USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 399 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 Set 1.1: A 8 SER OG : rot -120:sc= -0.866 USER MOD Set 1.2: A 38 ASN : amide:sc= 0.577 K(o=-0.29,f=-7.5!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.00956 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= -2.18 USER MOD Single : A 23 ASN : amide:sc= -0.249 X(o=-0.25,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.04 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot -24:sc= -0.157 USER MOD Single : A 40 ASN : amide:sc= -0.333 K(o=-0.33,f=-1.4) USER MOD Single : A 41 LYS NZ :NH3+ -156:sc= 0.179 (180deg=0.0416) USER MOD Single : A 44 THR OG1 : rot 50:sc= -0.292 USER MOD Single : A 45 GLN : amide:sc= -1.18 K(o=-1.2,f=-2.7) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 22 N ASP A 2 6.593 11.595 2.530 1.00 0.00 N ATOM 23 CA ASP A 2 7.722 10.709 2.793 1.00 0.00 C ATOM 24 C ASP A 2 7.411 9.282 2.347 1.00 0.00 C ATOM 25 O ASP A 2 7.839 8.848 1.279 1.00 0.00 O ATOM 26 CB ASP A 2 8.080 10.731 4.282 1.00 0.00 C ATOM 27 CG ASP A 2 9.431 11.367 4.543 1.00 0.00 C ATOM 28 OD1 ASP A 2 10.295 11.316 3.643 1.00 0.00 O ATOM 29 OD2 ASP A 2 9.625 11.916 5.648 1.00 0.00 O ATOM 0 HA ASP A 2 8.576 11.068 2.219 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.312 11.278 4.829 1.00 0.00 H new ATOM 0 HB3 ASP A 2 8.081 9.711 4.668 1.00 0.00 H new ATOM 34 N THR A 3 6.661 8.558 3.173 1.00 0.00 N ATOM 35 CA THR A 3 6.290 7.179 2.867 1.00 0.00 C ATOM 36 C THR A 3 5.673 7.065 1.475 1.00 0.00 C ATOM 37 O THR A 3 5.733 6.009 0.843 1.00 0.00 O ATOM 38 CB THR A 3 5.307 6.655 3.916 1.00 0.00 C ATOM 39 OG1 THR A 3 5.761 6.957 5.223 1.00 0.00 O ATOM 40 CG2 THR A 3 5.092 5.160 3.839 1.00 0.00 C ATOM 0 H THR A 3 6.297 8.904 4.061 1.00 0.00 H new ATOM 0 HA THR A 3 7.197 6.575 2.886 1.00 0.00 H new ATOM 0 HB THR A 3 4.362 7.153 3.701 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.119 6.616 5.880 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.385 4.854 4.610 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.695 4.900 2.858 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.041 4.647 3.994 1.00 0.00 H new ATOM 48 N CYS A 4 5.080 8.157 1.005 1.00 0.00 N ATOM 49 CA CYS A 4 4.448 8.179 -0.310 1.00 0.00 C ATOM 50 C CYS A 4 5.481 8.073 -1.435 1.00 0.00 C ATOM 51 O CYS A 4 5.121 7.897 -2.599 1.00 0.00 O ATOM 52 CB CYS A 4 3.626 9.461 -0.476 1.00 0.00 C ATOM 53 SG CYS A 4 1.838 9.178 -0.695 1.00 0.00 S ATOM 0 H CYS A 4 5.023 9.039 1.515 1.00 0.00 H new ATOM 0 HA CYS A 4 3.790 7.312 -0.377 1.00 0.00 H new ATOM 0 HB2 CYS A 4 3.778 10.093 0.399 1.00 0.00 H new ATOM 0 HB3 CYS A 4 4.003 10.013 -1.337 1.00 0.00 H new ATOM 58 N ARG A 5 6.763 8.186 -1.090 1.00 0.00 N ATOM 59 CA ARG A 5 7.826 8.107 -2.088 1.00 0.00 C ATOM 60 C ARG A 5 8.350 6.679 -2.237 1.00 0.00 C ATOM 61 O ARG A 5 8.790 6.284 -3.316 1.00 0.00 O ATOM 62 CB ARG A 5 8.973 9.056 -1.722 1.00 0.00 C ATOM 63 CG ARG A 5 9.852 8.555 -0.585 1.00 0.00 C ATOM 64 CD ARG A 5 10.264 9.688 0.342 1.00 0.00 C ATOM 65 NE ARG A 5 10.715 9.196 1.642 1.00 0.00 N ATOM 66 CZ ARG A 5 11.911 8.652 1.854 1.00 0.00 C ATOM 67 NH1 ARG A 5 12.779 8.529 0.857 1.00 0.00 N ATOM 68 NH2 ARG A 5 12.241 8.230 3.066 1.00 0.00 N ATOM 0 H ARG A 5 7.088 8.331 -0.134 1.00 0.00 H new ATOM 0 HA ARG A 5 7.404 8.410 -3.046 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.594 9.216 -2.604 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.556 10.024 -1.445 1.00 0.00 H new ATOM 0 HG2 ARG A 5 9.315 7.795 -0.017 1.00 0.00 H new ATOM 0 HG3 ARG A 5 10.742 8.077 -0.995 1.00 0.00 H new ATOM 0 HD2 ARG A 5 11.063 10.265 -0.124 1.00 0.00 H new ATOM 0 HD3 ARG A 5 9.422 10.365 0.483 1.00 0.00 H new ATOM 0 HE ARG A 5 10.076 9.274 2.433 1.00 0.00 H new ATOM 0 HH11 ARG A 5 12.531 8.852 -0.078 1.00 0.00 H new ATOM 0 HH12 ARG A 5 13.694 8.111 1.026 1.00 0.00 H new ATOM 0 HH21 ARG A 5 11.578 8.322 3.836 1.00 0.00 H new ATOM 0 HH22 ARG A 5 13.158 7.813 3.229 1.00 0.00 H new ATOM 82 N LEU A 6 8.303 5.908 -1.153 1.00 0.00 N ATOM 83 CA LEU A 6 8.780 4.528 -1.187 1.00 0.00 C ATOM 84 C LEU A 6 7.641 3.561 -1.510 1.00 0.00 C ATOM 85 O LEU A 6 6.694 3.429 -0.736 1.00 0.00 O ATOM 86 CB LEU A 6 9.426 4.142 0.147 1.00 0.00 C ATOM 87 CG LEU A 6 8.722 4.672 1.399 1.00 0.00 C ATOM 88 CD1 LEU A 6 8.840 3.674 2.541 1.00 0.00 C ATOM 89 CD2 LEU A 6 9.303 6.020 1.803 1.00 0.00 C ATOM 0 H LEU A 6 7.943 6.212 -0.248 1.00 0.00 H new ATOM 0 HA LEU A 6 9.530 4.458 -1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.469 3.055 0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.455 4.502 0.150 1.00 0.00 H new ATOM 0 HG LEU A 6 7.665 4.806 1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.334 4.068 3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.379 2.731 2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.892 3.507 2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.792 6.384 2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.367 5.909 2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.167 6.733 0.990 1.00 0.00 H new ATOM 101 N PRO A 7 7.718 2.866 -2.661 1.00 0.00 N ATOM 102 CA PRO A 7 6.689 1.909 -3.072 1.00 0.00 C ATOM 103 C PRO A 7 6.752 0.615 -2.269 1.00 0.00 C ATOM 104 O PRO A 7 7.803 0.254 -1.738 1.00 0.00 O ATOM 105 CB PRO A 7 7.022 1.645 -4.540 1.00 0.00 C ATOM 106 CG PRO A 7 8.490 1.867 -4.636 1.00 0.00 C ATOM 107 CD PRO A 7 8.814 2.955 -3.648 1.00 0.00 C ATOM 0 HA PRO A 7 5.682 2.294 -2.912 1.00 0.00 H new ATOM 0 HB2 PRO A 7 6.755 0.629 -4.831 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.475 2.320 -5.198 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.038 0.954 -4.404 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.774 2.161 -5.646 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.787 2.797 -3.182 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.845 3.934 -4.126 1.00 0.00 H new ATOM 115 N SER A 8 5.622 -0.079 -2.183 1.00 0.00 N ATOM 116 CA SER A 8 5.553 -1.334 -1.442 1.00 0.00 C ATOM 117 C SER A 8 5.584 -2.530 -2.387 1.00 0.00 C ATOM 118 O SER A 8 4.923 -2.532 -3.426 1.00 0.00 O ATOM 119 CB SER A 8 4.283 -1.377 -0.590 1.00 0.00 C ATOM 120 OG SER A 8 4.496 -0.773 0.674 1.00 0.00 O ATOM 0 H SER A 8 4.743 0.205 -2.616 1.00 0.00 H new ATOM 0 HA SER A 8 6.424 -1.388 -0.790 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.475 -0.863 -1.110 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.968 -2.411 -0.454 1.00 0.00 H new ATOM 0 HG SER A 8 4.331 -1.430 1.382 1.00 0.00 H new ATOM 126 N ASP A 9 6.352 -3.551 -2.017 1.00 0.00 N ATOM 127 CA ASP A 9 6.464 -4.756 -2.829 1.00 0.00 C ATOM 128 C ASP A 9 5.401 -5.773 -2.424 1.00 0.00 C ATOM 129 O ASP A 9 4.965 -5.804 -1.274 1.00 0.00 O ATOM 130 CB ASP A 9 7.861 -5.366 -2.691 1.00 0.00 C ATOM 131 CG ASP A 9 8.768 -5.002 -3.849 1.00 0.00 C ATOM 132 OD1 ASP A 9 8.526 -5.495 -4.971 1.00 0.00 O ATOM 133 OD2 ASP A 9 9.720 -4.223 -3.635 1.00 0.00 O ATOM 0 H ASP A 9 6.905 -3.567 -1.160 1.00 0.00 H new ATOM 0 HA ASP A 9 6.305 -4.484 -3.872 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.312 -5.026 -1.759 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.776 -6.451 -2.627 1.00 0.00 H new ATOM 138 N ARG A 10 4.978 -6.593 -3.379 1.00 0.00 N ATOM 139 CA ARG A 10 3.955 -7.599 -3.123 1.00 0.00 C ATOM 140 C ARG A 10 4.554 -8.897 -2.589 1.00 0.00 C ATOM 141 O ARG A 10 3.845 -9.719 -2.010 1.00 0.00 O ATOM 142 CB ARG A 10 3.169 -7.880 -4.402 1.00 0.00 C ATOM 143 CG ARG A 10 2.285 -6.724 -4.838 1.00 0.00 C ATOM 144 CD ARG A 10 2.073 -6.727 -6.341 1.00 0.00 C ATOM 145 NE ARG A 10 1.277 -7.873 -6.775 1.00 0.00 N ATOM 146 CZ ARG A 10 0.661 -7.944 -7.954 1.00 0.00 C ATOM 147 NH1 ARG A 10 0.731 -6.931 -8.810 1.00 0.00 N ATOM 148 NH2 ARG A 10 -0.024 -9.031 -8.281 1.00 0.00 N ATOM 0 H ARG A 10 5.328 -6.581 -4.337 1.00 0.00 H new ATOM 0 HA ARG A 10 3.287 -7.202 -2.359 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.868 -8.114 -5.204 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.549 -8.764 -4.251 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.321 -6.790 -4.333 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.740 -5.781 -4.535 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.575 -5.805 -6.640 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.040 -6.744 -6.844 1.00 0.00 H new ATOM 0 HE ARG A 10 1.188 -8.665 -6.138 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.259 -6.093 -8.566 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.257 -6.991 -9.711 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.080 -9.814 -7.630 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.495 -9.084 -9.184 1.00 0.00 H new ATOM 162 N GLY A 11 5.854 -9.083 -2.785 1.00 0.00 N ATOM 163 CA GLY A 11 6.501 -10.292 -2.312 1.00 0.00 C ATOM 164 C GLY A 11 5.857 -11.548 -2.866 1.00 0.00 C ATOM 165 O GLY A 11 4.800 -11.972 -2.398 1.00 0.00 O ATOM 0 H GLY A 11 6.469 -8.422 -3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.553 -10.272 -2.595 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.464 -10.318 -1.223 1.00 0.00 H new ATOM 169 N ARG A 12 6.496 -12.148 -3.865 1.00 0.00 N ATOM 170 CA ARG A 12 5.981 -13.364 -4.483 1.00 0.00 C ATOM 171 C ARG A 12 5.880 -14.503 -3.468 1.00 0.00 C ATOM 172 O ARG A 12 5.200 -15.500 -3.712 1.00 0.00 O ATOM 173 CB ARG A 12 6.878 -13.783 -5.649 1.00 0.00 C ATOM 174 CG ARG A 12 6.110 -14.232 -6.880 1.00 0.00 C ATOM 175 CD ARG A 12 7.019 -14.928 -7.881 1.00 0.00 C ATOM 176 NE ARG A 12 7.609 -16.146 -7.329 1.00 0.00 N ATOM 177 CZ ARG A 12 8.721 -16.710 -7.794 1.00 0.00 C ATOM 178 NH1 ARG A 12 9.367 -16.173 -8.823 1.00 0.00 N ATOM 179 NH2 ARG A 12 9.189 -17.815 -7.231 1.00 0.00 N ATOM 0 H ARG A 12 7.372 -11.811 -4.264 1.00 0.00 H new ATOM 0 HA ARG A 12 4.979 -13.152 -4.856 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.522 -12.946 -5.919 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.529 -14.594 -5.322 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.308 -14.908 -6.583 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.641 -13.369 -7.352 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.450 -15.175 -8.777 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.813 -14.246 -8.185 1.00 0.00 H new ATOM 0 HE ARG A 12 7.140 -16.591 -6.540 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.011 -15.324 -9.261 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.219 -16.610 -9.175 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.697 -18.233 -6.441 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.041 -18.247 -7.587 1.00 0.00 H new ATOM 193 N CYS A 13 6.569 -14.349 -2.334 1.00 0.00 N ATOM 194 CA CYS A 13 6.574 -15.362 -1.274 1.00 0.00 C ATOM 195 C CYS A 13 5.216 -16.062 -1.136 1.00 0.00 C ATOM 196 O CYS A 13 4.989 -17.106 -1.749 1.00 0.00 O ATOM 197 CB CYS A 13 6.990 -14.739 0.068 1.00 0.00 C ATOM 198 SG CYS A 13 6.540 -12.981 0.272 1.00 0.00 S ATOM 0 H CYS A 13 7.135 -13.526 -2.125 1.00 0.00 H new ATOM 0 HA CYS A 13 7.305 -16.119 -1.558 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.533 -15.312 0.875 1.00 0.00 H new ATOM 0 HB3 CYS A 13 8.070 -14.838 0.179 1.00 0.00 H new ATOM 203 N LYS A 14 4.322 -15.496 -0.327 1.00 0.00 N ATOM 204 CA LYS A 14 3.004 -16.088 -0.117 1.00 0.00 C ATOM 205 C LYS A 14 1.904 -15.242 -0.756 1.00 0.00 C ATOM 206 O LYS A 14 0.983 -14.789 -0.075 1.00 0.00 O ATOM 207 CB LYS A 14 2.733 -16.254 1.379 1.00 0.00 C ATOM 208 CG LYS A 14 3.878 -16.906 2.136 1.00 0.00 C ATOM 209 CD LYS A 14 3.718 -18.417 2.198 1.00 0.00 C ATOM 210 CE LYS A 14 4.040 -19.067 0.862 1.00 0.00 C ATOM 211 NZ LYS A 14 4.841 -20.311 1.029 1.00 0.00 N ATOM 0 H LYS A 14 4.486 -14.633 0.191 1.00 0.00 H new ATOM 0 HA LYS A 14 2.998 -17.067 -0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.532 -15.275 1.814 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.832 -16.853 1.512 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.823 -16.659 1.652 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.923 -16.502 3.147 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.374 -18.822 2.968 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.697 -18.664 2.487 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.113 -19.300 0.339 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.590 -18.362 0.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.040 -20.724 0.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.737 -20.085 1.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.306 -20.994 1.603 1.00 0.00 H new ATOM 225 N ALA A 15 2.001 -15.037 -2.065 1.00 0.00 N ATOM 226 CA ALA A 15 1.006 -14.251 -2.789 1.00 0.00 C ATOM 227 C ALA A 15 -0.386 -14.854 -2.636 1.00 0.00 C ATOM 228 O ALA A 15 -0.734 -15.814 -3.325 1.00 0.00 O ATOM 229 CB ALA A 15 1.382 -14.155 -4.261 1.00 0.00 C ATOM 0 H ALA A 15 2.756 -15.402 -2.646 1.00 0.00 H new ATOM 0 HA ALA A 15 0.988 -13.248 -2.362 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.633 -13.567 -4.790 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.355 -13.674 -4.357 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.428 -15.156 -4.691 1.00 0.00 H new ATOM 235 N SER A 16 -1.180 -14.290 -1.729 1.00 0.00 N ATOM 236 CA SER A 16 -2.533 -14.785 -1.494 1.00 0.00 C ATOM 237 C SER A 16 -3.389 -13.757 -0.756 1.00 0.00 C ATOM 238 O SER A 16 -4.329 -14.117 -0.047 1.00 0.00 O ATOM 239 CB SER A 16 -2.486 -16.088 -0.695 1.00 0.00 C ATOM 240 OG SER A 16 -3.592 -16.918 -1.006 1.00 0.00 O ATOM 0 H SER A 16 -0.912 -13.495 -1.149 1.00 0.00 H new ATOM 0 HA SER A 16 -2.990 -14.969 -2.466 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.558 -16.617 -0.911 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.484 -15.864 0.372 1.00 0.00 H new ATOM 0 HG SER A 16 -3.538 -17.745 -0.483 1.00 0.00 H new ATOM 246 N PHE A 17 -3.068 -12.478 -0.927 1.00 0.00 N ATOM 247 CA PHE A 17 -3.820 -11.409 -0.276 1.00 0.00 C ATOM 248 C PHE A 17 -3.783 -10.134 -1.111 1.00 0.00 C ATOM 249 O PHE A 17 -3.032 -10.038 -2.079 1.00 0.00 O ATOM 250 CB PHE A 17 -3.262 -11.134 1.121 1.00 0.00 C ATOM 251 CG PHE A 17 -3.490 -12.259 2.092 1.00 0.00 C ATOM 252 CD1 PHE A 17 -4.772 -12.718 2.349 1.00 0.00 C ATOM 253 CD2 PHE A 17 -2.424 -12.854 2.747 1.00 0.00 C ATOM 254 CE1 PHE A 17 -4.985 -13.752 3.242 1.00 0.00 C ATOM 255 CE2 PHE A 17 -2.632 -13.888 3.639 1.00 0.00 C ATOM 256 CZ PHE A 17 -3.913 -14.337 3.888 1.00 0.00 C ATOM 0 H PHE A 17 -2.295 -12.157 -1.509 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.856 -11.735 -0.184 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.192 -10.942 1.044 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.721 -10.227 1.514 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.613 -12.264 1.847 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.419 -12.506 2.558 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.988 -14.102 3.434 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.792 -14.345 4.141 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.077 -15.144 4.587 1.00 0.00 H new ATOM 266 N GLU A 18 -4.599 -9.157 -0.727 1.00 0.00 N ATOM 267 CA GLU A 18 -4.658 -7.884 -1.440 1.00 0.00 C ATOM 268 C GLU A 18 -4.409 -6.722 -0.484 1.00 0.00 C ATOM 269 O GLU A 18 -4.844 -6.751 0.667 1.00 0.00 O ATOM 270 CB GLU A 18 -6.018 -7.723 -2.125 1.00 0.00 C ATOM 271 CG GLU A 18 -5.918 -7.455 -3.617 1.00 0.00 C ATOM 272 CD GLU A 18 -7.147 -7.916 -4.375 1.00 0.00 C ATOM 273 OE1 GLU A 18 -8.272 -7.672 -3.890 1.00 0.00 O ATOM 274 OE2 GLU A 18 -6.986 -8.522 -5.456 1.00 0.00 O ATOM 0 H GLU A 18 -5.228 -9.222 0.073 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.878 -7.879 -2.201 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.606 -8.627 -1.965 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.559 -6.903 -1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.773 -6.387 -3.782 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.039 -7.961 -4.015 1.00 0.00 H new ATOM 281 N ARG A 19 -3.703 -5.702 -0.963 1.00 0.00 N ATOM 282 CA ARG A 19 -3.398 -4.537 -0.138 1.00 0.00 C ATOM 283 C ARG A 19 -3.423 -3.252 -0.960 1.00 0.00 C ATOM 284 O ARG A 19 -3.210 -3.272 -2.171 1.00 0.00 O ATOM 285 CB ARG A 19 -2.027 -4.703 0.522 1.00 0.00 C ATOM 286 CG ARG A 19 -1.980 -5.803 1.570 1.00 0.00 C ATOM 287 CD ARG A 19 -2.245 -5.256 2.964 1.00 0.00 C ATOM 288 NE ARG A 19 -2.895 -6.240 3.825 1.00 0.00 N ATOM 289 CZ ARG A 19 -2.242 -7.193 4.489 1.00 0.00 C ATOM 290 NH1 ARG A 19 -0.923 -7.301 4.384 1.00 0.00 N ATOM 291 NH2 ARG A 19 -2.910 -8.044 5.257 1.00 0.00 N ATOM 0 H ARG A 19 -3.333 -5.658 -1.913 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.166 -4.463 0.632 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.286 -4.916 -0.249 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.741 -3.759 0.986 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.720 -6.567 1.331 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.004 -6.287 1.547 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.303 -4.945 3.416 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.872 -4.368 2.891 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.909 -6.195 3.924 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.404 -6.652 3.793 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.429 -8.033 4.895 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.924 -7.969 5.339 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.410 -8.773 5.765 1.00 0.00 H new ATOM 305 N TRP A 20 -3.678 -2.134 -0.285 1.00 0.00 N ATOM 306 CA TRP A 20 -3.725 -0.832 -0.945 1.00 0.00 C ATOM 307 C TRP A 20 -2.430 -0.064 -0.701 1.00 0.00 C ATOM 308 O TRP A 20 -1.775 -0.244 0.323 1.00 0.00 O ATOM 309 CB TRP A 20 -4.919 -0.021 -0.439 1.00 0.00 C ATOM 310 CG TRP A 20 -6.242 -0.615 -0.816 1.00 0.00 C ATOM 311 CD1 TRP A 20 -6.958 -1.537 -0.108 1.00 0.00 C ATOM 312 CD2 TRP A 20 -7.007 -0.332 -1.994 1.00 0.00 C ATOM 313 NE1 TRP A 20 -8.119 -1.843 -0.771 1.00 0.00 N ATOM 314 CE2 TRP A 20 -8.173 -1.118 -1.931 1.00 0.00 C ATOM 315 CE3 TRP A 20 -6.821 0.511 -3.095 1.00 0.00 C ATOM 316 CZ2 TRP A 20 -9.146 -1.087 -2.923 1.00 0.00 C ATOM 317 CZ3 TRP A 20 -7.790 0.538 -4.082 1.00 0.00 C ATOM 318 CH2 TRP A 20 -8.939 -0.256 -3.989 1.00 0.00 C ATOM 0 H TRP A 20 -3.855 -2.104 0.719 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.839 -0.994 -2.017 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.861 0.059 0.646 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -4.857 0.992 -0.837 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -6.654 -1.963 0.837 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.827 -2.504 -0.452 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -5.938 1.128 -3.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -10.034 -1.698 -2.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -7.658 1.182 -4.939 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -9.678 -0.211 -4.776 1.00 0.00 H new ATOM 329 N TYR A 21 -2.060 0.780 -1.657 1.00 0.00 N ATOM 330 CA TYR A 21 -0.833 1.566 -1.554 1.00 0.00 C ATOM 331 C TYR A 21 -1.010 2.923 -2.226 1.00 0.00 C ATOM 332 O TYR A 21 -1.731 3.045 -3.215 1.00 0.00 O ATOM 333 CB TYR A 21 0.330 0.809 -2.208 1.00 0.00 C ATOM 334 CG TYR A 21 -0.077 0.080 -3.469 1.00 0.00 C ATOM 335 CD1 TYR A 21 -0.935 -1.008 -3.409 1.00 0.00 C ATOM 336 CD2 TYR A 21 0.370 0.495 -4.716 1.00 0.00 C ATOM 337 CE1 TYR A 21 -1.342 -1.658 -4.553 1.00 0.00 C ATOM 338 CE2 TYR A 21 -0.026 -0.159 -5.868 1.00 0.00 C ATOM 339 CZ TYR A 21 -0.887 -1.232 -5.780 1.00 0.00 C ATOM 340 OH TYR A 21 -1.312 -1.869 -6.924 1.00 0.00 O ATOM 0 H TYR A 21 -2.591 0.939 -2.513 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.610 1.725 -0.499 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.129 1.513 -2.443 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.737 0.092 -1.495 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.290 -1.351 -2.449 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.037 1.341 -4.787 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.016 -2.499 -4.487 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.337 0.169 -6.831 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.899 -1.447 -7.706 1.00 0.00 H new ATOM 350 N PHE A 22 -0.347 3.941 -1.687 1.00 0.00 N ATOM 351 CA PHE A 22 -0.439 5.286 -2.250 1.00 0.00 C ATOM 352 C PHE A 22 0.805 5.620 -3.064 1.00 0.00 C ATOM 353 O PHE A 22 1.911 5.691 -2.531 1.00 0.00 O ATOM 354 CB PHE A 22 -0.643 6.333 -1.148 1.00 0.00 C ATOM 355 CG PHE A 22 0.020 5.994 0.158 1.00 0.00 C ATOM 356 CD1 PHE A 22 1.386 6.157 0.322 1.00 0.00 C ATOM 357 CD2 PHE A 22 -0.727 5.518 1.223 1.00 0.00 C ATOM 358 CE1 PHE A 22 1.994 5.850 1.525 1.00 0.00 C ATOM 359 CE2 PHE A 22 -0.125 5.209 2.427 1.00 0.00 C ATOM 360 CZ PHE A 22 1.238 5.376 2.578 1.00 0.00 C ATOM 0 H PHE A 22 0.256 3.863 -0.868 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.305 5.308 -2.911 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.260 7.291 -1.498 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.712 6.460 -0.977 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.982 6.528 -0.499 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.793 5.387 1.110 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.060 5.981 1.641 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.719 4.837 3.249 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.711 5.136 3.519 1.00 0.00 H new ATOM 370 N ASN A 23 0.613 5.824 -4.363 1.00 0.00 N ATOM 371 CA ASN A 23 1.716 6.151 -5.257 1.00 0.00 C ATOM 372 C ASN A 23 1.749 7.648 -5.550 1.00 0.00 C ATOM 373 O ASN A 23 1.087 8.126 -6.472 1.00 0.00 O ATOM 374 CB ASN A 23 1.591 5.365 -6.563 1.00 0.00 C ATOM 375 CG ASN A 23 2.925 5.186 -7.260 1.00 0.00 C ATOM 376 OD1 ASN A 23 3.478 4.087 -7.298 1.00 0.00 O ATOM 377 ND2 ASN A 23 3.449 6.271 -7.817 1.00 0.00 N ATOM 0 H ASN A 23 -0.297 5.768 -4.820 1.00 0.00 H new ATOM 0 HA ASN A 23 2.648 5.874 -4.764 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.159 4.386 -6.355 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.902 5.882 -7.231 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.345 6.214 -8.301 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.956 7.162 -7.761 1.00 0.00 H new ATOM 384 N GLY A 24 2.520 8.384 -4.755 1.00 0.00 N ATOM 385 CA GLY A 24 2.625 9.821 -4.940 1.00 0.00 C ATOM 386 C GLY A 24 1.458 10.574 -4.332 1.00 0.00 C ATOM 387 O GLY A 24 1.650 11.557 -3.615 1.00 0.00 O ATOM 0 H GLY A 24 3.075 8.011 -3.985 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.554 10.174 -4.492 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.680 10.043 -6.006 1.00 0.00 H new ATOM 391 N ARG A 25 0.246 10.113 -4.619 1.00 0.00 N ATOM 392 CA ARG A 25 -0.960 10.745 -4.100 1.00 0.00 C ATOM 393 C ARG A 25 -2.190 9.883 -4.375 1.00 0.00 C ATOM 394 O ARG A 25 -3.138 9.872 -3.591 1.00 0.00 O ATOM 395 CB ARG A 25 -1.144 12.129 -4.725 1.00 0.00 C ATOM 396 CG ARG A 25 -1.058 12.126 -6.243 1.00 0.00 C ATOM 397 CD ARG A 25 -0.418 13.400 -6.770 1.00 0.00 C ATOM 398 NE ARG A 25 -1.342 14.175 -7.595 1.00 0.00 N ATOM 399 CZ ARG A 25 -2.324 14.926 -7.104 1.00 0.00 C ATOM 400 NH1 ARG A 25 -2.512 15.010 -5.792 1.00 0.00 N ATOM 401 NH2 ARG A 25 -3.120 15.596 -7.925 1.00 0.00 N ATOM 0 H ARG A 25 0.073 9.300 -5.211 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.848 10.852 -3.021 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.113 12.528 -4.425 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.385 12.802 -4.327 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.479 11.264 -6.573 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.058 12.019 -6.664 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.081 14.010 -5.932 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.466 13.147 -7.355 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.227 14.138 -8.608 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.902 14.497 -5.156 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.267 15.587 -5.421 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.980 15.536 -8.934 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.873 16.172 -7.548 1.00 0.00 H new ATOM 415 N THR A 26 -2.169 9.161 -5.493 1.00 0.00 N ATOM 416 CA THR A 26 -3.285 8.299 -5.866 1.00 0.00 C ATOM 417 C THR A 26 -3.171 6.938 -5.188 1.00 0.00 C ATOM 418 O THR A 26 -2.098 6.552 -4.725 1.00 0.00 O ATOM 419 CB THR A 26 -3.335 8.122 -7.384 1.00 0.00 C ATOM 420 OG1 THR A 26 -4.460 7.348 -7.761 1.00 0.00 O ATOM 421 CG2 THR A 26 -2.104 7.446 -7.949 1.00 0.00 C ATOM 0 H THR A 26 -1.393 9.156 -6.154 1.00 0.00 H new ATOM 0 HA THR A 26 -4.207 8.776 -5.532 1.00 0.00 H new ATOM 0 HB THR A 26 -3.395 9.132 -7.791 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.476 7.247 -8.736 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.205 7.352 -9.030 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.222 8.043 -7.717 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.998 6.455 -7.507 1.00 0.00 H new ATOM 429 N CYS A 27 -4.286 6.214 -5.132 1.00 0.00 N ATOM 430 CA CYS A 27 -4.309 4.896 -4.510 1.00 0.00 C ATOM 431 C CYS A 27 -4.251 3.795 -5.564 1.00 0.00 C ATOM 432 O CYS A 27 -4.635 4.000 -6.716 1.00 0.00 O ATOM 433 CB CYS A 27 -5.564 4.734 -3.651 1.00 0.00 C ATOM 434 SG CYS A 27 -5.493 5.614 -2.056 1.00 0.00 S ATOM 0 H CYS A 27 -5.183 6.518 -5.510 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.429 4.808 -3.872 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.425 5.093 -4.214 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.727 3.673 -3.461 1.00 0.00 H new ATOM 439 N ALA A 28 -3.762 2.628 -5.160 1.00 0.00 N ATOM 440 CA ALA A 28 -3.644 1.489 -6.063 1.00 0.00 C ATOM 441 C ALA A 28 -3.935 0.180 -5.330 1.00 0.00 C ATOM 442 O ALA A 28 -4.177 0.181 -4.123 1.00 0.00 O ATOM 443 CB ALA A 28 -2.270 1.468 -6.707 1.00 0.00 C ATOM 0 H ALA A 28 -3.440 2.446 -4.210 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.387 1.594 -6.854 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.196 0.613 -7.378 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.119 2.387 -7.273 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.507 1.389 -5.933 1.00 0.00 H new ATOM 449 N LYS A 29 -3.930 -0.933 -6.061 1.00 0.00 N ATOM 450 CA LYS A 29 -4.218 -2.233 -5.463 1.00 0.00 C ATOM 451 C LYS A 29 -3.469 -3.357 -6.173 1.00 0.00 C ATOM 452 O LYS A 29 -3.272 -3.319 -7.388 1.00 0.00 O ATOM 453 CB LYS A 29 -5.723 -2.508 -5.506 1.00 0.00 C ATOM 454 CG LYS A 29 -6.218 -3.367 -4.353 1.00 0.00 C ATOM 455 CD LYS A 29 -7.732 -3.501 -4.369 1.00 0.00 C ATOM 456 CE LYS A 29 -8.181 -4.629 -5.284 1.00 0.00 C ATOM 457 NZ LYS A 29 -9.665 -4.695 -5.399 1.00 0.00 N ATOM 0 H LYS A 29 -3.731 -0.960 -7.061 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.879 -2.204 -4.427 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.258 -1.558 -5.496 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.967 -3.002 -6.447 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.763 -4.356 -4.413 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.900 -2.927 -3.408 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.093 -3.686 -3.357 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.178 -2.563 -4.700 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.746 -4.488 -6.274 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.804 -5.578 -4.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.930 -5.477 -6.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.079 -4.855 -4.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.023 -3.799 -5.787 1.00 0.00 H new ATOM 471 N PHE A 30 -3.058 -4.358 -5.400 1.00 0.00 N ATOM 472 CA PHE A 30 -2.332 -5.501 -5.941 1.00 0.00 C ATOM 473 C PHE A 30 -2.410 -6.693 -4.996 1.00 0.00 C ATOM 474 O PHE A 30 -2.965 -6.593 -3.901 1.00 0.00 O ATOM 475 CB PHE A 30 -0.866 -5.140 -6.215 1.00 0.00 C ATOM 476 CG PHE A 30 -0.164 -4.428 -5.084 1.00 0.00 C ATOM 477 CD1 PHE A 30 -0.664 -4.452 -3.788 1.00 0.00 C ATOM 478 CD2 PHE A 30 1.013 -3.734 -5.325 1.00 0.00 C ATOM 479 CE1 PHE A 30 -0.007 -3.800 -2.763 1.00 0.00 C ATOM 480 CE2 PHE A 30 1.672 -3.079 -4.302 1.00 0.00 C ATOM 481 CZ PHE A 30 1.163 -3.112 -3.020 1.00 0.00 C ATOM 0 H PHE A 30 -3.217 -4.400 -4.393 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.804 -5.776 -6.885 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.319 -6.054 -6.444 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.822 -4.511 -7.104 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.578 -4.988 -3.579 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.419 -3.705 -6.325 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.408 -3.828 -1.761 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.586 -2.541 -4.506 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.678 -2.601 -2.220 1.00 0.00 H new ATOM 491 N ILE A 31 -1.855 -7.822 -5.420 1.00 0.00 N ATOM 492 CA ILE A 31 -1.867 -9.022 -4.600 1.00 0.00 C ATOM 493 C ILE A 31 -0.634 -9.064 -3.706 1.00 0.00 C ATOM 494 O ILE A 31 0.473 -9.327 -4.172 1.00 0.00 O ATOM 495 CB ILE A 31 -1.911 -10.292 -5.470 1.00 0.00 C ATOM 496 CG1 ILE A 31 -3.108 -10.244 -6.421 1.00 0.00 C ATOM 497 CG2 ILE A 31 -1.972 -11.538 -4.598 1.00 0.00 C ATOM 498 CD1 ILE A 31 -4.444 -10.266 -5.712 1.00 0.00 C ATOM 0 H ILE A 31 -1.393 -7.929 -6.323 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.765 -8.992 -3.983 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.998 -10.335 -6.064 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.043 -9.341 -7.029 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.054 -11.092 -7.103 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.002 -12.424 -5.232 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.090 -11.579 -3.959 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.868 -11.504 -3.978 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.247 -10.230 -6.448 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.530 -11.181 -5.126 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.519 -9.403 -5.050 1.00 0.00 H new ATOM 510 N TYR A 32 -0.833 -8.791 -2.421 1.00 0.00 N ATOM 511 CA TYR A 32 0.264 -8.784 -1.462 1.00 0.00 C ATOM 512 C TYR A 32 0.470 -10.167 -0.855 1.00 0.00 C ATOM 513 O TYR A 32 -0.439 -10.736 -0.251 1.00 0.00 O ATOM 514 CB TYR A 32 -0.010 -7.763 -0.354 1.00 0.00 C ATOM 515 CG TYR A 32 1.032 -7.752 0.743 1.00 0.00 C ATOM 516 CD1 TYR A 32 2.356 -7.436 0.466 1.00 0.00 C ATOM 517 CD2 TYR A 32 0.692 -8.060 2.055 1.00 0.00 C ATOM 518 CE1 TYR A 32 3.311 -7.426 1.465 1.00 0.00 C ATOM 519 CE2 TYR A 32 1.642 -8.052 3.058 1.00 0.00 C ATOM 520 CZ TYR A 32 2.950 -7.734 2.758 1.00 0.00 C ATOM 521 OH TYR A 32 3.897 -7.725 3.755 1.00 0.00 O ATOM 0 H TYR A 32 -1.745 -8.572 -2.020 1.00 0.00 H new ATOM 0 HA TYR A 32 1.174 -8.504 -1.992 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.068 -6.769 -0.796 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.985 -7.973 0.087 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.644 -7.194 -0.546 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.331 -8.310 2.294 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.336 -7.178 1.233 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.362 -8.294 4.073 1.00 0.00 H new ATOM 0 HH TYR A 32 4.785 -7.865 3.364 1.00 0.00 H new ATOM 531 N GLY A 33 1.674 -10.700 -1.024 1.00 0.00 N ATOM 532 CA GLY A 33 1.987 -12.010 -0.490 1.00 0.00 C ATOM 533 C GLY A 33 2.485 -11.950 0.941 1.00 0.00 C ATOM 534 O GLY A 33 2.132 -12.796 1.763 1.00 0.00 O ATOM 0 H GLY A 33 2.440 -10.247 -1.522 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.098 -12.639 -0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.745 -12.482 -1.115 1.00 0.00 H new ATOM 538 N GLY A 34 3.305 -10.947 1.243 1.00 0.00 N ATOM 539 CA GLY A 34 3.832 -10.805 2.587 1.00 0.00 C ATOM 540 C GLY A 34 5.202 -10.152 2.625 1.00 0.00 C ATOM 541 O GLY A 34 5.638 -9.681 3.676 1.00 0.00 O ATOM 0 H GLY A 34 3.612 -10.233 0.583 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.137 -10.212 3.182 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.892 -11.789 3.053 1.00 0.00 H new ATOM 545 N CYS A 35 5.887 -10.123 1.486 1.00 0.00 N ATOM 546 CA CYS A 35 7.216 -9.523 1.415 1.00 0.00 C ATOM 547 C CYS A 35 7.188 -8.227 0.611 1.00 0.00 C ATOM 548 O CYS A 35 6.951 -8.236 -0.598 1.00 0.00 O ATOM 549 CB CYS A 35 8.216 -10.503 0.794 1.00 0.00 C ATOM 550 SG CYS A 35 8.052 -12.217 1.392 1.00 0.00 S ATOM 0 H CYS A 35 5.547 -10.506 0.604 1.00 0.00 H new ATOM 0 HA CYS A 35 7.533 -9.292 2.432 1.00 0.00 H new ATOM 0 HB2 CYS A 35 8.091 -10.494 -0.289 1.00 0.00 H new ATOM 0 HB3 CYS A 35 9.227 -10.153 1.001 1.00 0.00 H new ATOM 555 N GLY A 36 7.436 -7.112 1.291 1.00 0.00 N ATOM 556 CA GLY A 36 7.437 -5.823 0.625 1.00 0.00 C ATOM 557 C GLY A 36 6.401 -4.873 1.193 1.00 0.00 C ATOM 558 O GLY A 36 5.771 -4.119 0.452 1.00 0.00 O ATOM 0 H GLY A 36 7.636 -7.078 2.291 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.426 -5.373 0.715 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.248 -5.968 -0.439 1.00 0.00 H new ATOM 562 N GLY A 37 6.221 -4.911 2.508 1.00 0.00 N ATOM 563 CA GLY A 37 5.252 -4.041 3.147 1.00 0.00 C ATOM 564 C GLY A 37 5.837 -3.273 4.316 1.00 0.00 C ATOM 565 O GLY A 37 6.089 -3.842 5.378 1.00 0.00 O ATOM 0 H GLY A 37 6.728 -5.528 3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.863 -3.336 2.413 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.408 -4.637 3.495 1.00 0.00 H new ATOM 569 N ASN A 38 6.050 -1.975 4.121 1.00 0.00 N ATOM 570 CA ASN A 38 6.605 -1.126 5.171 1.00 0.00 C ATOM 571 C ASN A 38 5.559 -0.127 5.663 1.00 0.00 C ATOM 572 O ASN A 38 4.885 -0.368 6.665 1.00 0.00 O ATOM 573 CB ASN A 38 7.857 -0.388 4.673 1.00 0.00 C ATOM 574 CG ASN A 38 7.842 -0.140 3.175 1.00 0.00 C ATOM 575 OD1 ASN A 38 6.809 0.203 2.601 1.00 0.00 O ATOM 576 ND2 ASN A 38 8.994 -0.313 2.537 1.00 0.00 N ATOM 0 H ASN A 38 5.847 -1.489 3.248 1.00 0.00 H new ATOM 0 HA ASN A 38 6.894 -1.765 6.005 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.941 0.566 5.193 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.742 -0.970 4.931 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.047 -0.161 1.530 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.826 -0.598 3.054 1.00 0.00 H new ATOM 583 N GLY A 39 5.425 0.993 4.957 1.00 0.00 N ATOM 584 CA GLY A 39 4.455 2.000 5.347 1.00 0.00 C ATOM 585 C GLY A 39 3.676 2.563 4.171 1.00 0.00 C ATOM 586 O GLY A 39 2.822 3.431 4.350 1.00 0.00 O ATOM 0 H GLY A 39 5.969 1.220 4.125 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.757 1.566 6.063 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.970 2.814 5.857 1.00 0.00 H new ATOM 590 N ASN A 40 3.970 2.077 2.967 1.00 0.00 N ATOM 591 CA ASN A 40 3.290 2.548 1.766 1.00 0.00 C ATOM 592 C ASN A 40 2.042 1.720 1.475 1.00 0.00 C ATOM 593 O ASN A 40 1.111 2.193 0.822 1.00 0.00 O ATOM 594 CB ASN A 40 4.242 2.496 0.569 1.00 0.00 C ATOM 595 CG ASN A 40 3.606 3.016 -0.704 1.00 0.00 C ATOM 596 OD1 ASN A 40 3.286 2.247 -1.611 1.00 0.00 O ATOM 597 ND2 ASN A 40 3.419 4.328 -0.780 1.00 0.00 N ATOM 0 H ASN A 40 4.674 1.358 2.799 1.00 0.00 H new ATOM 0 HA ASN A 40 2.980 3.579 1.937 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.133 3.083 0.792 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.569 1.468 0.414 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.995 4.735 -1.614 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.699 4.929 -0.005 1.00 0.00 H new ATOM 604 N LYS A 41 2.028 0.480 1.957 1.00 0.00 N ATOM 605 CA LYS A 41 0.892 -0.408 1.739 1.00 0.00 C ATOM 606 C LYS A 41 -0.030 -0.435 2.956 1.00 0.00 C ATOM 607 O LYS A 41 0.369 -0.059 4.059 1.00 0.00 O ATOM 608 CB LYS A 41 1.377 -1.824 1.422 1.00 0.00 C ATOM 609 CG LYS A 41 2.108 -2.491 2.576 1.00 0.00 C ATOM 610 CD LYS A 41 1.185 -3.403 3.367 1.00 0.00 C ATOM 611 CE LYS A 41 1.666 -3.577 4.799 1.00 0.00 C ATOM 612 NZ LYS A 41 0.903 -2.722 5.751 1.00 0.00 N ATOM 0 H LYS A 41 2.788 0.069 2.499 1.00 0.00 H new ATOM 0 HA LYS A 41 0.327 -0.024 0.890 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.521 -2.438 1.142 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.039 -1.787 0.557 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.949 -3.068 2.191 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.521 -1.728 3.236 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.177 -2.989 3.369 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.129 -4.377 2.880 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.566 -4.623 5.091 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.726 -3.329 4.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.480 -2.546 6.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.672 -1.816 5.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.024 -3.206 6.025 1.00 0.00 H new ATOM 626 N PHE A 42 -1.263 -0.884 2.745 1.00 0.00 N ATOM 627 CA PHE A 42 -2.247 -0.964 3.817 1.00 0.00 C ATOM 628 C PHE A 42 -3.313 -2.009 3.494 1.00 0.00 C ATOM 629 O PHE A 42 -3.551 -2.324 2.327 1.00 0.00 O ATOM 630 CB PHE A 42 -2.902 0.400 4.043 1.00 0.00 C ATOM 631 CG PHE A 42 -2.110 1.302 4.946 1.00 0.00 C ATOM 632 CD1 PHE A 42 -2.186 1.167 6.323 1.00 0.00 C ATOM 633 CD2 PHE A 42 -1.290 2.286 4.417 1.00 0.00 C ATOM 634 CE1 PHE A 42 -1.459 1.996 7.156 1.00 0.00 C ATOM 635 CE2 PHE A 42 -0.561 3.119 5.245 1.00 0.00 C ATOM 636 CZ PHE A 42 -0.645 2.974 6.617 1.00 0.00 C ATOM 0 H PHE A 42 -1.605 -1.199 1.837 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.732 -1.263 4.730 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -3.039 0.892 3.080 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.894 0.252 4.470 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.821 0.405 6.750 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.220 2.403 3.346 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -1.527 1.880 8.228 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.074 3.883 4.820 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.076 3.623 7.266 1.00 0.00 H new ATOM 646 N PRO A 43 -3.970 -2.566 4.527 1.00 0.00 N ATOM 647 CA PRO A 43 -5.010 -3.584 4.346 1.00 0.00 C ATOM 648 C PRO A 43 -6.313 -3.007 3.802 1.00 0.00 C ATOM 649 O PRO A 43 -7.114 -3.722 3.200 1.00 0.00 O ATOM 650 CB PRO A 43 -5.217 -4.127 5.761 1.00 0.00 C ATOM 651 CG PRO A 43 -4.846 -2.997 6.656 1.00 0.00 C ATOM 652 CD PRO A 43 -3.744 -2.252 5.951 1.00 0.00 C ATOM 0 HA PRO A 43 -4.715 -4.339 3.618 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.250 -4.435 5.920 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.592 -5.000 5.946 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.702 -2.347 6.838 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.511 -3.362 7.627 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.801 -1.180 6.139 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.760 -2.583 6.283 1.00 0.00 H new ATOM 660 N THR A 44 -6.528 -1.713 4.021 1.00 0.00 N ATOM 661 CA THR A 44 -7.743 -1.055 3.553 1.00 0.00 C ATOM 662 C THR A 44 -7.424 0.252 2.833 1.00 0.00 C ATOM 663 O THR A 44 -6.490 0.965 3.200 1.00 0.00 O ATOM 664 CB THR A 44 -8.683 -0.783 4.729 1.00 0.00 C ATOM 665 OG1 THR A 44 -7.961 -0.295 5.846 1.00 0.00 O ATOM 666 CG2 THR A 44 -9.450 -2.007 5.177 1.00 0.00 C ATOM 0 H THR A 44 -5.880 -1.102 4.517 1.00 0.00 H new ATOM 0 HA THR A 44 -8.233 -1.724 2.845 1.00 0.00 H new ATOM 0 HB THR A 44 -9.394 -0.042 4.365 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.383 0.444 5.564 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.097 -1.745 6.014 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.057 -2.379 4.351 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.749 -2.781 5.489 1.00 0.00 H new ATOM 674 N GLN A 45 -8.215 0.561 1.809 1.00 0.00 N ATOM 675 CA GLN A 45 -8.025 1.784 1.038 1.00 0.00 C ATOM 676 C GLN A 45 -8.279 3.015 1.903 1.00 0.00 C ATOM 677 O GLN A 45 -7.750 4.093 1.634 1.00 0.00 O ATOM 678 CB GLN A 45 -8.957 1.797 -0.175 1.00 0.00 C ATOM 679 CG GLN A 45 -8.493 2.721 -1.289 1.00 0.00 C ATOM 680 CD GLN A 45 -9.433 2.720 -2.477 1.00 0.00 C ATOM 681 OE1 GLN A 45 -10.404 1.963 -2.515 1.00 0.00 O ATOM 682 NE2 GLN A 45 -9.151 3.571 -3.458 1.00 0.00 N ATOM 0 H GLN A 45 -8.993 -0.019 1.495 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.991 1.811 0.693 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.043 0.784 -0.567 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.953 2.101 0.146 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.405 3.736 -0.901 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.499 2.418 -1.617 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.336 4.181 -3.386 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.749 3.615 -4.283 1.00 0.00 H new ATOM 691 N GLU A 46 -9.090 2.847 2.945 1.00 0.00 N ATOM 692 CA GLU A 46 -9.410 3.944 3.850 1.00 0.00 C ATOM 693 C GLU A 46 -8.139 4.560 4.424 1.00 0.00 C ATOM 694 O GLU A 46 -8.060 5.772 4.629 1.00 0.00 O ATOM 695 CB GLU A 46 -10.310 3.452 4.986 1.00 0.00 C ATOM 696 CG GLU A 46 -9.648 2.415 5.880 1.00 0.00 C ATOM 697 CD GLU A 46 -10.655 1.582 6.650 1.00 0.00 C ATOM 698 OE1 GLU A 46 -11.275 0.686 6.039 1.00 0.00 O ATOM 699 OE2 GLU A 46 -10.822 1.824 7.863 1.00 0.00 O ATOM 0 H GLU A 46 -9.537 1.961 3.182 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.941 4.708 3.282 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.612 4.304 5.594 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.219 3.026 4.560 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.028 1.757 5.270 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.984 2.917 6.583 1.00 0.00 H new ATOM 706 N ALA A 47 -7.143 3.716 4.674 1.00 0.00 N ATOM 707 CA ALA A 47 -5.872 4.175 5.217 1.00 0.00 C ATOM 708 C ALA A 47 -5.005 4.784 4.122 1.00 0.00 C ATOM 709 O ALA A 47 -4.215 5.694 4.374 1.00 0.00 O ATOM 710 CB ALA A 47 -5.141 3.025 5.896 1.00 0.00 C ATOM 0 H ALA A 47 -7.193 2.711 4.509 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.075 4.947 5.960 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.193 3.383 6.297 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.754 2.633 6.708 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.952 2.234 5.170 1.00 0.00 H new ATOM 716 N CYS A 48 -5.161 4.278 2.902 1.00 0.00 N ATOM 717 CA CYS A 48 -4.397 4.771 1.761 1.00 0.00 C ATOM 718 C CYS A 48 -4.555 6.282 1.611 1.00 0.00 C ATOM 719 O CYS A 48 -3.575 7.005 1.425 1.00 0.00 O ATOM 720 CB CYS A 48 -4.850 4.068 0.478 1.00 0.00 C ATOM 721 SG CYS A 48 -4.020 4.658 -1.035 1.00 0.00 S ATOM 0 H CYS A 48 -5.811 3.525 2.678 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.344 4.551 1.937 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.672 2.998 0.582 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.926 4.203 0.364 1.00 0.00 H new ATOM 726 N MET A 49 -5.796 6.750 1.692 1.00 0.00 N ATOM 727 CA MET A 49 -6.088 8.173 1.563 1.00 0.00 C ATOM 728 C MET A 49 -5.898 8.896 2.893 1.00 0.00 C ATOM 729 O MET A 49 -5.453 10.042 2.932 1.00 0.00 O ATOM 730 CB MET A 49 -7.521 8.373 1.064 1.00 0.00 C ATOM 731 CG MET A 49 -7.644 8.370 -0.452 1.00 0.00 C ATOM 732 SD MET A 49 -8.537 9.805 -1.082 1.00 0.00 S ATOM 733 CE MET A 49 -8.819 9.311 -2.780 1.00 0.00 C ATOM 0 H MET A 49 -6.616 6.164 1.847 1.00 0.00 H new ATOM 0 HA MET A 49 -5.391 8.596 0.840 1.00 0.00 H new ATOM 0 HB2 MET A 49 -8.153 7.584 1.473 1.00 0.00 H new ATOM 0 HB3 MET A 49 -7.902 9.319 1.449 1.00 0.00 H new ATOM 0 HG2 MET A 49 -6.648 8.345 -0.893 1.00 0.00 H new ATOM 0 HG3 MET A 49 -8.156 7.461 -0.769 1.00 0.00 H new ATOM 0 HE1 MET A 49 -9.363 10.098 -3.302 1.00 0.00 H new ATOM 0 HE2 MET A 49 -7.862 9.143 -3.274 1.00 0.00 H new ATOM 0 HE3 MET A 49 -9.404 8.391 -2.799 1.00 0.00 H new ATOM 743 N LYS A 50 -6.245 8.220 3.981 1.00 0.00 N ATOM 744 CA LYS A 50 -6.121 8.800 5.314 1.00 0.00 C ATOM 745 C LYS A 50 -4.663 9.092 5.671 1.00 0.00 C ATOM 746 O LYS A 50 -4.388 9.801 6.639 1.00 0.00 O ATOM 747 CB LYS A 50 -6.729 7.857 6.353 1.00 0.00 C ATOM 748 CG LYS A 50 -6.834 8.466 7.743 1.00 0.00 C ATOM 749 CD LYS A 50 -7.058 7.400 8.803 1.00 0.00 C ATOM 750 CE LYS A 50 -5.775 7.085 9.556 1.00 0.00 C ATOM 751 NZ LYS A 50 -5.143 5.825 9.076 1.00 0.00 N ATOM 0 H LYS A 50 -6.615 7.269 3.967 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.662 9.746 5.315 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.723 7.557 6.021 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.124 6.952 6.407 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.922 9.019 7.969 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.655 9.182 7.766 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.820 7.738 9.505 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.438 6.493 8.333 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.073 7.911 9.438 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.991 7.000 10.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.272 5.647 9.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.802 5.032 9.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.913 5.915 8.066 1.00 0.00 H new ATOM 765 N ARG A 51 -3.730 8.536 4.903 1.00 0.00 N ATOM 766 CA ARG A 51 -2.311 8.740 5.173 1.00 0.00 C ATOM 767 C ARG A 51 -1.689 9.784 4.244 1.00 0.00 C ATOM 768 O ARG A 51 -0.961 10.667 4.697 1.00 0.00 O ATOM 769 CB ARG A 51 -1.555 7.415 5.044 1.00 0.00 C ATOM 770 CG ARG A 51 -0.668 7.104 6.239 1.00 0.00 C ATOM 771 CD ARG A 51 -1.426 6.337 7.311 1.00 0.00 C ATOM 772 NE ARG A 51 -1.836 7.201 8.416 1.00 0.00 N ATOM 773 CZ ARG A 51 -1.023 7.586 9.398 1.00 0.00 C ATOM 774 NH1 ARG A 51 0.242 7.187 9.416 1.00 0.00 N ATOM 775 NH2 ARG A 51 -1.477 8.372 10.364 1.00 0.00 N ATOM 0 H ARG A 51 -3.929 7.946 4.095 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.227 9.116 6.193 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.274 6.606 4.915 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.942 7.442 4.143 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.193 6.520 5.912 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.282 8.033 6.659 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.307 5.871 6.869 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.798 5.532 7.694 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.802 7.528 8.436 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.597 6.582 8.675 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.860 7.485 10.171 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.449 8.682 10.355 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.855 8.667 11.116 1.00 0.00 H new ATOM 789 N CYS A 52 -1.956 9.671 2.945 1.00 0.00 N ATOM 790 CA CYS A 52 -1.389 10.605 1.973 1.00 0.00 C ATOM 791 C CYS A 52 -2.444 11.543 1.390 1.00 0.00 C ATOM 792 O CYS A 52 -2.117 12.635 0.926 1.00 0.00 O ATOM 793 CB CYS A 52 -0.698 9.834 0.846 1.00 0.00 C ATOM 794 SG CYS A 52 1.065 9.486 1.157 1.00 0.00 S ATOM 0 H CYS A 52 -2.555 8.950 2.543 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.660 11.220 2.501 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.222 8.891 0.691 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.788 10.404 -0.078 1.00 0.00 H new ATOM 799 N ALA A 53 -3.703 11.120 1.407 1.00 0.00 N ATOM 800 CA ALA A 53 -4.783 11.940 0.867 1.00 0.00 C ATOM 801 C ALA A 53 -5.336 12.900 1.916 1.00 0.00 C ATOM 802 O ALA A 53 -5.957 13.908 1.580 1.00 0.00 O ATOM 803 CB ALA A 53 -5.895 11.059 0.315 1.00 0.00 C ATOM 0 H ALA A 53 -4.000 10.221 1.786 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.370 12.538 0.054 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -6.692 11.686 -0.084 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.498 10.428 -0.480 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.292 10.431 1.113 1.00 0.00 H new ATOM 809 N LYS A 54 -5.108 12.587 3.188 1.00 0.00 N ATOM 810 CA LYS A 54 -5.587 13.431 4.276 1.00 0.00 C ATOM 811 C LYS A 54 -4.439 14.215 4.906 1.00 0.00 C ATOM 812 O LYS A 54 -4.576 15.401 5.207 1.00 0.00 O ATOM 813 CB LYS A 54 -6.290 12.583 5.339 1.00 0.00 C ATOM 814 CG LYS A 54 -7.805 12.579 5.209 1.00 0.00 C ATOM 815 CD LYS A 54 -8.484 12.901 6.532 1.00 0.00 C ATOM 816 CE LYS A 54 -9.680 13.820 6.338 1.00 0.00 C ATOM 817 NZ LYS A 54 -10.969 13.083 6.439 1.00 0.00 N ATOM 0 H LYS A 54 -4.596 11.758 3.489 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.301 14.142 3.861 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.925 11.558 5.274 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.019 12.956 6.327 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.108 13.308 4.458 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.138 11.602 4.857 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.808 11.977 7.010 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.767 13.373 7.204 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.655 14.611 7.087 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.613 14.302 5.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.759 13.745 6.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.005 12.344 5.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.045 12.644 7.379 1.00 0.00 H new ATOM 831 N ALA A 55 -3.309 13.544 5.102 1.00 0.00 N ATOM 832 CA ALA A 55 -2.138 14.178 5.696 1.00 0.00 C ATOM 833 C ALA A 55 -1.675 15.367 4.861 1.00 0.00 C ATOM 834 O ALA A 55 -1.383 16.426 5.454 1.00 0.00 O ATOM 835 CB ALA A 55 -1.013 13.166 5.848 1.00 0.00 C ATOM 836 OXT ALA A 55 -1.607 15.228 3.622 1.00 0.00 O ATOM 0 H ALA A 55 -3.179 12.562 4.858 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.415 14.548 6.683 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.144 13.652 6.293 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.342 12.350 6.492 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.745 12.770 4.869 1.00 0.00 H new