USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=10 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 31:sc= -0.607 USER MOD Set 1.2: A 38 ASN : amide:sc= 0.103 K(o=-0.5,f=-8.8!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 14 LYS NZ :NH3+ 163:sc= -0.467 (180deg=-0.88) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= -2.15 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.213 USER MOD Single : A 29 LYS NZ :NH3+ -161:sc= 0.365 (180deg=0.262) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -2.04 K(o=-2,f=-5.8!) USER MOD Single : A 41 LYS NZ :NH3+ -170:sc= 1.35 (180deg=0.865) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) 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 7.192 11.164 3.571 1.00 0.00 N ATOM 23 CA ASP A 2 8.221 10.395 2.879 1.00 0.00 C ATOM 24 C ASP A 2 7.782 8.947 2.678 1.00 0.00 C ATOM 25 O ASP A 2 8.233 8.276 1.750 1.00 0.00 O ATOM 26 CB ASP A 2 9.532 10.437 3.666 1.00 0.00 C ATOM 27 CG ASP A 2 10.693 9.852 2.887 1.00 0.00 C ATOM 28 OD1 ASP A 2 11.363 10.614 2.158 1.00 0.00 O ATOM 29 OD2 ASP A 2 10.933 8.633 3.005 1.00 0.00 O ATOM 0 HA ASP A 2 8.376 10.846 1.899 1.00 0.00 H new ATOM 0 HB2 ASP A 2 9.760 11.469 3.932 1.00 0.00 H new ATOM 0 HB3 ASP A 2 9.410 9.887 4.599 1.00 0.00 H new ATOM 34 N THR A 3 6.897 8.472 3.551 1.00 0.00 N ATOM 35 CA THR A 3 6.398 7.104 3.465 1.00 0.00 C ATOM 36 C THR A 3 5.769 6.838 2.099 1.00 0.00 C ATOM 37 O THR A 3 5.780 5.709 1.608 1.00 0.00 O ATOM 38 CB THR A 3 5.374 6.842 4.571 1.00 0.00 C ATOM 39 OG1 THR A 3 5.551 7.749 5.645 1.00 0.00 O ATOM 40 CG2 THR A 3 5.448 5.440 5.136 1.00 0.00 C ATOM 0 H THR A 3 6.512 9.014 4.324 1.00 0.00 H new ATOM 0 HA THR A 3 7.243 6.427 3.594 1.00 0.00 H new ATOM 0 HB THR A 3 4.400 6.975 4.099 1.00 0.00 H new ATOM 0 HG1 THR A 3 4.886 7.566 6.341 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.695 5.322 5.915 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.264 4.717 4.341 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.438 5.270 5.559 1.00 0.00 H new ATOM 48 N CYS A 4 5.224 7.888 1.489 1.00 0.00 N ATOM 49 CA CYS A 4 4.592 7.771 0.179 1.00 0.00 C ATOM 50 C CYS A 4 5.631 7.669 -0.938 1.00 0.00 C ATOM 51 O CYS A 4 5.278 7.517 -2.108 1.00 0.00 O ATOM 52 CB CYS A 4 3.677 8.972 -0.074 1.00 0.00 C ATOM 53 SG CYS A 4 2.393 9.216 1.197 1.00 0.00 S ATOM 0 H CYS A 4 5.208 8.829 1.882 1.00 0.00 H new ATOM 0 HA CYS A 4 4.001 6.855 0.177 1.00 0.00 H new ATOM 0 HB2 CYS A 4 4.288 9.873 -0.135 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.194 8.848 -1.043 1.00 0.00 H new ATOM 58 N ARG A 5 6.910 7.757 -0.579 1.00 0.00 N ATOM 59 CA ARG A 5 7.986 7.677 -1.563 1.00 0.00 C ATOM 60 C ARG A 5 8.517 6.251 -1.694 1.00 0.00 C ATOM 61 O ARG A 5 9.137 5.904 -2.700 1.00 0.00 O ATOM 62 CB ARG A 5 9.129 8.621 -1.181 1.00 0.00 C ATOM 63 CG ARG A 5 8.662 9.949 -0.607 1.00 0.00 C ATOM 64 CD ARG A 5 8.101 10.859 -1.687 1.00 0.00 C ATOM 65 NE ARG A 5 6.640 10.846 -1.710 1.00 0.00 N ATOM 66 CZ ARG A 5 5.899 11.792 -2.282 1.00 0.00 C ATOM 67 NH1 ARG A 5 6.477 12.825 -2.883 1.00 0.00 N ATOM 68 NH2 ARG A 5 4.576 11.705 -2.255 1.00 0.00 N ATOM 0 H ARG A 5 7.225 7.883 0.383 1.00 0.00 H new ATOM 0 HA ARG A 5 7.575 7.979 -2.526 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.769 8.125 -0.451 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.740 8.812 -2.063 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.900 9.770 0.151 1.00 0.00 H new ATOM 0 HG3 ARG A 5 9.496 10.445 -0.110 1.00 0.00 H new ATOM 0 HD2 ARG A 5 8.452 11.878 -1.521 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.482 10.545 -2.659 1.00 0.00 H new ATOM 0 HE ARG A 5 6.160 10.066 -1.261 1.00 0.00 H new ATOM 0 HH11 ARG A 5 7.494 12.897 -2.908 1.00 0.00 H new ATOM 0 HH12 ARG A 5 5.904 13.547 -3.320 1.00 0.00 H new ATOM 0 HH21 ARG A 5 4.126 10.913 -1.796 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.008 12.430 -2.693 1.00 0.00 H new ATOM 82 N LEU A 6 8.278 5.427 -0.677 1.00 0.00 N ATOM 83 CA LEU A 6 8.746 4.043 -0.697 1.00 0.00 C ATOM 84 C LEU A 6 7.842 3.171 -1.568 1.00 0.00 C ATOM 85 O LEU A 6 6.650 3.037 -1.293 1.00 0.00 O ATOM 86 CB LEU A 6 8.803 3.464 0.723 1.00 0.00 C ATOM 87 CG LEU A 6 8.993 4.481 1.852 1.00 0.00 C ATOM 88 CD1 LEU A 6 9.322 3.771 3.156 1.00 0.00 C ATOM 89 CD2 LEU A 6 10.083 5.484 1.499 1.00 0.00 C ATOM 0 H LEU A 6 7.767 5.690 0.166 1.00 0.00 H new ATOM 0 HA LEU A 6 9.750 4.044 -1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.881 2.913 0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.619 2.743 0.768 1.00 0.00 H new ATOM 0 HG LEU A 6 8.059 5.027 1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.454 4.508 3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.507 3.097 3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.242 3.198 3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.200 6.196 2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 6 11.024 4.958 1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.806 6.017 0.589 1.00 0.00 H new ATOM 101 N PRO A 7 8.397 2.554 -2.629 1.00 0.00 N ATOM 102 CA PRO A 7 7.627 1.689 -3.524 1.00 0.00 C ATOM 103 C PRO A 7 7.310 0.343 -2.879 1.00 0.00 C ATOM 104 O PRO A 7 8.109 -0.590 -2.942 1.00 0.00 O ATOM 105 CB PRO A 7 8.561 1.502 -4.720 1.00 0.00 C ATOM 106 CG PRO A 7 9.929 1.643 -4.150 1.00 0.00 C ATOM 107 CD PRO A 7 9.814 2.646 -3.033 1.00 0.00 C ATOM 0 HA PRO A 7 6.660 2.119 -3.786 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.423 0.525 -5.183 1.00 0.00 H new ATOM 0 HB3 PRO A 7 8.373 2.249 -5.491 1.00 0.00 H new ATOM 0 HG2 PRO A 7 10.297 0.687 -3.779 1.00 0.00 H new ATOM 0 HG3 PRO A 7 10.634 1.983 -4.908 1.00 0.00 H new ATOM 0 HD2 PRO A 7 10.483 2.405 -2.207 1.00 0.00 H new ATOM 0 HD3 PRO A 7 10.071 3.651 -3.368 1.00 0.00 H new ATOM 115 N SER A 8 6.142 0.254 -2.253 1.00 0.00 N ATOM 116 CA SER A 8 5.724 -0.974 -1.589 1.00 0.00 C ATOM 117 C SER A 8 5.576 -2.116 -2.590 1.00 0.00 C ATOM 118 O SER A 8 4.779 -2.038 -3.524 1.00 0.00 O ATOM 119 CB SER A 8 4.403 -0.752 -0.847 1.00 0.00 C ATOM 120 OG SER A 8 4.579 -0.875 0.555 1.00 0.00 O ATOM 0 H SER A 8 5.468 1.017 -2.192 1.00 0.00 H new ATOM 0 HA SER A 8 6.496 -1.248 -0.870 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.012 0.238 -1.082 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.664 -1.476 -1.189 1.00 0.00 H new ATOM 0 HG SER A 8 5.482 -0.583 0.798 1.00 0.00 H new ATOM 126 N ASP A 9 6.348 -3.180 -2.383 1.00 0.00 N ATOM 127 CA ASP A 9 6.297 -4.341 -3.263 1.00 0.00 C ATOM 128 C ASP A 9 5.261 -5.343 -2.764 1.00 0.00 C ATOM 129 O ASP A 9 4.986 -5.420 -1.566 1.00 0.00 O ATOM 130 CB ASP A 9 7.673 -5.003 -3.355 1.00 0.00 C ATOM 131 CG ASP A 9 8.464 -4.529 -4.559 1.00 0.00 C ATOM 132 OD1 ASP A 9 8.985 -3.395 -4.518 1.00 0.00 O ATOM 133 OD2 ASP A 9 8.562 -5.293 -5.542 1.00 0.00 O ATOM 0 H ASP A 9 7.014 -3.261 -1.615 1.00 0.00 H new ATOM 0 HA ASP A 9 6.005 -4.006 -4.258 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.237 -4.790 -2.447 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.550 -6.085 -3.408 1.00 0.00 H new ATOM 138 N ARG A 10 4.677 -6.097 -3.688 1.00 0.00 N ATOM 139 CA ARG A 10 3.657 -7.081 -3.342 1.00 0.00 C ATOM 140 C ARG A 10 4.264 -8.449 -3.047 1.00 0.00 C ATOM 141 O ARG A 10 3.615 -9.302 -2.441 1.00 0.00 O ATOM 142 CB ARG A 10 2.642 -7.191 -4.479 1.00 0.00 C ATOM 143 CG ARG A 10 3.264 -7.537 -5.822 1.00 0.00 C ATOM 144 CD ARG A 10 2.218 -7.611 -6.920 1.00 0.00 C ATOM 145 NE ARG A 10 1.459 -8.858 -6.870 1.00 0.00 N ATOM 146 CZ ARG A 10 0.802 -9.366 -7.914 1.00 0.00 C ATOM 147 NH1 ARG A 10 0.744 -8.694 -9.057 1.00 0.00 N ATOM 148 NH2 ARG A 10 0.204 -10.544 -7.817 1.00 0.00 N ATOM 0 H ARG A 10 4.892 -6.046 -4.684 1.00 0.00 H new ATOM 0 HA ARG A 10 3.158 -6.742 -2.434 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.904 -7.952 -4.223 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.107 -6.246 -4.569 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.012 -6.788 -6.081 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.783 -8.493 -5.748 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.535 -6.767 -6.827 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.705 -7.522 -7.891 1.00 0.00 H new ATOM 0 HE ARG A 10 1.430 -9.369 -5.988 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.203 -7.787 -9.139 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.241 -9.085 -9.854 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.245 -11.066 -6.942 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.297 -10.929 -8.618 1.00 0.00 H new ATOM 162 N GLY A 11 5.506 -8.657 -3.471 1.00 0.00 N ATOM 163 CA GLY A 11 6.164 -9.928 -3.234 1.00 0.00 C ATOM 164 C GLY A 11 5.400 -11.103 -3.815 1.00 0.00 C ATOM 165 O GLY A 11 4.195 -11.021 -4.044 1.00 0.00 O ATOM 0 H GLY A 11 6.068 -7.970 -3.973 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.164 -9.901 -3.667 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.286 -10.074 -2.161 1.00 0.00 H new ATOM 169 N ARG A 12 6.107 -12.205 -4.048 1.00 0.00 N ATOM 170 CA ARG A 12 5.492 -13.409 -4.597 1.00 0.00 C ATOM 171 C ARG A 12 5.433 -14.521 -3.550 1.00 0.00 C ATOM 172 O ARG A 12 4.770 -15.539 -3.751 1.00 0.00 O ATOM 173 CB ARG A 12 6.269 -13.887 -5.825 1.00 0.00 C ATOM 174 CG ARG A 12 5.696 -13.384 -7.141 1.00 0.00 C ATOM 175 CD ARG A 12 5.812 -14.431 -8.237 1.00 0.00 C ATOM 176 NE ARG A 12 5.571 -13.865 -9.562 1.00 0.00 N ATOM 177 CZ ARG A 12 5.624 -14.570 -10.690 1.00 0.00 C ATOM 178 NH1 ARG A 12 5.909 -15.866 -10.659 1.00 0.00 N ATOM 179 NH2 ARG A 12 5.392 -13.977 -11.853 1.00 0.00 N ATOM 0 H ARG A 12 7.107 -12.289 -3.865 1.00 0.00 H new ATOM 0 HA ARG A 12 4.472 -13.163 -4.893 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.305 -13.558 -5.740 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.280 -14.977 -5.836 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.649 -13.115 -7.003 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.221 -12.478 -7.445 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.806 -14.877 -8.209 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.098 -15.233 -8.050 1.00 0.00 H new ATOM 0 HE ARG A 12 5.349 -12.872 -9.627 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.089 -16.327 -9.767 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.948 -16.400 -11.527 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.173 -12.981 -11.883 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.432 -14.517 -12.718 1.00 0.00 H new ATOM 193 N CYS A 13 6.140 -14.323 -2.436 1.00 0.00 N ATOM 194 CA CYS A 13 6.182 -15.309 -1.353 1.00 0.00 C ATOM 195 C CYS A 13 4.803 -15.917 -1.078 1.00 0.00 C ATOM 196 O CYS A 13 4.490 -17.003 -1.569 1.00 0.00 O ATOM 197 CB CYS A 13 6.751 -14.686 -0.067 1.00 0.00 C ATOM 198 SG CYS A 13 6.417 -12.903 0.140 1.00 0.00 S ATOM 0 H CYS A 13 6.694 -13.485 -2.259 1.00 0.00 H new ATOM 0 HA CYS A 13 6.842 -16.113 -1.679 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.340 -15.219 0.790 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.830 -14.842 -0.052 1.00 0.00 H new ATOM 203 N LYS A 14 3.988 -15.224 -0.288 1.00 0.00 N ATOM 204 CA LYS A 14 2.654 -15.713 0.048 1.00 0.00 C ATOM 205 C LYS A 14 1.570 -14.873 -0.621 1.00 0.00 C ATOM 206 O LYS A 14 0.512 -14.632 -0.039 1.00 0.00 O ATOM 207 CB LYS A 14 2.460 -15.708 1.567 1.00 0.00 C ATOM 208 CG LYS A 14 2.668 -17.069 2.212 1.00 0.00 C ATOM 209 CD LYS A 14 4.070 -17.599 1.953 1.00 0.00 C ATOM 210 CE LYS A 14 5.115 -16.809 2.725 1.00 0.00 C ATOM 211 NZ LYS A 14 6.500 -17.177 2.323 1.00 0.00 N ATOM 0 H LYS A 14 4.227 -14.325 0.130 1.00 0.00 H new ATOM 0 HA LYS A 14 2.566 -16.734 -0.323 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.154 -14.995 2.011 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.454 -15.357 1.795 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.499 -16.994 3.286 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.933 -17.774 1.822 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.122 -18.650 2.239 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.288 -17.548 0.886 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.960 -15.743 2.558 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.988 -16.986 3.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.161 -16.441 2.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.758 -18.086 2.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.550 -17.262 1.288 1.00 0.00 H new ATOM 225 N ALA A 15 1.835 -14.431 -1.847 1.00 0.00 N ATOM 226 CA ALA A 15 0.876 -13.621 -2.592 1.00 0.00 C ATOM 227 C ALA A 15 -0.516 -14.248 -2.563 1.00 0.00 C ATOM 228 O ALA A 15 -0.739 -15.311 -3.142 1.00 0.00 O ATOM 229 CB ALA A 15 1.343 -13.437 -4.027 1.00 0.00 C ATOM 0 H ALA A 15 2.705 -14.620 -2.345 1.00 0.00 H new ATOM 0 HA ALA A 15 0.815 -12.644 -2.112 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.618 -12.831 -4.571 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.311 -12.937 -4.033 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.435 -14.411 -4.508 1.00 0.00 H new ATOM 235 N SER A 16 -1.447 -13.586 -1.882 1.00 0.00 N ATOM 236 CA SER A 16 -2.814 -14.086 -1.777 1.00 0.00 C ATOM 237 C SER A 16 -3.749 -13.045 -1.161 1.00 0.00 C ATOM 238 O SER A 16 -4.935 -12.996 -1.489 1.00 0.00 O ATOM 239 CB SER A 16 -2.842 -15.370 -0.944 1.00 0.00 C ATOM 240 OG SER A 16 -3.467 -16.425 -1.654 1.00 0.00 O ATOM 0 H SER A 16 -1.281 -12.705 -1.396 1.00 0.00 H new ATOM 0 HA SER A 16 -3.168 -14.299 -2.786 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.824 -15.658 -0.680 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.375 -15.190 -0.010 1.00 0.00 H new ATOM 0 HG SER A 16 -3.471 -17.234 -1.101 1.00 0.00 H new ATOM 246 N PHE A 17 -3.214 -12.214 -0.269 1.00 0.00 N ATOM 247 CA PHE A 17 -4.010 -11.183 0.384 1.00 0.00 C ATOM 248 C PHE A 17 -3.792 -9.833 -0.286 1.00 0.00 C ATOM 249 O PHE A 17 -2.686 -9.293 -0.269 1.00 0.00 O ATOM 250 CB PHE A 17 -3.651 -11.093 1.867 1.00 0.00 C ATOM 251 CG PHE A 17 -3.637 -12.424 2.563 1.00 0.00 C ATOM 252 CD1 PHE A 17 -4.817 -13.117 2.784 1.00 0.00 C ATOM 253 CD2 PHE A 17 -2.445 -12.981 2.996 1.00 0.00 C ATOM 254 CE1 PHE A 17 -4.807 -14.342 3.424 1.00 0.00 C ATOM 255 CE2 PHE A 17 -2.429 -14.205 3.637 1.00 0.00 C ATOM 256 CZ PHE A 17 -3.612 -14.886 3.852 1.00 0.00 C ATOM 0 H PHE A 17 -2.235 -12.236 0.016 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.062 -11.454 0.291 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.670 -10.629 1.967 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.365 -10.439 2.366 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.754 -12.695 2.453 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.518 -12.453 2.831 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.733 -14.873 3.589 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.493 -14.629 3.970 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.602 -15.842 4.354 1.00 0.00 H new ATOM 266 N GLU A 18 -4.849 -9.296 -0.881 1.00 0.00 N ATOM 267 CA GLU A 18 -4.765 -8.013 -1.561 1.00 0.00 C ATOM 268 C GLU A 18 -4.607 -6.872 -0.561 1.00 0.00 C ATOM 269 O GLU A 18 -5.235 -6.869 0.499 1.00 0.00 O ATOM 270 CB GLU A 18 -6.006 -7.785 -2.425 1.00 0.00 C ATOM 271 CG GLU A 18 -6.033 -8.632 -3.686 1.00 0.00 C ATOM 272 CD GLU A 18 -7.428 -9.112 -4.036 1.00 0.00 C ATOM 273 OE1 GLU A 18 -8.391 -8.345 -3.821 1.00 0.00 O ATOM 274 OE2 GLU A 18 -7.558 -10.253 -4.525 1.00 0.00 O ATOM 0 H GLU A 18 -5.772 -9.729 -0.906 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.884 -8.030 -2.203 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.895 -8.001 -1.833 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.056 -6.732 -2.703 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.633 -8.052 -4.518 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.379 -9.494 -3.555 1.00 0.00 H new ATOM 281 N ARG A 19 -3.761 -5.906 -0.904 1.00 0.00 N ATOM 282 CA ARG A 19 -3.515 -4.760 -0.039 1.00 0.00 C ATOM 283 C ARG A 19 -3.473 -3.466 -0.848 1.00 0.00 C ATOM 284 O ARG A 19 -3.314 -3.489 -2.069 1.00 0.00 O ATOM 285 CB ARG A 19 -2.199 -4.945 0.722 1.00 0.00 C ATOM 286 CG ARG A 19 -2.376 -5.061 2.228 1.00 0.00 C ATOM 287 CD ARG A 19 -3.344 -6.175 2.593 1.00 0.00 C ATOM 288 NE ARG A 19 -3.040 -6.758 3.898 1.00 0.00 N ATOM 289 CZ ARG A 19 -3.831 -7.626 4.523 1.00 0.00 C ATOM 290 NH1 ARG A 19 -4.972 -8.015 3.968 1.00 0.00 N ATOM 291 NH2 ARG A 19 -3.481 -8.106 5.708 1.00 0.00 N ATOM 0 H ARG A 19 -3.234 -5.895 -1.777 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.335 -4.692 0.676 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.699 -5.841 0.354 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.543 -4.102 0.506 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.410 -5.250 2.695 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.742 -4.115 2.626 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.361 -5.784 2.599 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.306 -6.953 1.830 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.171 -6.484 4.356 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.247 -7.648 3.057 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.574 -8.681 4.453 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.606 -7.810 6.140 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.087 -8.772 6.188 1.00 0.00 H new ATOM 305 N TRP A 20 -3.614 -2.341 -0.156 1.00 0.00 N ATOM 306 CA TRP A 20 -3.590 -1.033 -0.802 1.00 0.00 C ATOM 307 C TRP A 20 -2.263 -0.327 -0.540 1.00 0.00 C ATOM 308 O TRP A 20 -1.638 -0.528 0.497 1.00 0.00 O ATOM 309 CB TRP A 20 -4.749 -0.174 -0.295 1.00 0.00 C ATOM 310 CG TRP A 20 -6.095 -0.703 -0.684 1.00 0.00 C ATOM 311 CD1 TRP A 20 -6.868 -1.577 0.024 1.00 0.00 C ATOM 312 CD2 TRP A 20 -6.828 -0.393 -1.875 1.00 0.00 C ATOM 313 NE1 TRP A 20 -8.035 -1.830 -0.653 1.00 0.00 N ATOM 314 CE2 TRP A 20 -8.034 -1.115 -1.821 1.00 0.00 C ATOM 315 CE3 TRP A 20 -6.582 0.426 -2.981 1.00 0.00 C ATOM 316 CZ2 TRP A 20 -8.990 -1.043 -2.827 1.00 0.00 C ATOM 317 CZ3 TRP A 20 -7.534 0.496 -3.981 1.00 0.00 C ATOM 318 CH2 TRP A 20 -8.725 -0.234 -3.898 1.00 0.00 C ATOM 0 H TRP A 20 -3.746 -2.308 0.855 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.698 -1.178 -1.877 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.693 -0.106 0.791 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -4.638 0.838 -0.683 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -6.600 -2.007 0.978 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.781 -2.450 -0.338 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -5.666 0.993 -3.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -9.910 -1.606 -2.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -7.356 1.125 -4.841 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -9.449 -0.157 -4.695 1.00 0.00 H new ATOM 329 N TYR A 21 -1.834 0.492 -1.494 1.00 0.00 N ATOM 330 CA TYR A 21 -0.572 1.219 -1.369 1.00 0.00 C ATOM 331 C TYR A 21 -0.679 2.596 -2.018 1.00 0.00 C ATOM 332 O TYR A 21 -1.119 2.721 -3.162 1.00 0.00 O ATOM 333 CB TYR A 21 0.571 0.421 -2.011 1.00 0.00 C ATOM 334 CG TYR A 21 0.167 -0.299 -3.279 1.00 0.00 C ATOM 335 CD1 TYR A 21 -0.788 -1.304 -3.249 1.00 0.00 C ATOM 336 CD2 TYR A 21 0.726 0.037 -4.506 1.00 0.00 C ATOM 337 CE1 TYR A 21 -1.179 -1.953 -4.397 1.00 0.00 C ATOM 338 CE2 TYR A 21 0.335 -0.606 -5.666 1.00 0.00 C ATOM 339 CZ TYR A 21 -0.619 -1.602 -5.605 1.00 0.00 C ATOM 340 OH TYR A 21 -1.032 -2.234 -6.756 1.00 0.00 O ATOM 0 H TYR A 21 -2.339 0.670 -2.362 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.357 1.350 -0.309 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.396 1.098 -2.234 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.943 -0.308 -1.291 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.234 -1.583 -2.306 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.477 0.812 -4.554 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.922 -2.735 -4.351 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.773 -0.331 -6.614 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.541 -1.871 -7.523 1.00 0.00 H new ATOM 350 N PHE A 22 -0.277 3.625 -1.282 1.00 0.00 N ATOM 351 CA PHE A 22 -0.332 4.992 -1.790 1.00 0.00 C ATOM 352 C PHE A 22 0.923 5.329 -2.587 1.00 0.00 C ATOM 353 O PHE A 22 2.004 5.499 -2.023 1.00 0.00 O ATOM 354 CB PHE A 22 -0.511 5.994 -0.643 1.00 0.00 C ATOM 355 CG PHE A 22 0.311 5.685 0.577 1.00 0.00 C ATOM 356 CD1 PHE A 22 1.593 6.193 0.714 1.00 0.00 C ATOM 357 CD2 PHE A 22 -0.202 4.890 1.590 1.00 0.00 C ATOM 358 CE1 PHE A 22 2.347 5.913 1.837 1.00 0.00 C ATOM 359 CE2 PHE A 22 0.549 4.606 2.715 1.00 0.00 C ATOM 360 CZ PHE A 22 1.825 5.119 2.839 1.00 0.00 C ATOM 0 H PHE A 22 0.090 3.540 -0.334 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.194 5.064 -2.454 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.250 6.990 -1.001 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.563 6.023 -0.361 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.007 6.815 -0.066 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.200 4.488 1.499 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.345 6.315 1.931 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.138 3.984 3.496 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.413 4.900 3.718 1.00 0.00 H new ATOM 370 N ASN A 23 0.769 5.424 -3.903 1.00 0.00 N ATOM 371 CA ASN A 23 1.886 5.739 -4.784 1.00 0.00 C ATOM 372 C ASN A 23 1.995 7.245 -5.009 1.00 0.00 C ATOM 373 O ASN A 23 1.385 7.792 -5.927 1.00 0.00 O ATOM 374 CB ASN A 23 1.721 5.021 -6.125 1.00 0.00 C ATOM 375 CG ASN A 23 3.042 4.815 -6.838 1.00 0.00 C ATOM 376 OD1 ASN A 23 3.715 3.802 -6.645 1.00 0.00 O ATOM 377 ND2 ASN A 23 3.422 5.779 -7.668 1.00 0.00 N ATOM 0 H ASN A 23 -0.120 5.287 -4.383 1.00 0.00 H new ATOM 0 HA ASN A 23 2.803 5.395 -4.305 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.246 4.054 -5.960 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.053 5.599 -6.764 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.303 5.697 -8.176 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.833 6.602 -7.798 1.00 0.00 H new ATOM 384 N GLY A 24 2.776 7.907 -4.162 1.00 0.00 N ATOM 385 CA GLY A 24 2.955 9.342 -4.280 1.00 0.00 C ATOM 386 C GLY A 24 1.797 10.119 -3.687 1.00 0.00 C ATOM 387 O GLY A 24 1.983 10.932 -2.782 1.00 0.00 O ATOM 0 H GLY A 24 3.289 7.474 -3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.878 9.633 -3.779 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.066 9.606 -5.332 1.00 0.00 H new ATOM 391 N ARG A 25 0.600 9.867 -4.202 1.00 0.00 N ATOM 392 CA ARG A 25 -0.597 10.548 -3.722 1.00 0.00 C ATOM 393 C ARG A 25 -1.849 9.696 -3.931 1.00 0.00 C ATOM 394 O ARG A 25 -2.793 9.765 -3.145 1.00 0.00 O ATOM 395 CB ARG A 25 -0.760 11.897 -4.426 1.00 0.00 C ATOM 396 CG ARG A 25 -0.914 11.784 -5.934 1.00 0.00 C ATOM 397 CD ARG A 25 0.396 12.068 -6.652 1.00 0.00 C ATOM 398 NE ARG A 25 0.343 11.686 -8.060 1.00 0.00 N ATOM 399 CZ ARG A 25 1.184 12.142 -8.985 1.00 0.00 C ATOM 400 NH1 ARG A 25 2.146 12.994 -8.654 1.00 0.00 N ATOM 401 NH2 ARG A 25 1.063 11.745 -10.245 1.00 0.00 N ATOM 0 H ARG A 25 0.432 9.196 -4.952 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.476 10.713 -2.651 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.633 12.407 -4.018 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.106 12.520 -4.204 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.261 10.783 -6.191 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.677 12.484 -6.276 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.630 13.130 -6.573 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.204 11.526 -6.160 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.382 11.031 -8.352 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.243 13.302 -7.687 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.788 13.340 -9.367 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.325 11.090 -10.505 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.708 12.095 -10.954 1.00 0.00 H new ATOM 415 N THR A 26 -1.856 8.895 -4.994 1.00 0.00 N ATOM 416 CA THR A 26 -2.998 8.039 -5.296 1.00 0.00 C ATOM 417 C THR A 26 -2.816 6.652 -4.690 1.00 0.00 C ATOM 418 O THR A 26 -1.724 6.298 -4.245 1.00 0.00 O ATOM 419 CB THR A 26 -3.190 7.924 -6.809 1.00 0.00 C ATOM 420 OG1 THR A 26 -4.349 7.167 -7.111 1.00 0.00 O ATOM 421 CG2 THR A 26 -2.019 7.273 -7.513 1.00 0.00 C ATOM 0 H THR A 26 -1.085 8.822 -5.658 1.00 0.00 H new ATOM 0 HA THR A 26 -3.886 8.494 -4.856 1.00 0.00 H new ATOM 0 HB THR A 26 -3.284 8.949 -7.167 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.456 7.106 -8.083 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.220 7.223 -8.583 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.118 7.861 -7.340 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.875 6.265 -7.123 1.00 0.00 H new ATOM 429 N CYS A 27 -3.891 5.873 -4.675 1.00 0.00 N ATOM 430 CA CYS A 27 -3.845 4.524 -4.123 1.00 0.00 C ATOM 431 C CYS A 27 -3.717 3.484 -5.232 1.00 0.00 C ATOM 432 O CYS A 27 -3.820 3.805 -6.416 1.00 0.00 O ATOM 433 CB CYS A 27 -5.093 4.249 -3.284 1.00 0.00 C ATOM 434 SG CYS A 27 -4.788 3.195 -1.828 1.00 0.00 S ATOM 0 H CYS A 27 -4.803 6.151 -5.038 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.966 4.451 -3.483 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.511 5.199 -2.951 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.844 3.773 -3.914 1.00 0.00 H new ATOM 439 N ALA A 28 -3.482 2.237 -4.838 1.00 0.00 N ATOM 440 CA ALA A 28 -3.327 1.143 -5.790 1.00 0.00 C ATOM 441 C ALA A 28 -3.718 -0.191 -5.153 1.00 0.00 C ATOM 442 O ALA A 28 -4.055 -0.242 -3.970 1.00 0.00 O ATOM 443 CB ALA A 28 -1.907 1.108 -6.321 1.00 0.00 C ATOM 0 H ALA A 28 -3.394 1.958 -3.861 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.999 1.313 -6.631 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.804 0.287 -7.031 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.682 2.050 -6.821 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.213 0.962 -5.494 1.00 0.00 H new ATOM 449 N LYS A 29 -3.692 -1.268 -5.940 1.00 0.00 N ATOM 450 CA LYS A 29 -4.071 -2.586 -5.433 1.00 0.00 C ATOM 451 C LYS A 29 -3.242 -3.701 -6.068 1.00 0.00 C ATOM 452 O LYS A 29 -2.961 -3.680 -7.266 1.00 0.00 O ATOM 453 CB LYS A 29 -5.561 -2.836 -5.685 1.00 0.00 C ATOM 454 CG LYS A 29 -6.388 -2.934 -4.412 1.00 0.00 C ATOM 455 CD LYS A 29 -6.762 -4.374 -4.095 1.00 0.00 C ATOM 456 CE LYS A 29 -8.267 -4.586 -4.149 1.00 0.00 C ATOM 457 NZ LYS A 29 -8.893 -4.475 -2.801 1.00 0.00 N ATOM 0 H LYS A 29 -3.415 -1.254 -6.922 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.873 -2.596 -4.361 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.956 -2.030 -6.303 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.675 -3.759 -6.254 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.826 -2.512 -3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.294 -2.338 -4.520 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.274 -5.042 -4.805 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.392 -4.637 -3.104 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.713 -3.850 -4.818 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.480 -5.569 -4.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.828 -4.929 -2.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.289 -4.946 -2.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.999 -3.472 -2.549 1.00 0.00 H new ATOM 471 N PHE A 30 -2.859 -4.675 -5.246 1.00 0.00 N ATOM 472 CA PHE A 30 -2.064 -5.809 -5.705 1.00 0.00 C ATOM 473 C PHE A 30 -2.165 -6.971 -4.720 1.00 0.00 C ATOM 474 O PHE A 30 -2.795 -6.847 -3.671 1.00 0.00 O ATOM 475 CB PHE A 30 -0.599 -5.407 -5.904 1.00 0.00 C ATOM 476 CG PHE A 30 0.031 -4.683 -4.739 1.00 0.00 C ATOM 477 CD1 PHE A 30 -0.541 -4.702 -3.473 1.00 0.00 C ATOM 478 CD2 PHE A 30 1.216 -3.985 -4.917 1.00 0.00 C ATOM 479 CE1 PHE A 30 0.055 -4.040 -2.416 1.00 0.00 C ATOM 480 CE2 PHE A 30 1.817 -3.324 -3.864 1.00 0.00 C ATOM 481 CZ PHE A 30 1.236 -3.352 -2.612 1.00 0.00 C ATOM 0 H PHE A 30 -3.089 -4.700 -4.253 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.464 -6.132 -6.666 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.017 -6.305 -6.111 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.530 -4.772 -6.787 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.463 -5.241 -3.313 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.676 -3.958 -5.894 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.403 -4.061 -1.438 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.740 -2.786 -4.020 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.705 -2.836 -1.787 1.00 0.00 H new ATOM 491 N ILE A 31 -1.547 -8.101 -5.055 1.00 0.00 N ATOM 492 CA ILE A 31 -1.583 -9.263 -4.177 1.00 0.00 C ATOM 493 C ILE A 31 -0.418 -9.216 -3.199 1.00 0.00 C ATOM 494 O ILE A 31 0.728 -9.459 -3.574 1.00 0.00 O ATOM 495 CB ILE A 31 -1.522 -10.572 -4.982 1.00 0.00 C ATOM 496 CG1 ILE A 31 -2.633 -10.606 -6.032 1.00 0.00 C ATOM 497 CG2 ILE A 31 -1.621 -11.776 -4.057 1.00 0.00 C ATOM 498 CD1 ILE A 31 -4.025 -10.625 -5.438 1.00 0.00 C ATOM 0 H ILE A 31 -1.021 -8.235 -5.919 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.525 -9.237 -3.628 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.562 -10.615 -5.496 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.535 -9.736 -6.681 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.502 -11.488 -6.659 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.576 -12.692 -4.646 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.793 -11.759 -3.348 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.565 -11.740 -3.513 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.763 -10.649 -6.240 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.141 -11.509 -4.812 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.175 -9.730 -4.834 1.00 0.00 H new ATOM 510 N TYR A 32 -0.714 -8.888 -1.947 1.00 0.00 N ATOM 511 CA TYR A 32 0.319 -8.784 -0.924 1.00 0.00 C ATOM 512 C TYR A 32 0.553 -10.120 -0.229 1.00 0.00 C ATOM 513 O TYR A 32 -0.270 -10.577 0.563 1.00 0.00 O ATOM 514 CB TYR A 32 -0.068 -7.721 0.107 1.00 0.00 C ATOM 515 CG TYR A 32 0.901 -7.608 1.265 1.00 0.00 C ATOM 516 CD1 TYR A 32 2.270 -7.735 1.067 1.00 0.00 C ATOM 517 CD2 TYR A 32 0.445 -7.375 2.556 1.00 0.00 C ATOM 518 CE1 TYR A 32 3.157 -7.633 2.123 1.00 0.00 C ATOM 519 CE2 TYR A 32 1.325 -7.271 3.617 1.00 0.00 C ATOM 520 CZ TYR A 32 2.680 -7.401 3.395 1.00 0.00 C ATOM 521 OH TYR A 32 3.559 -7.298 4.448 1.00 0.00 O ATOM 0 H TYR A 32 -1.658 -8.690 -1.616 1.00 0.00 H new ATOM 0 HA TYR A 32 1.247 -8.493 -1.415 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.138 -6.754 -0.391 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.060 -7.951 0.497 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.648 -7.916 0.072 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.615 -7.273 2.734 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.218 -7.735 1.952 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.953 -7.089 4.615 1.00 0.00 H new ATOM 0 HH TYR A 32 3.060 -7.133 5.275 1.00 0.00 H new ATOM 531 N GLY A 33 1.693 -10.731 -0.532 1.00 0.00 N ATOM 532 CA GLY A 33 2.038 -12.001 0.073 1.00 0.00 C ATOM 533 C GLY A 33 2.848 -11.827 1.342 1.00 0.00 C ATOM 534 O GLY A 33 2.812 -12.677 2.230 1.00 0.00 O ATOM 0 H GLY A 33 2.385 -10.367 -1.187 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.126 -12.554 0.298 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.606 -12.599 -0.640 1.00 0.00 H new ATOM 538 N GLY A 34 3.576 -10.717 1.429 1.00 0.00 N ATOM 539 CA GLY A 34 4.382 -10.453 2.606 1.00 0.00 C ATOM 540 C GLY A 34 5.762 -9.909 2.278 1.00 0.00 C ATOM 541 O GLY A 34 6.495 -9.497 3.176 1.00 0.00 O ATOM 0 H GLY A 34 3.622 -9.998 0.707 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.860 -9.740 3.243 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.489 -11.374 3.179 1.00 0.00 H new ATOM 545 N CYS A 35 6.125 -9.906 0.996 1.00 0.00 N ATOM 546 CA CYS A 35 7.434 -9.406 0.583 1.00 0.00 C ATOM 547 C CYS A 35 7.308 -8.098 -0.193 1.00 0.00 C ATOM 548 O CYS A 35 6.873 -8.085 -1.348 1.00 0.00 O ATOM 549 CB CYS A 35 8.168 -10.454 -0.259 1.00 0.00 C ATOM 550 SG CYS A 35 8.247 -12.105 0.510 1.00 0.00 S ATOM 0 H CYS A 35 5.537 -10.241 0.233 1.00 0.00 H new ATOM 0 HA CYS A 35 8.014 -9.209 1.484 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.673 -10.539 -1.226 1.00 0.00 H new ATOM 0 HB3 CYS A 35 9.183 -10.105 -0.450 1.00 0.00 H new ATOM 555 N GLY A 36 7.697 -6.998 0.447 1.00 0.00 N ATOM 556 CA GLY A 36 7.625 -5.700 -0.199 1.00 0.00 C ATOM 557 C GLY A 36 6.902 -4.660 0.638 1.00 0.00 C ATOM 558 O GLY A 36 6.993 -3.464 0.360 1.00 0.00 O ATOM 0 H GLY A 36 8.060 -6.983 1.400 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.635 -5.349 -0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.116 -5.805 -1.157 1.00 0.00 H new ATOM 562 N GLY A 37 6.182 -5.110 1.661 1.00 0.00 N ATOM 563 CA GLY A 37 5.453 -4.191 2.514 1.00 0.00 C ATOM 564 C GLY A 37 6.301 -3.645 3.646 1.00 0.00 C ATOM 565 O GLY A 37 6.889 -4.406 4.414 1.00 0.00 O ATOM 0 H GLY A 37 6.091 -6.094 1.914 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.080 -3.362 1.913 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.583 -4.700 2.930 1.00 0.00 H new ATOM 569 N ASN A 38 6.357 -2.321 3.752 1.00 0.00 N ATOM 570 CA ASN A 38 7.133 -1.669 4.802 1.00 0.00 C ATOM 571 C ASN A 38 6.319 -0.557 5.462 1.00 0.00 C ATOM 572 O ASN A 38 5.839 -0.712 6.585 1.00 0.00 O ATOM 573 CB ASN A 38 8.442 -1.102 4.236 1.00 0.00 C ATOM 574 CG ASN A 38 8.295 -0.576 2.820 1.00 0.00 C ATOM 575 OD1 ASN A 38 7.185 -0.312 2.355 1.00 0.00 O ATOM 576 ND2 ASN A 38 9.417 -0.419 2.126 1.00 0.00 N ATOM 0 H ASN A 38 5.874 -1.678 3.124 1.00 0.00 H new ATOM 0 HA ASN A 38 7.376 -2.417 5.557 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.793 -0.297 4.882 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.206 -1.880 4.252 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.380 -0.067 1.169 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.315 -0.650 2.550 1.00 0.00 H new ATOM 583 N GLY A 39 6.165 0.558 4.756 1.00 0.00 N ATOM 584 CA GLY A 39 5.406 1.675 5.288 1.00 0.00 C ATOM 585 C GLY A 39 4.526 2.341 4.243 1.00 0.00 C ATOM 586 O GLY A 39 3.828 3.311 4.541 1.00 0.00 O ATOM 0 H GLY A 39 6.552 0.708 3.824 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.783 1.326 6.111 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.095 2.413 5.700 1.00 0.00 H new ATOM 590 N ASN A 40 4.561 1.828 3.014 1.00 0.00 N ATOM 591 CA ASN A 40 3.764 2.387 1.929 1.00 0.00 C ATOM 592 C ASN A 40 2.496 1.569 1.687 1.00 0.00 C ATOM 593 O ASN A 40 1.566 2.034 1.028 1.00 0.00 O ATOM 594 CB ASN A 40 4.595 2.448 0.646 1.00 0.00 C ATOM 595 CG ASN A 40 3.867 3.146 -0.485 1.00 0.00 C ATOM 596 OD1 ASN A 40 3.423 2.510 -1.440 1.00 0.00 O ATOM 597 ND2 ASN A 40 3.742 4.464 -0.381 1.00 0.00 N ATOM 0 H ASN A 40 5.133 1.027 2.747 1.00 0.00 H new ATOM 0 HA ASN A 40 3.466 3.395 2.219 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.531 2.969 0.848 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.854 1.436 0.337 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.262 4.990 -1.111 1.00 0.00 H new ATOM 0 HD22 ASN A 40 4.126 4.950 0.429 1.00 0.00 H new ATOM 604 N LYS A 41 2.465 0.349 2.215 1.00 0.00 N ATOM 605 CA LYS A 41 1.311 -0.526 2.042 1.00 0.00 C ATOM 606 C LYS A 41 0.290 -0.329 3.160 1.00 0.00 C ATOM 607 O LYS A 41 0.616 0.170 4.237 1.00 0.00 O ATOM 608 CB LYS A 41 1.755 -1.990 1.997 1.00 0.00 C ATOM 609 CG LYS A 41 0.801 -2.891 1.230 1.00 0.00 C ATOM 610 CD LYS A 41 1.280 -4.333 1.223 1.00 0.00 C ATOM 611 CE LYS A 41 2.646 -4.468 0.565 1.00 0.00 C ATOM 612 NZ LYS A 41 2.629 -5.440 -0.563 1.00 0.00 N ATOM 0 H LYS A 41 3.223 -0.055 2.765 1.00 0.00 H new ATOM 0 HA LYS A 41 0.836 -0.264 1.097 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.743 -2.048 1.540 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.853 -2.363 3.017 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.191 -2.838 1.679 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.706 -2.533 0.205 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.330 -4.705 2.246 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.558 -4.954 0.693 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.970 -3.494 0.199 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.376 -4.788 1.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.604 -5.630 -0.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.186 -6.327 -0.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.085 -5.043 -1.356 1.00 0.00 H new ATOM 626 N PHE A 42 -0.948 -0.733 2.891 1.00 0.00 N ATOM 627 CA PHE A 42 -2.030 -0.614 3.860 1.00 0.00 C ATOM 628 C PHE A 42 -3.142 -1.615 3.539 1.00 0.00 C ATOM 629 O PHE A 42 -3.482 -1.818 2.374 1.00 0.00 O ATOM 630 CB PHE A 42 -2.591 0.810 3.862 1.00 0.00 C ATOM 631 CG PHE A 42 -2.096 1.654 5.002 1.00 0.00 C ATOM 632 CD1 PHE A 42 -2.007 1.134 6.284 1.00 0.00 C ATOM 633 CD2 PHE A 42 -1.719 2.971 4.792 1.00 0.00 C ATOM 634 CE1 PHE A 42 -1.553 1.910 7.333 1.00 0.00 C ATOM 635 CE2 PHE A 42 -1.264 3.752 5.837 1.00 0.00 C ATOM 636 CZ PHE A 42 -1.180 3.221 7.109 1.00 0.00 C ATOM 0 H PHE A 42 -1.227 -1.149 2.002 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.632 -0.835 4.851 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.329 1.295 2.922 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.679 0.762 3.903 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.296 0.109 6.465 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.782 3.392 3.799 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -1.490 1.492 8.327 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -0.974 4.777 5.659 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.823 3.829 7.927 1.00 0.00 H new ATOM 646 N PRO A 43 -3.721 -2.260 4.566 1.00 0.00 N ATOM 647 CA PRO A 43 -4.791 -3.246 4.375 1.00 0.00 C ATOM 648 C PRO A 43 -5.995 -2.678 3.627 1.00 0.00 C ATOM 649 O PRO A 43 -6.573 -3.347 2.770 1.00 0.00 O ATOM 650 CB PRO A 43 -5.190 -3.633 5.804 1.00 0.00 C ATOM 651 CG PRO A 43 -4.005 -3.289 6.639 1.00 0.00 C ATOM 652 CD PRO A 43 -3.378 -2.090 5.990 1.00 0.00 C ATOM 0 HA PRO A 43 -4.452 -4.085 3.768 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.075 -3.086 6.129 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.428 -4.694 5.874 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.301 -3.068 7.665 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.303 -4.122 6.682 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.778 -1.159 6.392 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.299 -2.067 6.144 1.00 0.00 H new ATOM 660 N THR A 44 -6.377 -1.448 3.959 1.00 0.00 N ATOM 661 CA THR A 44 -7.521 -0.809 3.316 1.00 0.00 C ATOM 662 C THR A 44 -7.126 0.505 2.648 1.00 0.00 C ATOM 663 O THR A 44 -6.139 1.137 3.024 1.00 0.00 O ATOM 664 CB THR A 44 -8.627 -0.554 4.343 1.00 0.00 C ATOM 665 OG1 THR A 44 -8.118 0.140 5.467 1.00 0.00 O ATOM 666 CG2 THR A 44 -9.282 -1.823 4.844 1.00 0.00 C ATOM 0 H THR A 44 -5.914 -0.876 4.666 1.00 0.00 H new ATOM 0 HA THR A 44 -7.888 -1.485 2.544 1.00 0.00 H new ATOM 0 HB THR A 44 -9.376 0.040 3.819 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.841 0.295 6.111 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.056 -1.571 5.569 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.729 -2.357 4.006 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.533 -2.456 5.319 1.00 0.00 H new ATOM 674 N GLN A 45 -7.913 0.910 1.655 1.00 0.00 N ATOM 675 CA GLN A 45 -7.659 2.149 0.930 1.00 0.00 C ATOM 676 C GLN A 45 -7.964 3.362 1.804 1.00 0.00 C ATOM 677 O GLN A 45 -7.410 4.441 1.602 1.00 0.00 O ATOM 678 CB GLN A 45 -8.507 2.202 -0.343 1.00 0.00 C ATOM 679 CG GLN A 45 -8.195 3.393 -1.234 1.00 0.00 C ATOM 680 CD GLN A 45 -9.416 3.900 -1.977 1.00 0.00 C ATOM 681 OE1 GLN A 45 -9.943 3.224 -2.862 1.00 0.00 O ATOM 682 NE2 GLN A 45 -9.873 5.095 -1.622 1.00 0.00 N ATOM 0 H GLN A 45 -8.734 0.396 1.334 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.603 2.172 0.659 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.353 1.284 -0.911 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.561 2.232 -0.066 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -7.783 4.199 -0.626 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.426 3.112 -1.954 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.406 5.621 -0.884 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.691 5.487 -2.088 1.00 0.00 H new ATOM 691 N GLU A 46 -8.852 3.175 2.777 1.00 0.00 N ATOM 692 CA GLU A 46 -9.230 4.254 3.682 1.00 0.00 C ATOM 693 C GLU A 46 -8.015 4.786 4.437 1.00 0.00 C ATOM 694 O GLU A 46 -8.012 5.927 4.898 1.00 0.00 O ATOM 695 CB GLU A 46 -10.288 3.766 4.674 1.00 0.00 C ATOM 696 CG GLU A 46 -11.626 3.448 4.028 1.00 0.00 C ATOM 697 CD GLU A 46 -12.423 2.424 4.813 1.00 0.00 C ATOM 698 OE1 GLU A 46 -12.546 2.586 6.044 1.00 0.00 O ATOM 699 OE2 GLU A 46 -12.924 1.462 4.195 1.00 0.00 O ATOM 0 H GLU A 46 -9.322 2.288 2.958 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.646 5.066 3.085 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.917 2.874 5.179 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.435 4.528 5.439 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.209 4.365 3.937 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.458 3.076 3.017 1.00 0.00 H new ATOM 706 N ALA A 47 -6.987 3.952 4.562 1.00 0.00 N ATOM 707 CA ALA A 47 -5.771 4.342 5.263 1.00 0.00 C ATOM 708 C ALA A 47 -4.778 5.011 4.317 1.00 0.00 C ATOM 709 O ALA A 47 -4.137 5.999 4.675 1.00 0.00 O ATOM 710 CB ALA A 47 -5.135 3.131 5.928 1.00 0.00 C ATOM 0 H ALA A 47 -6.973 3.003 4.187 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.042 5.066 6.031 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.227 3.436 6.448 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.835 2.699 6.643 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.886 2.388 5.170 1.00 0.00 H new ATOM 716 N CYS A 48 -4.650 4.465 3.112 1.00 0.00 N ATOM 717 CA CYS A 48 -3.728 5.013 2.123 1.00 0.00 C ATOM 718 C CYS A 48 -4.082 6.458 1.781 1.00 0.00 C ATOM 719 O CYS A 48 -3.213 7.250 1.418 1.00 0.00 O ATOM 720 CB CYS A 48 -3.728 4.151 0.853 1.00 0.00 C ATOM 721 SG CYS A 48 -5.161 4.414 -0.247 1.00 0.00 S ATOM 0 H CYS A 48 -5.171 3.646 2.797 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.728 5.002 2.556 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.815 4.353 0.293 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.698 3.101 1.143 1.00 0.00 H new ATOM 726 N MET A 49 -5.363 6.793 1.895 1.00 0.00 N ATOM 727 CA MET A 49 -5.829 8.140 1.591 1.00 0.00 C ATOM 728 C MET A 49 -5.748 9.041 2.821 1.00 0.00 C ATOM 729 O MET A 49 -5.384 10.212 2.722 1.00 0.00 O ATOM 730 CB MET A 49 -7.268 8.095 1.069 1.00 0.00 C ATOM 731 CG MET A 49 -7.387 8.419 -0.412 1.00 0.00 C ATOM 732 SD MET A 49 -6.374 7.341 -1.442 1.00 0.00 S ATOM 733 CE MET A 49 -6.950 7.794 -3.075 1.00 0.00 C ATOM 0 H MET A 49 -6.096 6.150 2.195 1.00 0.00 H new ATOM 0 HA MET A 49 -5.180 8.556 0.820 1.00 0.00 H new ATOM 0 HB2 MET A 49 -7.681 7.102 1.250 1.00 0.00 H new ATOM 0 HB3 MET A 49 -7.874 8.801 1.637 1.00 0.00 H new ATOM 0 HG2 MET A 49 -8.430 8.331 -0.717 1.00 0.00 H new ATOM 0 HG3 MET A 49 -7.093 9.455 -0.578 1.00 0.00 H new ATOM 0 HE1 MET A 49 -6.415 7.210 -3.824 1.00 0.00 H new ATOM 0 HE2 MET A 49 -8.018 7.593 -3.153 1.00 0.00 H new ATOM 0 HE3 MET A 49 -6.767 8.855 -3.244 1.00 0.00 H new ATOM 743 N LYS A 50 -6.095 8.488 3.977 1.00 0.00 N ATOM 744 CA LYS A 50 -6.068 9.244 5.225 1.00 0.00 C ATOM 745 C LYS A 50 -4.638 9.475 5.715 1.00 0.00 C ATOM 746 O LYS A 50 -4.420 10.205 6.683 1.00 0.00 O ATOM 747 CB LYS A 50 -6.873 8.513 6.302 1.00 0.00 C ATOM 748 CG LYS A 50 -6.916 9.245 7.633 1.00 0.00 C ATOM 749 CD LYS A 50 -7.870 8.573 8.607 1.00 0.00 C ATOM 750 CE LYS A 50 -7.225 7.371 9.277 1.00 0.00 C ATOM 751 NZ LYS A 50 -6.657 7.715 10.610 1.00 0.00 N ATOM 0 H LYS A 50 -6.398 7.519 4.077 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.518 10.217 5.030 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.892 8.366 5.945 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.443 7.523 6.455 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.916 9.276 8.065 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.226 10.277 7.472 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.182 9.290 9.366 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.769 8.257 8.078 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.965 6.579 9.391 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.435 6.979 8.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.227 6.868 11.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.932 8.453 10.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.415 8.065 11.230 1.00 0.00 H new ATOM 765 N ARG A 51 -3.666 8.850 5.056 1.00 0.00 N ATOM 766 CA ARG A 51 -2.267 8.995 5.447 1.00 0.00 C ATOM 767 C ARG A 51 -1.475 9.799 4.419 1.00 0.00 C ATOM 768 O ARG A 51 -0.504 10.473 4.764 1.00 0.00 O ATOM 769 CB ARG A 51 -1.625 7.620 5.638 1.00 0.00 C ATOM 770 CG ARG A 51 -1.713 7.100 7.065 1.00 0.00 C ATOM 771 CD ARG A 51 -3.154 7.018 7.542 1.00 0.00 C ATOM 772 NE ARG A 51 -3.458 8.033 8.548 1.00 0.00 N ATOM 773 CZ ARG A 51 -3.077 7.952 9.821 1.00 0.00 C ATOM 774 NH1 ARG A 51 -2.373 6.910 10.247 1.00 0.00 N ATOM 775 NH2 ARG A 51 -3.397 8.918 10.672 1.00 0.00 N ATOM 0 H ARG A 51 -3.820 8.241 4.252 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.244 9.540 6.391 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.108 6.907 4.970 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.577 7.674 5.344 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.253 6.113 7.122 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.146 7.755 7.727 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.825 7.139 6.691 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.342 6.028 7.958 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.993 8.851 8.258 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.121 6.165 9.598 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.084 6.854 11.224 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.935 9.723 10.351 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.105 8.856 11.647 1.00 0.00 H new ATOM 789 N CYS A 52 -1.880 9.717 3.154 1.00 0.00 N ATOM 790 CA CYS A 52 -1.186 10.435 2.088 1.00 0.00 C ATOM 791 C CYS A 52 -2.099 11.446 1.396 1.00 0.00 C ATOM 792 O CYS A 52 -1.634 12.471 0.897 1.00 0.00 O ATOM 793 CB CYS A 52 -0.633 9.446 1.059 1.00 0.00 C ATOM 794 SG CYS A 52 0.845 10.041 0.174 1.00 0.00 S ATOM 0 H CYS A 52 -2.679 9.165 2.843 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.364 10.985 2.545 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.389 8.511 1.564 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -1.413 9.221 0.331 1.00 0.00 H new ATOM 799 N ALA A 53 -3.396 11.156 1.363 1.00 0.00 N ATOM 800 CA ALA A 53 -4.356 12.048 0.723 1.00 0.00 C ATOM 801 C ALA A 53 -4.848 13.118 1.690 1.00 0.00 C ATOM 802 O ALA A 53 -5.191 14.228 1.280 1.00 0.00 O ATOM 803 CB ALA A 53 -5.530 11.253 0.171 1.00 0.00 C ATOM 0 H ALA A 53 -3.805 10.315 1.770 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.850 12.549 -0.102 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -6.238 11.932 -0.304 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.169 10.534 -0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.025 10.723 0.985 1.00 0.00 H new ATOM 809 N LYS A 54 -4.882 12.781 2.975 1.00 0.00 N ATOM 810 CA LYS A 54 -5.334 13.719 3.995 1.00 0.00 C ATOM 811 C LYS A 54 -4.151 14.400 4.674 1.00 0.00 C ATOM 812 O LYS A 54 -4.072 15.627 4.724 1.00 0.00 O ATOM 813 CB LYS A 54 -6.192 13.001 5.037 1.00 0.00 C ATOM 814 CG LYS A 54 -7.644 12.832 4.618 1.00 0.00 C ATOM 815 CD LYS A 54 -8.411 11.962 5.601 1.00 0.00 C ATOM 816 CE LYS A 54 -9.796 12.524 5.879 1.00 0.00 C ATOM 817 NZ LYS A 54 -10.215 12.295 7.290 1.00 0.00 N ATOM 0 H LYS A 54 -4.603 11.868 3.334 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.936 14.484 3.505 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.763 12.019 5.234 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.155 13.559 5.973 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.120 13.810 4.549 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.687 12.385 3.625 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.501 10.952 5.202 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.853 11.887 6.535 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.803 13.593 5.667 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.518 12.061 5.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.164 12.693 7.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.233 11.274 7.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.541 12.759 7.932 1.00 0.00 H new ATOM 831 N ALA A 55 -3.232 13.595 5.197 1.00 0.00 N ATOM 832 CA ALA A 55 -2.051 14.121 5.873 1.00 0.00 C ATOM 833 C ALA A 55 -1.194 14.946 4.919 1.00 0.00 C ATOM 834 O ALA A 55 -1.198 14.642 3.708 1.00 0.00 O ATOM 835 CB ALA A 55 -1.236 12.984 6.471 1.00 0.00 C ATOM 836 OXT ALA A 55 -0.528 15.891 5.391 1.00 0.00 O ATOM 0 H ALA A 55 -3.282 12.577 5.166 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.384 14.776 6.678 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.358 13.390 6.972 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.846 12.439 7.192 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.920 12.307 5.678 1.00 0.00 H new