USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 531 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 144 MET CE :methyl 153:sc= -0.151 (180deg=-1.11) USER MOD Single : A 146 LYS NZ :NH3+ -166:sc=-0.00482 (180deg=-0.196) USER MOD Single : A 147 GLN : amide:sc= -0.0674 X(o=-0.067,f=-0.52) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.102) USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 168 SER OG : rot 78:sc= 1.2 USER MOD Single : A 169 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 216 THR OG1 : rot 180:sc= -0.342 USER MOD Single : B 222 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 223 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.34) USER MOD Single : B 228 GLN : amide:sc= -0.653 K(o=-0.65,f=-2.4!) USER MOD Single : B 229 GLN : amide:sc= -0.0138 K(o=-0.014,f=-2.3!) USER MOD Single : B 232 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 233 LYS NZ :NH3+ -166:sc=-0.00888 (180deg=-0.205) USER MOD Single : B 239 MET CE :methyl -137:sc= -0.209 (180deg=-1.36!) USER MOD ----------------------------------------------------------------- ATOM 35 N GLU A 139 25.396 -4.555 -15.524 1.00 0.00 N ATOM 36 CA GLU A 139 24.863 -4.519 -14.168 1.00 0.00 C ATOM 37 C GLU A 139 25.995 -4.429 -13.150 1.00 0.00 C ATOM 38 O GLU A 139 25.878 -3.740 -12.136 1.00 0.00 O ATOM 39 CB GLU A 139 24.030 -5.774 -13.899 1.00 0.00 C ATOM 40 CG GLU A 139 24.935 -7.007 -13.952 1.00 0.00 C ATOM 41 CD GLU A 139 24.101 -8.273 -13.785 1.00 0.00 C ATOM 42 OE1 GLU A 139 22.924 -8.148 -13.490 1.00 0.00 O ATOM 43 OE2 GLU A 139 24.652 -9.349 -13.953 1.00 0.00 O ATOM 0 HA GLU A 139 24.230 -3.637 -14.070 1.00 0.00 H new ATOM 0 HB2 GLU A 139 23.551 -5.703 -12.923 1.00 0.00 H new ATOM 0 HB3 GLU A 139 23.235 -5.861 -14.639 1.00 0.00 H new ATOM 0 HG2 GLU A 139 25.469 -7.036 -14.902 1.00 0.00 H new ATOM 0 HG3 GLU A 139 25.687 -6.951 -13.165 1.00 0.00 H new ATOM 50 N GLU A 140 27.091 -5.126 -13.429 1.00 0.00 N ATOM 51 CA GLU A 140 28.240 -5.118 -12.530 1.00 0.00 C ATOM 52 C GLU A 140 28.866 -3.728 -12.477 1.00 0.00 C ATOM 53 O GLU A 140 29.284 -3.265 -11.415 1.00 0.00 O ATOM 54 CB GLU A 140 29.282 -6.132 -13.004 1.00 0.00 C ATOM 55 CG GLU A 140 29.853 -6.880 -11.798 1.00 0.00 C ATOM 56 CD GLU A 140 30.611 -5.912 -10.895 1.00 0.00 C ATOM 57 OE1 GLU A 140 31.144 -4.945 -11.412 1.00 0.00 O ATOM 58 OE2 GLU A 140 30.647 -6.154 -9.699 1.00 0.00 O ATOM 0 H GLU A 140 27.208 -5.700 -14.264 1.00 0.00 H new ATOM 0 HA GLU A 140 27.899 -5.390 -11.531 1.00 0.00 H new ATOM 0 HB2 GLU A 140 28.828 -6.837 -13.701 1.00 0.00 H new ATOM 0 HB3 GLU A 140 30.082 -5.623 -13.541 1.00 0.00 H new ATOM 0 HG2 GLU A 140 29.047 -7.356 -11.240 1.00 0.00 H new ATOM 0 HG3 GLU A 140 30.519 -7.674 -12.134 1.00 0.00 H new ATOM 65 N ARG A 141 28.928 -3.068 -13.628 1.00 0.00 N ATOM 66 CA ARG A 141 29.505 -1.730 -13.701 1.00 0.00 C ATOM 67 C ARG A 141 28.699 -0.752 -12.851 1.00 0.00 C ATOM 68 O ARG A 141 29.265 0.075 -12.136 1.00 0.00 O ATOM 69 CB ARG A 141 29.525 -1.250 -15.154 1.00 0.00 C ATOM 70 CG ARG A 141 30.209 0.117 -15.230 1.00 0.00 C ATOM 71 CD ARG A 141 30.296 0.564 -16.689 1.00 0.00 C ATOM 72 NE ARG A 141 28.961 0.802 -17.225 1.00 0.00 N ATOM 73 CZ ARG A 141 28.739 0.820 -18.535 1.00 0.00 C ATOM 74 NH1 ARG A 141 29.725 0.623 -19.367 1.00 0.00 N ATOM 75 NH2 ARG A 141 27.535 1.036 -18.990 1.00 0.00 N ATOM 0 H ARG A 141 28.589 -3.434 -14.518 1.00 0.00 H new ATOM 0 HA ARG A 141 30.525 -1.772 -13.318 1.00 0.00 H new ATOM 0 HB2 ARG A 141 30.055 -1.969 -15.779 1.00 0.00 H new ATOM 0 HB3 ARG A 141 28.508 -1.182 -15.540 1.00 0.00 H new ATOM 0 HG2 ARG A 141 29.649 0.848 -14.647 1.00 0.00 H new ATOM 0 HG3 ARG A 141 31.207 0.061 -14.796 1.00 0.00 H new ATOM 0 HD2 ARG A 141 30.893 1.473 -16.763 1.00 0.00 H new ATOM 0 HD3 ARG A 141 30.802 -0.199 -17.281 1.00 0.00 H new ATOM 0 HE ARG A 141 28.184 0.957 -16.583 1.00 0.00 H new ATOM 0 HH11 ARG A 141 30.666 0.455 -19.012 1.00 0.00 H new ATOM 0 HH12 ARG A 141 29.554 0.637 -20.373 1.00 0.00 H new ATOM 0 HH21 ARG A 141 26.764 1.191 -18.340 1.00 0.00 H new ATOM 0 HH22 ARG A 141 27.365 1.050 -19.996 1.00 0.00 H new ATOM 89 N GLU A 142 27.377 -0.854 -12.934 1.00 0.00 N ATOM 90 CA GLU A 142 26.502 0.027 -12.169 1.00 0.00 C ATOM 91 C GLU A 142 26.588 -0.294 -10.680 1.00 0.00 C ATOM 92 O GLU A 142 26.636 0.606 -9.842 1.00 0.00 O ATOM 93 CB GLU A 142 25.057 -0.129 -12.644 1.00 0.00 C ATOM 94 CG GLU A 142 24.161 0.853 -11.886 1.00 0.00 C ATOM 95 CD GLU A 142 22.736 0.779 -12.424 1.00 0.00 C ATOM 96 OE1 GLU A 142 22.554 0.210 -13.488 1.00 0.00 O ATOM 97 OE2 GLU A 142 21.848 1.292 -11.764 1.00 0.00 O ATOM 0 H GLU A 142 26.890 -1.533 -13.519 1.00 0.00 H new ATOM 0 HA GLU A 142 26.826 1.056 -12.327 1.00 0.00 H new ATOM 0 HB2 GLU A 142 24.993 0.057 -13.716 1.00 0.00 H new ATOM 0 HB3 GLU A 142 24.717 -1.151 -12.477 1.00 0.00 H new ATOM 0 HG2 GLU A 142 24.169 0.619 -10.821 1.00 0.00 H new ATOM 0 HG3 GLU A 142 24.547 1.867 -11.992 1.00 0.00 H new ATOM 104 N ARG A 143 26.607 -1.584 -10.359 1.00 0.00 N ATOM 105 CA ARG A 143 26.683 -2.013 -8.966 1.00 0.00 C ATOM 106 C ARG A 143 27.973 -1.516 -8.322 1.00 0.00 C ATOM 107 O ARG A 143 27.969 -1.051 -7.183 1.00 0.00 O ATOM 108 CB ARG A 143 26.624 -3.539 -8.886 1.00 0.00 C ATOM 109 CG ARG A 143 26.623 -3.973 -7.420 1.00 0.00 C ATOM 110 CD ARG A 143 26.495 -5.496 -7.336 1.00 0.00 C ATOM 111 NE ARG A 143 27.695 -6.132 -7.868 1.00 0.00 N ATOM 112 CZ ARG A 143 27.736 -7.440 -8.094 1.00 0.00 C ATOM 113 NH1 ARG A 143 26.690 -8.180 -7.842 1.00 0.00 N ATOM 114 NH2 ARG A 143 28.822 -7.987 -8.569 1.00 0.00 N ATOM 0 H ARG A 143 26.571 -2.345 -11.037 1.00 0.00 H new ATOM 0 HA ARG A 143 25.836 -1.589 -8.428 1.00 0.00 H new ATOM 0 HB2 ARG A 143 25.727 -3.906 -9.385 1.00 0.00 H new ATOM 0 HB3 ARG A 143 27.478 -3.974 -9.405 1.00 0.00 H new ATOM 0 HG2 ARG A 143 27.542 -3.648 -6.933 1.00 0.00 H new ATOM 0 HG3 ARG A 143 25.797 -3.499 -6.890 1.00 0.00 H new ATOM 0 HD2 ARG A 143 26.343 -5.799 -6.300 1.00 0.00 H new ATOM 0 HD3 ARG A 143 25.620 -5.826 -7.897 1.00 0.00 H new ATOM 0 HE ARG A 143 28.517 -5.562 -8.070 1.00 0.00 H new ATOM 0 HH11 ARG A 143 25.841 -7.753 -7.471 1.00 0.00 H new ATOM 0 HH12 ARG A 143 26.722 -9.185 -8.016 1.00 0.00 H new ATOM 0 HH21 ARG A 143 29.639 -7.410 -8.767 1.00 0.00 H new ATOM 0 HH22 ARG A 143 28.853 -8.992 -8.742 1.00 0.00 H new ATOM 128 N MET A 144 29.074 -1.618 -9.058 1.00 0.00 N ATOM 129 CA MET A 144 30.367 -1.179 -8.544 1.00 0.00 C ATOM 130 C MET A 144 30.340 0.315 -8.237 1.00 0.00 C ATOM 131 O MET A 144 30.909 0.765 -7.242 1.00 0.00 O ATOM 132 CB MET A 144 31.464 -1.472 -9.568 1.00 0.00 C ATOM 133 CG MET A 144 32.819 -1.039 -9.003 1.00 0.00 C ATOM 134 SD MET A 144 34.125 -1.443 -10.190 1.00 0.00 S ATOM 135 CE MET A 144 33.655 -0.244 -11.461 1.00 0.00 C ATOM 0 H MET A 144 29.098 -1.997 -10.005 1.00 0.00 H new ATOM 0 HA MET A 144 30.576 -1.725 -7.624 1.00 0.00 H new ATOM 0 HB2 MET A 144 31.480 -2.536 -9.805 1.00 0.00 H new ATOM 0 HB3 MET A 144 31.259 -0.941 -10.498 1.00 0.00 H new ATOM 0 HG2 MET A 144 32.815 0.032 -8.801 1.00 0.00 H new ATOM 0 HG3 MET A 144 33.007 -1.542 -8.054 1.00 0.00 H new ATOM 0 HE1 MET A 144 34.534 0.033 -12.043 1.00 0.00 H new ATOM 0 HE2 MET A 144 32.908 -0.686 -12.120 1.00 0.00 H new ATOM 0 HE3 MET A 144 33.239 0.645 -10.987 1.00 0.00 H new ATOM 145 N ILE A 145 29.674 1.079 -9.096 1.00 0.00 N ATOM 146 CA ILE A 145 29.574 2.521 -8.904 1.00 0.00 C ATOM 147 C ILE A 145 28.814 2.838 -7.620 1.00 0.00 C ATOM 148 O ILE A 145 29.213 3.711 -6.850 1.00 0.00 O ATOM 149 CB ILE A 145 28.858 3.160 -10.095 1.00 0.00 C ATOM 150 CG1 ILE A 145 29.760 3.085 -11.329 1.00 0.00 C ATOM 151 CG2 ILE A 145 28.547 4.624 -9.779 1.00 0.00 C ATOM 152 CD1 ILE A 145 30.737 4.263 -11.319 1.00 0.00 C ATOM 0 H ILE A 145 29.198 0.727 -9.927 1.00 0.00 H new ATOM 0 HA ILE A 145 30.582 2.929 -8.827 1.00 0.00 H new ATOM 0 HB ILE A 145 27.928 2.626 -10.290 1.00 0.00 H new ATOM 0 HG12 ILE A 145 30.309 2.143 -11.335 1.00 0.00 H new ATOM 0 HG13 ILE A 145 29.156 3.107 -12.236 1.00 0.00 H new ATOM 0 HG21 ILE A 145 28.037 5.079 -10.628 1.00 0.00 H new ATOM 0 HG22 ILE A 145 27.906 4.678 -8.899 1.00 0.00 H new ATOM 0 HG23 ILE A 145 29.476 5.160 -9.585 1.00 0.00 H new ATOM 0 HD11 ILE A 145 31.380 4.210 -12.198 1.00 0.00 H new ATOM 0 HD12 ILE A 145 30.179 5.199 -11.334 1.00 0.00 H new ATOM 0 HD13 ILE A 145 31.349 4.220 -10.418 1.00 0.00 H new ATOM 164 N LYS A 146 27.717 2.120 -7.396 1.00 0.00 N ATOM 165 CA LYS A 146 26.906 2.337 -6.204 1.00 0.00 C ATOM 166 C LYS A 146 27.694 1.975 -4.949 1.00 0.00 C ATOM 167 O LYS A 146 27.716 2.732 -3.978 1.00 0.00 O ATOM 168 CB LYS A 146 25.635 1.487 -6.273 1.00 0.00 C ATOM 169 CG LYS A 146 24.763 1.772 -5.050 1.00 0.00 C ATOM 170 CD LYS A 146 23.474 0.952 -5.139 1.00 0.00 C ATOM 171 CE LYS A 146 22.586 1.263 -3.933 1.00 0.00 C ATOM 172 NZ LYS A 146 23.203 0.690 -2.702 1.00 0.00 N ATOM 0 H LYS A 146 27.372 1.389 -8.019 1.00 0.00 H new ATOM 0 HA LYS A 146 26.634 3.392 -6.159 1.00 0.00 H new ATOM 0 HB2 LYS A 146 25.084 1.712 -7.186 1.00 0.00 H new ATOM 0 HB3 LYS A 146 25.894 0.429 -6.309 1.00 0.00 H new ATOM 0 HG2 LYS A 146 25.304 1.520 -4.138 1.00 0.00 H new ATOM 0 HG3 LYS A 146 24.527 2.835 -4.998 1.00 0.00 H new ATOM 0 HD2 LYS A 146 22.945 1.186 -6.063 1.00 0.00 H new ATOM 0 HD3 LYS A 146 23.709 -0.112 -5.166 1.00 0.00 H new ATOM 0 HE2 LYS A 146 22.466 2.341 -3.825 1.00 0.00 H new ATOM 0 HE3 LYS A 146 21.591 0.844 -4.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 22.504 0.688 -1.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 23.513 -0.285 -2.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 24.023 1.267 -2.424 1.00 0.00 H new ATOM 186 N GLN A 147 28.342 0.815 -4.978 1.00 0.00 N ATOM 187 CA GLN A 147 29.126 0.361 -3.835 1.00 0.00 C ATOM 188 C GLN A 147 30.312 1.290 -3.599 1.00 0.00 C ATOM 189 O GLN A 147 30.677 1.569 -2.457 1.00 0.00 O ATOM 190 CB GLN A 147 29.630 -1.063 -4.078 1.00 0.00 C ATOM 191 CG GLN A 147 28.449 -2.036 -4.042 1.00 0.00 C ATOM 192 CD GLN A 147 28.930 -3.450 -4.345 1.00 0.00 C ATOM 193 OE1 GLN A 147 29.502 -3.698 -5.406 1.00 0.00 O ATOM 194 NE2 GLN A 147 28.731 -4.399 -3.470 1.00 0.00 N ATOM 0 H GLN A 147 28.340 0.177 -5.774 1.00 0.00 H new ATOM 0 HA GLN A 147 28.487 0.372 -2.952 1.00 0.00 H new ATOM 0 HB2 GLN A 147 30.134 -1.122 -5.043 1.00 0.00 H new ATOM 0 HB3 GLN A 147 30.363 -1.335 -3.318 1.00 0.00 H new ATOM 0 HG2 GLN A 147 27.973 -2.007 -3.062 1.00 0.00 H new ATOM 0 HG3 GLN A 147 27.697 -1.735 -4.771 1.00 0.00 H new ATOM 0 HE21 GLN A 147 28.257 -4.191 -2.591 1.00 0.00 H new ATOM 0 HE22 GLN A 147 29.050 -5.348 -3.665 1.00 0.00 H new ATOM 203 N LEU A 148 30.909 1.768 -4.687 1.00 0.00 N ATOM 204 CA LEU A 148 32.057 2.660 -4.586 1.00 0.00 C ATOM 205 C LEU A 148 31.655 3.975 -3.931 1.00 0.00 C ATOM 206 O LEU A 148 32.386 4.517 -3.100 1.00 0.00 O ATOM 207 CB LEU A 148 32.628 2.936 -5.979 1.00 0.00 C ATOM 208 CG LEU A 148 33.840 3.861 -5.861 1.00 0.00 C ATOM 209 CD1 LEU A 148 34.893 3.212 -4.961 1.00 0.00 C ATOM 210 CD2 LEU A 148 34.435 4.099 -7.250 1.00 0.00 C ATOM 0 H LEU A 148 30.619 1.554 -5.641 1.00 0.00 H new ATOM 0 HA LEU A 148 32.816 2.177 -3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 148 32.917 2.000 -6.457 1.00 0.00 H new ATOM 0 HB3 LEU A 148 31.867 3.395 -6.611 1.00 0.00 H new ATOM 0 HG LEU A 148 33.530 4.812 -5.429 1.00 0.00 H new ATOM 0 HD11 LEU A 148 35.757 3.872 -4.877 1.00 0.00 H new ATOM 0 HD12 LEU A 148 34.470 3.041 -3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 148 35.204 2.260 -5.392 1.00 0.00 H new ATOM 0 HD21 LEU A 148 35.299 4.758 -7.168 1.00 0.00 H new ATOM 0 HD22 LEU A 148 34.745 3.147 -7.681 1.00 0.00 H new ATOM 0 HD23 LEU A 148 33.686 4.562 -7.892 1.00 0.00 H new ATOM 222 N LYS A 149 30.487 4.486 -4.308 1.00 0.00 N ATOM 223 CA LYS A 149 30.004 5.748 -3.762 1.00 0.00 C ATOM 224 C LYS A 149 29.889 5.663 -2.243 1.00 0.00 C ATOM 225 O LYS A 149 30.081 6.655 -1.540 1.00 0.00 O ATOM 226 CB LYS A 149 28.638 6.088 -4.361 1.00 0.00 C ATOM 227 CG LYS A 149 28.821 6.609 -5.788 1.00 0.00 C ATOM 228 CD LYS A 149 27.452 6.777 -6.450 1.00 0.00 C ATOM 229 CE LYS A 149 26.799 8.068 -5.953 1.00 0.00 C ATOM 230 NZ LYS A 149 25.549 8.320 -6.724 1.00 0.00 N ATOM 0 H LYS A 149 29.862 4.049 -4.985 1.00 0.00 H new ATOM 0 HA LYS A 149 30.717 6.531 -4.019 1.00 0.00 H new ATOM 0 HB2 LYS A 149 28.000 5.204 -4.364 1.00 0.00 H new ATOM 0 HB3 LYS A 149 28.138 6.839 -3.750 1.00 0.00 H new ATOM 0 HG2 LYS A 149 29.349 7.562 -5.773 1.00 0.00 H new ATOM 0 HG3 LYS A 149 29.433 5.915 -6.364 1.00 0.00 H new ATOM 0 HD2 LYS A 149 27.562 6.807 -7.534 1.00 0.00 H new ATOM 0 HD3 LYS A 149 26.816 5.923 -6.217 1.00 0.00 H new ATOM 0 HE2 LYS A 149 26.573 7.988 -4.890 1.00 0.00 H new ATOM 0 HE3 LYS A 149 27.487 8.905 -6.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 25.104 9.198 -6.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 25.777 8.413 -7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 24.892 7.525 -6.590 1.00 0.00 H new ATOM 244 N GLU A 150 29.575 4.472 -1.745 1.00 0.00 N ATOM 245 CA GLU A 150 29.426 4.272 -0.308 1.00 0.00 C ATOM 246 C GLU A 150 30.754 4.509 0.403 1.00 0.00 C ATOM 247 O GLU A 150 30.816 5.230 1.399 1.00 0.00 O ATOM 248 CB GLU A 150 28.940 2.849 -0.027 1.00 0.00 C ATOM 249 CG GLU A 150 27.508 2.687 -0.540 1.00 0.00 C ATOM 250 CD GLU A 150 27.040 1.250 -0.336 1.00 0.00 C ATOM 251 OE1 GLU A 150 27.783 0.484 0.256 1.00 0.00 O ATOM 252 OE2 GLU A 150 25.945 0.937 -0.772 1.00 0.00 O ATOM 0 H GLU A 150 29.420 3.637 -2.310 1.00 0.00 H new ATOM 0 HA GLU A 150 28.693 4.986 0.067 1.00 0.00 H new ATOM 0 HB2 GLU A 150 29.596 2.127 -0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 150 28.979 2.645 1.043 1.00 0.00 H new ATOM 0 HG2 GLU A 150 26.844 3.373 -0.013 1.00 0.00 H new ATOM 0 HG3 GLU A 150 27.460 2.947 -1.597 1.00 0.00 H new ATOM 259 N GLU A 151 31.814 3.897 -0.115 1.00 0.00 N ATOM 260 CA GLU A 151 33.137 4.052 0.477 1.00 0.00 C ATOM 261 C GLU A 151 33.559 5.517 0.466 1.00 0.00 C ATOM 262 O GLU A 151 34.247 5.982 1.376 1.00 0.00 O ATOM 263 CB GLU A 151 34.159 3.219 -0.300 1.00 0.00 C ATOM 264 CG GLU A 151 33.873 1.731 -0.087 1.00 0.00 C ATOM 265 CD GLU A 151 34.086 1.365 1.378 1.00 0.00 C ATOM 266 OE1 GLU A 151 35.146 1.671 1.897 1.00 0.00 O ATOM 267 OE2 GLU A 151 33.183 0.784 1.960 1.00 0.00 O ATOM 0 H GLU A 151 31.783 3.294 -0.937 1.00 0.00 H new ATOM 0 HA GLU A 151 33.096 3.704 1.509 1.00 0.00 H new ATOM 0 HB2 GLU A 151 34.110 3.461 -1.362 1.00 0.00 H new ATOM 0 HB3 GLU A 151 35.168 3.458 0.035 1.00 0.00 H new ATOM 0 HG2 GLU A 151 32.849 1.503 -0.382 1.00 0.00 H new ATOM 0 HG3 GLU A 151 34.528 1.132 -0.719 1.00 0.00 H new ATOM 274 N LEU A 152 33.140 6.241 -0.567 1.00 0.00 N ATOM 275 CA LEU A 152 33.493 7.650 -0.693 1.00 0.00 C ATOM 276 C LEU A 152 32.983 8.437 0.509 1.00 0.00 C ATOM 277 O LEU A 152 33.670 9.321 1.021 1.00 0.00 O ATOM 278 CB LEU A 152 32.890 8.227 -1.976 1.00 0.00 C ATOM 279 CG LEU A 152 33.918 8.140 -3.106 1.00 0.00 C ATOM 280 CD1 LEU A 152 35.011 9.187 -2.883 1.00 0.00 C ATOM 281 CD2 LEU A 152 34.544 6.744 -3.118 1.00 0.00 C ATOM 0 H LEU A 152 32.560 5.878 -1.324 1.00 0.00 H new ATOM 0 HA LEU A 152 34.579 7.732 -0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 152 31.989 7.677 -2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 152 32.595 9.264 -1.817 1.00 0.00 H new ATOM 0 HG LEU A 152 33.426 8.326 -4.061 1.00 0.00 H new ATOM 0 HD11 LEU A 152 35.744 9.125 -3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 152 34.565 10.182 -2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 152 35.504 9.001 -1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 152 35.277 6.681 -3.923 1.00 0.00 H new ATOM 0 HD22 LEU A 152 35.036 6.558 -2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 152 33.766 5.998 -3.276 1.00 0.00 H new ATOM 293 N ARG A 153 31.775 8.110 0.957 1.00 0.00 N ATOM 294 CA ARG A 153 31.181 8.797 2.098 1.00 0.00 C ATOM 295 C ARG A 153 32.014 8.561 3.354 1.00 0.00 C ATOM 296 O ARG A 153 32.296 9.493 4.107 1.00 0.00 O ATOM 297 CB ARG A 153 29.754 8.293 2.326 1.00 0.00 C ATOM 298 CG ARG A 153 29.111 9.084 3.468 1.00 0.00 C ATOM 299 CD ARG A 153 27.690 8.570 3.707 1.00 0.00 C ATOM 300 NE ARG A 153 27.001 9.423 4.668 1.00 0.00 N ATOM 301 CZ ARG A 153 25.885 9.021 5.267 1.00 0.00 C ATOM 302 NH1 ARG A 153 25.387 7.844 4.998 1.00 0.00 N ATOM 303 NH2 ARG A 153 25.284 9.802 6.122 1.00 0.00 N ATOM 0 H ARG A 153 31.192 7.379 0.551 1.00 0.00 H new ATOM 0 HA ARG A 153 31.158 9.866 1.885 1.00 0.00 H new ATOM 0 HB2 ARG A 153 29.167 8.406 1.415 1.00 0.00 H new ATOM 0 HB3 ARG A 153 29.766 7.230 2.567 1.00 0.00 H new ATOM 0 HG2 ARG A 153 29.705 8.980 4.376 1.00 0.00 H new ATOM 0 HG3 ARG A 153 29.089 10.146 3.222 1.00 0.00 H new ATOM 0 HD2 ARG A 153 27.139 8.551 2.766 1.00 0.00 H new ATOM 0 HD3 ARG A 153 27.724 7.545 4.078 1.00 0.00 H new ATOM 0 HE ARG A 153 27.382 10.344 4.884 1.00 0.00 H new ATOM 0 HH11 ARG A 153 25.855 7.233 4.328 1.00 0.00 H new ATOM 0 HH12 ARG A 153 24.530 7.535 5.458 1.00 0.00 H new ATOM 0 HH21 ARG A 153 25.671 10.722 6.331 1.00 0.00 H new ATOM 0 HH22 ARG A 153 24.427 9.492 6.581 1.00 0.00 H new ATOM 317 N LEU A 154 32.404 7.310 3.572 1.00 0.00 N ATOM 318 CA LEU A 154 33.207 6.963 4.739 1.00 0.00 C ATOM 319 C LEU A 154 34.619 7.527 4.602 1.00 0.00 C ATOM 320 O LEU A 154 35.201 8.012 5.571 1.00 0.00 O ATOM 321 CB LEU A 154 33.276 5.443 4.894 1.00 0.00 C ATOM 322 CG LEU A 154 31.880 4.898 5.202 1.00 0.00 C ATOM 323 CD1 LEU A 154 31.922 3.369 5.221 1.00 0.00 C ATOM 324 CD2 LEU A 154 31.423 5.411 6.569 1.00 0.00 C ATOM 0 H LEU A 154 32.179 6.525 2.961 1.00 0.00 H new ATOM 0 HA LEU A 154 32.737 7.396 5.622 1.00 0.00 H new ATOM 0 HB2 LEU A 154 33.661 4.991 3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 154 33.966 5.179 5.696 1.00 0.00 H new ATOM 0 HG LEU A 154 31.182 5.233 4.435 1.00 0.00 H new ATOM 0 HD11 LEU A 154 30.928 2.980 5.440 1.00 0.00 H new ATOM 0 HD12 LEU A 154 32.249 3.002 4.248 1.00 0.00 H new ATOM 0 HD13 LEU A 154 32.620 3.034 5.988 1.00 0.00 H new ATOM 0 HD21 LEU A 154 30.428 5.023 6.789 1.00 0.00 H new ATOM 0 HD22 LEU A 154 32.121 5.075 7.336 1.00 0.00 H new ATOM 0 HD23 LEU A 154 31.393 6.501 6.557 1.00 0.00 H new ATOM 336 N GLU A 155 35.161 7.459 3.390 1.00 0.00 N ATOM 337 CA GLU A 155 36.507 7.958 3.138 1.00 0.00 C ATOM 338 C GLU A 155 36.569 9.465 3.369 1.00 0.00 C ATOM 339 O GLU A 155 37.527 9.975 3.950 1.00 0.00 O ATOM 340 CB GLU A 155 36.920 7.643 1.699 1.00 0.00 C ATOM 341 CG GLU A 155 37.265 6.158 1.580 1.00 0.00 C ATOM 342 CD GLU A 155 37.528 5.798 0.123 1.00 0.00 C ATOM 343 OE1 GLU A 155 37.524 6.699 -0.699 1.00 0.00 O ATOM 344 OE2 GLU A 155 37.728 4.626 -0.151 1.00 0.00 O ATOM 0 H GLU A 155 34.693 7.066 2.573 1.00 0.00 H new ATOM 0 HA GLU A 155 37.193 7.466 3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 155 36.111 7.895 1.014 1.00 0.00 H new ATOM 0 HB3 GLU A 155 37.779 8.251 1.415 1.00 0.00 H new ATOM 0 HG2 GLU A 155 38.144 5.931 2.183 1.00 0.00 H new ATOM 0 HG3 GLU A 155 36.446 5.554 1.970 1.00 0.00 H new ATOM 351 N GLU A 156 35.540 10.171 2.911 1.00 0.00 N ATOM 352 CA GLU A 156 35.486 11.618 3.075 1.00 0.00 C ATOM 353 C GLU A 156 35.192 11.979 4.528 1.00 0.00 C ATOM 354 O GLU A 156 35.808 12.885 5.090 1.00 0.00 O ATOM 355 CB GLU A 156 34.402 12.207 2.171 1.00 0.00 C ATOM 356 CG GLU A 156 34.838 12.093 0.709 1.00 0.00 C ATOM 357 CD GLU A 156 33.723 12.584 -0.207 1.00 0.00 C ATOM 358 OE1 GLU A 156 32.684 12.964 0.307 1.00 0.00 O ATOM 359 OE2 GLU A 156 33.924 12.572 -1.411 1.00 0.00 O ATOM 0 H GLU A 156 34.738 9.768 2.427 1.00 0.00 H new ATOM 0 HA GLU A 156 36.454 12.034 2.796 1.00 0.00 H new ATOM 0 HB2 GLU A 156 33.461 11.679 2.323 1.00 0.00 H new ATOM 0 HB3 GLU A 156 34.227 13.251 2.429 1.00 0.00 H new ATOM 0 HG2 GLU A 156 35.741 12.680 0.543 1.00 0.00 H new ATOM 0 HG3 GLU A 156 35.084 11.057 0.474 1.00 0.00 H new ATOM 366 N ALA A 157 34.247 11.265 5.129 1.00 0.00 N ATOM 367 CA ALA A 157 33.882 11.515 6.519 1.00 0.00 C ATOM 368 C ALA A 157 35.125 11.532 7.403 1.00 0.00 C ATOM 369 O ALA A 157 35.357 12.485 8.147 1.00 0.00 O ATOM 370 CB ALA A 157 32.919 10.433 7.010 1.00 0.00 C ATOM 0 H ALA A 157 33.723 10.514 4.680 1.00 0.00 H new ATOM 0 HA ALA A 157 33.394 12.488 6.578 1.00 0.00 H new ATOM 0 HB1 ALA A 157 32.652 10.628 8.049 1.00 0.00 H new ATOM 0 HB2 ALA A 157 32.018 10.442 6.396 1.00 0.00 H new ATOM 0 HB3 ALA A 157 33.399 9.457 6.936 1.00 0.00 H new ATOM 376 N LYS A 158 35.922 10.472 7.315 1.00 0.00 N ATOM 377 CA LYS A 158 37.139 10.376 8.111 1.00 0.00 C ATOM 378 C LYS A 158 38.090 11.520 7.774 1.00 0.00 C ATOM 379 O LYS A 158 38.743 12.078 8.655 1.00 0.00 O ATOM 380 CB LYS A 158 37.833 9.038 7.847 1.00 0.00 C ATOM 381 CG LYS A 158 36.991 7.902 8.430 1.00 0.00 C ATOM 382 CD LYS A 158 37.679 6.563 8.155 1.00 0.00 C ATOM 383 CE LYS A 158 36.833 5.427 8.731 1.00 0.00 C ATOM 384 NZ LYS A 158 36.956 5.418 10.217 1.00 0.00 N ATOM 0 H LYS A 158 35.748 9.673 6.705 1.00 0.00 H new ATOM 0 HA LYS A 158 36.868 10.442 9.165 1.00 0.00 H new ATOM 0 HB2 LYS A 158 37.968 8.892 6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 158 38.826 9.036 8.297 1.00 0.00 H new ATOM 0 HG2 LYS A 158 36.863 8.044 9.503 1.00 0.00 H new ATOM 0 HG3 LYS A 158 35.995 7.909 7.987 1.00 0.00 H new ATOM 0 HD2 LYS A 158 37.812 6.424 7.082 1.00 0.00 H new ATOM 0 HD3 LYS A 158 38.673 6.554 8.603 1.00 0.00 H new ATOM 0 HE2 LYS A 158 35.790 5.555 8.443 1.00 0.00 H new ATOM 0 HE3 LYS A 158 37.162 4.471 8.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 36.538 4.544 10.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 37.960 5.464 10.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 36.455 6.240 10.612 1.00 0.00 H new ATOM 398 N LEU A 159 38.161 11.865 6.491 1.00 0.00 N ATOM 399 CA LEU A 159 39.035 12.944 6.049 1.00 0.00 C ATOM 400 C LEU A 159 38.666 14.250 6.745 1.00 0.00 C ATOM 401 O LEU A 159 39.526 14.933 7.302 1.00 0.00 O ATOM 402 CB LEU A 159 38.922 13.122 4.534 1.00 0.00 C ATOM 403 CG LEU A 159 39.817 14.278 4.086 1.00 0.00 C ATOM 404 CD1 LEU A 159 41.267 13.984 4.475 1.00 0.00 C ATOM 405 CD2 LEU A 159 39.720 14.438 2.567 1.00 0.00 C ATOM 0 H LEU A 159 37.628 11.416 5.746 1.00 0.00 H new ATOM 0 HA LEU A 159 40.061 12.684 6.308 1.00 0.00 H new ATOM 0 HB2 LEU A 159 39.216 12.203 4.027 1.00 0.00 H new ATOM 0 HB3 LEU A 159 37.887 13.322 4.257 1.00 0.00 H new ATOM 0 HG LEU A 159 39.491 15.198 4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 159 41.904 14.809 4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 159 41.337 13.870 5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 159 41.594 13.064 3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 159 40.358 15.262 2.246 1.00 0.00 H new ATOM 0 HD22 LEU A 159 40.046 13.517 2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 159 38.687 14.649 2.289 1.00 0.00 H new ATOM 417 N VAL A 160 37.382 14.591 6.710 1.00 0.00 N ATOM 418 CA VAL A 160 36.907 15.808 7.357 1.00 0.00 C ATOM 419 C VAL A 160 37.200 15.769 8.852 1.00 0.00 C ATOM 420 O VAL A 160 37.623 16.764 9.439 1.00 0.00 O ATOM 421 CB VAL A 160 35.402 15.966 7.133 1.00 0.00 C ATOM 422 CG1 VAL A 160 34.869 17.095 8.016 1.00 0.00 C ATOM 423 CG2 VAL A 160 35.137 16.302 5.664 1.00 0.00 C ATOM 0 H VAL A 160 36.657 14.046 6.244 1.00 0.00 H new ATOM 0 HA VAL A 160 37.430 16.658 6.918 1.00 0.00 H new ATOM 0 HB VAL A 160 34.898 15.034 7.391 1.00 0.00 H new ATOM 0 HG11 VAL A 160 33.797 17.207 7.856 1.00 0.00 H new ATOM 0 HG12 VAL A 160 35.057 16.857 9.063 1.00 0.00 H new ATOM 0 HG13 VAL A 160 35.373 18.027 7.759 1.00 0.00 H new ATOM 0 HG21 VAL A 160 34.065 16.415 5.504 1.00 0.00 H new ATOM 0 HG22 VAL A 160 35.642 17.233 5.407 1.00 0.00 H new ATOM 0 HG23 VAL A 160 35.515 15.498 5.033 1.00 0.00 H new ATOM 433 N LEU A 161 36.973 14.610 9.464 1.00 0.00 N ATOM 434 CA LEU A 161 37.215 14.451 10.893 1.00 0.00 C ATOM 435 C LEU A 161 38.689 14.677 11.212 1.00 0.00 C ATOM 436 O LEU A 161 39.027 15.377 12.167 1.00 0.00 O ATOM 437 CB LEU A 161 36.802 13.048 11.340 1.00 0.00 C ATOM 438 CG LEU A 161 37.088 12.882 12.833 1.00 0.00 C ATOM 439 CD1 LEU A 161 36.313 13.939 13.622 1.00 0.00 C ATOM 440 CD2 LEU A 161 36.648 11.487 13.284 1.00 0.00 C ATOM 0 H LEU A 161 36.624 13.773 8.996 1.00 0.00 H new ATOM 0 HA LEU A 161 36.621 15.191 11.429 1.00 0.00 H new ATOM 0 HB2 LEU A 161 35.742 12.889 11.142 1.00 0.00 H new ATOM 0 HB3 LEU A 161 37.348 12.297 10.769 1.00 0.00 H new ATOM 0 HG LEU A 161 38.156 13.004 13.014 1.00 0.00 H new ATOM 0 HD11 LEU A 161 36.517 13.821 14.686 1.00 0.00 H new ATOM 0 HD12 LEU A 161 36.624 14.933 13.301 1.00 0.00 H new ATOM 0 HD13 LEU A 161 35.245 13.817 13.441 1.00 0.00 H new ATOM 0 HD21 LEU A 161 36.851 11.368 14.348 1.00 0.00 H new ATOM 0 HD22 LEU A 161 35.580 11.366 13.103 1.00 0.00 H new ATOM 0 HD23 LEU A 161 37.199 10.732 12.722 1.00 0.00 H new ATOM 452 N LEU A 162 39.562 14.079 10.407 1.00 0.00 N ATOM 453 CA LEU A 162 40.998 14.221 10.614 1.00 0.00 C ATOM 454 C LEU A 162 41.407 15.687 10.526 1.00 0.00 C ATOM 455 O LEU A 162 42.244 16.156 11.299 1.00 0.00 O ATOM 456 CB LEU A 162 41.760 13.413 9.561 1.00 0.00 C ATOM 457 CG LEU A 162 41.586 11.919 9.839 1.00 0.00 C ATOM 458 CD1 LEU A 162 42.140 11.113 8.664 1.00 0.00 C ATOM 459 CD2 LEU A 162 42.348 11.548 11.114 1.00 0.00 C ATOM 0 H LEU A 162 39.302 13.496 9.611 1.00 0.00 H new ATOM 0 HA LEU A 162 41.243 13.845 11.607 1.00 0.00 H new ATOM 0 HB2 LEU A 162 41.390 13.654 8.565 1.00 0.00 H new ATOM 0 HB3 LEU A 162 42.818 13.676 9.580 1.00 0.00 H new ATOM 0 HG LEU A 162 40.527 11.694 9.967 1.00 0.00 H new ATOM 0 HD11 LEU A 162 42.016 10.048 8.862 1.00 0.00 H new ATOM 0 HD12 LEU A 162 41.601 11.378 7.755 1.00 0.00 H new ATOM 0 HD13 LEU A 162 43.199 11.337 8.536 1.00 0.00 H new ATOM 0 HD21 LEU A 162 42.226 10.484 11.314 1.00 0.00 H new ATOM 0 HD22 LEU A 162 43.406 11.773 10.984 1.00 0.00 H new ATOM 0 HD23 LEU A 162 41.955 12.123 11.953 1.00 0.00 H new ATOM 471 N LYS A 163 40.811 16.407 9.581 1.00 0.00 N ATOM 472 CA LYS A 163 41.119 17.821 9.402 1.00 0.00 C ATOM 473 C LYS A 163 40.806 18.600 10.675 1.00 0.00 C ATOM 474 O LYS A 163 41.620 19.396 11.144 1.00 0.00 O ATOM 475 CB LYS A 163 40.303 18.390 8.239 1.00 0.00 C ATOM 476 CG LYS A 163 40.703 19.848 8.002 1.00 0.00 C ATOM 477 CD LYS A 163 39.915 20.406 6.814 1.00 0.00 C ATOM 478 CE LYS A 163 40.328 21.857 6.563 1.00 0.00 C ATOM 479 NZ LYS A 163 39.584 22.389 5.387 1.00 0.00 N ATOM 0 H LYS A 163 40.117 16.038 8.931 1.00 0.00 H new ATOM 0 HA LYS A 163 42.182 17.918 9.181 1.00 0.00 H new ATOM 0 HB2 LYS A 163 40.476 17.803 7.337 1.00 0.00 H new ATOM 0 HB3 LYS A 163 39.238 18.325 8.462 1.00 0.00 H new ATOM 0 HG2 LYS A 163 40.504 20.441 8.895 1.00 0.00 H new ATOM 0 HG3 LYS A 163 41.773 19.916 7.806 1.00 0.00 H new ATOM 0 HD2 LYS A 163 40.103 19.804 5.925 1.00 0.00 H new ATOM 0 HD3 LYS A 163 38.845 20.351 7.016 1.00 0.00 H new ATOM 0 HE2 LYS A 163 40.118 22.464 7.444 1.00 0.00 H new ATOM 0 HE3 LYS A 163 41.402 21.915 6.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 39.865 23.376 5.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 39.805 21.816 4.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 38.562 22.347 5.575 1.00 0.00 H new ATOM 493 N LYS A 164 39.622 18.365 11.231 1.00 0.00 N ATOM 494 CA LYS A 164 39.216 19.041 12.457 1.00 0.00 C ATOM 495 C LYS A 164 40.139 18.656 13.609 1.00 0.00 C ATOM 496 O LYS A 164 40.523 19.501 14.419 1.00 0.00 O ATOM 497 CB LYS A 164 37.775 18.668 12.808 1.00 0.00 C ATOM 498 CG LYS A 164 36.842 19.117 11.681 1.00 0.00 C ATOM 499 CD LYS A 164 36.613 20.626 11.778 1.00 0.00 C ATOM 500 CE LYS A 164 35.576 21.054 10.737 1.00 0.00 C ATOM 501 NZ LYS A 164 35.310 22.514 10.873 1.00 0.00 N ATOM 0 H LYS A 164 38.931 17.716 10.855 1.00 0.00 H new ATOM 0 HA LYS A 164 39.282 20.117 12.296 1.00 0.00 H new ATOM 0 HB2 LYS A 164 37.693 17.591 12.955 1.00 0.00 H new ATOM 0 HB3 LYS A 164 37.484 19.141 13.746 1.00 0.00 H new ATOM 0 HG2 LYS A 164 37.276 18.866 10.713 1.00 0.00 H new ATOM 0 HG3 LYS A 164 35.891 18.589 11.750 1.00 0.00 H new ATOM 0 HD2 LYS A 164 36.269 20.889 12.778 1.00 0.00 H new ATOM 0 HD3 LYS A 164 37.550 21.158 11.613 1.00 0.00 H new ATOM 0 HE2 LYS A 164 35.939 20.831 9.734 1.00 0.00 H new ATOM 0 HE3 LYS A 164 34.653 20.491 10.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 34.605 22.806 10.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 34.946 22.713 11.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 36.192 23.043 10.721 1.00 0.00 H new ATOM 515 N LEU A 165 40.490 17.377 13.676 1.00 0.00 N ATOM 516 CA LEU A 165 41.372 16.892 14.731 1.00 0.00 C ATOM 517 C LEU A 165 42.748 17.540 14.618 1.00 0.00 C ATOM 518 O LEU A 165 43.344 17.934 15.620 1.00 0.00 O ATOM 519 CB LEU A 165 41.514 15.371 14.636 1.00 0.00 C ATOM 520 CG LEU A 165 40.184 14.710 15.005 1.00 0.00 C ATOM 521 CD1 LEU A 165 40.265 13.209 14.728 1.00 0.00 C ATOM 522 CD2 LEU A 165 39.896 14.939 16.490 1.00 0.00 C ATOM 0 H LEU A 165 40.180 16.662 13.018 1.00 0.00 H new ATOM 0 HA LEU A 165 40.935 17.157 15.694 1.00 0.00 H new ATOM 0 HB2 LEU A 165 41.807 15.085 13.626 1.00 0.00 H new ATOM 0 HB3 LEU A 165 42.302 15.026 15.306 1.00 0.00 H new ATOM 0 HG LEU A 165 39.384 15.147 14.407 1.00 0.00 H new ATOM 0 HD11 LEU A 165 39.317 12.739 14.991 1.00 0.00 H new ATOM 0 HD12 LEU A 165 40.470 13.045 13.670 1.00 0.00 H new ATOM 0 HD13 LEU A 165 41.065 12.771 15.325 1.00 0.00 H new ATOM 0 HD21 LEU A 165 38.949 14.469 16.754 1.00 0.00 H new ATOM 0 HD22 LEU A 165 40.697 14.503 17.087 1.00 0.00 H new ATOM 0 HD23 LEU A 165 39.837 16.009 16.688 1.00 0.00 H new ATOM 534 N ARG A 166 43.246 17.646 13.391 1.00 0.00 N ATOM 535 CA ARG A 166 44.554 18.247 13.156 1.00 0.00 C ATOM 536 C ARG A 166 44.544 19.720 13.550 1.00 0.00 C ATOM 537 O ARG A 166 45.471 20.205 14.198 1.00 0.00 O ATOM 538 CB ARG A 166 44.931 18.113 11.679 1.00 0.00 C ATOM 539 CG ARG A 166 46.337 18.675 11.458 1.00 0.00 C ATOM 540 CD ARG A 166 46.712 18.542 9.981 1.00 0.00 C ATOM 541 NE ARG A 166 48.101 18.935 9.775 1.00 0.00 N ATOM 542 CZ ARG A 166 48.581 19.150 8.554 1.00 0.00 C ATOM 543 NH1 ARG A 166 47.805 19.009 7.515 1.00 0.00 N ATOM 544 NH2 ARG A 166 49.827 19.501 8.396 1.00 0.00 N ATOM 0 H ARG A 166 42.768 17.326 12.549 1.00 0.00 H new ATOM 0 HA ARG A 166 45.290 17.725 13.767 1.00 0.00 H new ATOM 0 HB2 ARG A 166 44.895 17.066 11.377 1.00 0.00 H new ATOM 0 HB3 ARG A 166 44.212 18.649 11.059 1.00 0.00 H new ATOM 0 HG2 ARG A 166 46.374 19.721 11.761 1.00 0.00 H new ATOM 0 HG3 ARG A 166 47.056 18.138 12.077 1.00 0.00 H new ATOM 0 HD2 ARG A 166 46.565 17.513 9.653 1.00 0.00 H new ATOM 0 HD3 ARG A 166 46.056 19.167 9.374 1.00 0.00 H new ATOM 0 HE ARG A 166 48.715 19.047 10.582 1.00 0.00 H new ATOM 0 HH11 ARG A 166 46.831 18.734 7.640 1.00 0.00 H new ATOM 0 HH12 ARG A 166 48.172 19.174 6.578 1.00 0.00 H new ATOM 0 HH21 ARG A 166 50.433 19.610 9.209 1.00 0.00 H new ATOM 0 HH22 ARG A 166 50.196 19.666 7.459 1.00 0.00 H new ATOM 558 N GLN A 167 43.489 20.426 13.155 1.00 0.00 N ATOM 559 CA GLN A 167 43.371 21.845 13.469 1.00 0.00 C ATOM 560 C GLN A 167 43.246 22.051 14.975 1.00 0.00 C ATOM 561 O GLN A 167 43.571 23.118 15.495 1.00 0.00 O ATOM 562 CB GLN A 167 42.147 22.435 12.767 1.00 0.00 C ATOM 563 CG GLN A 167 42.048 23.929 13.084 1.00 0.00 C ATOM 564 CD GLN A 167 40.875 24.545 12.328 1.00 0.00 C ATOM 565 OE1 GLN A 167 40.359 23.944 11.385 1.00 0.00 O ATOM 566 NE2 GLN A 167 40.422 25.715 12.687 1.00 0.00 N ATOM 0 H GLN A 167 42.709 20.042 12.621 1.00 0.00 H new ATOM 0 HA GLN A 167 44.270 22.352 13.118 1.00 0.00 H new ATOM 0 HB2 GLN A 167 42.225 22.285 11.690 1.00 0.00 H new ATOM 0 HB3 GLN A 167 41.243 21.922 13.096 1.00 0.00 H new ATOM 0 HG2 GLN A 167 41.917 24.074 14.156 1.00 0.00 H new ATOM 0 HG3 GLN A 167 42.975 24.431 12.806 1.00 0.00 H new ATOM 0 HE21 GLN A 167 40.851 26.210 13.468 1.00 0.00 H new ATOM 0 HE22 GLN A 167 39.638 26.134 12.186 1.00 0.00 H new ATOM 575 N SER A 168 42.773 21.021 15.671 1.00 0.00 N ATOM 576 CA SER A 168 42.600 21.105 17.116 1.00 0.00 C ATOM 577 C SER A 168 43.948 21.286 17.806 1.00 0.00 C ATOM 578 O SER A 168 44.106 22.157 18.662 1.00 0.00 O ATOM 579 CB SER A 168 41.926 19.835 17.635 1.00 0.00 C ATOM 580 OG SER A 168 40.695 19.644 16.952 1.00 0.00 O ATOM 0 H SER A 168 42.505 20.126 15.261 1.00 0.00 H new ATOM 0 HA SER A 168 41.971 21.967 17.339 1.00 0.00 H new ATOM 0 HB2 SER A 168 42.578 18.975 17.481 1.00 0.00 H new ATOM 0 HB3 SER A 168 41.751 19.915 18.708 1.00 0.00 H new ATOM 0 HG SER A 168 40.869 19.276 16.060 1.00 0.00 H new ATOM 586 N GLN A 169 44.917 20.459 17.427 1.00 0.00 N ATOM 587 CA GLN A 169 46.249 20.537 18.018 1.00 0.00 C ATOM 588 C GLN A 169 46.883 21.894 17.731 1.00 0.00 C ATOM 589 O GLN A 169 47.925 22.234 18.290 1.00 0.00 O ATOM 590 CB GLN A 169 47.136 19.426 17.453 1.00 0.00 C ATOM 591 CG GLN A 169 46.637 18.069 17.954 1.00 0.00 C ATOM 592 CD GLN A 169 47.454 16.947 17.322 1.00 0.00 C ATOM 593 OE1 GLN A 169 47.455 16.790 16.102 1.00 0.00 O ATOM 594 NE2 GLN A 169 48.155 16.153 18.085 1.00 0.00 N ATOM 0 H GLN A 169 44.807 19.733 16.719 1.00 0.00 H new ATOM 0 HA GLN A 169 46.156 20.414 19.097 1.00 0.00 H new ATOM 0 HB2 GLN A 169 47.119 19.452 16.363 1.00 0.00 H new ATOM 0 HB3 GLN A 169 48.170 19.581 17.760 1.00 0.00 H new ATOM 0 HG2 GLN A 169 46.717 18.021 19.040 1.00 0.00 H new ATOM 0 HG3 GLN A 169 45.583 17.946 17.707 1.00 0.00 H new ATOM 0 HE21 GLN A 169 48.153 16.285 19.096 1.00 0.00 H new ATOM 0 HE22 GLN A 169 48.705 15.401 17.670 1.00 0.00 H new ATOM 823 N ILE B 214 48.980 10.738 17.264 1.00 0.00 N ATOM 824 CA ILE B 214 49.442 11.936 16.574 1.00 0.00 C ATOM 825 C ILE B 214 49.295 11.774 15.063 1.00 0.00 C ATOM 826 O ILE B 214 49.523 10.693 14.521 1.00 0.00 O ATOM 827 CB ILE B 214 50.906 12.207 16.920 1.00 0.00 C ATOM 828 CG1 ILE B 214 51.029 12.496 18.419 1.00 0.00 C ATOM 829 CG2 ILE B 214 51.404 13.416 16.127 1.00 0.00 C ATOM 830 CD1 ILE B 214 52.507 12.521 18.814 1.00 0.00 C ATOM 0 HA ILE B 214 48.831 12.778 16.899 1.00 0.00 H new ATOM 0 HB ILE B 214 51.507 11.334 16.665 1.00 0.00 H new ATOM 0 HG12 ILE B 214 50.562 13.452 18.655 1.00 0.00 H new ATOM 0 HG13 ILE B 214 50.501 11.733 18.992 1.00 0.00 H new ATOM 0 HG21 ILE B 214 52.448 13.608 16.374 1.00 0.00 H new ATOM 0 HG22 ILE B 214 51.316 13.213 15.060 1.00 0.00 H new ATOM 0 HG23 ILE B 214 50.804 14.290 16.381 1.00 0.00 H new ATOM 0 HD11 ILE B 214 52.595 12.727 19.881 1.00 0.00 H new ATOM 0 HD12 ILE B 214 52.959 11.554 18.592 1.00 0.00 H new ATOM 0 HD13 ILE B 214 53.021 13.300 18.251 1.00 0.00 H new ATOM 842 N VAL B 215 48.913 12.856 14.393 1.00 0.00 N ATOM 843 CA VAL B 215 48.750 12.825 12.944 1.00 0.00 C ATOM 844 C VAL B 215 49.918 13.527 12.257 1.00 0.00 C ATOM 845 O VAL B 215 50.353 14.595 12.688 1.00 0.00 O ATOM 846 CB VAL B 215 47.440 13.510 12.552 1.00 0.00 C ATOM 847 CG1 VAL B 215 47.313 13.534 11.028 1.00 0.00 C ATOM 848 CG2 VAL B 215 46.263 12.734 13.148 1.00 0.00 C ATOM 0 H VAL B 215 48.712 13.758 14.825 1.00 0.00 H new ATOM 0 HA VAL B 215 48.727 11.784 12.622 1.00 0.00 H new ATOM 0 HB VAL B 215 47.435 14.531 12.933 1.00 0.00 H new ATOM 0 HG11 VAL B 215 46.379 14.022 10.748 1.00 0.00 H new ATOM 0 HG12 VAL B 215 48.152 14.084 10.602 1.00 0.00 H new ATOM 0 HG13 VAL B 215 47.317 12.513 10.646 1.00 0.00 H new ATOM 0 HG21 VAL B 215 45.328 13.221 12.870 1.00 0.00 H new ATOM 0 HG22 VAL B 215 46.269 11.713 12.765 1.00 0.00 H new ATOM 0 HG23 VAL B 215 46.353 12.715 14.234 1.00 0.00 H new ATOM 858 N THR B 216 50.420 12.920 11.187 1.00 0.00 N ATOM 859 CA THR B 216 51.545 13.490 10.455 1.00 0.00 C ATOM 860 C THR B 216 51.056 14.223 9.209 1.00 0.00 C ATOM 861 O THR B 216 49.984 13.926 8.683 1.00 0.00 O ATOM 862 CB THR B 216 52.519 12.382 10.048 1.00 0.00 C ATOM 863 OG1 THR B 216 51.883 11.511 9.123 1.00 0.00 O ATOM 864 CG2 THR B 216 52.943 11.592 11.288 1.00 0.00 C ATOM 0 H THR B 216 50.069 12.040 10.809 1.00 0.00 H new ATOM 0 HA THR B 216 52.055 14.201 11.105 1.00 0.00 H new ATOM 0 HB THR B 216 53.400 12.825 9.584 1.00 0.00 H new ATOM 0 HG1 THR B 216 52.506 10.802 8.860 1.00 0.00 H new ATOM 0 HG21 THR B 216 53.637 10.803 10.997 1.00 0.00 H new ATOM 0 HG22 THR B 216 53.431 12.261 11.997 1.00 0.00 H new ATOM 0 HG23 THR B 216 52.064 11.148 11.755 1.00 0.00 H new ATOM 872 N ASP B 217 51.851 15.181 8.742 1.00 0.00 N ATOM 873 CA ASP B 217 51.485 15.953 7.560 1.00 0.00 C ATOM 874 C ASP B 217 51.378 15.046 6.338 1.00 0.00 C ATOM 875 O ASP B 217 50.441 15.163 5.548 1.00 0.00 O ATOM 876 CB ASP B 217 52.532 17.040 7.303 1.00 0.00 C ATOM 877 CG ASP B 217 53.917 16.412 7.186 1.00 0.00 C ATOM 878 OD1 ASP B 217 54.111 15.346 7.745 1.00 0.00 O ATOM 879 OD2 ASP B 217 54.762 17.008 6.540 1.00 0.00 O ATOM 0 H ASP B 217 52.745 15.440 9.160 1.00 0.00 H new ATOM 0 HA ASP B 217 50.515 16.417 7.738 1.00 0.00 H new ATOM 0 HB2 ASP B 217 52.290 17.581 6.388 1.00 0.00 H new ATOM 0 HB3 ASP B 217 52.521 17.767 8.115 1.00 0.00 H new ATOM 884 N GLU B 218 52.343 14.145 6.190 1.00 0.00 N ATOM 885 CA GLU B 218 52.347 13.223 5.061 1.00 0.00 C ATOM 886 C GLU B 218 51.092 12.355 5.074 1.00 0.00 C ATOM 887 O GLU B 218 50.374 12.271 4.077 1.00 0.00 O ATOM 888 CB GLU B 218 53.587 12.330 5.120 1.00 0.00 C ATOM 889 CG GLU B 218 53.602 11.396 3.909 1.00 0.00 C ATOM 890 CD GLU B 218 54.883 10.568 3.904 1.00 0.00 C ATOM 891 OE1 GLU B 218 55.805 10.936 4.613 1.00 0.00 O ATOM 892 OE2 GLU B 218 54.924 9.580 3.190 1.00 0.00 O ATOM 0 H GLU B 218 53.127 14.034 6.833 1.00 0.00 H new ATOM 0 HA GLU B 218 52.363 13.806 4.140 1.00 0.00 H new ATOM 0 HB2 GLU B 218 54.489 12.942 5.131 1.00 0.00 H new ATOM 0 HB3 GLU B 218 53.585 11.748 6.041 1.00 0.00 H new ATOM 0 HG2 GLU B 218 52.734 10.738 3.937 1.00 0.00 H new ATOM 0 HG3 GLU B 218 53.532 11.978 2.990 1.00 0.00 H new ATOM 899 N ASP B 219 50.835 11.711 6.207 1.00 0.00 N ATOM 900 CA ASP B 219 49.660 10.858 6.341 1.00 0.00 C ATOM 901 C ASP B 219 48.420 11.564 5.799 1.00 0.00 C ATOM 902 O ASP B 219 47.551 10.935 5.196 1.00 0.00 O ATOM 903 CB ASP B 219 49.441 10.495 7.811 1.00 0.00 C ATOM 904 CG ASP B 219 48.218 9.596 7.949 1.00 0.00 C ATOM 905 OD1 ASP B 219 48.242 8.508 7.397 1.00 0.00 O ATOM 906 OD2 ASP B 219 47.276 10.007 8.605 1.00 0.00 O ATOM 0 H ASP B 219 51.420 11.763 7.041 1.00 0.00 H new ATOM 0 HA ASP B 219 49.828 9.949 5.764 1.00 0.00 H new ATOM 0 HB2 ASP B 219 50.322 9.987 8.204 1.00 0.00 H new ATOM 0 HB3 ASP B 219 49.305 11.401 8.402 1.00 0.00 H new ATOM 911 N ILE B 220 48.345 12.872 6.019 1.00 0.00 N ATOM 912 CA ILE B 220 47.204 13.652 5.556 1.00 0.00 C ATOM 913 C ILE B 220 47.193 13.732 4.032 1.00 0.00 C ATOM 914 O ILE B 220 46.147 13.580 3.400 1.00 0.00 O ATOM 915 CB ILE B 220 47.262 15.063 6.142 1.00 0.00 C ATOM 916 CG1 ILE B 220 47.062 14.992 7.658 1.00 0.00 C ATOM 917 CG2 ILE B 220 46.156 15.920 5.523 1.00 0.00 C ATOM 918 CD1 ILE B 220 45.701 14.367 7.965 1.00 0.00 C ATOM 0 H ILE B 220 49.056 13.412 6.512 1.00 0.00 H new ATOM 0 HA ILE B 220 46.291 13.158 5.890 1.00 0.00 H new ATOM 0 HB ILE B 220 48.232 15.508 5.922 1.00 0.00 H new ATOM 0 HG12 ILE B 220 47.856 14.400 8.113 1.00 0.00 H new ATOM 0 HG13 ILE B 220 47.121 15.991 8.090 1.00 0.00 H new ATOM 0 HG21 ILE B 220 46.198 16.926 5.941 1.00 0.00 H new ATOM 0 HG22 ILE B 220 46.296 15.970 4.443 1.00 0.00 H new ATOM 0 HG23 ILE B 220 45.185 15.476 5.743 1.00 0.00 H new ATOM 0 HD11 ILE B 220 45.559 14.317 9.045 1.00 0.00 H new ATOM 0 HD12 ILE B 220 44.913 14.977 7.523 1.00 0.00 H new ATOM 0 HD13 ILE B 220 45.660 13.361 7.546 1.00 0.00 H new ATOM 930 N ARG B 221 48.362 13.973 3.449 1.00 0.00 N ATOM 931 CA ARG B 221 48.475 14.072 1.998 1.00 0.00 C ATOM 932 C ARG B 221 48.067 12.760 1.336 1.00 0.00 C ATOM 933 O ARG B 221 47.307 12.752 0.368 1.00 0.00 O ATOM 934 CB ARG B 221 49.914 14.417 1.609 1.00 0.00 C ATOM 935 CG ARG B 221 49.986 14.685 0.104 1.00 0.00 C ATOM 936 CD ARG B 221 49.627 16.146 -0.173 1.00 0.00 C ATOM 937 NE ARG B 221 49.655 16.409 -1.607 1.00 0.00 N ATOM 938 CZ ARG B 221 50.774 16.790 -2.214 1.00 0.00 C ATOM 939 NH1 ARG B 221 51.873 16.936 -1.525 1.00 0.00 N ATOM 940 NH2 ARG B 221 50.774 17.021 -3.499 1.00 0.00 N ATOM 0 H ARG B 221 49.239 14.103 3.954 1.00 0.00 H new ATOM 0 HA ARG B 221 47.806 14.861 1.654 1.00 0.00 H new ATOM 0 HB2 ARG B 221 50.251 15.294 2.162 1.00 0.00 H new ATOM 0 HB3 ARG B 221 50.581 13.597 1.875 1.00 0.00 H new ATOM 0 HG2 ARG B 221 50.988 14.469 -0.267 1.00 0.00 H new ATOM 0 HG3 ARG B 221 49.301 14.024 -0.427 1.00 0.00 H new ATOM 0 HD2 ARG B 221 48.637 16.366 0.225 1.00 0.00 H new ATOM 0 HD3 ARG B 221 50.330 16.804 0.338 1.00 0.00 H new ATOM 0 HE ARG B 221 48.801 16.299 -2.154 1.00 0.00 H new ATOM 0 HH11 ARG B 221 51.873 16.758 -0.521 1.00 0.00 H new ATOM 0 HH12 ARG B 221 52.732 17.228 -1.991 1.00 0.00 H new ATOM 0 HH21 ARG B 221 49.915 16.909 -4.037 1.00 0.00 H new ATOM 0 HH22 ARG B 221 51.633 17.313 -3.965 1.00 0.00 H new ATOM 954 N LYS B 222 48.580 11.652 1.863 1.00 0.00 N ATOM 955 CA LYS B 222 48.257 10.340 1.316 1.00 0.00 C ATOM 956 C LYS B 222 46.753 10.092 1.362 1.00 0.00 C ATOM 957 O LYS B 222 46.198 9.416 0.497 1.00 0.00 O ATOM 958 CB LYS B 222 48.979 9.249 2.111 1.00 0.00 C ATOM 959 CG LYS B 222 48.739 7.891 1.450 1.00 0.00 C ATOM 960 CD LYS B 222 49.453 6.799 2.250 1.00 0.00 C ATOM 961 CE LYS B 222 49.245 5.447 1.566 1.00 0.00 C ATOM 962 NZ LYS B 222 49.962 4.388 2.332 1.00 0.00 N ATOM 0 H LYS B 222 49.215 11.636 2.661 1.00 0.00 H new ATOM 0 HA LYS B 222 48.586 10.312 0.277 1.00 0.00 H new ATOM 0 HB2 LYS B 222 50.047 9.461 2.152 1.00 0.00 H new ATOM 0 HB3 LYS B 222 48.617 9.234 3.139 1.00 0.00 H new ATOM 0 HG2 LYS B 222 47.670 7.682 1.403 1.00 0.00 H new ATOM 0 HG3 LYS B 222 49.107 7.904 0.424 1.00 0.00 H new ATOM 0 HD2 LYS B 222 50.517 7.023 2.321 1.00 0.00 H new ATOM 0 HD3 LYS B 222 49.065 6.767 3.268 1.00 0.00 H new ATOM 0 HE2 LYS B 222 48.181 5.215 1.511 1.00 0.00 H new ATOM 0 HE3 LYS B 222 49.616 5.484 0.542 1.00 0.00 H new ATOM 0 HZ1 LYS B 222 49.821 3.468 1.868 1.00 0.00 H new ATOM 0 HZ2 LYS B 222 50.978 4.609 2.362 1.00 0.00 H new ATOM 0 HZ3 LYS B 222 49.588 4.347 3.302 1.00 0.00 H new ATOM 976 N GLN B 223 46.097 10.646 2.377 1.00 0.00 N ATOM 977 CA GLN B 223 44.657 10.473 2.529 1.00 0.00 C ATOM 978 C GLN B 223 43.905 11.311 1.501 1.00 0.00 C ATOM 979 O GLN B 223 42.921 10.858 0.918 1.00 0.00 O ATOM 980 CB GLN B 223 44.228 10.884 3.938 1.00 0.00 C ATOM 981 CG GLN B 223 44.645 9.802 4.937 1.00 0.00 C ATOM 982 CD GLN B 223 43.891 8.509 4.650 1.00 0.00 C ATOM 983 OE1 GLN B 223 42.659 8.491 4.663 1.00 0.00 O ATOM 984 NE2 GLN B 223 44.558 7.418 4.389 1.00 0.00 N ATOM 0 H GLN B 223 46.536 11.214 3.101 1.00 0.00 H new ATOM 0 HA GLN B 223 44.417 9.422 2.369 1.00 0.00 H new ATOM 0 HB2 GLN B 223 44.686 11.836 4.205 1.00 0.00 H new ATOM 0 HB3 GLN B 223 43.148 11.029 3.973 1.00 0.00 H new ATOM 0 HG2 GLN B 223 45.719 9.629 4.871 1.00 0.00 H new ATOM 0 HG3 GLN B 223 44.438 10.135 5.954 1.00 0.00 H new ATOM 0 HE21 GLN B 223 45.578 7.434 4.378 1.00 0.00 H new ATOM 0 HE22 GLN B 223 44.059 6.549 4.196 1.00 0.00 H new ATOM 993 N GLU B 224 44.375 12.535 1.284 1.00 0.00 N ATOM 994 CA GLU B 224 43.737 13.429 0.324 1.00 0.00 C ATOM 995 C GLU B 224 44.005 12.962 -1.103 1.00 0.00 C ATOM 996 O GLU B 224 43.094 12.902 -1.929 1.00 0.00 O ATOM 997 CB GLU B 224 44.266 14.853 0.505 1.00 0.00 C ATOM 998 CG GLU B 224 43.568 15.787 -0.486 1.00 0.00 C ATOM 999 CD GLU B 224 42.079 15.866 -0.168 1.00 0.00 C ATOM 1000 OE1 GLU B 224 41.717 15.562 0.957 1.00 0.00 O ATOM 1001 OE2 GLU B 224 41.324 16.230 -1.054 1.00 0.00 O ATOM 0 H GLU B 224 45.189 12.929 1.756 1.00 0.00 H new ATOM 0 HA GLU B 224 42.662 13.416 0.503 1.00 0.00 H new ATOM 0 HB2 GLU B 224 44.089 15.191 1.526 1.00 0.00 H new ATOM 0 HB3 GLU B 224 45.344 14.875 0.344 1.00 0.00 H new ATOM 0 HG2 GLU B 224 44.012 16.781 -0.436 1.00 0.00 H new ATOM 0 HG3 GLU B 224 43.712 15.424 -1.504 1.00 0.00 H new ATOM 1008 N GLU B 225 45.261 12.632 -1.387 1.00 0.00 N ATOM 1009 CA GLU B 225 45.641 12.189 -2.724 1.00 0.00 C ATOM 1010 C GLU B 225 44.969 10.861 -3.060 1.00 0.00 C ATOM 1011 O GLU B 225 44.457 10.676 -4.163 1.00 0.00 O ATOM 1012 CB GLU B 225 47.160 12.032 -2.811 1.00 0.00 C ATOM 1013 CG GLU B 225 47.552 11.644 -4.237 1.00 0.00 C ATOM 1014 CD GLU B 225 49.071 11.589 -4.363 1.00 0.00 C ATOM 1015 OE1 GLU B 225 49.732 11.610 -3.338 1.00 0.00 O ATOM 1016 OE2 GLU B 225 49.551 11.523 -5.482 1.00 0.00 O ATOM 0 H GLU B 225 46.028 12.662 -0.715 1.00 0.00 H new ATOM 0 HA GLU B 225 45.313 12.941 -3.442 1.00 0.00 H new ATOM 0 HB2 GLU B 225 47.649 12.964 -2.529 1.00 0.00 H new ATOM 0 HB3 GLU B 225 47.498 11.270 -2.109 1.00 0.00 H new ATOM 0 HG2 GLU B 225 47.122 10.675 -4.490 1.00 0.00 H new ATOM 0 HG3 GLU B 225 47.146 12.367 -4.944 1.00 0.00 H new ATOM 1023 N ARG B 226 44.976 9.942 -2.100 1.00 0.00 N ATOM 1024 CA ARG B 226 44.379 8.629 -2.311 1.00 0.00 C ATOM 1025 C ARG B 226 42.884 8.758 -2.588 1.00 0.00 C ATOM 1026 O ARG B 226 42.351 8.104 -3.485 1.00 0.00 O ATOM 1027 CB ARG B 226 44.597 7.752 -1.076 1.00 0.00 C ATOM 1028 CG ARG B 226 44.018 6.359 -1.330 1.00 0.00 C ATOM 1029 CD ARG B 226 44.233 5.482 -0.094 1.00 0.00 C ATOM 1030 NE ARG B 226 43.711 4.141 -0.329 1.00 0.00 N ATOM 1031 CZ ARG B 226 42.462 3.823 -0.008 1.00 0.00 C ATOM 1032 NH1 ARG B 226 41.678 4.719 0.530 1.00 0.00 N ATOM 1033 NH2 ARG B 226 42.018 2.616 -0.227 1.00 0.00 N ATOM 0 H ARG B 226 45.385 10.080 -1.176 1.00 0.00 H new ATOM 0 HA ARG B 226 44.858 8.167 -3.174 1.00 0.00 H new ATOM 0 HB2 ARG B 226 45.661 7.680 -0.852 1.00 0.00 H new ATOM 0 HB3 ARG B 226 44.118 8.204 -0.207 1.00 0.00 H new ATOM 0 HG2 ARG B 226 42.954 6.432 -1.556 1.00 0.00 H new ATOM 0 HG3 ARG B 226 44.498 5.907 -2.198 1.00 0.00 H new ATOM 0 HD2 ARG B 226 45.296 5.430 0.143 1.00 0.00 H new ATOM 0 HD3 ARG B 226 43.736 5.928 0.768 1.00 0.00 H new ATOM 0 HE ARG B 226 44.316 3.434 -0.747 1.00 0.00 H new ATOM 0 HH11 ARG B 226 42.025 5.662 0.703 1.00 0.00 H new ATOM 0 HH12 ARG B 226 40.719 4.475 0.777 1.00 0.00 H new ATOM 0 HH21 ARG B 226 42.630 1.915 -0.645 1.00 0.00 H new ATOM 0 HH22 ARG B 226 41.059 2.373 0.020 1.00 0.00 H new ATOM 1047 N VAL B 227 42.215 9.603 -1.811 1.00 0.00 N ATOM 1048 CA VAL B 227 40.779 9.800 -1.975 1.00 0.00 C ATOM 1049 C VAL B 227 40.480 10.489 -3.303 1.00 0.00 C ATOM 1050 O VAL B 227 39.530 10.131 -3.999 1.00 0.00 O ATOM 1051 CB VAL B 227 40.235 10.648 -0.824 1.00 0.00 C ATOM 1052 CG1 VAL B 227 38.735 10.872 -1.019 1.00 0.00 C ATOM 1053 CG2 VAL B 227 40.473 9.921 0.500 1.00 0.00 C ATOM 0 H VAL B 227 42.639 10.158 -1.068 1.00 0.00 H new ATOM 0 HA VAL B 227 40.294 8.824 -1.969 1.00 0.00 H new ATOM 0 HB VAL B 227 40.747 11.610 -0.809 1.00 0.00 H new ATOM 0 HG11 VAL B 227 38.348 11.476 -0.199 1.00 0.00 H new ATOM 0 HG12 VAL B 227 38.564 11.389 -1.963 1.00 0.00 H new ATOM 0 HG13 VAL B 227 38.222 9.910 -1.035 1.00 0.00 H new ATOM 0 HG21 VAL B 227 40.086 10.524 1.321 1.00 0.00 H new ATOM 0 HG22 VAL B 227 39.961 8.959 0.484 1.00 0.00 H new ATOM 0 HG23 VAL B 227 41.542 9.761 0.640 1.00 0.00 H new ATOM 1063 N GLN B 228 41.297 11.480 -3.648 1.00 0.00 N ATOM 1064 CA GLN B 228 41.100 12.220 -4.888 1.00 0.00 C ATOM 1065 C GLN B 228 41.186 11.286 -6.091 1.00 0.00 C ATOM 1066 O GLN B 228 40.445 11.440 -7.062 1.00 0.00 O ATOM 1067 CB GLN B 228 42.160 13.317 -5.015 1.00 0.00 C ATOM 1068 CG GLN B 228 41.777 14.503 -4.129 1.00 0.00 C ATOM 1069 CD GLN B 228 42.862 15.573 -4.194 1.00 0.00 C ATOM 1070 OE1 GLN B 228 43.998 15.334 -3.783 1.00 0.00 O ATOM 1071 NE2 GLN B 228 42.579 16.748 -4.688 1.00 0.00 N ATOM 0 H GLN B 228 42.095 11.786 -3.091 1.00 0.00 H new ATOM 0 HA GLN B 228 40.109 12.672 -4.865 1.00 0.00 H new ATOM 0 HB2 GLN B 228 43.136 12.930 -4.721 1.00 0.00 H new ATOM 0 HB3 GLN B 228 42.244 13.638 -6.053 1.00 0.00 H new ATOM 0 HG2 GLN B 228 40.824 14.919 -4.456 1.00 0.00 H new ATOM 0 HG3 GLN B 228 41.643 14.171 -3.100 1.00 0.00 H new ATOM 0 HE21 GLN B 228 41.638 16.945 -5.028 1.00 0.00 H new ATOM 0 HE22 GLN B 228 43.299 17.469 -4.734 1.00 0.00 H new ATOM 1080 N GLN B 229 42.094 10.319 -6.019 1.00 0.00 N ATOM 1081 CA GLN B 229 42.273 9.370 -7.113 1.00 0.00 C ATOM 1082 C GLN B 229 41.009 8.541 -7.317 1.00 0.00 C ATOM 1083 O GLN B 229 40.608 8.273 -8.449 1.00 0.00 O ATOM 1084 CB GLN B 229 43.451 8.442 -6.810 1.00 0.00 C ATOM 1085 CG GLN B 229 44.762 9.217 -6.957 1.00 0.00 C ATOM 1086 CD GLN B 229 45.938 8.333 -6.553 1.00 0.00 C ATOM 1087 OE1 GLN B 229 46.037 7.922 -5.397 1.00 0.00 O ATOM 1088 NE2 GLN B 229 46.840 8.016 -7.441 1.00 0.00 N ATOM 0 H GLN B 229 42.713 10.172 -5.222 1.00 0.00 H new ATOM 0 HA GLN B 229 42.476 9.930 -8.026 1.00 0.00 H new ATOM 0 HB2 GLN B 229 43.363 8.043 -5.799 1.00 0.00 H new ATOM 0 HB3 GLN B 229 43.441 7.590 -7.490 1.00 0.00 H new ATOM 0 HG2 GLN B 229 44.884 9.550 -7.988 1.00 0.00 H new ATOM 0 HG3 GLN B 229 44.737 10.111 -6.334 1.00 0.00 H new ATOM 0 HE21 GLN B 229 46.756 8.358 -8.398 1.00 0.00 H new ATOM 0 HE22 GLN B 229 47.630 7.426 -7.178 1.00 0.00 H new ATOM 1097 N VAL B 230 40.386 8.140 -6.214 1.00 0.00 N ATOM 1098 CA VAL B 230 39.165 7.343 -6.286 1.00 0.00 C ATOM 1099 C VAL B 230 38.048 8.134 -6.958 1.00 0.00 C ATOM 1100 O VAL B 230 37.313 7.602 -7.791 1.00 0.00 O ATOM 1101 CB VAL B 230 38.727 6.933 -4.880 1.00 0.00 C ATOM 1102 CG1 VAL B 230 37.337 6.296 -4.943 1.00 0.00 C ATOM 1103 CG2 VAL B 230 39.725 5.920 -4.311 1.00 0.00 C ATOM 0 H VAL B 230 40.702 8.351 -5.267 1.00 0.00 H new ATOM 0 HA VAL B 230 39.370 6.451 -6.878 1.00 0.00 H new ATOM 0 HB VAL B 230 38.695 7.814 -4.239 1.00 0.00 H new ATOM 0 HG11 VAL B 230 37.025 6.004 -3.940 1.00 0.00 H new ATOM 0 HG12 VAL B 230 36.625 7.015 -5.349 1.00 0.00 H new ATOM 0 HG13 VAL B 230 37.369 5.415 -5.584 1.00 0.00 H new ATOM 0 HG21 VAL B 230 39.414 5.627 -3.308 1.00 0.00 H new ATOM 0 HG22 VAL B 230 39.756 5.040 -4.953 1.00 0.00 H new ATOM 0 HG23 VAL B 230 40.716 6.372 -4.266 1.00 0.00 H new ATOM 1113 N ARG B 231 37.926 9.406 -6.593 1.00 0.00 N ATOM 1114 CA ARG B 231 36.891 10.259 -7.164 1.00 0.00 C ATOM 1115 C ARG B 231 37.029 10.324 -8.681 1.00 0.00 C ATOM 1116 O ARG B 231 36.037 10.270 -9.409 1.00 0.00 O ATOM 1117 CB ARG B 231 36.991 11.668 -6.579 1.00 0.00 C ATOM 1118 CG ARG B 231 35.844 12.527 -7.114 1.00 0.00 C ATOM 1119 CD ARG B 231 35.937 13.933 -6.520 1.00 0.00 C ATOM 1120 NE ARG B 231 37.137 14.607 -7.002 1.00 0.00 N ATOM 1121 CZ ARG B 231 37.542 15.755 -6.469 1.00 0.00 C ATOM 1122 NH1 ARG B 231 36.863 16.299 -5.496 1.00 0.00 N ATOM 1123 NH2 ARG B 231 38.618 16.341 -6.920 1.00 0.00 N ATOM 0 H ARG B 231 38.527 9.866 -5.909 1.00 0.00 H new ATOM 0 HA ARG B 231 35.919 9.833 -6.916 1.00 0.00 H new ATOM 0 HB2 ARG B 231 36.950 11.625 -5.491 1.00 0.00 H new ATOM 0 HB3 ARG B 231 37.949 12.116 -6.844 1.00 0.00 H new ATOM 0 HG2 ARG B 231 35.890 12.577 -8.202 1.00 0.00 H new ATOM 0 HG3 ARG B 231 34.886 12.075 -6.856 1.00 0.00 H new ATOM 0 HD2 ARG B 231 35.053 14.510 -6.793 1.00 0.00 H new ATOM 0 HD3 ARG B 231 35.956 13.875 -5.432 1.00 0.00 H new ATOM 0 HE ARG B 231 37.675 14.190 -7.762 1.00 0.00 H new ATOM 0 HH11 ARG B 231 36.021 15.843 -5.144 1.00 0.00 H new ATOM 0 HH12 ARG B 231 37.174 17.180 -5.087 1.00 0.00 H new ATOM 0 HH21 ARG B 231 39.148 15.918 -7.682 1.00 0.00 H new ATOM 0 HH22 ARG B 231 38.929 17.222 -6.511 1.00 0.00 H new ATOM 1137 N LYS B 232 38.265 10.440 -9.154 1.00 0.00 N ATOM 1138 CA LYS B 232 38.522 10.512 -10.588 1.00 0.00 C ATOM 1139 C LYS B 232 37.864 9.340 -11.308 1.00 0.00 C ATOM 1140 O LYS B 232 37.171 9.524 -12.309 1.00 0.00 O ATOM 1141 CB LYS B 232 40.029 10.496 -10.851 1.00 0.00 C ATOM 1142 CG LYS B 232 40.650 11.801 -10.348 1.00 0.00 C ATOM 1143 CD LYS B 232 42.153 11.795 -10.635 1.00 0.00 C ATOM 1144 CE LYS B 232 42.773 13.100 -10.132 1.00 0.00 C ATOM 1145 NZ LYS B 232 44.236 13.095 -10.414 1.00 0.00 N ATOM 0 H LYS B 232 39.100 10.486 -8.570 1.00 0.00 H new ATOM 0 HA LYS B 232 38.099 11.442 -10.968 1.00 0.00 H new ATOM 0 HB2 LYS B 232 40.488 9.645 -10.347 1.00 0.00 H new ATOM 0 HB3 LYS B 232 40.221 10.377 -11.917 1.00 0.00 H new ATOM 0 HG2 LYS B 232 40.179 12.653 -10.838 1.00 0.00 H new ATOM 0 HG3 LYS B 232 40.474 11.911 -9.278 1.00 0.00 H new ATOM 0 HD2 LYS B 232 42.624 10.943 -10.145 1.00 0.00 H new ATOM 0 HD3 LYS B 232 42.329 11.685 -11.705 1.00 0.00 H new ATOM 0 HE2 LYS B 232 42.300 13.952 -10.621 1.00 0.00 H new ATOM 0 HE3 LYS B 232 42.598 13.209 -9.062 1.00 0.00 H new ATOM 0 HZ1 LYS B 232 44.658 13.982 -10.072 1.00 0.00 H new ATOM 0 HZ2 LYS B 232 44.680 12.290 -9.928 1.00 0.00 H new ATOM 0 HZ3 LYS B 232 44.392 13.010 -11.439 1.00 0.00 H new ATOM 1159 N LYS B 233 38.087 8.136 -10.792 1.00 0.00 N ATOM 1160 CA LYS B 233 37.501 6.941 -11.388 1.00 0.00 C ATOM 1161 C LYS B 233 35.989 6.929 -11.188 1.00 0.00 C ATOM 1162 O LYS B 233 35.265 6.229 -11.895 1.00 0.00 O ATOM 1163 CB LYS B 233 38.110 5.688 -10.754 1.00 0.00 C ATOM 1164 CG LYS B 233 39.593 5.599 -11.123 1.00 0.00 C ATOM 1165 CD LYS B 233 40.200 4.342 -10.499 1.00 0.00 C ATOM 1166 CE LYS B 233 41.699 4.293 -10.802 1.00 0.00 C ATOM 1167 NZ LYS B 233 41.901 4.032 -12.256 1.00 0.00 N ATOM 0 H LYS B 233 38.664 7.962 -9.969 1.00 0.00 H new ATOM 0 HA LYS B 233 37.716 6.949 -12.457 1.00 0.00 H new ATOM 0 HB2 LYS B 233 37.995 5.723 -9.671 1.00 0.00 H new ATOM 0 HB3 LYS B 233 37.584 4.799 -11.102 1.00 0.00 H new ATOM 0 HG2 LYS B 233 39.708 5.572 -12.207 1.00 0.00 H new ATOM 0 HG3 LYS B 233 40.120 6.485 -10.769 1.00 0.00 H new ATOM 0 HD2 LYS B 233 40.036 4.343 -9.421 1.00 0.00 H new ATOM 0 HD3 LYS B 233 39.709 3.453 -10.895 1.00 0.00 H new ATOM 0 HE2 LYS B 233 42.169 5.236 -10.522 1.00 0.00 H new ATOM 0 HE3 LYS B 233 42.176 3.511 -10.211 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 42.891 3.764 -12.426 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 41.276 3.259 -12.560 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 41.677 4.891 -12.797 1.00 0.00 H new ATOM 1181 N LEU B 234 35.520 7.711 -10.221 1.00 0.00 N ATOM 1182 CA LEU B 234 34.092 7.774 -9.929 1.00 0.00 C ATOM 1183 C LEU B 234 33.365 8.597 -10.987 1.00 0.00 C ATOM 1184 O LEU B 234 32.430 8.117 -11.626 1.00 0.00 O ATOM 1185 CB LEU B 234 33.868 8.398 -8.550 1.00 0.00 C ATOM 1186 CG LEU B 234 32.464 8.050 -8.055 1.00 0.00 C ATOM 1187 CD1 LEU B 234 32.408 8.195 -6.533 1.00 0.00 C ATOM 1188 CD2 LEU B 234 31.449 9.000 -8.694 1.00 0.00 C ATOM 0 H LEU B 234 36.102 8.305 -9.631 1.00 0.00 H new ATOM 0 HA LEU B 234 33.693 6.760 -9.937 1.00 0.00 H new ATOM 0 HB2 LEU B 234 34.615 8.030 -7.847 1.00 0.00 H new ATOM 0 HB3 LEU B 234 33.988 9.480 -8.605 1.00 0.00 H new ATOM 0 HG LEU B 234 32.226 7.023 -8.331 1.00 0.00 H new ATOM 0 HD11 LEU B 234 31.407 7.947 -6.180 1.00 0.00 H new ATOM 0 HD12 LEU B 234 33.131 7.520 -6.076 1.00 0.00 H new ATOM 0 HD13 LEU B 234 32.646 9.222 -6.256 1.00 0.00 H new ATOM 0 HD21 LEU B 234 30.448 8.753 -8.342 1.00 0.00 H new ATOM 0 HD22 LEU B 234 31.688 10.027 -8.418 1.00 0.00 H new ATOM 0 HD23 LEU B 234 31.488 8.898 -9.779 1.00 0.00 H new ATOM 1200 N GLU B 235 33.803 9.839 -11.167 1.00 0.00 N ATOM 1201 CA GLU B 235 33.187 10.720 -12.152 1.00 0.00 C ATOM 1202 C GLU B 235 33.509 10.249 -13.567 1.00 0.00 C ATOM 1203 O GLU B 235 32.700 10.400 -14.482 1.00 0.00 O ATOM 1204 CB GLU B 235 33.692 12.151 -11.963 1.00 0.00 C ATOM 1205 CG GLU B 235 35.192 12.208 -12.262 1.00 0.00 C ATOM 1206 CD GLU B 235 35.726 13.610 -11.989 1.00 0.00 C ATOM 1207 OE1 GLU B 235 34.919 14.498 -11.773 1.00 0.00 O ATOM 1208 OE2 GLU B 235 36.935 13.775 -11.999 1.00 0.00 O ATOM 0 H GLU B 235 34.576 10.255 -10.648 1.00 0.00 H new ATOM 0 HA GLU B 235 32.107 10.694 -12.008 1.00 0.00 H new ATOM 0 HB2 GLU B 235 33.153 12.828 -12.625 1.00 0.00 H new ATOM 0 HB3 GLU B 235 33.501 12.483 -10.943 1.00 0.00 H new ATOM 0 HG2 GLU B 235 35.722 11.482 -11.645 1.00 0.00 H new ATOM 0 HG3 GLU B 235 35.374 11.937 -13.302 1.00 0.00 H new ATOM 1215 N GLU B 236 34.697 9.677 -13.737 1.00 0.00 N ATOM 1216 CA GLU B 236 35.121 9.194 -15.046 1.00 0.00 C ATOM 1217 C GLU B 236 34.192 8.087 -15.535 1.00 0.00 C ATOM 1218 O GLU B 236 33.737 8.105 -16.678 1.00 0.00 O ATOM 1219 CB GLU B 236 36.554 8.663 -14.968 1.00 0.00 C ATOM 1220 CG GLU B 236 37.001 8.195 -16.353 1.00 0.00 C ATOM 1221 CD GLU B 236 38.447 7.712 -16.299 1.00 0.00 C ATOM 1222 OE1 GLU B 236 38.954 7.545 -15.202 1.00 0.00 O ATOM 1223 OE2 GLU B 236 39.025 7.516 -17.355 1.00 0.00 O ATOM 0 H GLU B 236 35.378 9.537 -12.991 1.00 0.00 H new ATOM 0 HA GLU B 236 35.080 10.025 -15.750 1.00 0.00 H new ATOM 0 HB2 GLU B 236 37.223 9.443 -14.603 1.00 0.00 H new ATOM 0 HB3 GLU B 236 36.609 7.838 -14.258 1.00 0.00 H new ATOM 0 HG2 GLU B 236 36.353 7.390 -16.701 1.00 0.00 H new ATOM 0 HG3 GLU B 236 36.908 9.011 -17.069 1.00 0.00 H new ATOM 1230 N ALA B 237 33.914 7.125 -14.661 1.00 0.00 N ATOM 1231 CA ALA B 237 33.040 6.012 -15.016 1.00 0.00 C ATOM 1232 C ALA B 237 31.592 6.481 -15.110 1.00 0.00 C ATOM 1233 O ALA B 237 30.769 5.852 -15.775 1.00 0.00 O ATOM 1234 CB ALA B 237 33.154 4.903 -13.969 1.00 0.00 C ATOM 0 H ALA B 237 34.278 7.093 -13.709 1.00 0.00 H new ATOM 0 HA ALA B 237 33.349 5.625 -15.987 1.00 0.00 H new ATOM 0 HB1 ALA B 237 32.498 4.076 -14.242 1.00 0.00 H new ATOM 0 HB2 ALA B 237 34.184 4.550 -13.924 1.00 0.00 H new ATOM 0 HB3 ALA B 237 32.861 5.292 -12.994 1.00 0.00 H new ATOM 1240 N LEU B 238 31.290 7.588 -14.440 1.00 0.00 N ATOM 1241 CA LEU B 238 29.935 8.127 -14.447 1.00 0.00 C ATOM 1242 C LEU B 238 29.674 8.901 -15.735 1.00 0.00 C ATOM 1243 O LEU B 238 28.570 8.870 -16.277 1.00 0.00 O ATOM 1244 CB LEU B 238 29.734 9.051 -13.244 1.00 0.00 C ATOM 1245 CG LEU B 238 28.300 9.583 -13.243 1.00 0.00 C ATOM 1246 CD1 LEU B 238 27.321 8.415 -13.113 1.00 0.00 C ATOM 1247 CD2 LEU B 238 28.114 10.537 -12.061 1.00 0.00 C ATOM 0 H LEU B 238 31.959 8.126 -13.889 1.00 0.00 H new ATOM 0 HA LEU B 238 29.233 7.296 -14.387 1.00 0.00 H new ATOM 0 HB2 LEU B 238 29.933 8.510 -12.319 1.00 0.00 H new ATOM 0 HB3 LEU B 238 30.441 9.880 -13.287 1.00 0.00 H new ATOM 0 HG LEU B 238 28.109 10.114 -14.175 1.00 0.00 H new ATOM 0 HD11 LEU B 238 26.299 8.795 -13.112 1.00 0.00 H new ATOM 0 HD12 LEU B 238 27.454 7.733 -13.953 1.00 0.00 H new ATOM 0 HD13 LEU B 238 27.511 7.883 -12.181 1.00 0.00 H new ATOM 0 HD21 LEU B 238 27.093 10.918 -12.058 1.00 0.00 H new ATOM 0 HD22 LEU B 238 28.305 10.004 -11.130 1.00 0.00 H new ATOM 0 HD23 LEU B 238 28.811 11.370 -12.152 1.00 0.00 H new ATOM 1259 N MET B 239 30.698 9.597 -16.218 1.00 0.00 N ATOM 1260 CA MET B 239 30.566 10.388 -17.436 1.00 0.00 C ATOM 1261 C MET B 239 30.653 9.492 -18.668 1.00 0.00 C ATOM 1262 O MET B 239 30.427 9.942 -19.791 1.00 0.00 O ATOM 1263 CB MET B 239 31.669 11.447 -17.493 1.00 0.00 C ATOM 1264 CG MET B 239 31.438 12.486 -16.394 1.00 0.00 C ATOM 1265 SD MET B 239 29.894 13.373 -16.718 1.00 0.00 S ATOM 1266 CE MET B 239 30.440 14.242 -18.209 1.00 0.00 C ATOM 0 H MET B 239 31.622 9.630 -15.788 1.00 0.00 H new ATOM 0 HA MET B 239 29.593 10.878 -17.425 1.00 0.00 H new ATOM 0 HB2 MET B 239 32.645 10.978 -17.365 1.00 0.00 H new ATOM 0 HB3 MET B 239 31.673 11.930 -18.470 1.00 0.00 H new ATOM 0 HG2 MET B 239 31.392 11.998 -15.421 1.00 0.00 H new ATOM 0 HG3 MET B 239 32.272 13.187 -16.360 1.00 0.00 H new ATOM 0 HE1 MET B 239 30.099 15.277 -18.172 1.00 0.00 H new ATOM 0 HE2 MET B 239 31.528 14.220 -18.265 1.00 0.00 H new ATOM 0 HE3 MET B 239 30.021 13.753 -19.089 1.00 0.00 H new