USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 424 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 19:sc= 1.19 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -1.33! K(o=-1.3!,f=-0.014) USER MOD Single : A 20 HIS : no HE2:sc= 1.22 K(o=1.2,f=-4.8!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 78:sc= 0.106 USER MOD Single : A 33 HIS : no HE2:sc= 1.06 K(o=1.1,f=-5.5!) USER MOD Single : A 35 HIS : no HD1:sc= -2.11! K(o=-2.1!,f=0.52) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -124:sc= 1.17 (180deg=-0.11) USER MOD Single : A 48 LYS NZ :NH3+ -134:sc= 1.19 (180deg=0.315) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.233 -18.756 14.415 1.00 0.00 N ATOM 2 CA GLY A 1 -4.547 -17.324 14.265 1.00 0.00 C ATOM 3 C GLY A 1 -4.291 -16.833 12.858 1.00 0.00 C ATOM 4 O GLY A 1 -3.167 -16.920 12.356 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.422 -19.052 15.394 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.825 -19.311 13.765 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.230 -18.917 14.193 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.592 -17.153 14.524 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.945 -16.745 14.966 1.00 0.00 H new ATOM 10 N SER A 2 -5.328 -16.318 12.217 1.00 0.00 N ATOM 11 CA SER A 2 -5.220 -15.801 10.864 1.00 0.00 C ATOM 12 C SER A 2 -4.512 -14.445 10.872 1.00 0.00 C ATOM 13 O SER A 2 -3.897 -14.044 9.879 1.00 0.00 O ATOM 14 CB SER A 2 -6.617 -15.672 10.243 1.00 0.00 C ATOM 15 OG SER A 2 -6.552 -15.274 8.883 1.00 0.00 O ATOM 0 H SER A 2 -6.263 -16.247 12.618 1.00 0.00 H new ATOM 0 HA SER A 2 -4.631 -16.494 10.264 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.138 -16.626 10.318 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.200 -14.945 10.808 1.00 0.00 H new ATOM 0 HG SER A 2 -7.459 -15.203 8.519 1.00 0.00 H new ATOM 21 N VAL A 3 -4.598 -13.750 12.005 1.00 0.00 N ATOM 22 CA VAL A 3 -3.965 -12.442 12.166 1.00 0.00 C ATOM 23 C VAL A 3 -2.473 -12.477 11.824 1.00 0.00 C ATOM 24 O VAL A 3 -1.960 -11.556 11.193 1.00 0.00 O ATOM 25 CB VAL A 3 -4.166 -11.859 13.589 1.00 0.00 C ATOM 26 CG1 VAL A 3 -5.613 -11.444 13.793 1.00 0.00 C ATOM 27 CG2 VAL A 3 -3.744 -12.861 14.657 1.00 0.00 C ATOM 0 H VAL A 3 -5.103 -14.074 12.830 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.466 -11.784 11.456 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.533 -10.977 13.685 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.737 -11.037 14.797 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.881 -10.685 13.058 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.261 -12.312 13.671 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.896 -12.426 15.645 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.344 -13.766 14.564 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.690 -13.109 14.528 1.00 0.00 H new ATOM 37 N GLU A 4 -1.783 -13.545 12.225 1.00 0.00 N ATOM 38 CA GLU A 4 -0.348 -13.696 11.953 1.00 0.00 C ATOM 39 C GLU A 4 -0.048 -13.823 10.456 1.00 0.00 C ATOM 40 O GLU A 4 1.111 -13.815 10.049 1.00 0.00 O ATOM 41 CB GLU A 4 0.197 -14.913 12.699 1.00 0.00 C ATOM 42 CG GLU A 4 -0.144 -14.928 14.183 1.00 0.00 C ATOM 43 CD GLU A 4 0.374 -13.710 14.921 1.00 0.00 C ATOM 44 OE1 GLU A 4 1.396 -13.827 15.635 1.00 0.00 O ATOM 45 OE2 GLU A 4 -0.231 -12.631 14.795 1.00 0.00 O ATOM 0 H GLU A 4 -2.194 -14.323 12.741 1.00 0.00 H new ATOM 0 HA GLU A 4 0.147 -12.791 12.307 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.197 -15.818 12.236 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.281 -14.942 12.584 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.226 -14.985 14.301 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.274 -15.826 14.637 1.00 0.00 H new ATOM 52 N LYS A 5 -1.083 -13.952 9.651 1.00 0.00 N ATOM 53 CA LYS A 5 -0.915 -14.042 8.214 1.00 0.00 C ATOM 54 C LYS A 5 -1.446 -12.775 7.553 1.00 0.00 C ATOM 55 O LYS A 5 -0.829 -12.229 6.635 1.00 0.00 O ATOM 56 CB LYS A 5 -1.629 -15.281 7.663 1.00 0.00 C ATOM 57 CG LYS A 5 -1.435 -15.490 6.169 1.00 0.00 C ATOM 58 CD LYS A 5 -2.107 -16.763 5.696 1.00 0.00 C ATOM 59 CE LYS A 5 -1.947 -16.955 4.196 1.00 0.00 C ATOM 60 NZ LYS A 5 -2.581 -18.211 3.732 1.00 0.00 N ATOM 0 H LYS A 5 -2.051 -13.997 9.968 1.00 0.00 H new ATOM 0 HA LYS A 5 0.147 -14.139 7.988 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.268 -16.162 8.193 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.695 -15.197 7.873 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.843 -14.638 5.625 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.370 -15.533 5.942 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.680 -17.618 6.221 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.167 -16.731 5.949 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.391 -16.109 3.672 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.887 -16.967 3.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.451 -18.307 2.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.141 -19.021 4.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.597 -18.189 3.952 1.00 0.00 H new ATOM 74 N LEU A 6 -2.596 -12.314 8.031 1.00 0.00 N ATOM 75 CA LEU A 6 -3.227 -11.092 7.526 1.00 0.00 C ATOM 76 C LEU A 6 -2.384 -9.856 7.836 1.00 0.00 C ATOM 77 O LEU A 6 -2.440 -8.862 7.116 1.00 0.00 O ATOM 78 CB LEU A 6 -4.623 -10.926 8.137 1.00 0.00 C ATOM 79 CG LEU A 6 -5.616 -12.052 7.845 1.00 0.00 C ATOM 80 CD1 LEU A 6 -6.886 -11.857 8.650 1.00 0.00 C ATOM 81 CD2 LEU A 6 -5.937 -12.108 6.361 1.00 0.00 C ATOM 0 H LEU A 6 -3.119 -12.772 8.777 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.309 -11.187 6.443 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.517 -10.832 9.218 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.048 -9.990 7.776 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.159 -12.998 8.136 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -7.583 -12.666 8.432 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.647 -11.861 9.713 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.342 -10.903 8.384 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.645 -12.915 6.172 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.375 -11.160 6.047 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -5.022 -12.289 5.797 1.00 0.00 H new ATOM 93 N THR A 7 -1.587 -9.937 8.890 1.00 0.00 N ATOM 94 CA THR A 7 -0.771 -8.853 9.311 1.00 0.00 C ATOM 95 C THR A 7 0.536 -9.422 9.894 1.00 0.00 C ATOM 96 O THR A 7 0.554 -9.923 11.020 1.00 0.00 O ATOM 97 CB THR A 7 -1.485 -8.022 10.417 1.00 0.00 C ATOM 98 OG1 THR A 7 -2.086 -8.896 11.385 1.00 0.00 O ATOM 99 CG2 THR A 7 -2.552 -7.112 9.823 1.00 0.00 C ATOM 0 H THR A 7 -1.501 -10.772 9.470 1.00 0.00 H new ATOM 0 HA THR A 7 -0.572 -8.207 8.456 1.00 0.00 H new ATOM 0 HB THR A 7 -0.732 -7.401 10.903 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.675 -9.784 11.324 1.00 0.00 H new ATOM 0 HG21 THR A 7 -3.032 -6.545 10.621 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.090 -6.423 9.116 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.299 -7.715 9.307 1.00 0.00 H new ATOM 107 N ALA A 8 1.600 -9.372 9.122 1.00 0.00 N ATOM 108 CA ALA A 8 2.918 -9.807 9.572 1.00 0.00 C ATOM 109 C ALA A 8 3.995 -9.197 8.694 1.00 0.00 C ATOM 110 O ALA A 8 5.032 -8.741 9.184 1.00 0.00 O ATOM 111 CB ALA A 8 3.020 -11.327 9.544 1.00 0.00 C ATOM 0 H ALA A 8 1.582 -9.029 8.162 1.00 0.00 H new ATOM 0 HA ALA A 8 3.062 -9.470 10.599 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.010 -11.632 9.883 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.264 -11.755 10.202 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.859 -11.684 8.527 1.00 0.00 H new ATOM 117 N ASP A 9 3.732 -9.177 7.388 1.00 0.00 N ATOM 118 CA ASP A 9 4.664 -8.617 6.415 1.00 0.00 C ATOM 119 C ASP A 9 4.898 -7.147 6.712 1.00 0.00 C ATOM 120 O ASP A 9 6.017 -6.655 6.631 1.00 0.00 O ATOM 121 CB ASP A 9 4.125 -8.778 4.990 1.00 0.00 C ATOM 122 CG ASP A 9 3.775 -10.212 4.653 1.00 0.00 C ATOM 123 OD1 ASP A 9 4.652 -10.949 4.159 1.00 0.00 O ATOM 124 OD2 ASP A 9 2.609 -10.610 4.882 1.00 0.00 O ATOM 0 H ASP A 9 2.874 -9.546 6.979 1.00 0.00 H new ATOM 0 HA ASP A 9 5.607 -9.158 6.491 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.239 -8.155 4.869 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.870 -8.415 4.282 1.00 0.00 H new ATOM 129 N ALA A 10 3.823 -6.458 7.068 1.00 0.00 N ATOM 130 CA ALA A 10 3.885 -5.031 7.416 1.00 0.00 C ATOM 131 C ALA A 10 4.895 -4.756 8.531 1.00 0.00 C ATOM 132 O ALA A 10 5.621 -3.769 8.486 1.00 0.00 O ATOM 133 CB ALA A 10 2.505 -4.506 7.822 1.00 0.00 C ATOM 0 H ALA A 10 2.888 -6.861 7.126 1.00 0.00 H new ATOM 0 HA ALA A 10 4.219 -4.503 6.523 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.578 -3.448 8.075 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.809 -4.634 6.993 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.145 -5.062 8.688 1.00 0.00 H new ATOM 139 N GLU A 11 4.969 -5.652 9.509 1.00 0.00 N ATOM 140 CA GLU A 11 5.862 -5.456 10.650 1.00 0.00 C ATOM 141 C GLU A 11 7.307 -5.714 10.261 1.00 0.00 C ATOM 142 O GLU A 11 8.198 -4.927 10.584 1.00 0.00 O ATOM 143 CB GLU A 11 5.455 -6.343 11.830 1.00 0.00 C ATOM 144 CG GLU A 11 4.111 -5.970 12.430 1.00 0.00 C ATOM 145 CD GLU A 11 4.088 -4.546 12.944 1.00 0.00 C ATOM 146 OE1 GLU A 11 4.531 -4.318 14.090 1.00 0.00 O ATOM 147 OE2 GLU A 11 3.634 -3.646 12.209 1.00 0.00 O ATOM 0 H GLU A 11 4.427 -6.515 9.537 1.00 0.00 H new ATOM 0 HA GLU A 11 5.774 -4.416 10.963 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.421 -7.381 11.500 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.220 -6.279 12.604 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.332 -6.095 11.678 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.878 -6.653 13.247 1.00 0.00 H new ATOM 154 N LEU A 12 7.536 -6.810 9.549 1.00 0.00 N ATOM 155 CA LEU A 12 8.883 -7.136 9.085 1.00 0.00 C ATOM 156 C LEU A 12 9.390 -6.074 8.105 1.00 0.00 C ATOM 157 O LEU A 12 10.597 -5.848 7.988 1.00 0.00 O ATOM 158 CB LEU A 12 8.957 -8.569 8.480 1.00 0.00 C ATOM 159 CG LEU A 12 8.095 -8.879 7.235 1.00 0.00 C ATOM 160 CD1 LEU A 12 8.747 -8.374 5.959 1.00 0.00 C ATOM 161 CD2 LEU A 12 7.824 -10.372 7.141 1.00 0.00 C ATOM 0 H LEU A 12 6.817 -7.483 9.281 1.00 0.00 H new ATOM 0 HA LEU A 12 9.545 -7.132 9.951 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.997 -8.769 8.224 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.680 -9.276 9.262 1.00 0.00 H new ATOM 0 HG LEU A 12 7.147 -8.353 7.348 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.110 -8.611 5.107 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.882 -7.294 6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.717 -8.854 5.832 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.216 -10.577 6.260 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.769 -10.909 7.062 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.292 -10.702 8.033 1.00 0.00 H new ATOM 173 N GLN A 13 8.455 -5.417 7.422 1.00 0.00 N ATOM 174 CA GLN A 13 8.792 -4.340 6.492 1.00 0.00 C ATOM 175 C GLN A 13 9.226 -3.102 7.273 1.00 0.00 C ATOM 176 O GLN A 13 10.177 -2.415 6.896 1.00 0.00 O ATOM 177 CB GLN A 13 7.598 -4.001 5.582 1.00 0.00 C ATOM 178 CG GLN A 13 7.907 -2.965 4.513 1.00 0.00 C ATOM 179 CD GLN A 13 6.693 -2.616 3.676 1.00 0.00 C ATOM 180 OE1 GLN A 13 5.556 -2.661 4.154 1.00 0.00 O ATOM 181 NE2 GLN A 13 6.920 -2.272 2.422 1.00 0.00 N ATOM 0 H GLN A 13 7.456 -5.612 7.495 1.00 0.00 H new ATOM 0 HA GLN A 13 9.614 -4.675 5.859 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.253 -4.915 5.098 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.777 -3.637 6.199 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.290 -2.061 4.987 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.696 -3.342 3.863 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.875 -2.247 2.065 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.140 -2.031 1.810 1.00 0.00 H new ATOM 190 N ARG A 14 8.534 -2.841 8.380 1.00 0.00 N ATOM 191 CA ARG A 14 8.856 -1.704 9.241 1.00 0.00 C ATOM 192 C ARG A 14 10.230 -1.893 9.856 1.00 0.00 C ATOM 193 O ARG A 14 11.051 -0.973 9.866 1.00 0.00 O ATOM 194 CB ARG A 14 7.808 -1.541 10.349 1.00 0.00 C ATOM 195 CG ARG A 14 6.427 -1.162 9.845 1.00 0.00 C ATOM 196 CD ARG A 14 5.394 -1.237 10.957 1.00 0.00 C ATOM 197 NE ARG A 14 5.725 -0.362 12.083 1.00 0.00 N ATOM 198 CZ ARG A 14 5.114 -0.400 13.267 1.00 0.00 C ATOM 199 NH1 ARG A 14 4.174 -1.306 13.504 1.00 0.00 N ATOM 200 NH2 ARG A 14 5.464 0.452 14.225 1.00 0.00 N ATOM 0 H ARG A 14 7.746 -3.402 8.703 1.00 0.00 H new ATOM 0 HA ARG A 14 8.854 -0.801 8.630 1.00 0.00 H new ATOM 0 HB2 ARG A 14 7.736 -2.475 10.906 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.150 -0.778 11.048 1.00 0.00 H new ATOM 0 HG2 ARG A 14 6.451 -0.152 9.436 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.139 -1.828 9.032 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.417 -0.962 10.561 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.317 -2.266 11.309 1.00 0.00 H new ATOM 0 HE ARG A 14 6.471 0.321 11.953 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.917 -1.976 12.779 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.708 -1.332 14.411 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.201 1.136 14.055 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.996 0.422 15.131 1.00 0.00 H new ATOM 214 N LEU A 15 10.484 -3.104 10.344 1.00 0.00 N ATOM 215 CA LEU A 15 11.763 -3.445 10.954 1.00 0.00 C ATOM 216 C LEU A 15 12.888 -3.346 9.930 1.00 0.00 C ATOM 217 O LEU A 15 14.030 -3.041 10.270 1.00 0.00 O ATOM 218 CB LEU A 15 11.710 -4.861 11.543 1.00 0.00 C ATOM 219 CG LEU A 15 12.991 -5.354 12.221 1.00 0.00 C ATOM 220 CD1 LEU A 15 13.327 -4.496 13.433 1.00 0.00 C ATOM 221 CD2 LEU A 15 12.854 -6.816 12.620 1.00 0.00 C ATOM 0 H LEU A 15 9.813 -3.872 10.328 1.00 0.00 H new ATOM 0 HA LEU A 15 11.961 -2.735 11.757 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.899 -4.900 12.270 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.455 -5.556 10.743 1.00 0.00 H new ATOM 0 HG LEU A 15 13.810 -5.267 11.507 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.241 -4.865 13.898 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.472 -3.463 13.118 1.00 0.00 H new ATOM 0 HD13 LEU A 15 12.509 -4.545 14.151 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.774 -7.150 13.100 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.021 -6.927 13.314 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.669 -7.420 11.732 1.00 0.00 H new ATOM 233 N LYS A 16 12.552 -3.594 8.672 1.00 0.00 N ATOM 234 CA LYS A 16 13.531 -3.526 7.592 1.00 0.00 C ATOM 235 C LYS A 16 13.964 -2.078 7.371 1.00 0.00 C ATOM 236 O LYS A 16 15.143 -1.792 7.152 1.00 0.00 O ATOM 237 CB LYS A 16 12.963 -4.131 6.298 1.00 0.00 C ATOM 238 CG LYS A 16 13.978 -4.268 5.181 1.00 0.00 C ATOM 239 CD LYS A 16 13.391 -5.011 3.999 1.00 0.00 C ATOM 240 CE LYS A 16 14.422 -5.220 2.907 1.00 0.00 C ATOM 241 NZ LYS A 16 13.874 -6.005 1.777 1.00 0.00 N ATOM 0 H LYS A 16 11.610 -3.844 8.372 1.00 0.00 H new ATOM 0 HA LYS A 16 14.405 -4.112 7.876 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.549 -5.114 6.521 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.138 -3.509 5.950 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.311 -3.279 4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.857 -4.798 5.547 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.008 -5.977 4.329 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.545 -4.452 3.600 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.768 -4.252 2.544 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.290 -5.734 3.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.608 -6.127 1.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.567 -6.938 2.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.061 -5.502 1.367 1.00 0.00 H new ATOM 255 N ASN A 17 13.004 -1.166 7.433 1.00 0.00 N ATOM 256 CA ASN A 17 13.305 0.257 7.310 1.00 0.00 C ATOM 257 C ASN A 17 14.118 0.724 8.503 1.00 0.00 C ATOM 258 O ASN A 17 15.122 1.415 8.346 1.00 0.00 O ATOM 259 CB ASN A 17 12.023 1.099 7.186 1.00 0.00 C ATOM 260 CG ASN A 17 11.273 0.864 5.883 1.00 0.00 C ATOM 261 OD1 ASN A 17 10.049 0.977 5.831 1.00 0.00 O ATOM 262 ND2 ASN A 17 11.997 0.543 4.821 1.00 0.00 N ATOM 0 H ASN A 17 12.016 -1.382 7.567 1.00 0.00 H new ATOM 0 HA ASN A 17 13.886 0.395 6.398 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.364 0.870 8.023 1.00 0.00 H new ATOM 0 HB3 ASN A 17 12.281 2.155 7.263 1.00 0.00 H new ATOM 0 HD21 ASN A 17 11.541 0.381 3.923 1.00 0.00 H new ATOM 0 HD22 ASN A 17 13.010 0.458 4.901 1.00 0.00 H new ATOM 269 N GLU A 18 13.695 0.315 9.696 1.00 0.00 N ATOM 270 CA GLU A 18 14.388 0.676 10.930 1.00 0.00 C ATOM 271 C GLU A 18 15.817 0.151 10.932 1.00 0.00 C ATOM 272 O GLU A 18 16.732 0.814 11.424 1.00 0.00 O ATOM 273 CB GLU A 18 13.644 0.126 12.136 1.00 0.00 C ATOM 274 CG GLU A 18 12.259 0.700 12.318 1.00 0.00 C ATOM 275 CD GLU A 18 11.524 0.048 13.456 1.00 0.00 C ATOM 276 OE1 GLU A 18 10.647 -0.796 13.197 1.00 0.00 O ATOM 277 OE2 GLU A 18 11.826 0.365 14.624 1.00 0.00 O ATOM 0 H GLU A 18 12.871 -0.270 9.835 1.00 0.00 H new ATOM 0 HA GLU A 18 14.417 1.764 10.987 1.00 0.00 H new ATOM 0 HB2 GLU A 18 13.567 -0.957 12.040 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.230 0.326 13.033 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.332 1.772 12.501 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.689 0.571 11.398 1.00 0.00 H new ATOM 284 N ARG A 19 16.003 -1.042 10.383 1.00 0.00 N ATOM 285 CA ARG A 19 17.328 -1.660 10.310 1.00 0.00 C ATOM 286 C ARG A 19 18.293 -0.763 9.541 1.00 0.00 C ATOM 287 O ARG A 19 19.395 -0.471 10.012 1.00 0.00 O ATOM 288 CB ARG A 19 17.259 -3.047 9.644 1.00 0.00 C ATOM 289 CG ARG A 19 18.599 -3.766 9.573 1.00 0.00 C ATOM 290 CD ARG A 19 19.117 -4.112 10.958 1.00 0.00 C ATOM 291 NE ARG A 19 20.433 -4.744 10.905 1.00 0.00 N ATOM 292 CZ ARG A 19 20.981 -5.431 11.911 1.00 0.00 C ATOM 293 NH1 ARG A 19 20.298 -5.632 13.040 1.00 0.00 N ATOM 294 NH2 ARG A 19 22.202 -5.928 11.783 1.00 0.00 N ATOM 0 H ARG A 19 15.254 -1.605 9.980 1.00 0.00 H new ATOM 0 HA ARG A 19 17.693 -1.786 11.329 1.00 0.00 H new ATOM 0 HB2 ARG A 19 16.553 -3.669 10.195 1.00 0.00 H new ATOM 0 HB3 ARG A 19 16.864 -2.935 8.634 1.00 0.00 H new ATOM 0 HG2 ARG A 19 18.494 -4.677 8.984 1.00 0.00 H new ATOM 0 HG3 ARG A 19 19.325 -3.136 9.058 1.00 0.00 H new ATOM 0 HD2 ARG A 19 19.173 -3.206 11.561 1.00 0.00 H new ATOM 0 HD3 ARG A 19 18.413 -4.781 11.452 1.00 0.00 H new ATOM 0 HE ARG A 19 20.969 -4.655 10.042 1.00 0.00 H new ATOM 0 HH11 ARG A 19 19.353 -5.260 13.137 1.00 0.00 H new ATOM 0 HH12 ARG A 19 20.721 -6.157 13.805 1.00 0.00 H new ATOM 0 HH21 ARG A 19 22.722 -5.786 10.917 1.00 0.00 H new ATOM 0 HH22 ARG A 19 22.622 -6.453 12.550 1.00 0.00 H new ATOM 308 N HIS A 20 17.865 -0.313 8.372 1.00 0.00 N ATOM 309 CA HIS A 20 18.704 0.544 7.537 1.00 0.00 C ATOM 310 C HIS A 20 18.804 1.938 8.133 1.00 0.00 C ATOM 311 O HIS A 20 19.841 2.580 8.042 1.00 0.00 O ATOM 312 CB HIS A 20 18.168 0.638 6.097 1.00 0.00 C ATOM 313 CG HIS A 20 19.164 1.199 5.118 1.00 0.00 C ATOM 314 ND1 HIS A 20 19.495 2.541 5.044 1.00 0.00 N ATOM 315 CD2 HIS A 20 19.913 0.583 4.177 1.00 0.00 C ATOM 316 CE1 HIS A 20 20.397 2.720 4.103 1.00 0.00 C ATOM 317 NE2 HIS A 20 20.671 1.549 3.558 1.00 0.00 N ATOM 0 H HIS A 20 16.948 -0.523 7.978 1.00 0.00 H new ATOM 0 HA HIS A 20 19.695 0.090 7.504 1.00 0.00 H new ATOM 0 HB2 HIS A 20 17.865 -0.355 5.765 1.00 0.00 H new ATOM 0 HB3 HIS A 20 17.274 1.262 6.091 1.00 0.00 H new ATOM 0 HD1 HIS A 20 19.100 3.278 5.629 1.00 0.00 H new ATOM 0 HD2 HIS A 20 19.916 -0.473 3.952 1.00 0.00 H new ATOM 0 HE1 HIS A 20 20.839 3.665 3.824 1.00 0.00 H new ATOM 325 N GLU A 21 17.730 2.376 8.776 1.00 0.00 N ATOM 326 CA GLU A 21 17.668 3.724 9.346 1.00 0.00 C ATOM 327 C GLU A 21 18.664 3.873 10.477 1.00 0.00 C ATOM 328 O GLU A 21 19.372 4.880 10.572 1.00 0.00 O ATOM 329 CB GLU A 21 16.251 4.055 9.841 1.00 0.00 C ATOM 330 CG GLU A 21 16.128 5.435 10.464 1.00 0.00 C ATOM 331 CD GLU A 21 14.697 5.817 10.739 1.00 0.00 C ATOM 332 OE1 GLU A 21 14.145 5.387 11.771 1.00 0.00 O ATOM 333 OE2 GLU A 21 14.108 6.550 9.916 1.00 0.00 O ATOM 0 H GLU A 21 16.887 1.820 8.918 1.00 0.00 H new ATOM 0 HA GLU A 21 17.926 4.429 8.556 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.557 3.981 9.004 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.948 3.307 10.574 1.00 0.00 H new ATOM 0 HG2 GLU A 21 16.693 5.462 11.396 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.576 6.172 9.798 1.00 0.00 H new ATOM 340 N GLU A 22 18.728 2.872 11.328 1.00 0.00 N ATOM 341 CA GLU A 22 19.650 2.903 12.442 1.00 0.00 C ATOM 342 C GLU A 22 21.092 2.848 11.947 1.00 0.00 C ATOM 343 O GLU A 22 21.900 3.714 12.284 1.00 0.00 O ATOM 344 CB GLU A 22 19.379 1.762 13.436 1.00 0.00 C ATOM 345 CG GLU A 22 20.306 1.779 14.639 1.00 0.00 C ATOM 346 CD GLU A 22 20.118 0.586 15.535 1.00 0.00 C ATOM 347 OE1 GLU A 22 20.681 -0.483 15.230 1.00 0.00 O ATOM 348 OE2 GLU A 22 19.417 0.707 16.557 1.00 0.00 O ATOM 0 H GLU A 22 18.155 2.030 11.270 1.00 0.00 H new ATOM 0 HA GLU A 22 19.495 3.844 12.969 1.00 0.00 H new ATOM 0 HB2 GLU A 22 18.347 1.827 13.781 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.483 0.808 12.920 1.00 0.00 H new ATOM 0 HG2 GLU A 22 21.340 1.810 14.295 1.00 0.00 H new ATOM 0 HG3 GLU A 22 20.133 2.690 15.213 1.00 0.00 H new ATOM 355 N ALA A 23 21.407 1.839 11.129 1.00 0.00 N ATOM 356 CA ALA A 23 22.773 1.646 10.621 1.00 0.00 C ATOM 357 C ALA A 23 23.304 2.849 9.839 1.00 0.00 C ATOM 358 O ALA A 23 24.502 3.150 9.907 1.00 0.00 O ATOM 359 CB ALA A 23 22.863 0.383 9.767 1.00 0.00 C ATOM 0 H ALA A 23 20.737 1.143 10.803 1.00 0.00 H new ATOM 0 HA ALA A 23 23.408 1.536 11.500 1.00 0.00 H new ATOM 0 HB1 ALA A 23 23.883 0.262 9.403 1.00 0.00 H new ATOM 0 HB2 ALA A 23 22.587 -0.483 10.368 1.00 0.00 H new ATOM 0 HB3 ALA A 23 22.183 0.468 8.919 1.00 0.00 H new ATOM 365 N GLU A 24 22.430 3.552 9.118 1.00 0.00 N ATOM 366 CA GLU A 24 22.884 4.684 8.317 1.00 0.00 C ATOM 367 C GLU A 24 23.186 5.876 9.215 1.00 0.00 C ATOM 368 O GLU A 24 24.148 6.610 8.988 1.00 0.00 O ATOM 369 CB GLU A 24 21.874 5.051 7.211 1.00 0.00 C ATOM 370 CG GLU A 24 20.515 5.517 7.710 1.00 0.00 C ATOM 371 CD GLU A 24 19.544 5.788 6.580 1.00 0.00 C ATOM 372 OE1 GLU A 24 18.784 4.867 6.199 1.00 0.00 O ATOM 373 OE2 GLU A 24 19.538 6.922 6.055 1.00 0.00 O ATOM 0 H GLU A 24 21.429 3.363 9.073 1.00 0.00 H new ATOM 0 HA GLU A 24 23.804 4.390 7.812 1.00 0.00 H new ATOM 0 HB2 GLU A 24 22.306 5.837 6.592 1.00 0.00 H new ATOM 0 HB3 GLU A 24 21.730 4.182 6.569 1.00 0.00 H new ATOM 0 HG2 GLU A 24 20.095 4.759 8.372 1.00 0.00 H new ATOM 0 HG3 GLU A 24 20.640 6.423 8.302 1.00 0.00 H new ATOM 380 N LEU A 25 22.364 6.055 10.244 1.00 0.00 N ATOM 381 CA LEU A 25 22.579 7.108 11.220 1.00 0.00 C ATOM 382 C LEU A 25 23.867 6.838 11.994 1.00 0.00 C ATOM 383 O LEU A 25 24.697 7.723 12.174 1.00 0.00 O ATOM 384 CB LEU A 25 21.390 7.184 12.182 1.00 0.00 C ATOM 385 CG LEU A 25 21.437 8.307 13.216 1.00 0.00 C ATOM 386 CD1 LEU A 25 21.377 9.665 12.534 1.00 0.00 C ATOM 387 CD2 LEU A 25 20.304 8.156 14.216 1.00 0.00 C ATOM 0 H LEU A 25 21.540 5.480 10.421 1.00 0.00 H new ATOM 0 HA LEU A 25 22.670 8.063 10.702 1.00 0.00 H new ATOM 0 HB2 LEU A 25 20.479 7.296 11.594 1.00 0.00 H new ATOM 0 HB3 LEU A 25 21.314 6.234 12.710 1.00 0.00 H new ATOM 0 HG LEU A 25 22.381 8.240 13.756 1.00 0.00 H new ATOM 0 HD11 LEU A 25 21.412 10.452 13.287 1.00 0.00 H new ATOM 0 HD12 LEU A 25 22.226 9.771 11.859 1.00 0.00 H new ATOM 0 HD13 LEU A 25 20.450 9.746 11.966 1.00 0.00 H new ATOM 0 HD21 LEU A 25 20.352 8.964 14.946 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.349 8.196 13.692 1.00 0.00 H new ATOM 0 HD23 LEU A 25 20.396 7.199 14.729 1.00 0.00 H new ATOM 399 N GLU A 26 24.001 5.603 12.458 1.00 0.00 N ATOM 400 CA GLU A 26 25.210 5.164 13.168 1.00 0.00 C ATOM 401 C GLU A 26 26.468 5.450 12.339 1.00 0.00 C ATOM 402 O GLU A 26 27.480 5.921 12.866 1.00 0.00 O ATOM 403 CB GLU A 26 25.145 3.676 13.536 1.00 0.00 C ATOM 404 CG GLU A 26 24.074 3.336 14.561 1.00 0.00 C ATOM 405 CD GLU A 26 24.258 1.961 15.157 1.00 0.00 C ATOM 406 OE1 GLU A 26 24.016 0.959 14.459 1.00 0.00 O ATOM 407 OE2 GLU A 26 24.639 1.878 16.342 1.00 0.00 O ATOM 0 H GLU A 26 23.288 4.880 12.358 1.00 0.00 H new ATOM 0 HA GLU A 26 25.263 5.736 14.094 1.00 0.00 H new ATOM 0 HB2 GLU A 26 24.963 3.096 12.631 1.00 0.00 H new ATOM 0 HB3 GLU A 26 26.115 3.366 13.924 1.00 0.00 H new ATOM 0 HG2 GLU A 26 24.090 4.079 15.358 1.00 0.00 H new ATOM 0 HG3 GLU A 26 23.093 3.396 14.090 1.00 0.00 H new ATOM 414 N ARG A 27 26.384 5.195 11.035 1.00 0.00 N ATOM 415 CA ARG A 27 27.508 5.444 10.118 1.00 0.00 C ATOM 416 C ARG A 27 27.761 6.948 9.985 1.00 0.00 C ATOM 417 O ARG A 27 28.884 7.385 9.729 1.00 0.00 O ATOM 418 CB ARG A 27 27.222 4.854 8.729 1.00 0.00 C ATOM 419 CG ARG A 27 28.402 4.934 7.771 1.00 0.00 C ATOM 420 CD ARG A 27 27.938 4.908 6.329 1.00 0.00 C ATOM 421 NE ARG A 27 27.201 6.128 5.981 1.00 0.00 N ATOM 422 CZ ARG A 27 26.145 6.176 5.169 1.00 0.00 C ATOM 423 NH1 ARG A 27 25.693 5.070 4.586 1.00 0.00 N ATOM 424 NH2 ARG A 27 25.548 7.332 4.936 1.00 0.00 N ATOM 0 H ARG A 27 25.551 4.816 10.584 1.00 0.00 H new ATOM 0 HA ARG A 27 28.392 4.960 10.533 1.00 0.00 H new ATOM 0 HB2 ARG A 27 26.928 3.810 8.842 1.00 0.00 H new ATOM 0 HB3 ARG A 27 26.374 5.379 8.290 1.00 0.00 H new ATOM 0 HG2 ARG A 27 28.965 5.848 7.958 1.00 0.00 H new ATOM 0 HG3 ARG A 27 29.079 4.100 7.953 1.00 0.00 H new ATOM 0 HD2 ARG A 27 28.800 4.801 5.670 1.00 0.00 H new ATOM 0 HD3 ARG A 27 27.302 4.038 6.166 1.00 0.00 H new ATOM 0 HE ARG A 27 27.521 7.005 6.391 1.00 0.00 H new ATOM 0 HH11 ARG A 27 26.155 4.177 4.759 1.00 0.00 H new ATOM 0 HH12 ARG A 27 24.884 5.114 3.966 1.00 0.00 H new ATOM 0 HH21 ARG A 27 25.896 8.184 5.377 1.00 0.00 H new ATOM 0 HH22 ARG A 27 24.740 7.373 4.315 1.00 0.00 H new ATOM 438 N LEU A 28 26.715 7.726 10.199 1.00 0.00 N ATOM 439 CA LEU A 28 26.789 9.179 10.076 1.00 0.00 C ATOM 440 C LEU A 28 27.422 9.769 11.331 1.00 0.00 C ATOM 441 O LEU A 28 28.110 10.794 11.280 1.00 0.00 O ATOM 442 CB LEU A 28 25.385 9.779 9.839 1.00 0.00 C ATOM 443 CG LEU A 28 25.320 11.297 9.658 1.00 0.00 C ATOM 444 CD1 LEU A 28 26.119 11.733 8.440 1.00 0.00 C ATOM 445 CD2 LEU A 28 23.875 11.752 9.540 1.00 0.00 C ATOM 0 H LEU A 28 25.794 7.376 10.462 1.00 0.00 H new ATOM 0 HA LEU A 28 27.410 9.430 9.216 1.00 0.00 H new ATOM 0 HB2 LEU A 28 24.957 9.310 8.953 1.00 0.00 H new ATOM 0 HB3 LEU A 28 24.750 9.507 10.682 1.00 0.00 H new ATOM 0 HG LEU A 28 25.763 11.766 10.537 1.00 0.00 H new ATOM 0 HD11 LEU A 28 26.057 12.816 8.333 1.00 0.00 H new ATOM 0 HD12 LEU A 28 27.161 11.440 8.565 1.00 0.00 H new ATOM 0 HD13 LEU A 28 25.712 11.256 7.548 1.00 0.00 H new ATOM 0 HD21 LEU A 28 23.844 12.834 9.412 1.00 0.00 H new ATOM 0 HD22 LEU A 28 23.411 11.271 8.679 1.00 0.00 H new ATOM 0 HD23 LEU A 28 23.332 11.478 10.445 1.00 0.00 H new ATOM 457 N LYS A 29 27.192 9.107 12.456 1.00 0.00 N ATOM 458 CA LYS A 29 27.767 9.522 13.727 1.00 0.00 C ATOM 459 C LYS A 29 29.276 9.342 13.690 1.00 0.00 C ATOM 460 O LYS A 29 30.031 10.222 14.113 1.00 0.00 O ATOM 461 CB LYS A 29 27.175 8.707 14.880 1.00 0.00 C ATOM 462 CG LYS A 29 25.662 8.804 15.005 1.00 0.00 C ATOM 463 CD LYS A 29 25.212 10.217 15.336 1.00 0.00 C ATOM 464 CE LYS A 29 23.705 10.283 15.514 1.00 0.00 C ATOM 465 NZ LYS A 29 23.245 11.646 15.861 1.00 0.00 N ATOM 0 H LYS A 29 26.606 8.274 12.514 1.00 0.00 H new ATOM 0 HA LYS A 29 27.530 10.573 13.889 1.00 0.00 H new ATOM 0 HB2 LYS A 29 27.450 7.661 14.748 1.00 0.00 H new ATOM 0 HB3 LYS A 29 27.627 9.040 15.814 1.00 0.00 H new ATOM 0 HG2 LYS A 29 25.199 8.485 14.071 1.00 0.00 H new ATOM 0 HG3 LYS A 29 25.317 8.121 15.782 1.00 0.00 H new ATOM 0 HD2 LYS A 29 25.704 10.555 16.248 1.00 0.00 H new ATOM 0 HD3 LYS A 29 25.517 10.895 14.539 1.00 0.00 H new ATOM 0 HE2 LYS A 29 23.217 9.959 14.595 1.00 0.00 H new ATOM 0 HE3 LYS A 29 23.402 9.588 16.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 22.211 11.645 15.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 23.690 11.946 16.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 23.511 12.306 15.102 1.00 0.00 H new ATOM 479 N SER A 30 29.708 8.199 13.169 1.00 0.00 N ATOM 480 CA SER A 30 31.121 7.901 13.034 1.00 0.00 C ATOM 481 C SER A 30 31.774 8.883 12.069 1.00 0.00 C ATOM 482 O SER A 30 32.901 9.319 12.281 1.00 0.00 O ATOM 483 CB SER A 30 31.299 6.469 12.537 1.00 0.00 C ATOM 484 OG SER A 30 30.611 5.556 13.381 1.00 0.00 O ATOM 0 H SER A 30 29.090 7.461 12.832 1.00 0.00 H new ATOM 0 HA SER A 30 31.603 8.000 14.007 1.00 0.00 H new ATOM 0 HB2 SER A 30 30.924 6.383 11.517 1.00 0.00 H new ATOM 0 HB3 SER A 30 32.359 6.218 12.508 1.00 0.00 H new ATOM 0 HG SER A 30 29.653 5.580 13.176 1.00 0.00 H new ATOM 490 N GLU A 31 31.039 9.238 11.017 1.00 0.00 N ATOM 491 CA GLU A 31 31.515 10.196 10.026 1.00 0.00 C ATOM 492 C GLU A 31 31.861 11.523 10.704 1.00 0.00 C ATOM 493 O GLU A 31 32.894 12.132 10.415 1.00 0.00 O ATOM 494 CB GLU A 31 30.443 10.411 8.954 1.00 0.00 C ATOM 495 CG GLU A 31 30.888 11.279 7.791 1.00 0.00 C ATOM 496 CD GLU A 31 32.018 10.660 7.002 1.00 0.00 C ATOM 497 OE1 GLU A 31 31.756 9.721 6.219 1.00 0.00 O ATOM 498 OE2 GLU A 31 33.173 11.112 7.144 1.00 0.00 O ATOM 0 H GLU A 31 30.105 8.873 10.830 1.00 0.00 H new ATOM 0 HA GLU A 31 32.414 9.802 9.551 1.00 0.00 H new ATOM 0 HB2 GLU A 31 30.131 9.440 8.569 1.00 0.00 H new ATOM 0 HB3 GLU A 31 29.568 10.866 9.418 1.00 0.00 H new ATOM 0 HG2 GLU A 31 30.041 11.454 7.128 1.00 0.00 H new ATOM 0 HG3 GLU A 31 31.204 12.252 8.168 1.00 0.00 H new ATOM 505 N ARG A 32 31.003 11.950 11.624 1.00 0.00 N ATOM 506 CA ARG A 32 31.232 13.177 12.368 1.00 0.00 C ATOM 507 C ARG A 32 32.468 13.031 13.241 1.00 0.00 C ATOM 508 O ARG A 32 33.351 13.868 13.215 1.00 0.00 O ATOM 509 CB ARG A 32 30.020 13.524 13.236 1.00 0.00 C ATOM 510 CG ARG A 32 30.221 14.755 14.101 1.00 0.00 C ATOM 511 CD ARG A 32 29.009 15.040 14.966 1.00 0.00 C ATOM 512 NE ARG A 32 29.239 16.172 15.865 1.00 0.00 N ATOM 513 CZ ARG A 32 28.292 16.751 16.609 1.00 0.00 C ATOM 514 NH1 ARG A 32 27.038 16.305 16.573 1.00 0.00 N ATOM 515 NH2 ARG A 32 28.602 17.777 17.393 1.00 0.00 N ATOM 0 H ARG A 32 30.142 11.462 11.871 1.00 0.00 H new ATOM 0 HA ARG A 32 31.387 13.986 11.654 1.00 0.00 H new ATOM 0 HB2 ARG A 32 29.156 13.681 12.591 1.00 0.00 H new ATOM 0 HB3 ARG A 32 29.788 12.674 13.878 1.00 0.00 H new ATOM 0 HG2 ARG A 32 31.096 14.614 14.736 1.00 0.00 H new ATOM 0 HG3 ARG A 32 30.424 15.617 13.465 1.00 0.00 H new ATOM 0 HD2 ARG A 32 28.149 15.250 14.330 1.00 0.00 H new ATOM 0 HD3 ARG A 32 28.764 14.154 15.552 1.00 0.00 H new ATOM 0 HE ARG A 32 30.187 16.544 15.928 1.00 0.00 H new ATOM 0 HH11 ARG A 32 26.794 15.516 15.974 1.00 0.00 H new ATOM 0 HH12 ARG A 32 26.321 16.752 17.144 1.00 0.00 H new ATOM 0 HH21 ARG A 32 29.561 18.122 17.426 1.00 0.00 H new ATOM 0 HH22 ARG A 32 27.881 18.220 17.962 1.00 0.00 H new ATOM 529 N HIS A 33 32.524 11.940 13.990 1.00 0.00 N ATOM 530 CA HIS A 33 33.652 11.651 14.887 1.00 0.00 C ATOM 531 C HIS A 33 34.991 11.694 14.142 1.00 0.00 C ATOM 532 O HIS A 33 35.995 12.167 14.667 1.00 0.00 O ATOM 533 CB HIS A 33 33.457 10.260 15.525 1.00 0.00 C ATOM 534 CG HIS A 33 34.652 9.743 16.279 1.00 0.00 C ATOM 535 ND1 HIS A 33 35.684 9.047 15.674 1.00 0.00 N ATOM 536 CD2 HIS A 33 34.973 9.818 17.590 1.00 0.00 C ATOM 537 CE1 HIS A 33 36.579 8.717 16.579 1.00 0.00 C ATOM 538 NE2 HIS A 33 36.176 9.173 17.752 1.00 0.00 N ATOM 0 H HIS A 33 31.795 11.227 13.999 1.00 0.00 H new ATOM 0 HA HIS A 33 33.675 12.418 15.661 1.00 0.00 H new ATOM 0 HB2 HIS A 33 32.606 10.303 16.205 1.00 0.00 H new ATOM 0 HB3 HIS A 33 33.203 9.547 14.740 1.00 0.00 H new ATOM 0 HD1 HIS A 33 35.741 8.825 14.680 1.00 0.00 H new ATOM 0 HD2 HIS A 33 34.393 10.296 18.365 1.00 0.00 H new ATOM 0 HE1 HIS A 33 37.490 8.166 16.395 1.00 0.00 H new ATOM 546 N ASP A 34 34.983 11.210 12.929 1.00 0.00 N ATOM 547 CA ASP A 34 36.195 11.092 12.129 1.00 0.00 C ATOM 548 C ASP A 34 36.559 12.372 11.379 1.00 0.00 C ATOM 549 O ASP A 34 37.617 12.434 10.756 1.00 0.00 O ATOM 550 CB ASP A 34 36.121 9.897 11.172 1.00 0.00 C ATOM 551 CG ASP A 34 36.289 8.562 11.888 1.00 0.00 C ATOM 552 OD1 ASP A 34 35.877 8.443 13.069 1.00 0.00 O ATOM 553 OD2 ASP A 34 36.838 7.620 11.272 1.00 0.00 O ATOM 0 H ASP A 34 34.140 10.883 12.458 1.00 0.00 H new ATOM 0 HA ASP A 34 37.002 10.917 12.841 1.00 0.00 H new ATOM 0 HB2 ASP A 34 35.162 9.909 10.655 1.00 0.00 H new ATOM 0 HB3 ASP A 34 36.895 9.997 10.411 1.00 0.00 H new ATOM 558 N HIS A 35 35.677 13.381 11.413 1.00 0.00 N ATOM 559 CA HIS A 35 35.925 14.651 10.679 1.00 0.00 C ATOM 560 C HIS A 35 37.330 15.225 10.965 1.00 0.00 C ATOM 561 O HIS A 35 37.988 15.749 10.063 1.00 0.00 O ATOM 562 CB HIS A 35 34.834 15.732 10.975 1.00 0.00 C ATOM 563 CG HIS A 35 35.055 16.548 12.233 1.00 0.00 C ATOM 564 ND1 HIS A 35 35.650 17.795 12.223 1.00 0.00 N ATOM 565 CD2 HIS A 35 34.758 16.295 13.529 1.00 0.00 C ATOM 566 CE1 HIS A 35 35.706 18.264 13.459 1.00 0.00 C ATOM 567 NE2 HIS A 35 35.173 17.376 14.264 1.00 0.00 N ATOM 0 H HIS A 35 34.797 13.354 11.929 1.00 0.00 H new ATOM 0 HA HIS A 35 35.870 14.396 9.621 1.00 0.00 H new ATOM 0 HB2 HIS A 35 34.780 16.412 10.125 1.00 0.00 H new ATOM 0 HB3 HIS A 35 33.866 15.237 11.048 1.00 0.00 H new ATOM 0 HD2 HIS A 35 34.282 15.405 13.914 1.00 0.00 H new ATOM 0 HE1 HIS A 35 36.120 19.216 13.755 1.00 0.00 H new ATOM 0 HE2 HIS A 35 35.082 17.474 15.275 1.00 0.00 H new ATOM 575 N ASP A 36 37.793 15.107 12.210 1.00 0.00 N ATOM 576 CA ASP A 36 39.108 15.630 12.576 1.00 0.00 C ATOM 577 C ASP A 36 40.214 14.726 12.044 1.00 0.00 C ATOM 578 O ASP A 36 41.268 15.205 11.628 1.00 0.00 O ATOM 579 CB ASP A 36 39.241 15.809 14.104 1.00 0.00 C ATOM 580 CG ASP A 36 39.212 14.502 14.874 1.00 0.00 C ATOM 581 OD1 ASP A 36 38.119 14.089 15.308 1.00 0.00 O ATOM 582 OD2 ASP A 36 40.281 13.884 15.056 1.00 0.00 O ATOM 0 H ASP A 36 37.284 14.660 12.973 1.00 0.00 H new ATOM 0 HA ASP A 36 39.211 16.613 12.117 1.00 0.00 H new ATOM 0 HB2 ASP A 36 40.175 16.328 14.321 1.00 0.00 H new ATOM 0 HB3 ASP A 36 38.432 16.448 14.458 1.00 0.00 H new ATOM 587 N LYS A 37 39.942 13.426 12.031 1.00 0.00 N ATOM 588 CA LYS A 37 40.901 12.420 11.550 1.00 0.00 C ATOM 589 C LYS A 37 41.123 12.558 10.048 1.00 0.00 C ATOM 590 O LYS A 37 42.246 12.426 9.557 1.00 0.00 O ATOM 591 CB LYS A 37 40.402 11.000 11.865 1.00 0.00 C ATOM 592 CG LYS A 37 41.291 9.898 11.321 1.00 0.00 C ATOM 593 CD LYS A 37 40.583 8.561 11.370 1.00 0.00 C ATOM 594 CE LYS A 37 41.430 7.461 10.768 1.00 0.00 C ATOM 595 NZ LYS A 37 40.680 6.189 10.667 1.00 0.00 N ATOM 0 H LYS A 37 39.056 13.034 12.351 1.00 0.00 H new ATOM 0 HA LYS A 37 41.846 12.589 12.066 1.00 0.00 H new ATOM 0 HB2 LYS A 37 40.320 10.886 12.946 1.00 0.00 H new ATOM 0 HB3 LYS A 37 39.399 10.879 11.455 1.00 0.00 H new ATOM 0 HG2 LYS A 37 41.574 10.127 10.294 1.00 0.00 H new ATOM 0 HG3 LYS A 37 42.212 9.848 11.902 1.00 0.00 H new ATOM 0 HD2 LYS A 37 40.344 8.313 12.404 1.00 0.00 H new ATOM 0 HD3 LYS A 37 39.638 8.629 10.832 1.00 0.00 H new ATOM 0 HE2 LYS A 37 41.770 7.763 9.777 1.00 0.00 H new ATOM 0 HE3 LYS A 37 42.321 7.311 11.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 41.291 5.458 10.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 40.377 5.888 11.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 39.844 6.326 10.064 1.00 0.00 H new ATOM 609 N LYS A 38 40.044 12.810 9.322 1.00 0.00 N ATOM 610 CA LYS A 38 40.127 12.983 7.872 1.00 0.00 C ATOM 611 C LYS A 38 40.941 14.224 7.549 1.00 0.00 C ATOM 612 O LYS A 38 41.670 14.270 6.559 1.00 0.00 O ATOM 613 CB LYS A 38 38.727 13.085 7.243 1.00 0.00 C ATOM 614 CG LYS A 38 38.749 13.193 5.729 1.00 0.00 C ATOM 615 CD LYS A 38 37.348 13.224 5.151 1.00 0.00 C ATOM 616 CE LYS A 38 37.379 13.289 3.634 1.00 0.00 C ATOM 617 NZ LYS A 38 36.020 13.273 3.054 1.00 0.00 N ATOM 0 H LYS A 38 39.104 12.900 9.707 1.00 0.00 H new ATOM 0 HA LYS A 38 40.620 12.108 7.449 1.00 0.00 H new ATOM 0 HB2 LYS A 38 38.145 12.209 7.528 1.00 0.00 H new ATOM 0 HB3 LYS A 38 38.215 13.955 7.654 1.00 0.00 H new ATOM 0 HG2 LYS A 38 39.284 14.096 5.436 1.00 0.00 H new ATOM 0 HG3 LYS A 38 39.297 12.348 5.311 1.00 0.00 H new ATOM 0 HD2 LYS A 38 36.802 12.336 5.468 1.00 0.00 H new ATOM 0 HD3 LYS A 38 36.809 14.087 5.543 1.00 0.00 H new ATOM 0 HE2 LYS A 38 37.897 14.195 3.320 1.00 0.00 H new ATOM 0 HE3 LYS A 38 37.949 12.445 3.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 36.085 13.319 2.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 35.534 12.397 3.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 35.484 14.092 3.404 1.00 0.00 H new ATOM 631 N GLU A 39 40.819 15.219 8.408 1.00 0.00 N ATOM 632 CA GLU A 39 41.551 16.466 8.262 1.00 0.00 C ATOM 633 C GLU A 39 43.046 16.231 8.485 1.00 0.00 C ATOM 634 O GLU A 39 43.879 16.628 7.657 1.00 0.00 O ATOM 635 CB GLU A 39 41.012 17.511 9.248 1.00 0.00 C ATOM 636 CG GLU A 39 41.700 18.856 9.185 1.00 0.00 C ATOM 637 CD GLU A 39 41.011 19.871 10.054 1.00 0.00 C ATOM 638 OE1 GLU A 39 41.224 19.852 11.275 1.00 0.00 O ATOM 639 OE2 GLU A 39 40.229 20.683 9.514 1.00 0.00 O ATOM 0 H GLU A 39 40.211 15.187 9.226 1.00 0.00 H new ATOM 0 HA GLU A 39 41.411 16.843 7.249 1.00 0.00 H new ATOM 0 HB2 GLU A 39 39.948 17.654 9.059 1.00 0.00 H new ATOM 0 HB3 GLU A 39 41.106 17.118 10.260 1.00 0.00 H new ATOM 0 HG2 GLU A 39 42.738 18.750 9.501 1.00 0.00 H new ATOM 0 HG3 GLU A 39 41.716 19.209 8.154 1.00 0.00 H new ATOM 646 N ALA A 40 43.373 15.574 9.597 1.00 0.00 N ATOM 647 CA ALA A 40 44.752 15.254 9.953 1.00 0.00 C ATOM 648 C ALA A 40 44.780 14.478 11.269 1.00 0.00 C ATOM 649 O ALA A 40 43.770 13.917 11.684 1.00 0.00 O ATOM 650 CB ALA A 40 45.583 16.528 10.080 1.00 0.00 C ATOM 0 H ALA A 40 42.686 15.248 10.277 1.00 0.00 H new ATOM 0 HA ALA A 40 45.183 14.638 9.163 1.00 0.00 H new ATOM 0 HB1 ALA A 40 46.608 16.269 10.346 1.00 0.00 H new ATOM 0 HB2 ALA A 40 45.579 17.062 9.130 1.00 0.00 H new ATOM 0 HB3 ALA A 40 45.157 17.165 10.855 1.00 0.00 H new ATOM 656 N GLU A 41 45.931 14.442 11.921 1.00 0.00 N ATOM 657 CA GLU A 41 46.044 13.780 13.209 1.00 0.00 C ATOM 658 C GLU A 41 45.469 14.687 14.285 1.00 0.00 C ATOM 659 O GLU A 41 44.770 14.240 15.196 1.00 0.00 O ATOM 660 CB GLU A 41 47.505 13.439 13.509 1.00 0.00 C ATOM 661 CG GLU A 41 48.115 12.469 12.512 1.00 0.00 C ATOM 662 CD GLU A 41 49.606 12.330 12.674 1.00 0.00 C ATOM 663 OE1 GLU A 41 50.052 11.668 13.636 1.00 0.00 O ATOM 664 OE2 GLU A 41 50.347 12.882 11.842 1.00 0.00 O ATOM 0 H GLU A 41 46.796 14.862 11.581 1.00 0.00 H new ATOM 0 HA GLU A 41 45.482 12.846 13.190 1.00 0.00 H new ATOM 0 HB2 GLU A 41 48.091 14.358 13.516 1.00 0.00 H new ATOM 0 HB3 GLU A 41 47.572 13.011 14.509 1.00 0.00 H new ATOM 0 HG2 GLU A 41 47.648 11.491 12.630 1.00 0.00 H new ATOM 0 HG3 GLU A 41 47.894 12.808 11.500 1.00 0.00 H new ATOM 671 N ARG A 42 45.765 15.966 14.152 1.00 0.00 N ATOM 672 CA ARG A 42 45.281 16.981 15.006 1.00 0.00 C ATOM 673 C ARG A 42 45.683 18.293 14.386 1.00 0.00 C ATOM 674 O ARG A 42 46.868 18.560 14.190 1.00 0.00 O ATOM 675 CB ARG A 42 45.875 16.837 16.414 1.00 0.00 C ATOM 676 CG ARG A 42 45.368 17.858 17.410 1.00 0.00 C ATOM 677 CD ARG A 42 45.855 17.553 18.820 1.00 0.00 C ATOM 678 NE ARG A 42 47.314 17.436 18.896 1.00 0.00 N ATOM 679 CZ ARG A 42 48.089 18.125 19.742 1.00 0.00 C ATOM 680 NH1 ARG A 42 47.558 19.022 20.572 1.00 0.00 N ATOM 681 NH2 ARG A 42 49.394 17.917 19.756 1.00 0.00 N ATOM 0 H ARG A 42 46.373 16.317 13.412 1.00 0.00 H new ATOM 0 HA ARG A 42 44.198 16.917 15.114 1.00 0.00 H new ATOM 0 HB2 ARG A 42 45.652 15.838 16.790 1.00 0.00 H new ATOM 0 HB3 ARG A 42 46.960 16.918 16.348 1.00 0.00 H new ATOM 0 HG2 ARG A 42 45.703 18.852 17.116 1.00 0.00 H new ATOM 0 HG3 ARG A 42 44.278 17.872 17.396 1.00 0.00 H new ATOM 0 HD2 ARG A 42 45.521 18.341 19.495 1.00 0.00 H new ATOM 0 HD3 ARG A 42 45.401 16.624 19.165 1.00 0.00 H new ATOM 0 HE ARG A 42 47.771 16.783 18.259 1.00 0.00 H new ATOM 0 HH11 ARG A 42 46.552 19.189 20.567 1.00 0.00 H new ATOM 0 HH12 ARG A 42 48.158 19.542 21.213 1.00 0.00 H new ATOM 0 HH21 ARG A 42 49.808 17.233 19.123 1.00 0.00 H new ATOM 0 HH22 ARG A 42 49.987 18.441 20.400 1.00 0.00 H new ATOM 695 N LYS A 43 44.711 19.108 14.124 1.00 0.00 N ATOM 696 CA LYS A 43 44.928 20.404 13.461 1.00 0.00 C ATOM 697 C LYS A 43 45.770 21.350 14.305 1.00 0.00 C ATOM 698 O LYS A 43 46.262 22.351 13.806 1.00 0.00 O ATOM 699 CB LYS A 43 43.598 21.076 13.097 1.00 0.00 C ATOM 700 CG LYS A 43 42.829 21.614 14.288 1.00 0.00 C ATOM 701 CD LYS A 43 41.562 22.325 13.852 1.00 0.00 C ATOM 702 CE LYS A 43 40.915 23.048 15.017 1.00 0.00 C ATOM 703 NZ LYS A 43 41.727 24.211 15.468 1.00 0.00 N ATOM 0 H LYS A 43 43.736 18.916 14.354 1.00 0.00 H new ATOM 0 HA LYS A 43 45.478 20.190 12.545 1.00 0.00 H new ATOM 0 HB2 LYS A 43 43.795 21.895 12.405 1.00 0.00 H new ATOM 0 HB3 LYS A 43 42.972 20.356 12.569 1.00 0.00 H new ATOM 0 HG2 LYS A 43 42.575 20.794 14.960 1.00 0.00 H new ATOM 0 HG3 LYS A 43 43.460 22.303 14.850 1.00 0.00 H new ATOM 0 HD2 LYS A 43 41.795 23.038 13.061 1.00 0.00 H new ATOM 0 HD3 LYS A 43 40.861 21.603 13.434 1.00 0.00 H new ATOM 0 HE2 LYS A 43 39.922 23.390 14.726 1.00 0.00 H new ATOM 0 HE3 LYS A 43 40.783 22.354 15.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 41.944 24.112 16.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 42.614 24.246 14.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 41.192 25.089 15.313 1.00 0.00 H new ATOM 717 N ALA A 44 45.928 21.027 15.586 1.00 0.00 N ATOM 718 CA ALA A 44 46.738 21.848 16.493 1.00 0.00 C ATOM 719 C ALA A 44 48.133 22.079 15.925 1.00 0.00 C ATOM 720 O ALA A 44 48.699 23.164 16.066 1.00 0.00 O ATOM 721 CB ALA A 44 46.837 21.209 17.876 1.00 0.00 C ATOM 0 H ALA A 44 45.509 20.206 16.022 1.00 0.00 H new ATOM 0 HA ALA A 44 46.239 22.812 16.592 1.00 0.00 H new ATOM 0 HB1 ALA A 44 47.443 21.840 18.526 1.00 0.00 H new ATOM 0 HB2 ALA A 44 45.839 21.104 18.301 1.00 0.00 H new ATOM 0 HB3 ALA A 44 47.300 20.226 17.790 1.00 0.00 H new ATOM 727 N LEU A 45 48.676 21.058 15.269 1.00 0.00 N ATOM 728 CA LEU A 45 49.999 21.149 14.663 1.00 0.00 C ATOM 729 C LEU A 45 49.969 22.036 13.425 1.00 0.00 C ATOM 730 O LEU A 45 50.918 22.779 13.157 1.00 0.00 O ATOM 731 CB LEU A 45 50.521 19.756 14.300 1.00 0.00 C ATOM 732 CG LEU A 45 50.682 18.781 15.471 1.00 0.00 C ATOM 733 CD1 LEU A 45 51.148 17.423 14.972 1.00 0.00 C ATOM 734 CD2 LEU A 45 51.660 19.337 16.499 1.00 0.00 C ATOM 0 H LEU A 45 48.218 20.155 15.144 1.00 0.00 H new ATOM 0 HA LEU A 45 50.673 21.597 15.393 1.00 0.00 H new ATOM 0 HB2 LEU A 45 49.842 19.312 13.572 1.00 0.00 H new ATOM 0 HB3 LEU A 45 51.487 19.867 13.808 1.00 0.00 H new ATOM 0 HG LEU A 45 49.712 18.657 15.952 1.00 0.00 H new ATOM 0 HD11 LEU A 45 51.257 16.743 15.817 1.00 0.00 H new ATOM 0 HD12 LEU A 45 50.414 17.020 14.274 1.00 0.00 H new ATOM 0 HD13 LEU A 45 52.108 17.531 14.467 1.00 0.00 H new ATOM 0 HD21 LEU A 45 51.762 18.631 17.323 1.00 0.00 H new ATOM 0 HD22 LEU A 45 52.632 19.490 16.031 1.00 0.00 H new ATOM 0 HD23 LEU A 45 51.287 20.288 16.879 1.00 0.00 H new ATOM 746 N GLU A 46 48.875 21.966 12.676 1.00 0.00 N ATOM 747 CA GLU A 46 48.717 22.781 11.475 1.00 0.00 C ATOM 748 C GLU A 46 48.473 24.234 11.847 1.00 0.00 C ATOM 749 O GLU A 46 48.994 25.141 11.200 1.00 0.00 O ATOM 750 CB GLU A 46 47.568 22.262 10.584 1.00 0.00 C ATOM 751 CG GLU A 46 47.898 21.000 9.785 1.00 0.00 C ATOM 752 CD GLU A 46 48.370 19.839 10.641 1.00 0.00 C ATOM 753 OE1 GLU A 46 47.562 19.295 11.406 1.00 0.00 O ATOM 754 OE2 GLU A 46 49.558 19.457 10.529 1.00 0.00 O ATOM 0 H GLU A 46 48.084 21.354 12.878 1.00 0.00 H new ATOM 0 HA GLU A 46 49.643 22.709 10.905 1.00 0.00 H new ATOM 0 HB2 GLU A 46 46.701 22.061 11.213 1.00 0.00 H new ATOM 0 HB3 GLU A 46 47.281 23.051 9.889 1.00 0.00 H new ATOM 0 HG2 GLU A 46 47.013 20.692 9.228 1.00 0.00 H new ATOM 0 HG3 GLU A 46 48.670 21.236 9.052 1.00 0.00 H new ATOM 761 N ASP A 47 47.675 24.449 12.896 1.00 0.00 N ATOM 762 CA ASP A 47 47.397 25.798 13.391 1.00 0.00 C ATOM 763 C ASP A 47 48.682 26.432 13.876 1.00 0.00 C ATOM 764 O ASP A 47 48.946 27.613 13.622 1.00 0.00 O ATOM 765 CB ASP A 47 46.374 25.782 14.540 1.00 0.00 C ATOM 766 CG ASP A 47 44.993 25.299 14.124 1.00 0.00 C ATOM 767 OD1 ASP A 47 44.537 25.657 13.011 1.00 0.00 O ATOM 768 OD2 ASP A 47 44.346 24.577 14.926 1.00 0.00 O ATOM 0 H ASP A 47 47.211 23.706 13.418 1.00 0.00 H new ATOM 0 HA ASP A 47 46.975 26.376 12.569 1.00 0.00 H new ATOM 0 HB2 ASP A 47 46.748 25.141 15.338 1.00 0.00 H new ATOM 0 HB3 ASP A 47 46.288 26.787 14.952 1.00 0.00 H new ATOM 773 N LYS A 48 49.477 25.631 14.589 1.00 0.00 N ATOM 774 CA LYS A 48 50.785 26.065 15.076 1.00 0.00 C ATOM 775 C LYS A 48 51.627 26.567 13.897 1.00 0.00 C ATOM 776 O LYS A 48 52.188 27.662 13.951 1.00 0.00 O ATOM 777 CB LYS A 48 51.499 24.926 15.835 1.00 0.00 C ATOM 778 CG LYS A 48 52.776 25.347 16.531 1.00 0.00 C ATOM 779 CD LYS A 48 53.389 24.188 17.299 1.00 0.00 C ATOM 780 CE LYS A 48 54.547 24.646 18.164 1.00 0.00 C ATOM 781 NZ LYS A 48 55.601 25.310 17.366 1.00 0.00 N ATOM 0 H LYS A 48 49.234 24.673 14.842 1.00 0.00 H new ATOM 0 HA LYS A 48 50.650 26.884 15.783 1.00 0.00 H new ATOM 0 HB2 LYS A 48 50.814 24.513 16.576 1.00 0.00 H new ATOM 0 HB3 LYS A 48 51.729 24.125 15.132 1.00 0.00 H new ATOM 0 HG2 LYS A 48 53.490 25.717 15.795 1.00 0.00 H new ATOM 0 HG3 LYS A 48 52.567 26.170 17.214 1.00 0.00 H new ATOM 0 HD2 LYS A 48 52.628 23.722 17.925 1.00 0.00 H new ATOM 0 HD3 LYS A 48 53.735 23.428 16.598 1.00 0.00 H new ATOM 0 HE2 LYS A 48 54.181 25.334 18.926 1.00 0.00 H new ATOM 0 HE3 LYS A 48 54.972 23.789 18.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 56.533 24.943 17.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 55.444 25.118 16.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 55.568 26.336 17.533 1.00 0.00 H new ATOM 795 N LEU A 49 51.713 25.741 12.835 1.00 0.00 N ATOM 796 CA LEU A 49 52.338 26.118 11.563 1.00 0.00 C ATOM 797 C LEU A 49 53.856 26.367 11.670 1.00 0.00 C ATOM 798 O LEU A 49 54.504 26.701 10.678 1.00 0.00 O ATOM 799 CB LEU A 49 51.620 27.340 10.997 1.00 0.00 C ATOM 800 CG LEU A 49 51.971 27.752 9.576 1.00 0.00 C ATOM 801 CD1 LEU A 49 51.699 26.618 8.599 1.00 0.00 C ATOM 802 CD2 LEU A 49 51.169 28.971 9.206 1.00 0.00 C ATOM 0 H LEU A 49 51.347 24.789 12.842 1.00 0.00 H new ATOM 0 HA LEU A 49 52.233 25.272 10.884 1.00 0.00 H new ATOM 0 HB2 LEU A 49 50.547 27.152 11.040 1.00 0.00 H new ATOM 0 HB3 LEU A 49 51.822 28.186 11.654 1.00 0.00 H new ATOM 0 HG LEU A 49 53.034 27.985 9.524 1.00 0.00 H new ATOM 0 HD11 LEU A 49 51.958 26.937 7.590 1.00 0.00 H new ATOM 0 HD12 LEU A 49 52.301 25.751 8.871 1.00 0.00 H new ATOM 0 HD13 LEU A 49 50.643 26.352 8.635 1.00 0.00 H new ATOM 0 HD21 LEU A 49 51.415 29.273 8.188 1.00 0.00 H new ATOM 0 HD22 LEU A 49 50.106 28.740 9.269 1.00 0.00 H new ATOM 0 HD23 LEU A 49 51.405 29.784 9.893 1.00 0.00 H new ATOM 814 N ALA A 50 54.419 26.186 12.845 1.00 0.00 N ATOM 815 CA ALA A 50 55.835 26.421 13.033 1.00 0.00 C ATOM 816 C ALA A 50 56.483 25.280 13.791 1.00 0.00 C ATOM 817 O ALA A 50 55.937 24.791 14.781 1.00 0.00 O ATOM 818 CB ALA A 50 56.062 27.739 13.760 1.00 0.00 C ATOM 0 H ALA A 50 53.922 25.879 13.681 1.00 0.00 H new ATOM 0 HA ALA A 50 56.301 26.478 12.049 1.00 0.00 H new ATOM 0 HB1 ALA A 50 57.132 27.901 13.894 1.00 0.00 H new ATOM 0 HB2 ALA A 50 55.642 28.555 13.173 1.00 0.00 H new ATOM 0 HB3 ALA A 50 55.575 27.705 14.735 1.00 0.00 H new ATOM 824 N ASP A 51 57.647 24.867 13.333 1.00 0.00 N ATOM 825 CA ASP A 51 58.392 23.797 13.969 1.00 0.00 C ATOM 826 C ASP A 51 59.874 23.990 13.717 1.00 0.00 C ATOM 827 O ASP A 51 60.269 24.567 12.699 1.00 0.00 O ATOM 828 CB ASP A 51 57.936 22.409 13.475 1.00 0.00 C ATOM 829 CG ASP A 51 58.344 22.102 12.043 1.00 0.00 C ATOM 830 OD1 ASP A 51 57.630 22.527 11.105 1.00 0.00 O ATOM 831 OD2 ASP A 51 59.369 21.401 11.849 1.00 0.00 O ATOM 0 H ASP A 51 58.104 25.262 12.511 1.00 0.00 H new ATOM 0 HA ASP A 51 58.197 23.838 15.041 1.00 0.00 H new ATOM 0 HB2 ASP A 51 58.351 21.645 14.133 1.00 0.00 H new ATOM 0 HB3 ASP A 51 56.851 22.344 13.556 1.00 0.00 H new ATOM 836 N TYR A 52 60.687 23.526 14.636 1.00 0.00 N ATOM 837 CA TYR A 52 62.121 23.682 14.522 1.00 0.00 C ATOM 838 C TYR A 52 62.744 22.398 14.027 1.00 0.00 C ATOM 839 O TYR A 52 63.149 22.351 12.851 1.00 0.00 O ATOM 840 CB TYR A 52 62.731 24.107 15.862 1.00 0.00 C ATOM 841 CG TYR A 52 62.146 25.396 16.402 1.00 0.00 C ATOM 842 CD1 TYR A 52 61.312 25.392 17.508 1.00 0.00 C ATOM 843 CD2 TYR A 52 62.414 26.613 15.788 1.00 0.00 C ATOM 844 CE1 TYR A 52 60.760 26.562 17.989 1.00 0.00 C ATOM 845 CE2 TYR A 52 61.870 27.789 16.266 1.00 0.00 C ATOM 846 CZ TYR A 52 61.043 27.758 17.365 1.00 0.00 C ATOM 847 OH TYR A 52 60.483 28.928 17.836 1.00 0.00 O ATOM 848 OXT TYR A 52 62.784 21.421 14.794 1.00 0.00 O ATOM 0 H TYR A 52 60.380 23.035 15.476 1.00 0.00 H new ATOM 0 HA TYR A 52 62.330 24.470 13.798 1.00 0.00 H new ATOM 0 HB2 TYR A 52 62.578 23.312 16.592 1.00 0.00 H new ATOM 0 HB3 TYR A 52 63.808 24.226 15.742 1.00 0.00 H new ATOM 0 HD1 TYR A 52 61.090 24.458 18.002 1.00 0.00 H new ATOM 0 HD2 TYR A 52 63.059 26.640 14.922 1.00 0.00 H new ATOM 0 HE1 TYR A 52 60.109 26.540 18.851 1.00 0.00 H new ATOM 0 HE2 TYR A 52 62.092 28.727 15.780 1.00 0.00 H new ATOM 0 HH TYR A 52 60.785 29.680 17.285 1.00 0.00 H new TER 858 TYR A 52