 1.00 0.00 N ATOM 496 CA PRO A 28 17.500 -9.257 -1.914 1.00 0.00 C ATOM 497 C PRO A 28 16.093 -9.826 -1.660 1.00 0.00 C ATOM 498 O PRO A 28 15.122 -9.094 -1.576 1.00 0.00 O ATOM 499 CB PRO A 28 18.393 -9.434 -0.686 1.00 0.00 C ATOM 500 CG PRO A 28 18.256 -8.155 0.065 1.00 0.00 C ATOM 501 CD PRO A 28 18.063 -7.081 -0.965 1.00 0.00 C ATOM 0 HA PRO A 28 17.886 -9.781 -2.788 1.00 0.00 H new ATOM 0 HB2 PRO A 28 18.074 -10.284 -0.083 1.00 0.00 H new ATOM 0 HB3 PRO A 28 19.429 -9.617 -0.972 1.00 0.00 H new ATOM 0 HG2 PRO A 28 17.408 -8.195 0.749 1.00 0.00 H new ATOM 0 HG3 PRO A 28 19.143 -7.961 0.668 1.00 0.00 H new ATOM 0 HD2 PRO A 28 17.427 -6.279 -0.589 1.00 0.00 H new ATOM 0 HD3 PRO A 28 19.013 -6.628 -1.250 1.00 0.00 H new ATOM 509 N LEU A 29 15.979 -11.124 -1.529 1.00 0.00 N ATOM 510 CA LEU A 29 14.642 -11.751 -1.276 1.00 0.00 C ATOM 511 C LEU A 29 14.417 -11.918 0.236 1.00 0.00 C ATOM 512 O LEU A 29 13.980 -12.958 0.695 1.00 0.00 O ATOM 513 CB LEU A 29 14.690 -13.109 -1.989 1.00 0.00 C ATOM 514 CG LEU A 29 14.611 -12.908 -3.508 1.00 0.00 C ATOM 515 CD1 LEU A 29 16.017 -12.955 -4.113 1.00 0.00 C ATOM 516 CD2 LEU A 29 13.758 -14.019 -4.125 1.00 0.00 C ATOM 0 H LEU A 29 16.757 -11.781 -1.586 1.00 0.00 H new ATOM 0 HA LEU A 29 13.818 -11.141 -1.647 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.611 -13.632 -1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.863 -13.735 -1.653 1.00 0.00 H new ATOM 0 HG LEU A 29 14.160 -11.938 -3.718 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.954 -12.812 -5.192 1.00 0.00 H new ATOM 0 HD12 LEU A 29 16.627 -12.164 -3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 29 16.472 -13.923 -3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 29 13.701 -13.877 -5.204 1.00 0.00 H new ATOM 0 HD22 LEU A 29 14.210 -14.987 -3.910 1.00 0.00 H new ATOM 0 HD23 LEU A 29 12.754 -13.985 -3.701 1.00 0.00 H new ATOM 528 N ASN A 30 14.717 -10.890 1.007 1.00 0.00 N ATOM 529 CA ASN A 30 14.544 -10.933 2.499 1.00 0.00 C ATOM 530 C ASN A 30 15.280 -12.144 3.105 1.00 0.00 C ATOM 531 O ASN A 30 14.769 -12.818 3.983 1.00 0.00 O ATOM 532 CB ASN A 30 13.026 -11.012 2.734 1.00 0.00 C ATOM 533 CG ASN A 30 12.631 -10.054 3.861 1.00 0.00 C ATOM 534 OD1 ASN A 30 12.327 -8.904 3.614 1.00 0.00 O ATOM 535 ND2 ASN A 30 12.622 -10.477 5.095 1.00 0.00 N ATOM 0 H ASN A 30 15.082 -10.005 0.654 1.00 0.00 H new ATOM 0 HA ASN A 30 14.972 -10.056 2.984 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.492 -10.754 1.819 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.740 -12.032 2.993 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.360 -9.843 5.850 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.877 -11.442 5.305 1.00 0.00 H new ATOM 542 N VAL A 31 16.479 -12.420 2.638 1.00 0.00 N ATOM 543 CA VAL A 31 17.266 -13.581 3.172 1.00 0.00 C ATOM 544 C VAL A 31 17.696 -13.331 4.629 1.00 0.00 C ATOM 545 O VAL A 31 17.872 -12.200 5.049 1.00 0.00 O ATOM 546 CB VAL A 31 18.481 -13.728 2.235 1.00 0.00 C ATOM 547 CG1 VAL A 31 19.462 -12.563 2.416 1.00 0.00 C ATOM 548 CG2 VAL A 31 19.203 -15.046 2.533 1.00 0.00 C ATOM 0 H VAL A 31 16.948 -11.887 1.906 1.00 0.00 H new ATOM 0 HA VAL A 31 16.675 -14.496 3.191 1.00 0.00 H new ATOM 0 HB VAL A 31 18.120 -13.722 1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 31 20.309 -12.693 1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 31 18.958 -11.624 2.188 1.00 0.00 H new ATOM 0 HG13 VAL A 31 19.817 -12.543 3.446 1.00 0.00 H new ATOM 0 HG21 VAL A 31 20.062 -15.148 1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 31 19.542 -15.049 3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 31 18.519 -15.880 2.373 1.00 0.00 H new ATOM 558 N ARG A 32 17.863 -14.384 5.395 1.00 0.00 N ATOM 559 CA ARG A 32 18.280 -14.240 6.824 1.00 0.00 C ATOM 560 C ARG A 32 19.618 -14.955 7.055 1.00 0.00 C ATOM 561 O ARG A 32 19.895 -15.978 6.454 1.00 0.00 O ATOM 562 CB ARG A 32 17.160 -14.899 7.640 1.00 0.00 C ATOM 563 CG ARG A 32 16.980 -14.166 8.974 1.00 0.00 C ATOM 564 CD ARG A 32 17.272 -15.121 10.137 1.00 0.00 C ATOM 565 NE ARG A 32 17.043 -14.316 11.373 1.00 0.00 N ATOM 566 CZ ARG A 32 16.401 -14.835 12.389 1.00 0.00 C ATOM 567 NH1 ARG A 32 17.042 -15.590 13.245 1.00 0.00 N ATOM 568 NH2 ARG A 32 15.122 -14.597 12.541 1.00 0.00 N ATOM 0 H ARG A 32 17.726 -15.346 5.086 1.00 0.00 H new ATOM 0 HA ARG A 32 18.424 -13.198 7.111 1.00 0.00 H new ATOM 0 HB2 ARG A 32 16.228 -14.878 7.076 1.00 0.00 H new ATOM 0 HB3 ARG A 32 17.399 -15.947 7.821 1.00 0.00 H new ATOM 0 HG2 ARG A 32 17.650 -13.307 9.020 1.00 0.00 H new ATOM 0 HG3 ARG A 32 15.963 -13.782 9.054 1.00 0.00 H new ATOM 0 HD2 ARG A 32 16.616 -15.991 10.106 1.00 0.00 H new ATOM 0 HD3 ARG A 32 18.296 -15.493 10.093 1.00 0.00 H new ATOM 0 HE ARG A 32 17.388 -13.358 11.426 1.00 0.00 H new ATOM 0 HH11 ARG A 32 18.038 -15.772 13.119 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.546 -15.996 14.038 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.629 -14.009 11.869 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.619 -15.000 13.331 1.00 0.00 H new ATOM 582 N GLY A 33 20.440 -14.420 7.927 1.00 0.00 N ATOM 583 CA GLY A 33 21.766 -15.048 8.222 1.00 0.00 C ATOM 584 C GLY A 33 21.583 -16.236 9.173 1.00 0.00 C ATOM 585 O GLY A 33 20.941 -16.061 10.198 1.00 0.00 O ATOM 586 OXT GLY A 33 22.089 -17.301 8.861 1.00 0.00 O ATOM 0 H GLY A 33 20.246 -13.567 8.451 1.00 0.00 H new ATOM 0 HA2 GLY A 33 22.234 -15.382 7.296 1.00 0.00 H new ATOM 0 HA3 GLY A 33 22.434 -14.313 8.670 1.00 0.00 H new TER 590 GLY A 33