USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 307 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 CYS N :NH3+ -139:sc= 0.042 (180deg=0) USER MOD Single : A 1 CYS SG : rot 160:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.274 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -141:sc= 0.0571 (180deg=-1.08) USER MOD Single : A 21 SER OG : rot -42:sc= 1.3 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.00904 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 28 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.0137) USER MOD Single : A 31 ASN : amide:sc= -0.0744 X(o=-0.074,f=-0.088) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -20.521 0.790 2.265 1.00 0.00 N ATOM 2 CA CYS A 1 -20.520 -0.234 1.170 1.00 0.00 C ATOM 3 C CYS A 1 -20.519 -1.660 1.750 1.00 0.00 C ATOM 4 O CYS A 1 -20.479 -1.838 2.954 1.00 0.00 O ATOM 5 CB CYS A 1 -19.260 0.036 0.337 1.00 0.00 C ATOM 6 SG CYS A 1 -19.647 -0.114 -1.424 1.00 0.00 S ATOM 0 H1 CYS A 1 -21.165 1.567 2.013 1.00 0.00 H new ATOM 0 H2 CYS A 1 -20.840 0.350 3.152 1.00 0.00 H new ATOM 0 H3 CYS A 1 -19.559 1.165 2.391 1.00 0.00 H new ATOM 0 HA CYS A 1 -21.416 -0.161 0.554 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -18.878 1.034 0.551 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -18.475 -0.670 0.608 1.00 0.00 H new ATOM 0 HG CYS A 1 -18.744 0.509 -2.121 1.00 0.00 H new ATOM 14 N ALA A 2 -20.565 -2.660 0.898 1.00 0.00 N ATOM 15 CA ALA A 2 -20.573 -4.088 1.349 1.00 0.00 C ATOM 16 C ALA A 2 -19.930 -4.996 0.284 1.00 0.00 C ATOM 17 O ALA A 2 -20.485 -6.025 -0.058 1.00 0.00 O ATOM 18 CB ALA A 2 -22.059 -4.414 1.547 1.00 0.00 C ATOM 0 H ALA A 2 -20.598 -2.541 -0.114 1.00 0.00 H new ATOM 0 HA ALA A 2 -19.997 -4.248 2.260 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -22.164 -5.447 1.879 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -22.481 -3.746 2.298 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -22.589 -4.281 0.604 1.00 0.00 H new ATOM 24 N VAL A 3 -18.773 -4.632 -0.236 1.00 0.00 N ATOM 25 CA VAL A 3 -18.097 -5.483 -1.280 1.00 0.00 C ATOM 26 C VAL A 3 -17.833 -6.906 -0.757 1.00 0.00 C ATOM 27 O VAL A 3 -17.874 -7.864 -1.510 1.00 0.00 O ATOM 28 CB VAL A 3 -16.801 -4.788 -1.736 1.00 0.00 C ATOM 29 CG1 VAL A 3 -17.109 -3.426 -2.367 1.00 0.00 C ATOM 30 CG2 VAL A 3 -15.825 -4.585 -0.570 1.00 0.00 C ATOM 0 H VAL A 3 -18.268 -3.783 0.018 1.00 0.00 H new ATOM 0 HA VAL A 3 -18.757 -5.590 -2.141 1.00 0.00 H new ATOM 0 HB VAL A 3 -16.335 -5.441 -2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -16.179 -2.952 -2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -17.757 -3.564 -3.232 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -17.610 -2.791 -1.636 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -14.923 -4.092 -0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -16.295 -3.966 0.194 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -15.563 -5.553 -0.142 1.00 0.00 H new ATOM 40 N GLU A 4 -17.583 -7.020 0.526 1.00 0.00 N ATOM 41 CA GLU A 4 -17.325 -8.326 1.203 1.00 0.00 C ATOM 42 C GLU A 4 -18.295 -8.396 2.399 1.00 0.00 C ATOM 43 O GLU A 4 -17.961 -8.884 3.463 1.00 0.00 O ATOM 44 CB GLU A 4 -15.859 -8.216 1.641 1.00 0.00 C ATOM 45 CG GLU A 4 -15.278 -9.599 1.952 1.00 0.00 C ATOM 46 CD GLU A 4 -13.761 -9.608 1.727 1.00 0.00 C ATOM 47 OE1 GLU A 4 -13.067 -8.863 2.402 1.00 0.00 O ATOM 48 OE2 GLU A 4 -13.317 -10.365 0.879 1.00 0.00 O ATOM 0 H GLU A 4 -17.547 -6.220 1.158 1.00 0.00 H new ATOM 0 HA GLU A 4 -17.478 -9.221 0.599 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.274 -7.740 0.854 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.785 -7.579 2.522 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.500 -9.869 2.984 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.750 -10.349 1.318 1.00 0.00 H new ATOM 55 N LEU A 5 -19.501 -7.886 2.209 1.00 0.00 N ATOM 56 CA LEU A 5 -20.576 -7.846 3.256 1.00 0.00 C ATOM 57 C LEU A 5 -20.153 -7.038 4.498 1.00 0.00 C ATOM 58 O LEU A 5 -20.807 -7.104 5.525 1.00 0.00 O ATOM 59 CB LEU A 5 -20.940 -9.305 3.586 1.00 0.00 C ATOM 60 CG LEU A 5 -22.445 -9.557 3.412 1.00 0.00 C ATOM 61 CD1 LEU A 5 -23.223 -8.960 4.589 1.00 0.00 C ATOM 62 CD2 LEU A 5 -22.959 -8.940 2.103 1.00 0.00 C ATOM 0 H LEU A 5 -19.791 -7.476 1.321 1.00 0.00 H new ATOM 0 HA LEU A 5 -21.455 -7.322 2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -20.379 -9.978 2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -20.647 -9.532 4.611 1.00 0.00 H new ATOM 0 HG LEU A 5 -22.600 -10.635 3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -24.288 -9.146 4.453 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -22.890 -9.423 5.518 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -23.045 -7.886 4.635 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -24.027 -9.133 2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -22.784 -7.864 2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -22.431 -9.384 1.259 1.00 0.00 H new ATOM 74 N ARG A 6 -19.077 -6.281 4.408 1.00 0.00 N ATOM 75 CA ARG A 6 -18.560 -5.444 5.537 1.00 0.00 C ATOM 76 C ARG A 6 -17.305 -4.675 5.077 1.00 0.00 C ATOM 77 O ARG A 6 -16.356 -4.542 5.831 1.00 0.00 O ATOM 78 CB ARG A 6 -18.192 -6.447 6.640 1.00 0.00 C ATOM 79 CG ARG A 6 -18.423 -5.827 8.020 1.00 0.00 C ATOM 80 CD ARG A 6 -17.223 -6.113 8.927 1.00 0.00 C ATOM 81 NE ARG A 6 -17.526 -5.407 10.206 1.00 0.00 N ATOM 82 CZ ARG A 6 -17.066 -4.201 10.417 1.00 0.00 C ATOM 83 NH1 ARG A 6 -15.881 -4.043 10.945 1.00 0.00 N ATOM 84 NH2 ARG A 6 -17.800 -3.166 10.095 1.00 0.00 N ATOM 0 H ARG A 6 -18.517 -6.211 3.559 1.00 0.00 H new ATOM 0 HA ARG A 6 -19.289 -4.710 5.881 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -18.793 -7.350 6.535 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -17.148 -6.744 6.537 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -18.570 -4.751 7.925 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -19.331 -6.235 8.464 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -17.097 -7.184 9.088 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -16.297 -5.746 8.484 1.00 0.00 H new ATOM 0 HE ARG A 6 -18.094 -5.866 10.918 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -15.319 -4.858 11.191 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -15.518 -3.104 11.111 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -18.723 -3.304 9.683 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -17.449 -2.222 10.256 1.00 0.00 H new ATOM 98 N SER A 7 -17.274 -4.177 3.857 1.00 0.00 N ATOM 99 CA SER A 7 -16.073 -3.436 3.360 1.00 0.00 C ATOM 100 C SER A 7 -16.452 -2.332 2.356 1.00 0.00 C ATOM 101 O SER A 7 -17.443 -2.458 1.660 1.00 0.00 O ATOM 102 CB SER A 7 -15.240 -4.545 2.708 1.00 0.00 C ATOM 103 OG SER A 7 -14.161 -3.999 1.962 1.00 0.00 O ATOM 0 H SER A 7 -18.037 -4.255 3.184 1.00 0.00 H new ATOM 0 HA SER A 7 -15.539 -2.905 4.148 1.00 0.00 H new ATOM 0 HB2 SER A 7 -14.854 -5.214 3.477 1.00 0.00 H new ATOM 0 HB3 SER A 7 -15.873 -5.144 2.053 1.00 0.00 H new ATOM 0 HG SER A 7 -13.643 -4.725 1.557 1.00 0.00 H new ATOM 109 N PRO A 8 -15.645 -1.290 2.310 1.00 0.00 N ATOM 110 CA PRO A 8 -15.891 -0.151 1.376 1.00 0.00 C ATOM 111 C PRO A 8 -15.601 -0.546 -0.083 1.00 0.00 C ATOM 112 O PRO A 8 -14.923 -1.521 -0.351 1.00 0.00 O ATOM 113 CB PRO A 8 -14.926 0.932 1.858 1.00 0.00 C ATOM 114 CG PRO A 8 -13.830 0.198 2.551 1.00 0.00 C ATOM 115 CD PRO A 8 -14.430 -1.059 3.113 1.00 0.00 C ATOM 0 HA PRO A 8 -16.930 0.177 1.384 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -14.541 1.517 1.023 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -15.422 1.629 2.534 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -13.024 -0.037 1.856 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -13.399 0.808 3.345 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.738 -1.897 3.033 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -14.671 -0.944 4.170 1.00 0.00 H new ATOM 123 N GLY A 9 -16.117 0.218 -1.016 1.00 0.00 N ATOM 124 CA GLY A 9 -15.905 -0.063 -2.469 1.00 0.00 C ATOM 125 C GLY A 9 -14.637 0.642 -2.963 1.00 0.00 C ATOM 126 O GLY A 9 -14.318 1.720 -2.501 1.00 0.00 O ATOM 0 H GLY A 9 -16.688 1.041 -0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -15.819 -1.138 -2.631 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -16.767 0.278 -3.043 1.00 0.00 H new ATOM 130 N ILE A 10 -13.933 0.030 -3.893 1.00 0.00 N ATOM 131 CA ILE A 10 -12.666 0.567 -4.500 1.00 0.00 C ATOM 132 C ILE A 10 -11.539 0.958 -3.515 1.00 0.00 C ATOM 133 O ILE A 10 -10.533 1.480 -3.957 1.00 0.00 O ATOM 134 CB ILE A 10 -13.123 1.717 -5.420 1.00 0.00 C ATOM 135 CG1 ILE A 10 -12.303 1.677 -6.724 1.00 0.00 C ATOM 136 CG2 ILE A 10 -13.057 3.098 -4.747 1.00 0.00 C ATOM 137 CD1 ILE A 10 -11.163 2.706 -6.751 1.00 0.00 C ATOM 0 H ILE A 10 -14.205 -0.875 -4.277 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.159 -0.226 -5.049 1.00 0.00 H new ATOM 0 HB ILE A 10 -14.178 1.564 -5.648 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.886 0.678 -6.853 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -12.967 1.857 -7.569 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -13.392 3.861 -5.449 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -13.702 3.106 -3.868 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -12.031 3.307 -4.446 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -10.624 2.627 -7.695 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -11.576 3.710 -6.652 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -10.479 2.513 -5.925 1.00 0.00 H new ATOM 149 N SER A 11 -11.654 0.729 -2.226 1.00 0.00 N ATOM 150 CA SER A 11 -10.557 1.105 -1.273 1.00 0.00 C ATOM 151 C SER A 11 -9.687 -0.110 -0.920 1.00 0.00 C ATOM 152 O SER A 11 -8.495 0.039 -0.712 1.00 0.00 O ATOM 153 CB SER A 11 -11.245 1.686 -0.034 1.00 0.00 C ATOM 154 OG SER A 11 -10.335 2.535 0.660 1.00 0.00 O ATOM 0 H SER A 11 -12.467 0.294 -1.790 1.00 0.00 H new ATOM 0 HA SER A 11 -9.881 1.835 -1.718 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.132 2.248 -0.327 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.579 0.881 0.621 1.00 0.00 H new ATOM 0 HG SER A 11 -10.775 2.908 1.452 1.00 0.00 H new ATOM 160 N ARG A 12 -10.254 -1.296 -0.857 1.00 0.00 N ATOM 161 CA ARG A 12 -9.449 -2.517 -0.526 1.00 0.00 C ATOM 162 C ARG A 12 -8.411 -2.782 -1.631 1.00 0.00 C ATOM 163 O ARG A 12 -7.329 -3.259 -1.342 1.00 0.00 O ATOM 164 CB ARG A 12 -10.430 -3.689 -0.344 1.00 0.00 C ATOM 165 CG ARG A 12 -11.228 -4.004 -1.619 1.00 0.00 C ATOM 166 CD ARG A 12 -11.109 -5.496 -1.949 1.00 0.00 C ATOM 167 NE ARG A 12 -10.817 -5.581 -3.413 1.00 0.00 N ATOM 168 CZ ARG A 12 -11.782 -5.579 -4.303 1.00 0.00 C ATOM 169 NH1 ARG A 12 -12.841 -6.331 -4.124 1.00 0.00 N ATOM 170 NH2 ARG A 12 -11.687 -4.828 -5.374 1.00 0.00 N ATOM 0 H ARG A 12 -11.246 -1.469 -1.022 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.886 -2.383 0.398 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.875 -4.577 -0.040 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -11.123 -3.454 0.464 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -12.275 -3.735 -1.480 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.854 -3.407 -2.451 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.313 -5.961 -1.366 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.032 -6.023 -1.706 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.848 -5.642 -3.727 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.915 -6.918 -3.293 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.591 -6.329 -4.816 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.863 -4.245 -5.516 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.438 -4.827 -6.065 1.00 0.00 H new ATOM 184 N PHE A 13 -8.730 -2.461 -2.868 1.00 0.00 N ATOM 185 CA PHE A 13 -7.787 -2.661 -4.013 1.00 0.00 C ATOM 186 C PHE A 13 -6.721 -1.550 -3.966 1.00 0.00 C ATOM 187 O PHE A 13 -5.593 -1.773 -4.371 1.00 0.00 O ATOM 188 CB PHE A 13 -8.676 -2.647 -5.276 1.00 0.00 C ATOM 189 CG PHE A 13 -8.166 -1.723 -6.363 1.00 0.00 C ATOM 190 CD1 PHE A 13 -7.220 -2.175 -7.294 1.00 0.00 C ATOM 191 CD2 PHE A 13 -8.644 -0.407 -6.435 1.00 0.00 C ATOM 192 CE1 PHE A 13 -6.755 -1.313 -8.294 1.00 0.00 C ATOM 193 CE2 PHE A 13 -8.178 0.453 -7.435 1.00 0.00 C ATOM 194 CZ PHE A 13 -7.234 0.000 -8.364 1.00 0.00 C ATOM 0 H PHE A 13 -9.629 -2.059 -3.134 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.230 -3.598 -3.989 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.745 -3.660 -5.674 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -9.685 -2.345 -4.997 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.850 -3.188 -7.240 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -9.372 -0.057 -5.718 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.027 -1.661 -9.011 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -8.547 1.467 -7.490 1.00 0.00 H new ATOM 0 HZ PHE A 13 -6.875 0.665 -9.136 1.00 0.00 H new ATOM 204 N ARG A 14 -7.070 -0.373 -3.472 1.00 0.00 N ATOM 205 CA ARG A 14 -6.098 0.766 -3.377 1.00 0.00 C ATOM 206 C ARG A 14 -4.872 0.367 -2.538 1.00 0.00 C ATOM 207 O ARG A 14 -3.808 0.918 -2.744 1.00 0.00 O ATOM 208 CB ARG A 14 -6.840 1.934 -2.713 1.00 0.00 C ATOM 209 CG ARG A 14 -7.596 2.746 -3.767 1.00 0.00 C ATOM 210 CD ARG A 14 -8.490 3.781 -3.075 1.00 0.00 C ATOM 211 NE ARG A 14 -7.738 5.072 -3.059 1.00 0.00 N ATOM 212 CZ ARG A 14 -8.338 6.162 -2.651 1.00 0.00 C ATOM 213 NH1 ARG A 14 -9.378 6.612 -3.307 1.00 0.00 N ATOM 214 NH2 ARG A 14 -7.896 6.790 -1.590 1.00 0.00 N ATOM 0 H ARG A 14 -8.005 -0.157 -3.127 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.736 1.045 -4.367 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -7.538 1.554 -1.967 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.131 2.575 -2.189 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.890 3.246 -4.431 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -8.201 2.084 -4.386 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -9.434 3.892 -3.608 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.732 3.464 -2.061 1.00 0.00 H new ATOM 0 HE ARG A 14 -6.765 5.104 -3.363 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.716 6.114 -4.130 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -9.850 7.460 -2.995 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.087 6.430 -1.084 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -8.361 7.639 -1.269 1.00 0.00 H new ATOM 228 N ARG A 15 -5.002 -0.574 -1.620 1.00 0.00 N ATOM 229 CA ARG A 15 -3.840 -1.016 -0.780 1.00 0.00 C ATOM 230 C ARG A 15 -2.705 -1.505 -1.694 1.00 0.00 C ATOM 231 O ARG A 15 -1.547 -1.221 -1.440 1.00 0.00 O ATOM 232 CB ARG A 15 -4.346 -2.164 0.104 1.00 0.00 C ATOM 233 CG ARG A 15 -4.766 -1.632 1.480 1.00 0.00 C ATOM 234 CD ARG A 15 -6.289 -1.452 1.547 1.00 0.00 C ATOM 235 NE ARG A 15 -6.858 -2.819 1.748 1.00 0.00 N ATOM 236 CZ ARG A 15 -7.106 -3.267 2.954 1.00 0.00 C ATOM 237 NH1 ARG A 15 -8.071 -2.733 3.659 1.00 0.00 N ATOM 238 NH2 ARG A 15 -6.386 -4.244 3.447 1.00 0.00 N ATOM 0 H ARG A 15 -5.877 -1.058 -1.418 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.453 -0.201 -0.169 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.191 -2.656 -0.376 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.564 -2.914 0.220 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.441 -2.323 2.258 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.273 -0.679 1.674 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.568 -0.789 2.366 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.669 -1.002 0.630 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.055 -3.409 0.939 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.626 -1.971 3.269 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -8.268 -3.079 4.598 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.635 -4.654 2.892 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.577 -4.595 4.386 1.00 0.00 H new ATOM 252 N LYS A 16 -3.033 -2.220 -2.751 1.00 0.00 N ATOM 253 CA LYS A 16 -1.996 -2.727 -3.705 1.00 0.00 C ATOM 254 C LYS A 16 -1.296 -1.531 -4.369 1.00 0.00 C ATOM 255 O LYS A 16 -0.094 -1.573 -4.572 1.00 0.00 O ATOM 256 CB LYS A 16 -2.743 -3.589 -4.730 1.00 0.00 C ATOM 257 CG LYS A 16 -1.755 -4.447 -5.526 1.00 0.00 C ATOM 258 CD LYS A 16 -2.404 -4.915 -6.834 1.00 0.00 C ATOM 259 CE LYS A 16 -1.624 -4.366 -8.037 1.00 0.00 C ATOM 260 NZ LYS A 16 -0.520 -5.338 -8.305 1.00 0.00 N ATOM 0 H LYS A 16 -3.991 -2.475 -2.993 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.225 -3.318 -3.211 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.463 -4.230 -4.220 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.309 -2.951 -5.408 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.854 -3.873 -5.742 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.449 -5.309 -4.933 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.423 -6.004 -6.870 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.439 -4.576 -6.877 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.273 -4.266 -8.907 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.225 -3.375 -7.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.042 -5.010 -9.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.091 -5.409 -7.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.924 -6.272 -8.519 1.00 0.00 H new ATOM 274 N ILE A 17 -2.027 -0.481 -4.690 1.00 0.00 N ATOM 275 CA ILE A 17 -1.407 0.729 -5.327 1.00 0.00 C ATOM 276 C ILE A 17 -0.396 1.291 -4.317 1.00 0.00 C ATOM 277 O ILE A 17 0.715 1.631 -4.679 1.00 0.00 O ATOM 278 CB ILE A 17 -2.525 1.748 -5.612 1.00 0.00 C ATOM 279 CG1 ILE A 17 -3.560 1.158 -6.580 1.00 0.00 C ATOM 280 CG2 ILE A 17 -1.931 3.015 -6.244 1.00 0.00 C ATOM 281 CD1 ILE A 17 -4.789 2.069 -6.660 1.00 0.00 C ATOM 0 H ILE A 17 -3.033 -0.413 -4.536 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.904 0.497 -6.266 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.009 1.992 -4.666 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.119 1.043 -7.570 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.856 0.164 -6.245 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.729 3.731 -6.443 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.208 3.458 -5.560 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.434 2.757 -7.179 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.516 1.640 -7.350 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.238 2.162 -5.671 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.489 3.054 -7.016 1.00 0.00 H new ATOM 293 N ALA A 18 -0.782 1.373 -3.061 1.00 0.00 N ATOM 294 CA ALA A 18 0.132 1.893 -1.996 1.00 0.00 C ATOM 295 C ALA A 18 1.314 0.926 -1.825 1.00 0.00 C ATOM 296 O ALA A 18 2.418 1.368 -1.572 1.00 0.00 O ATOM 297 CB ALA A 18 -0.704 1.990 -0.715 1.00 0.00 C ATOM 0 H ALA A 18 -1.706 1.097 -2.728 1.00 0.00 H new ATOM 0 HA ALA A 18 0.546 2.870 -2.248 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.082 2.366 0.098 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.540 2.670 -0.877 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.085 1.003 -0.453 1.00 0.00 H new ATOM 303 N LYS A 19 1.098 -0.368 -1.967 1.00 0.00 N ATOM 304 CA LYS A 19 2.207 -1.371 -1.825 1.00 0.00 C ATOM 305 C LYS A 19 3.369 -1.009 -2.767 1.00 0.00 C ATOM 306 O LYS A 19 4.522 -1.191 -2.418 1.00 0.00 O ATOM 307 CB LYS A 19 1.605 -2.733 -2.197 1.00 0.00 C ATOM 308 CG LYS A 19 1.756 -3.714 -1.031 1.00 0.00 C ATOM 309 CD LYS A 19 3.053 -4.515 -1.192 1.00 0.00 C ATOM 310 CE LYS A 19 3.883 -4.477 0.099 1.00 0.00 C ATOM 311 NZ LYS A 19 4.407 -3.082 0.245 1.00 0.00 N ATOM 0 H LYS A 19 0.186 -0.774 -2.178 1.00 0.00 H new ATOM 0 HA LYS A 19 2.608 -1.388 -0.812 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.551 -2.616 -2.449 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.103 -3.129 -3.082 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.768 -3.171 -0.086 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.902 -4.390 -0.999 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.818 -5.548 -1.448 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.637 -4.107 -2.017 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.271 -4.750 0.959 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.703 -5.193 0.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.382 -3.113 0.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.396 -2.608 -0.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.808 -2.554 0.911 1.00 0.00 H new ATOM 325 N ARG A 20 3.057 -0.492 -3.939 1.00 0.00 N ATOM 326 CA ARG A 20 4.107 -0.091 -4.928 1.00 0.00 C ATOM 327 C ARG A 20 4.900 1.099 -4.366 1.00 0.00 C ATOM 328 O ARG A 20 6.118 1.091 -4.403 1.00 0.00 O ATOM 329 CB ARG A 20 3.364 0.314 -6.211 1.00 0.00 C ATOM 330 CG ARG A 20 3.748 -0.607 -7.374 1.00 0.00 C ATOM 331 CD ARG A 20 3.581 0.138 -8.705 1.00 0.00 C ATOM 332 NE ARG A 20 3.915 -0.853 -9.772 1.00 0.00 N ATOM 333 CZ ARG A 20 3.096 -1.051 -10.772 1.00 0.00 C ATOM 334 NH1 ARG A 20 2.116 -1.907 -10.645 1.00 0.00 N ATOM 335 NH2 ARG A 20 3.269 -0.392 -11.889 1.00 0.00 N ATOM 0 H ARG A 20 2.100 -0.330 -4.253 1.00 0.00 H new ATOM 0 HA ARG A 20 4.809 -0.900 -5.129 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.288 0.267 -6.044 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.603 1.347 -6.465 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.780 -0.940 -7.260 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.122 -1.499 -7.365 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.562 0.508 -8.821 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.242 1.003 -8.754 1.00 0.00 H new ATOM 0 HE ARG A 20 4.788 -1.379 -9.720 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.994 -2.416 -9.770 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.474 -2.066 -11.421 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.039 0.271 -11.976 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.634 -0.542 -12.673 1.00 0.00 H new ATOM 349 N SER A 21 4.226 2.109 -3.849 1.00 0.00 N ATOM 350 CA SER A 21 4.945 3.297 -3.284 1.00 0.00 C ATOM 351 C SER A 21 5.794 2.897 -2.067 1.00 0.00 C ATOM 352 O SER A 21 6.862 3.449 -1.869 1.00 0.00 O ATOM 353 CB SER A 21 3.884 4.353 -2.936 1.00 0.00 C ATOM 354 OG SER A 21 3.137 3.972 -1.784 1.00 0.00 O ATOM 0 H SER A 21 3.209 2.158 -3.796 1.00 0.00 H new ATOM 0 HA SER A 21 5.644 3.711 -4.010 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.368 5.313 -2.758 1.00 0.00 H new ATOM 0 HB3 SER A 21 3.210 4.488 -3.782 1.00 0.00 H new ATOM 0 HG SER A 21 2.925 3.016 -1.833 1.00 0.00 H new ATOM 360 N ILE A 22 5.342 1.950 -1.271 1.00 0.00 N ATOM 361 CA ILE A 22 6.124 1.502 -0.071 1.00 0.00 C ATOM 362 C ILE A 22 7.407 0.793 -0.538 1.00 0.00 C ATOM 363 O ILE A 22 8.441 0.947 0.083 1.00 0.00 O ATOM 364 CB ILE A 22 5.215 0.559 0.735 1.00 0.00 C ATOM 365 CG1 ILE A 22 3.999 1.330 1.265 1.00 0.00 C ATOM 366 CG2 ILE A 22 5.983 -0.026 1.927 1.00 0.00 C ATOM 367 CD1 ILE A 22 2.812 0.381 1.447 1.00 0.00 C ATOM 0 H ILE A 22 4.455 1.465 -1.405 1.00 0.00 H new ATOM 0 HA ILE A 22 6.425 2.341 0.556 1.00 0.00 H new ATOM 0 HB ILE A 22 4.887 -0.247 0.078 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.245 1.803 2.216 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.734 2.128 0.571 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.329 -0.692 2.490 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.846 -0.585 1.565 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.321 0.783 2.574 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.955 0.939 1.824 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.558 -0.072 0.489 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.077 -0.401 2.159 1.00 0.00 H new ATOM 379 N LYS A 23 7.350 0.037 -1.616 1.00 0.00 N ATOM 380 CA LYS A 23 8.565 -0.674 -2.131 1.00 0.00 C ATOM 381 C LYS A 23 9.625 0.376 -2.503 1.00 0.00 C ATOM 382 O LYS A 23 10.779 0.244 -2.136 1.00 0.00 O ATOM 383 CB LYS A 23 8.108 -1.479 -3.354 1.00 0.00 C ATOM 384 CG LYS A 23 9.213 -2.455 -3.766 1.00 0.00 C ATOM 385 CD LYS A 23 8.624 -3.612 -4.580 1.00 0.00 C ATOM 386 CE LYS A 23 8.846 -3.361 -6.076 1.00 0.00 C ATOM 387 NZ LYS A 23 8.226 -4.519 -6.783 1.00 0.00 N ATOM 0 H LYS A 23 6.503 -0.117 -2.164 1.00 0.00 H new ATOM 0 HA LYS A 23 9.009 -1.344 -1.394 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.194 -2.025 -3.122 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.876 -0.806 -4.180 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.967 -1.933 -4.355 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.714 -2.843 -2.879 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.093 -4.551 -4.286 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.558 -3.709 -4.372 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.387 -2.423 -6.387 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.909 -3.287 -6.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.346 -4.404 -7.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.687 -5.400 -6.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.212 -4.562 -6.556 1.00 0.00 H new ATOM 401 N THR A 24 9.233 1.412 -3.210 1.00 0.00 N ATOM 402 CA THR A 24 10.203 2.486 -3.596 1.00 0.00 C ATOM 403 C THR A 24 10.626 3.221 -2.313 1.00 0.00 C ATOM 404 O THR A 24 11.791 3.522 -2.140 1.00 0.00 O ATOM 405 CB THR A 24 9.474 3.433 -4.563 1.00 0.00 C ATOM 406 OG1 THR A 24 8.728 2.681 -5.515 1.00 0.00 O ATOM 407 CG2 THR A 24 10.493 4.301 -5.303 1.00 0.00 C ATOM 0 H THR A 24 8.278 1.559 -3.537 1.00 0.00 H new ATOM 0 HA THR A 24 11.094 2.090 -4.083 1.00 0.00 H new ATOM 0 HB THR A 24 8.797 4.066 -3.989 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.266 3.293 -6.125 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.972 4.971 -5.987 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.061 4.889 -4.582 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.173 3.663 -5.867 1.00 0.00 H new ATOM 415 N LEU A 25 9.685 3.492 -1.427 1.00 0.00 N ATOM 416 CA LEU A 25 9.970 4.193 -0.133 1.00 0.00 C ATOM 417 C LEU A 25 10.944 3.357 0.710 1.00 0.00 C ATOM 418 O LEU A 25 11.833 3.910 1.326 1.00 0.00 O ATOM 419 CB LEU A 25 8.620 4.337 0.583 1.00 0.00 C ATOM 420 CG LEU A 25 8.777 5.152 1.874 1.00 0.00 C ATOM 421 CD1 LEU A 25 7.857 6.374 1.843 1.00 0.00 C ATOM 422 CD2 LEU A 25 8.412 4.277 3.078 1.00 0.00 C ATOM 0 H LEU A 25 8.704 3.246 -1.557 1.00 0.00 H new ATOM 0 HA LEU A 25 10.432 5.167 -0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.903 4.825 -0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.219 3.351 0.816 1.00 0.00 H new ATOM 0 HG LEU A 25 9.812 5.485 1.957 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.978 6.944 2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.116 7.003 0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.821 6.047 1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.523 4.855 3.995 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.379 3.941 2.984 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.073 3.411 3.112 1.00 0.00 H new ATOM 434 N GLU A 26 10.790 2.054 0.738 1.00 0.00 N ATOM 435 CA GLU A 26 11.711 1.187 1.535 1.00 0.00 C ATOM 436 C GLU A 26 13.087 1.138 0.859 1.00 0.00 C ATOM 437 O GLU A 26 14.091 1.162 1.543 1.00 0.00 O ATOM 438 CB GLU A 26 11.057 -0.196 1.594 1.00 0.00 C ATOM 439 CG GLU A 26 9.982 -0.194 2.686 1.00 0.00 C ATOM 440 CD GLU A 26 9.619 -1.631 3.057 1.00 0.00 C ATOM 441 OE1 GLU A 26 10.364 -2.223 3.820 1.00 0.00 O ATOM 442 OE2 GLU A 26 8.607 -2.112 2.575 1.00 0.00 O ATOM 0 H GLU A 26 10.058 1.551 0.237 1.00 0.00 H new ATOM 0 HA GLU A 26 11.869 1.570 2.543 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.613 -0.444 0.630 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.807 -0.958 1.805 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.345 0.338 3.566 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.096 0.336 2.336 1.00 0.00 H new ATOM 449 N HIS A 27 13.136 1.079 -0.457 1.00 0.00 N ATOM 450 CA HIS A 27 14.438 1.035 -1.201 1.00 0.00 C ATOM 451 C HIS A 27 15.337 2.212 -0.786 1.00 0.00 C ATOM 452 O HIS A 27 16.519 2.031 -0.563 1.00 0.00 O ATOM 453 CB HIS A 27 14.071 1.129 -2.688 1.00 0.00 C ATOM 454 CG HIS A 27 15.266 0.796 -3.538 1.00 0.00 C ATOM 455 ND1 HIS A 27 16.178 1.758 -3.939 1.00 0.00 N ATOM 456 CD2 HIS A 27 15.710 -0.389 -4.070 1.00 0.00 C ATOM 457 CE1 HIS A 27 17.116 1.143 -4.680 1.00 0.00 C ATOM 458 NE2 HIS A 27 16.880 -0.166 -4.792 1.00 0.00 N ATOM 0 H HIS A 27 12.310 1.059 -1.055 1.00 0.00 H new ATOM 0 HA HIS A 27 14.995 0.123 -0.984 1.00 0.00 H new ATOM 0 HB2 HIS A 27 13.253 0.444 -2.913 1.00 0.00 H new ATOM 0 HB3 HIS A 27 13.718 2.134 -2.921 1.00 0.00 H new ATOM 0 HD2 HIS A 27 15.226 -1.347 -3.948 1.00 0.00 H new ATOM 0 HE1 HIS A 27 17.958 1.647 -5.130 1.00 0.00 H new ATOM 0 HE2 HIS A 27 17.437 -0.855 -5.298 1.00 0.00 H new ATOM 466 N LYS A 28 14.784 3.400 -0.676 1.00 0.00 N ATOM 467 CA LYS A 28 15.603 4.585 -0.267 1.00 0.00 C ATOM 468 C LYS A 28 15.676 4.741 1.267 1.00 0.00 C ATOM 469 O LYS A 28 16.251 5.703 1.736 1.00 0.00 O ATOM 470 CB LYS A 28 14.972 5.812 -0.949 1.00 0.00 C ATOM 471 CG LYS A 28 13.590 6.153 -0.374 1.00 0.00 C ATOM 472 CD LYS A 28 12.620 6.516 -1.505 1.00 0.00 C ATOM 473 CE LYS A 28 12.550 8.039 -1.694 1.00 0.00 C ATOM 474 NZ LYS A 28 11.647 8.577 -0.630 1.00 0.00 N ATOM 0 H LYS A 28 13.799 3.598 -0.853 1.00 0.00 H new ATOM 0 HA LYS A 28 16.639 4.463 -0.583 1.00 0.00 H new ATOM 0 HB2 LYS A 28 15.634 6.670 -0.831 1.00 0.00 H new ATOM 0 HB3 LYS A 28 14.881 5.624 -2.019 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.203 5.304 0.188 1.00 0.00 H new ATOM 0 HG3 LYS A 28 13.674 6.986 0.324 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.943 6.044 -2.433 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.627 6.127 -1.278 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.543 8.482 -1.616 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.167 8.286 -2.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.887 9.571 -0.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.659 8.514 -0.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.766 8.021 0.241 1.00 0.00 H new ATOM 488 N ARG A 29 15.120 3.826 2.038 1.00 0.00 N ATOM 489 CA ARG A 29 15.166 3.920 3.534 1.00 0.00 C ATOM 490 C ARG A 29 16.057 2.818 4.128 1.00 0.00 C ATOM 491 O ARG A 29 16.815 3.095 5.040 1.00 0.00 O ATOM 492 CB ARG A 29 13.718 3.779 4.019 1.00 0.00 C ATOM 493 CG ARG A 29 13.214 5.137 4.518 1.00 0.00 C ATOM 494 CD ARG A 29 11.699 5.081 4.735 1.00 0.00 C ATOM 495 NE ARG A 29 11.360 6.305 5.524 1.00 0.00 N ATOM 496 CZ ARG A 29 11.317 6.260 6.832 1.00 0.00 C ATOM 497 NH1 ARG A 29 10.371 5.578 7.427 1.00 0.00 N ATOM 498 NH2 ARG A 29 12.216 6.894 7.540 1.00 0.00 N ATOM 0 H ARG A 29 14.629 3.006 1.683 1.00 0.00 H new ATOM 0 HA ARG A 29 15.596 4.869 3.855 1.00 0.00 H new ATOM 0 HB2 ARG A 29 13.085 3.419 3.208 1.00 0.00 H new ATOM 0 HB3 ARG A 29 13.661 3.041 4.819 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.714 5.401 5.450 1.00 0.00 H new ATOM 0 HG3 ARG A 29 13.458 5.914 3.794 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.167 5.068 3.784 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.413 4.177 5.272 1.00 0.00 H new ATOM 0 HE ARG A 29 11.161 7.181 5.040 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.672 5.085 6.872 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.333 5.540 8.446 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.952 7.424 7.073 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.181 6.858 8.559 1.00 0.00 H new ATOM 512 N GLU A 30 15.980 1.598 3.635 1.00 0.00 N ATOM 513 CA GLU A 30 16.825 0.472 4.169 1.00 0.00 C ATOM 514 C GLU A 30 18.318 0.846 4.221 1.00 0.00 C ATOM 515 O GLU A 30 19.029 0.399 5.104 1.00 0.00 O ATOM 516 CB GLU A 30 16.582 -0.755 3.274 1.00 0.00 C ATOM 517 CG GLU A 30 16.749 -0.441 1.779 1.00 0.00 C ATOM 518 CD GLU A 30 17.616 -1.511 1.112 1.00 0.00 C ATOM 519 OE1 GLU A 30 17.056 -2.501 0.674 1.00 0.00 O ATOM 520 OE2 GLU A 30 18.820 -1.322 1.054 1.00 0.00 O ATOM 0 H GLU A 30 15.357 1.331 2.873 1.00 0.00 H new ATOM 0 HA GLU A 30 16.540 0.252 5.198 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.276 -1.547 3.554 1.00 0.00 H new ATOM 0 HB3 GLU A 30 15.576 -1.135 3.451 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.772 -0.400 1.297 1.00 0.00 H new ATOM 0 HG3 GLU A 30 17.208 0.540 1.654 1.00 0.00 H new ATOM 527 N ASN A 31 18.780 1.665 3.300 1.00 0.00 N ATOM 528 CA ASN A 31 20.213 2.099 3.278 1.00 0.00 C ATOM 529 C ASN A 31 20.346 3.533 3.836 1.00 0.00 C ATOM 530 O ASN A 31 21.247 4.264 3.464 1.00 0.00 O ATOM 531 CB ASN A 31 20.608 2.022 1.796 1.00 0.00 C ATOM 532 CG ASN A 31 22.132 2.075 1.640 1.00 0.00 C ATOM 533 OD1 ASN A 31 22.842 1.257 2.194 1.00 0.00 O ATOM 534 ND2 ASN A 31 22.682 3.006 0.906 1.00 0.00 N ATOM 0 H ASN A 31 18.210 2.056 2.550 1.00 0.00 H new ATOM 0 HA ASN A 31 20.860 1.479 3.899 1.00 0.00 H new ATOM 0 HB2 ASN A 31 20.224 1.100 1.359 1.00 0.00 H new ATOM 0 HB3 ASN A 31 20.152 2.847 1.249 1.00 0.00 H new ATOM 0 HD21 ASN A 31 23.696 3.041 0.803 1.00 0.00 H new ATOM 0 HD22 ASN A 31 22.097 3.697 0.437 1.00 0.00 H new ATOM 541 N ALA A 32 19.461 3.940 4.723 1.00 0.00 N ATOM 542 CA ALA A 32 19.497 5.312 5.324 1.00 0.00 C ATOM 543 C ALA A 32 19.099 5.263 6.810 1.00 0.00 C ATOM 544 O ALA A 32 18.839 4.205 7.354 1.00 0.00 O ATOM 545 CB ALA A 32 18.473 6.118 4.518 1.00 0.00 C ATOM 0 H ALA A 32 18.695 3.358 5.062 1.00 0.00 H new ATOM 0 HA ALA A 32 20.493 5.753 5.284 1.00 0.00 H new ATOM 0 HB1 ALA A 32 18.436 7.140 4.895 1.00 0.00 H new ATOM 0 HB2 ALA A 32 18.764 6.129 3.468 1.00 0.00 H new ATOM 0 HB3 ALA A 32 17.489 5.659 4.617 1.00 0.00 H new ATOM 551 N LYS A 33 19.052 6.403 7.464 1.00 0.00 N ATOM 552 CA LYS A 33 18.670 6.454 8.911 1.00 0.00 C ATOM 553 C LYS A 33 17.318 7.165 9.058 1.00 0.00 C ATOM 554 O LYS A 33 16.385 6.590 9.586 1.00 0.00 O ATOM 555 CB LYS A 33 19.800 7.211 9.624 1.00 0.00 C ATOM 556 CG LYS A 33 21.021 6.294 9.778 1.00 0.00 C ATOM 557 CD LYS A 33 21.952 6.841 10.865 1.00 0.00 C ATOM 558 CE LYS A 33 23.172 5.924 11.015 1.00 0.00 C ATOM 559 NZ LYS A 33 24.112 6.633 11.932 1.00 0.00 N ATOM 0 H LYS A 33 19.265 7.310 7.049 1.00 0.00 H new ATOM 0 HA LYS A 33 18.552 5.462 9.348 1.00 0.00 H new ATOM 0 HB2 LYS A 33 20.071 8.100 9.055 1.00 0.00 H new ATOM 0 HB3 LYS A 33 19.462 7.550 10.603 1.00 0.00 H new ATOM 0 HG2 LYS A 33 20.699 5.286 10.037 1.00 0.00 H new ATOM 0 HG3 LYS A 33 21.556 6.224 8.831 1.00 0.00 H new ATOM 0 HD2 LYS A 33 22.274 7.850 10.607 1.00 0.00 H new ATOM 0 HD3 LYS A 33 21.418 6.909 11.813 1.00 0.00 H new ATOM 0 HE2 LYS A 33 22.884 4.956 11.425 1.00 0.00 H new ATOM 0 HE3 LYS A 33 23.639 5.735 10.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 24.964 6.054 12.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 24.380 7.548 11.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.648 6.793 12.849 1.00 0.00 H new ATOM 573 N GLU A 34 17.212 8.390 8.592 1.00 0.00 N ATOM 574 CA GLU A 34 15.929 9.153 8.686 1.00 0.00 C ATOM 575 C GLU A 34 15.316 9.285 7.283 1.00 0.00 C ATOM 576 O GLU A 34 15.934 9.891 6.420 1.00 0.00 O ATOM 577 CB GLU A 34 16.286 10.525 9.279 1.00 0.00 C ATOM 578 CG GLU A 34 16.587 10.400 10.778 1.00 0.00 C ATOM 579 CD GLU A 34 17.212 11.697 11.306 1.00 0.00 C ATOM 580 OE1 GLU A 34 18.330 11.998 10.917 1.00 0.00 O ATOM 581 OE2 GLU A 34 16.566 12.370 12.094 1.00 0.00 O ATOM 582 OXT GLU A 34 14.230 8.768 7.088 1.00 0.00 O ATOM 0 H GLU A 34 17.974 8.898 8.144 1.00 0.00 H new ATOM 0 HA GLU A 34 15.192 8.653 9.315 1.00 0.00 H new ATOM 0 HB2 GLU A 34 17.152 10.937 8.761 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.461 11.220 9.124 1.00 0.00 H new ATOM 0 HG2 GLU A 34 15.669 10.183 11.323 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.266 9.565 10.951 1.00 0.00 H new TER 589 GLU A 34