USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=6 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 138:sc= -0.182 (180deg=-1.19) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 GLN : amide:sc= -0.722 K(o=-0.72,f=-1.8!) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 163 LYS NZ :NH3+ 131:sc= -0.0635 (180deg=-0.485) USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 GLN : amide:sc= -0.86 K(o=-0.86,f=-2!) USER MOD Single : A 168 SER OG : rot -46:sc= 0.482 USER MOD Single : A 169 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 216 THR OG1 : rot 180:sc= -0.118 USER MOD Single : B 222 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 223 GLN : amide:sc= -0.378 X(o=-0.38,f=-0.44) USER MOD Single : B 228 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : B 229 GLN : amide:sc= -0.0057 K(o=-0.0057,f=-0.84) USER MOD Single : B 232 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 239 MET CE :methyl -120:sc= 0 (180deg=-1.21) USER MOD ----------------------------------------------------------------- ATOM 35 N GLU A 139 25.723 -4.605 -15.269 1.00 0.00 N ATOM 36 CA GLU A 139 25.100 -4.593 -13.950 1.00 0.00 C ATOM 37 C GLU A 139 26.159 -4.478 -12.858 1.00 0.00 C ATOM 38 O GLU A 139 25.987 -3.742 -11.887 1.00 0.00 O ATOM 39 CB GLU A 139 24.288 -5.874 -13.743 1.00 0.00 C ATOM 40 CG GLU A 139 23.542 -5.796 -12.410 1.00 0.00 C ATOM 41 CD GLU A 139 22.700 -7.051 -12.209 1.00 0.00 C ATOM 42 OE1 GLU A 139 22.914 -8.006 -12.938 1.00 0.00 O ATOM 43 OE2 GLU A 139 21.853 -7.039 -11.331 1.00 0.00 O ATOM 0 HA GLU A 139 24.437 -3.730 -13.890 1.00 0.00 H new ATOM 0 HB2 GLU A 139 23.580 -6.004 -14.561 1.00 0.00 H new ATOM 0 HB3 GLU A 139 24.948 -6.741 -13.752 1.00 0.00 H new ATOM 0 HG2 GLU A 139 24.254 -5.691 -11.591 1.00 0.00 H new ATOM 0 HG3 GLU A 139 22.903 -4.913 -12.393 1.00 0.00 H new ATOM 50 N GLU A 140 27.256 -5.210 -13.026 1.00 0.00 N ATOM 51 CA GLU A 140 28.340 -5.179 -12.052 1.00 0.00 C ATOM 52 C GLU A 140 28.995 -3.802 -12.025 1.00 0.00 C ATOM 53 O GLU A 140 29.356 -3.296 -10.963 1.00 0.00 O ATOM 54 CB GLU A 140 29.387 -6.237 -12.400 1.00 0.00 C ATOM 55 CG GLU A 140 30.483 -6.244 -11.332 1.00 0.00 C ATOM 56 CD GLU A 140 29.916 -6.741 -10.007 1.00 0.00 C ATOM 57 OE1 GLU A 140 28.795 -7.221 -10.008 1.00 0.00 O ATOM 58 OE2 GLU A 140 30.613 -6.634 -9.010 1.00 0.00 O ATOM 0 H GLU A 140 27.417 -5.828 -13.822 1.00 0.00 H new ATOM 0 HA GLU A 140 27.924 -5.392 -11.067 1.00 0.00 H new ATOM 0 HB2 GLU A 140 28.919 -7.220 -12.462 1.00 0.00 H new ATOM 0 HB3 GLU A 140 29.820 -6.027 -13.378 1.00 0.00 H new ATOM 0 HG2 GLU A 140 31.306 -6.885 -11.648 1.00 0.00 H new ATOM 0 HG3 GLU A 140 30.889 -5.240 -11.209 1.00 0.00 H new ATOM 65 N ARG A 141 29.147 -3.201 -13.201 1.00 0.00 N ATOM 66 CA ARG A 141 29.762 -1.883 -13.302 1.00 0.00 C ATOM 67 C ARG A 141 28.960 -0.855 -12.511 1.00 0.00 C ATOM 68 O ARG A 141 29.526 -0.020 -11.806 1.00 0.00 O ATOM 69 CB ARG A 141 29.841 -1.454 -14.768 1.00 0.00 C ATOM 70 CG ARG A 141 30.566 -0.111 -14.869 1.00 0.00 C ATOM 71 CD ARG A 141 30.703 0.286 -16.340 1.00 0.00 C ATOM 72 NE ARG A 141 29.385 0.504 -16.927 1.00 0.00 N ATOM 73 CZ ARG A 141 29.236 0.664 -18.239 1.00 0.00 C ATOM 74 NH1 ARG A 141 30.277 0.626 -19.024 1.00 0.00 N ATOM 75 NH2 ARG A 141 28.047 0.858 -18.740 1.00 0.00 N ATOM 0 H ARG A 141 28.855 -3.603 -14.092 1.00 0.00 H new ATOM 0 HA ARG A 141 30.768 -1.940 -12.886 1.00 0.00 H new ATOM 0 HB2 ARG A 141 30.369 -2.209 -15.351 1.00 0.00 H new ATOM 0 HB3 ARG A 141 28.839 -1.371 -15.188 1.00 0.00 H new ATOM 0 HG2 ARG A 141 30.013 0.655 -14.325 1.00 0.00 H new ATOM 0 HG3 ARG A 141 31.551 -0.182 -14.407 1.00 0.00 H new ATOM 0 HD2 ARG A 141 31.302 1.193 -16.425 1.00 0.00 H new ATOM 0 HD3 ARG A 141 31.229 -0.496 -16.888 1.00 0.00 H new ATOM 0 HE ARG A 141 28.565 0.534 -16.321 1.00 0.00 H new ATOM 0 HH11 ARG A 141 31.206 0.473 -18.632 1.00 0.00 H new ATOM 0 HH12 ARG A 141 30.162 0.749 -20.030 1.00 0.00 H new ATOM 0 HH21 ARG A 141 27.233 0.887 -18.126 1.00 0.00 H new ATOM 0 HH22 ARG A 141 27.931 0.981 -19.746 1.00 0.00 H new ATOM 89 N GLU A 142 27.638 -0.922 -12.634 1.00 0.00 N ATOM 90 CA GLU A 142 26.767 0.009 -11.927 1.00 0.00 C ATOM 91 C GLU A 142 26.825 -0.238 -10.423 1.00 0.00 C ATOM 92 O GLU A 142 26.891 0.702 -9.632 1.00 0.00 O ATOM 93 CB GLU A 142 25.325 -0.152 -12.416 1.00 0.00 C ATOM 94 CG GLU A 142 25.215 0.354 -13.855 1.00 0.00 C ATOM 95 CD GLU A 142 23.803 0.123 -14.381 1.00 0.00 C ATOM 96 OE1 GLU A 142 22.989 -0.394 -13.633 1.00 0.00 O ATOM 97 OE2 GLU A 142 23.555 0.468 -15.525 1.00 0.00 O ATOM 0 H GLU A 142 27.150 -1.606 -13.212 1.00 0.00 H new ATOM 0 HA GLU A 142 27.110 1.023 -12.131 1.00 0.00 H new ATOM 0 HB2 GLU A 142 25.027 -1.199 -12.364 1.00 0.00 H new ATOM 0 HB3 GLU A 142 24.646 0.405 -11.770 1.00 0.00 H new ATOM 0 HG2 GLU A 142 25.458 1.416 -13.896 1.00 0.00 H new ATOM 0 HG3 GLU A 142 25.937 -0.163 -14.487 1.00 0.00 H new ATOM 104 N ARG A 143 26.802 -1.509 -10.035 1.00 0.00 N ATOM 105 CA ARG A 143 26.854 -1.868 -8.622 1.00 0.00 C ATOM 106 C ARG A 143 28.161 -1.394 -7.997 1.00 0.00 C ATOM 107 O ARG A 143 28.180 -0.919 -6.862 1.00 0.00 O ATOM 108 CB ARG A 143 26.728 -3.384 -8.464 1.00 0.00 C ATOM 109 CG ARG A 143 25.291 -3.811 -8.769 1.00 0.00 C ATOM 110 CD ARG A 143 25.170 -5.331 -8.634 1.00 0.00 C ATOM 111 NE ARG A 143 25.884 -5.991 -9.721 1.00 0.00 N ATOM 112 CZ ARG A 143 25.977 -7.316 -9.776 1.00 0.00 C ATOM 113 NH1 ARG A 143 25.422 -8.049 -8.850 1.00 0.00 N ATOM 114 NH2 ARG A 143 26.623 -7.884 -10.758 1.00 0.00 N ATOM 0 H ARG A 143 26.748 -2.302 -10.674 1.00 0.00 H new ATOM 0 HA ARG A 143 26.024 -1.381 -8.111 1.00 0.00 H new ATOM 0 HB2 ARG A 143 27.420 -3.889 -9.138 1.00 0.00 H new ATOM 0 HB3 ARG A 143 26.999 -3.678 -7.450 1.00 0.00 H new ATOM 0 HG2 ARG A 143 24.601 -3.318 -8.084 1.00 0.00 H new ATOM 0 HG3 ARG A 143 25.015 -3.502 -9.777 1.00 0.00 H new ATOM 0 HD2 ARG A 143 25.576 -5.652 -7.675 1.00 0.00 H new ATOM 0 HD3 ARG A 143 24.120 -5.622 -8.649 1.00 0.00 H new ATOM 0 HE ARG A 143 26.319 -5.427 -10.451 1.00 0.00 H new ATOM 0 HH11 ARG A 143 24.916 -7.605 -8.083 1.00 0.00 H new ATOM 0 HH12 ARG A 143 25.494 -9.066 -8.893 1.00 0.00 H new ATOM 0 HH21 ARG A 143 27.056 -7.311 -11.482 1.00 0.00 H new ATOM 0 HH22 ARG A 143 26.695 -8.901 -10.801 1.00 0.00 H new ATOM 128 N MET A 144 29.252 -1.526 -8.744 1.00 0.00 N ATOM 129 CA MET A 144 30.558 -1.099 -8.253 1.00 0.00 C ATOM 130 C MET A 144 30.559 0.400 -7.974 1.00 0.00 C ATOM 131 O MET A 144 31.105 0.853 -6.969 1.00 0.00 O ATOM 132 CB MET A 144 31.638 -1.430 -9.284 1.00 0.00 C ATOM 133 CG MET A 144 31.951 -2.927 -9.235 1.00 0.00 C ATOM 134 SD MET A 144 33.195 -3.326 -10.488 1.00 0.00 S ATOM 135 CE MET A 144 34.576 -2.437 -9.727 1.00 0.00 C ATOM 0 H MET A 144 29.259 -1.922 -9.684 1.00 0.00 H new ATOM 0 HA MET A 144 30.769 -1.630 -7.325 1.00 0.00 H new ATOM 0 HB2 MET A 144 31.300 -1.151 -10.282 1.00 0.00 H new ATOM 0 HB3 MET A 144 32.540 -0.853 -9.080 1.00 0.00 H new ATOM 0 HG2 MET A 144 32.316 -3.201 -8.245 1.00 0.00 H new ATOM 0 HG3 MET A 144 31.044 -3.505 -9.411 1.00 0.00 H new ATOM 0 HE1 MET A 144 35.480 -3.041 -9.797 1.00 0.00 H new ATOM 0 HE2 MET A 144 34.730 -1.491 -10.247 1.00 0.00 H new ATOM 0 HE3 MET A 144 34.350 -2.242 -8.679 1.00 0.00 H new ATOM 145 N ILE A 145 29.944 1.164 -8.871 1.00 0.00 N ATOM 146 CA ILE A 145 29.875 2.612 -8.707 1.00 0.00 C ATOM 147 C ILE A 145 29.107 2.970 -7.438 1.00 0.00 C ATOM 148 O ILE A 145 29.510 3.858 -6.688 1.00 0.00 O ATOM 149 CB ILE A 145 29.186 3.242 -9.918 1.00 0.00 C ATOM 150 CG1 ILE A 145 30.083 3.093 -11.149 1.00 0.00 C ATOM 151 CG2 ILE A 145 28.937 4.728 -9.648 1.00 0.00 C ATOM 152 CD1 ILE A 145 29.312 3.519 -12.399 1.00 0.00 C ATOM 0 H ILE A 145 29.490 0.809 -9.712 1.00 0.00 H new ATOM 0 HA ILE A 145 30.891 2.999 -8.626 1.00 0.00 H new ATOM 0 HB ILE A 145 28.235 2.740 -10.096 1.00 0.00 H new ATOM 0 HG12 ILE A 145 30.978 3.704 -11.035 1.00 0.00 H new ATOM 0 HG13 ILE A 145 30.414 2.059 -11.248 1.00 0.00 H new ATOM 0 HG21 ILE A 145 28.446 5.177 -10.511 1.00 0.00 H new ATOM 0 HG22 ILE A 145 28.300 4.837 -8.771 1.00 0.00 H new ATOM 0 HG23 ILE A 145 29.888 5.230 -9.470 1.00 0.00 H new ATOM 0 HD11 ILE A 145 29.952 3.412 -13.275 1.00 0.00 H new ATOM 0 HD12 ILE A 145 28.430 2.889 -12.515 1.00 0.00 H new ATOM 0 HD13 ILE A 145 29.004 4.560 -12.299 1.00 0.00 H new ATOM 164 N LYS A 146 28.000 2.272 -7.205 1.00 0.00 N ATOM 165 CA LYS A 146 27.184 2.526 -6.023 1.00 0.00 C ATOM 166 C LYS A 146 27.950 2.161 -4.756 1.00 0.00 C ATOM 167 O LYS A 146 27.943 2.908 -3.779 1.00 0.00 O ATOM 168 CB LYS A 146 25.892 1.710 -6.095 1.00 0.00 C ATOM 169 CG LYS A 146 25.053 1.971 -4.843 1.00 0.00 C ATOM 170 CD LYS A 146 24.598 3.432 -4.829 1.00 0.00 C ATOM 171 CE LYS A 146 23.398 3.584 -3.892 1.00 0.00 C ATOM 172 NZ LYS A 146 23.006 5.019 -3.817 1.00 0.00 N ATOM 0 H LYS A 146 27.650 1.532 -7.813 1.00 0.00 H new ATOM 0 HA LYS A 146 26.940 3.588 -5.993 1.00 0.00 H new ATOM 0 HB2 LYS A 146 25.327 1.981 -6.987 1.00 0.00 H new ATOM 0 HB3 LYS A 146 26.124 0.648 -6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 146 24.187 1.309 -4.828 1.00 0.00 H new ATOM 0 HG3 LYS A 146 25.637 1.752 -3.949 1.00 0.00 H new ATOM 0 HD2 LYS A 146 25.414 4.075 -4.499 1.00 0.00 H new ATOM 0 HD3 LYS A 146 24.329 3.750 -5.836 1.00 0.00 H new ATOM 0 HE2 LYS A 146 22.562 2.986 -4.254 1.00 0.00 H new ATOM 0 HE3 LYS A 146 23.649 3.212 -2.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 22.190 5.123 -3.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 23.804 5.578 -3.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 22.750 5.359 -4.766 1.00 0.00 H new ATOM 186 N GLN A 147 28.611 1.008 -4.782 1.00 0.00 N ATOM 187 CA GLN A 147 29.380 0.554 -3.629 1.00 0.00 C ATOM 188 C GLN A 147 30.539 1.508 -3.354 1.00 0.00 C ATOM 189 O GLN A 147 30.885 1.761 -2.200 1.00 0.00 O ATOM 190 CB GLN A 147 29.923 -0.853 -3.883 1.00 0.00 C ATOM 191 CG GLN A 147 28.760 -1.846 -3.945 1.00 0.00 C ATOM 192 CD GLN A 147 28.116 -1.981 -2.570 1.00 0.00 C ATOM 193 OE1 GLN A 147 27.315 -1.136 -2.173 1.00 0.00 O ATOM 194 NE2 GLN A 147 28.420 -3.001 -1.815 1.00 0.00 N ATOM 0 H GLN A 147 28.630 0.376 -5.582 1.00 0.00 H new ATOM 0 HA GLN A 147 28.723 0.536 -2.760 1.00 0.00 H new ATOM 0 HB2 GLN A 147 30.484 -0.875 -4.817 1.00 0.00 H new ATOM 0 HB3 GLN A 147 30.615 -1.136 -3.090 1.00 0.00 H new ATOM 0 HG2 GLN A 147 28.020 -1.508 -4.670 1.00 0.00 H new ATOM 0 HG3 GLN A 147 29.118 -2.818 -4.285 1.00 0.00 H new ATOM 0 HE21 GLN A 147 29.084 -3.701 -2.146 1.00 0.00 H new ATOM 0 HE22 GLN A 147 27.993 -3.099 -0.894 1.00 0.00 H new ATOM 203 N LEU A 148 31.133 2.033 -4.420 1.00 0.00 N ATOM 204 CA LEU A 148 32.258 2.950 -4.281 1.00 0.00 C ATOM 205 C LEU A 148 31.820 4.225 -3.568 1.00 0.00 C ATOM 206 O LEU A 148 32.556 4.771 -2.744 1.00 0.00 O ATOM 207 CB LEU A 148 32.819 3.301 -5.660 1.00 0.00 C ATOM 208 CG LEU A 148 33.690 2.149 -6.166 1.00 0.00 C ATOM 209 CD1 LEU A 148 34.038 2.380 -7.638 1.00 0.00 C ATOM 210 CD2 LEU A 148 34.977 2.084 -5.341 1.00 0.00 C ATOM 0 H LEU A 148 30.857 1.841 -5.383 1.00 0.00 H new ATOM 0 HA LEU A 148 33.032 2.462 -3.689 1.00 0.00 H new ATOM 0 HB2 LEU A 148 32.004 3.489 -6.359 1.00 0.00 H new ATOM 0 HB3 LEU A 148 33.407 4.217 -5.603 1.00 0.00 H new ATOM 0 HG LEU A 148 33.146 1.210 -6.066 1.00 0.00 H new ATOM 0 HD11 LEU A 148 34.658 1.559 -7.998 1.00 0.00 H new ATOM 0 HD12 LEU A 148 33.121 2.427 -8.226 1.00 0.00 H new ATOM 0 HD13 LEU A 148 34.583 3.319 -7.740 1.00 0.00 H new ATOM 0 HD21 LEU A 148 35.598 1.264 -5.700 1.00 0.00 H new ATOM 0 HD22 LEU A 148 35.521 3.023 -5.442 1.00 0.00 H new ATOM 0 HD23 LEU A 148 34.729 1.919 -4.292 1.00 0.00 H new ATOM 222 N LYS A 149 30.619 4.694 -3.890 1.00 0.00 N ATOM 223 CA LYS A 149 30.094 5.908 -3.277 1.00 0.00 C ATOM 224 C LYS A 149 29.894 5.705 -1.778 1.00 0.00 C ATOM 225 O LYS A 149 29.970 6.653 -0.998 1.00 0.00 O ATOM 226 CB LYS A 149 28.763 6.287 -3.926 1.00 0.00 C ATOM 227 CG LYS A 149 29.012 6.782 -5.352 1.00 0.00 C ATOM 228 CD LYS A 149 27.680 7.170 -5.998 1.00 0.00 C ATOM 229 CE LYS A 149 27.932 7.687 -7.416 1.00 0.00 C ATOM 230 NZ LYS A 149 26.637 8.081 -8.037 1.00 0.00 N ATOM 0 H LYS A 149 29.995 4.255 -4.567 1.00 0.00 H new ATOM 0 HA LYS A 149 30.813 6.712 -3.431 1.00 0.00 H new ATOM 0 HB2 LYS A 149 28.095 5.426 -3.940 1.00 0.00 H new ATOM 0 HB3 LYS A 149 28.269 7.063 -3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 149 29.685 7.639 -5.338 1.00 0.00 H new ATOM 0 HG3 LYS A 149 29.500 6.003 -5.939 1.00 0.00 H new ATOM 0 HD2 LYS A 149 27.013 6.308 -6.027 1.00 0.00 H new ATOM 0 HD3 LYS A 149 27.185 7.937 -5.403 1.00 0.00 H new ATOM 0 HE2 LYS A 149 28.609 8.541 -7.389 1.00 0.00 H new ATOM 0 HE3 LYS A 149 28.416 6.916 -8.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 26.807 8.433 -9.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 26.005 7.256 -8.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 26.193 8.830 -7.468 1.00 0.00 H new ATOM 244 N GLU A 150 29.638 4.462 -1.385 1.00 0.00 N ATOM 245 CA GLU A 150 29.416 4.147 0.022 1.00 0.00 C ATOM 246 C GLU A 150 30.703 4.338 0.819 1.00 0.00 C ATOM 247 O GLU A 150 30.736 5.091 1.792 1.00 0.00 O ATOM 248 CB GLU A 150 28.934 2.703 0.165 1.00 0.00 C ATOM 249 CG GLU A 150 28.645 2.404 1.637 1.00 0.00 C ATOM 250 CD GLU A 150 27.434 3.204 2.104 1.00 0.00 C ATOM 251 OE1 GLU A 150 26.792 3.814 1.265 1.00 0.00 O ATOM 252 OE2 GLU A 150 27.166 3.195 3.294 1.00 0.00 O ATOM 0 H GLU A 150 29.579 3.662 -2.015 1.00 0.00 H new ATOM 0 HA GLU A 150 28.654 4.822 0.412 1.00 0.00 H new ATOM 0 HB2 GLU A 150 28.035 2.548 -0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 150 29.691 2.017 -0.215 1.00 0.00 H new ATOM 0 HG2 GLU A 150 28.460 1.338 1.771 1.00 0.00 H new ATOM 0 HG3 GLU A 150 29.514 2.656 2.245 1.00 0.00 H new ATOM 259 N GLU A 151 31.760 3.651 0.399 1.00 0.00 N ATOM 260 CA GLU A 151 33.045 3.753 1.081 1.00 0.00 C ATOM 261 C GLU A 151 33.641 5.144 0.890 1.00 0.00 C ATOM 262 O GLU A 151 34.383 5.634 1.742 1.00 0.00 O ATOM 263 CB GLU A 151 34.012 2.701 0.534 1.00 0.00 C ATOM 264 CG GLU A 151 35.328 2.764 1.312 1.00 0.00 C ATOM 265 CD GLU A 151 35.096 2.359 2.763 1.00 0.00 C ATOM 266 OE1 GLU A 151 34.107 1.693 3.021 1.00 0.00 O ATOM 267 OE2 GLU A 151 35.910 2.720 3.597 1.00 0.00 O ATOM 0 H GLU A 151 31.753 3.022 -0.404 1.00 0.00 H new ATOM 0 HA GLU A 151 32.886 3.580 2.145 1.00 0.00 H new ATOM 0 HB2 GLU A 151 33.573 1.707 0.622 1.00 0.00 H new ATOM 0 HB3 GLU A 151 34.195 2.876 -0.526 1.00 0.00 H new ATOM 0 HG2 GLU A 151 36.063 2.102 0.854 1.00 0.00 H new ATOM 0 HG3 GLU A 151 35.738 3.773 1.269 1.00 0.00 H new ATOM 274 N LEU A 152 33.311 5.773 -0.232 1.00 0.00 N ATOM 275 CA LEU A 152 33.823 7.107 -0.527 1.00 0.00 C ATOM 276 C LEU A 152 33.398 8.093 0.557 1.00 0.00 C ATOM 277 O LEU A 152 34.200 8.903 1.021 1.00 0.00 O ATOM 278 CB LEU A 152 33.300 7.580 -1.884 1.00 0.00 C ATOM 279 CG LEU A 152 33.828 8.986 -2.173 1.00 0.00 C ATOM 280 CD1 LEU A 152 34.172 9.108 -3.659 1.00 0.00 C ATOM 281 CD2 LEU A 152 32.754 10.016 -1.814 1.00 0.00 C ATOM 0 H LEU A 152 32.696 5.385 -0.948 1.00 0.00 H new ATOM 0 HA LEU A 152 34.912 7.061 -0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 152 33.618 6.893 -2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 152 32.210 7.582 -1.885 1.00 0.00 H new ATOM 0 HG LEU A 152 34.722 9.167 -1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 152 34.548 10.110 -3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 152 34.935 8.374 -3.917 1.00 0.00 H new ATOM 0 HD13 LEU A 152 33.278 8.927 -4.256 1.00 0.00 H new ATOM 0 HD21 LEU A 152 33.129 11.019 -2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 152 31.860 9.833 -2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 152 32.507 9.931 -0.756 1.00 0.00 H new ATOM 293 N ARG A 153 32.133 8.017 0.955 1.00 0.00 N ATOM 294 CA ARG A 153 31.614 8.906 1.988 1.00 0.00 C ATOM 295 C ARG A 153 32.343 8.675 3.307 1.00 0.00 C ATOM 296 O ARG A 153 32.701 9.623 4.005 1.00 0.00 O ATOM 297 CB ARG A 153 30.115 8.663 2.182 1.00 0.00 C ATOM 298 CG ARG A 153 29.351 9.195 0.968 1.00 0.00 C ATOM 299 CD ARG A 153 27.858 8.911 1.140 1.00 0.00 C ATOM 300 NE ARG A 153 27.334 9.640 2.288 1.00 0.00 N ATOM 301 CZ ARG A 153 26.086 9.455 2.709 1.00 0.00 C ATOM 302 NH1 ARG A 153 25.309 8.608 2.091 1.00 0.00 N ATOM 303 NH2 ARG A 153 25.640 10.120 3.739 1.00 0.00 N ATOM 0 H ARG A 153 31.453 7.355 0.582 1.00 0.00 H new ATOM 0 HA ARG A 153 31.777 9.936 1.671 1.00 0.00 H new ATOM 0 HB2 ARG A 153 29.922 7.598 2.309 1.00 0.00 H new ATOM 0 HB3 ARG A 153 29.770 9.160 3.089 1.00 0.00 H new ATOM 0 HG2 ARG A 153 29.518 10.267 0.861 1.00 0.00 H new ATOM 0 HG3 ARG A 153 29.719 8.722 0.057 1.00 0.00 H new ATOM 0 HD2 ARG A 153 27.319 9.203 0.239 1.00 0.00 H new ATOM 0 HD3 ARG A 153 27.697 7.841 1.275 1.00 0.00 H new ATOM 0 HE ARG A 153 27.935 10.304 2.777 1.00 0.00 H new ATOM 0 HH11 ARG A 153 25.659 8.089 1.286 1.00 0.00 H new ATOM 0 HH12 ARG A 153 24.352 8.465 2.413 1.00 0.00 H new ATOM 0 HH21 ARG A 153 26.248 10.782 4.221 1.00 0.00 H new ATOM 0 HH22 ARG A 153 24.683 9.978 4.062 1.00 0.00 H new ATOM 317 N LEU A 154 32.562 7.407 3.642 1.00 0.00 N ATOM 318 CA LEU A 154 33.258 7.063 4.876 1.00 0.00 C ATOM 319 C LEU A 154 34.714 7.511 4.810 1.00 0.00 C ATOM 320 O LEU A 154 35.260 8.028 5.786 1.00 0.00 O ATOM 321 CB LEU A 154 33.198 5.550 5.105 1.00 0.00 C ATOM 322 CG LEU A 154 31.753 5.134 5.385 1.00 0.00 C ATOM 323 CD1 LEU A 154 31.676 3.612 5.515 1.00 0.00 C ATOM 324 CD2 LEU A 154 31.282 5.780 6.691 1.00 0.00 C ATOM 0 H LEU A 154 32.270 6.607 3.081 1.00 0.00 H new ATOM 0 HA LEU A 154 32.768 7.575 5.704 1.00 0.00 H new ATOM 0 HB2 LEU A 154 33.576 5.023 4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 154 33.837 5.273 5.944 1.00 0.00 H new ATOM 0 HG LEU A 154 31.115 5.462 4.564 1.00 0.00 H new ATOM 0 HD11 LEU A 154 30.646 3.316 5.715 1.00 0.00 H new ATOM 0 HD12 LEU A 154 32.013 3.150 4.587 1.00 0.00 H new ATOM 0 HD13 LEU A 154 32.314 3.284 6.336 1.00 0.00 H new ATOM 0 HD21 LEU A 154 30.252 5.485 6.892 1.00 0.00 H new ATOM 0 HD22 LEU A 154 31.921 5.451 7.511 1.00 0.00 H new ATOM 0 HD23 LEU A 154 31.337 6.865 6.601 1.00 0.00 H new ATOM 336 N GLU A 155 35.338 7.311 3.654 1.00 0.00 N ATOM 337 CA GLU A 155 36.732 7.699 3.472 1.00 0.00 C ATOM 338 C GLU A 155 36.887 9.210 3.604 1.00 0.00 C ATOM 339 O GLU A 155 37.862 9.696 4.178 1.00 0.00 O ATOM 340 CB GLU A 155 37.223 7.252 2.094 1.00 0.00 C ATOM 341 CG GLU A 155 38.724 7.525 1.974 1.00 0.00 C ATOM 342 CD GLU A 155 39.247 6.986 0.647 1.00 0.00 C ATOM 343 OE1 GLU A 155 38.517 6.254 -0.002 1.00 0.00 O ATOM 344 OE2 GLU A 155 40.369 7.313 0.298 1.00 0.00 O ATOM 0 H GLU A 155 34.904 6.886 2.835 1.00 0.00 H new ATOM 0 HA GLU A 155 37.329 7.214 4.244 1.00 0.00 H new ATOM 0 HB2 GLU A 155 37.023 6.190 1.952 1.00 0.00 H new ATOM 0 HB3 GLU A 155 36.682 7.786 1.313 1.00 0.00 H new ATOM 0 HG2 GLU A 155 38.914 8.596 2.041 1.00 0.00 H new ATOM 0 HG3 GLU A 155 39.255 7.055 2.802 1.00 0.00 H new ATOM 351 N GLU A 156 35.919 9.947 3.071 1.00 0.00 N ATOM 352 CA GLU A 156 35.955 11.403 3.138 1.00 0.00 C ATOM 353 C GLU A 156 35.662 11.879 4.558 1.00 0.00 C ATOM 354 O GLU A 156 36.354 12.749 5.086 1.00 0.00 O ATOM 355 CB GLU A 156 34.925 11.998 2.176 1.00 0.00 C ATOM 356 CG GLU A 156 35.528 12.081 0.772 1.00 0.00 C ATOM 357 CD GLU A 156 36.525 13.233 0.701 1.00 0.00 C ATOM 358 OE1 GLU A 156 37.679 13.012 1.029 1.00 0.00 O ATOM 359 OE2 GLU A 156 36.120 14.319 0.319 1.00 0.00 O ATOM 0 H GLU A 156 35.105 9.563 2.591 1.00 0.00 H new ATOM 0 HA GLU A 156 36.952 11.737 2.851 1.00 0.00 H new ATOM 0 HB2 GLU A 156 34.026 11.382 2.162 1.00 0.00 H new ATOM 0 HB3 GLU A 156 34.626 12.990 2.514 1.00 0.00 H new ATOM 0 HG2 GLU A 156 36.025 11.143 0.524 1.00 0.00 H new ATOM 0 HG3 GLU A 156 34.738 12.227 0.036 1.00 0.00 H new ATOM 366 N ALA A 157 34.632 11.302 5.169 1.00 0.00 N ATOM 367 CA ALA A 157 34.260 11.670 6.529 1.00 0.00 C ATOM 368 C ALA A 157 35.483 11.657 7.440 1.00 0.00 C ATOM 369 O ALA A 157 35.767 12.638 8.129 1.00 0.00 O ATOM 370 CB ALA A 157 33.212 10.695 7.067 1.00 0.00 C ATOM 0 H ALA A 157 34.044 10.583 4.747 1.00 0.00 H new ATOM 0 HA ALA A 157 33.843 12.677 6.511 1.00 0.00 H new ATOM 0 HB1 ALA A 157 32.940 10.978 8.084 1.00 0.00 H new ATOM 0 HB2 ALA A 157 32.326 10.726 6.432 1.00 0.00 H new ATOM 0 HB3 ALA A 157 33.622 9.685 7.069 1.00 0.00 H new ATOM 376 N LYS A 158 36.204 10.541 7.437 1.00 0.00 N ATOM 377 CA LYS A 158 37.395 10.411 8.270 1.00 0.00 C ATOM 378 C LYS A 158 38.415 11.487 7.915 1.00 0.00 C ATOM 379 O LYS A 158 39.066 12.053 8.793 1.00 0.00 O ATOM 380 CB LYS A 158 38.020 9.028 8.076 1.00 0.00 C ATOM 381 CG LYS A 158 37.096 7.962 8.667 1.00 0.00 C ATOM 382 CD LYS A 158 37.732 6.582 8.496 1.00 0.00 C ATOM 383 CE LYS A 158 36.807 5.515 9.086 1.00 0.00 C ATOM 384 NZ LYS A 158 37.422 4.169 8.907 1.00 0.00 N ATOM 0 H LYS A 158 35.988 9.720 6.872 1.00 0.00 H new ATOM 0 HA LYS A 158 37.102 10.533 9.313 1.00 0.00 H new ATOM 0 HB2 LYS A 158 38.182 8.836 7.015 1.00 0.00 H new ATOM 0 HB3 LYS A 158 38.996 8.987 8.560 1.00 0.00 H new ATOM 0 HG2 LYS A 158 36.920 8.164 9.723 1.00 0.00 H new ATOM 0 HG3 LYS A 158 36.126 7.991 8.171 1.00 0.00 H new ATOM 0 HD2 LYS A 158 37.909 6.380 7.440 1.00 0.00 H new ATOM 0 HD3 LYS A 158 38.702 6.553 8.993 1.00 0.00 H new ATOM 0 HE2 LYS A 158 36.637 5.711 10.145 1.00 0.00 H new ATOM 0 HE3 LYS A 158 35.834 5.550 8.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 36.793 3.444 9.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 37.562 3.983 7.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 38.340 4.139 9.395 1.00 0.00 H new ATOM 398 N LEU A 159 38.548 11.767 6.622 1.00 0.00 N ATOM 399 CA LEU A 159 39.493 12.779 6.163 1.00 0.00 C ATOM 400 C LEU A 159 39.137 14.143 6.746 1.00 0.00 C ATOM 401 O LEU A 159 39.995 14.840 7.287 1.00 0.00 O ATOM 402 CB LEU A 159 39.477 12.853 4.636 1.00 0.00 C ATOM 403 CG LEU A 159 40.439 13.946 4.167 1.00 0.00 C ATOM 404 CD1 LEU A 159 41.846 13.646 4.688 1.00 0.00 C ATOM 405 CD2 LEU A 159 40.460 13.984 2.638 1.00 0.00 C ATOM 0 H LEU A 159 38.018 11.311 5.879 1.00 0.00 H new ATOM 0 HA LEU A 159 40.491 12.501 6.501 1.00 0.00 H new ATOM 0 HB2 LEU A 159 39.767 11.892 4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 159 38.468 13.066 4.282 1.00 0.00 H new ATOM 0 HG LEU A 159 40.107 14.911 4.551 1.00 0.00 H new ATOM 0 HD11 LEU A 159 42.531 14.425 4.354 1.00 0.00 H new ATOM 0 HD12 LEU A 159 41.832 13.618 5.778 1.00 0.00 H new ATOM 0 HD13 LEU A 159 42.178 12.681 4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 159 41.145 14.763 2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 159 40.792 13.019 2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 159 39.458 14.197 2.266 1.00 0.00 H new ATOM 417 N VAL A 160 37.867 14.516 6.630 1.00 0.00 N ATOM 418 CA VAL A 160 37.405 15.792 7.167 1.00 0.00 C ATOM 419 C VAL A 160 37.603 15.838 8.678 1.00 0.00 C ATOM 420 O VAL A 160 38.036 16.852 9.226 1.00 0.00 O ATOM 421 CB VAL A 160 35.925 15.992 6.837 1.00 0.00 C ATOM 422 CG1 VAL A 160 35.406 17.240 7.554 1.00 0.00 C ATOM 423 CG2 VAL A 160 35.760 16.167 5.326 1.00 0.00 C ATOM 0 H VAL A 160 37.145 13.959 6.173 1.00 0.00 H new ATOM 0 HA VAL A 160 37.989 16.591 6.711 1.00 0.00 H new ATOM 0 HB VAL A 160 35.358 15.122 7.167 1.00 0.00 H new ATOM 0 HG11 VAL A 160 34.351 17.383 7.319 1.00 0.00 H new ATOM 0 HG12 VAL A 160 35.524 17.117 8.631 1.00 0.00 H new ATOM 0 HG13 VAL A 160 35.972 18.111 7.224 1.00 0.00 H new ATOM 0 HG21 VAL A 160 34.706 16.310 5.089 1.00 0.00 H new ATOM 0 HG22 VAL A 160 36.327 17.038 4.997 1.00 0.00 H new ATOM 0 HG23 VAL A 160 36.130 15.278 4.814 1.00 0.00 H new ATOM 433 N LEU A 161 37.284 14.734 9.345 1.00 0.00 N ATOM 434 CA LEU A 161 37.430 14.660 10.794 1.00 0.00 C ATOM 435 C LEU A 161 38.891 14.845 11.193 1.00 0.00 C ATOM 436 O LEU A 161 39.196 15.542 12.160 1.00 0.00 O ATOM 437 CB LEU A 161 36.928 13.306 11.302 1.00 0.00 C ATOM 438 CG LEU A 161 35.449 13.415 11.672 1.00 0.00 C ATOM 439 CD1 LEU A 161 34.614 13.565 10.399 1.00 0.00 C ATOM 440 CD2 LEU A 161 35.016 12.152 12.418 1.00 0.00 C ATOM 0 H LEU A 161 36.925 13.884 8.910 1.00 0.00 H new ATOM 0 HA LEU A 161 36.837 15.458 11.242 1.00 0.00 H new ATOM 0 HB2 LEU A 161 37.066 12.544 10.535 1.00 0.00 H new ATOM 0 HB3 LEU A 161 37.509 12.994 12.170 1.00 0.00 H new ATOM 0 HG LEU A 161 35.298 14.285 12.311 1.00 0.00 H new ATOM 0 HD11 LEU A 161 33.559 13.643 10.663 1.00 0.00 H new ATOM 0 HD12 LEU A 161 34.922 14.464 9.866 1.00 0.00 H new ATOM 0 HD13 LEU A 161 34.765 12.695 9.760 1.00 0.00 H new ATOM 0 HD21 LEU A 161 33.961 12.229 12.682 1.00 0.00 H new ATOM 0 HD22 LEU A 161 35.167 11.282 11.779 1.00 0.00 H new ATOM 0 HD23 LEU A 161 35.610 12.044 13.325 1.00 0.00 H new ATOM 452 N LEU A 162 39.789 14.219 10.439 1.00 0.00 N ATOM 453 CA LEU A 162 41.216 14.326 10.719 1.00 0.00 C ATOM 454 C LEU A 162 41.648 15.789 10.727 1.00 0.00 C ATOM 455 O LEU A 162 42.500 16.190 11.519 1.00 0.00 O ATOM 456 CB LEU A 162 42.015 13.561 9.662 1.00 0.00 C ATOM 457 CG LEU A 162 41.925 12.060 9.942 1.00 0.00 C ATOM 458 CD1 LEU A 162 42.488 11.285 8.750 1.00 0.00 C ATOM 459 CD2 LEU A 162 42.737 11.727 11.195 1.00 0.00 C ATOM 0 H LEU A 162 39.556 13.636 9.635 1.00 0.00 H new ATOM 0 HA LEU A 162 41.410 13.894 11.701 1.00 0.00 H new ATOM 0 HB2 LEU A 162 41.626 13.780 8.668 1.00 0.00 H new ATOM 0 HB3 LEU A 162 43.056 13.882 9.675 1.00 0.00 H new ATOM 0 HG LEU A 162 40.883 11.781 10.098 1.00 0.00 H new ATOM 0 HD11 LEU A 162 42.424 10.215 8.949 1.00 0.00 H new ATOM 0 HD12 LEU A 162 41.911 11.523 7.856 1.00 0.00 H new ATOM 0 HD13 LEU A 162 43.530 11.564 8.594 1.00 0.00 H new ATOM 0 HD21 LEU A 162 42.674 10.658 11.396 1.00 0.00 H new ATOM 0 HD22 LEU A 162 43.779 12.006 11.038 1.00 0.00 H new ATOM 0 HD23 LEU A 162 42.338 12.280 12.045 1.00 0.00 H new ATOM 471 N LYS A 163 41.054 16.580 9.840 1.00 0.00 N ATOM 472 CA LYS A 163 41.378 18.000 9.760 1.00 0.00 C ATOM 473 C LYS A 163 41.057 18.697 11.077 1.00 0.00 C ATOM 474 O LYS A 163 41.821 19.541 11.547 1.00 0.00 O ATOM 475 CB LYS A 163 40.583 18.654 8.628 1.00 0.00 C ATOM 476 CG LYS A 163 41.022 20.111 8.470 1.00 0.00 C ATOM 477 CD LYS A 163 40.197 20.777 7.368 1.00 0.00 C ATOM 478 CE LYS A 163 40.626 22.238 7.220 1.00 0.00 C ATOM 479 NZ LYS A 163 42.044 22.294 6.762 1.00 0.00 N ATOM 0 H LYS A 163 40.351 16.266 9.171 1.00 0.00 H new ATOM 0 HA LYS A 163 42.445 18.099 9.559 1.00 0.00 H new ATOM 0 HB2 LYS A 163 40.744 18.112 7.696 1.00 0.00 H new ATOM 0 HB3 LYS A 163 39.516 18.606 8.844 1.00 0.00 H new ATOM 0 HG2 LYS A 163 40.890 20.645 9.411 1.00 0.00 H new ATOM 0 HG3 LYS A 163 42.083 20.157 8.223 1.00 0.00 H new ATOM 0 HD2 LYS A 163 40.337 20.249 6.425 1.00 0.00 H new ATOM 0 HD3 LYS A 163 39.136 20.721 7.610 1.00 0.00 H new ATOM 0 HE2 LYS A 163 39.981 22.747 6.504 1.00 0.00 H new ATOM 0 HE3 LYS A 163 40.519 22.758 8.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 42.123 22.945 5.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 42.647 22.632 7.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 42.353 21.344 6.472 1.00 0.00 H new ATOM 493 N LYS A 164 39.924 18.337 11.670 1.00 0.00 N ATOM 494 CA LYS A 164 39.510 18.937 12.934 1.00 0.00 C ATOM 495 C LYS A 164 40.523 18.625 14.030 1.00 0.00 C ATOM 496 O LYS A 164 40.794 19.459 14.894 1.00 0.00 O ATOM 497 CB LYS A 164 38.134 18.403 13.340 1.00 0.00 C ATOM 498 CG LYS A 164 37.079 18.907 12.353 1.00 0.00 C ATOM 499 CD LYS A 164 35.705 18.369 12.755 1.00 0.00 C ATOM 500 CE LYS A 164 34.648 18.886 11.777 1.00 0.00 C ATOM 501 NZ LYS A 164 33.305 18.393 12.193 1.00 0.00 N ATOM 0 H LYS A 164 39.280 17.638 11.300 1.00 0.00 H new ATOM 0 HA LYS A 164 39.455 20.018 12.802 1.00 0.00 H new ATOM 0 HB2 LYS A 164 38.144 17.313 13.352 1.00 0.00 H new ATOM 0 HB3 LYS A 164 37.888 18.731 14.350 1.00 0.00 H new ATOM 0 HG2 LYS A 164 37.066 19.997 12.344 1.00 0.00 H new ATOM 0 HG3 LYS A 164 37.327 18.582 11.342 1.00 0.00 H new ATOM 0 HD2 LYS A 164 35.715 17.279 12.754 1.00 0.00 H new ATOM 0 HD3 LYS A 164 35.462 18.684 13.770 1.00 0.00 H new ATOM 0 HE2 LYS A 164 34.657 19.976 11.757 1.00 0.00 H new ATOM 0 HE3 LYS A 164 34.875 18.547 10.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 32.585 18.744 11.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 33.301 17.353 12.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 33.090 18.738 13.150 1.00 0.00 H new ATOM 515 N LEU A 165 41.081 17.419 13.987 1.00 0.00 N ATOM 516 CA LEU A 165 42.062 17.007 14.983 1.00 0.00 C ATOM 517 C LEU A 165 43.283 17.919 14.941 1.00 0.00 C ATOM 518 O LEU A 165 43.837 18.282 15.978 1.00 0.00 O ATOM 519 CB LEU A 165 42.495 15.561 14.724 1.00 0.00 C ATOM 520 CG LEU A 165 41.569 14.608 15.480 1.00 0.00 C ATOM 521 CD1 LEU A 165 41.824 14.731 16.983 1.00 0.00 C ATOM 522 CD2 LEU A 165 40.113 14.969 15.180 1.00 0.00 C ATOM 0 H LEU A 165 40.872 16.715 13.279 1.00 0.00 H new ATOM 0 HA LEU A 165 41.602 17.078 15.969 1.00 0.00 H new ATOM 0 HB2 LEU A 165 42.462 15.346 13.656 1.00 0.00 H new ATOM 0 HB3 LEU A 165 43.526 15.416 15.047 1.00 0.00 H new ATOM 0 HG LEU A 165 41.764 13.584 15.162 1.00 0.00 H new ATOM 0 HD11 LEU A 165 41.163 14.051 17.521 1.00 0.00 H new ATOM 0 HD12 LEU A 165 42.861 14.475 17.198 1.00 0.00 H new ATOM 0 HD13 LEU A 165 41.629 15.755 17.302 1.00 0.00 H new ATOM 0 HD21 LEU A 165 39.452 14.290 15.718 1.00 0.00 H new ATOM 0 HD22 LEU A 165 39.919 15.993 15.498 1.00 0.00 H new ATOM 0 HD23 LEU A 165 39.930 14.881 14.109 1.00 0.00 H new ATOM 534 N ARG A 166 43.696 18.289 13.732 1.00 0.00 N ATOM 535 CA ARG A 166 44.854 19.158 13.563 1.00 0.00 C ATOM 536 C ARG A 166 44.590 20.526 14.183 1.00 0.00 C ATOM 537 O ARG A 166 45.475 21.120 14.800 1.00 0.00 O ATOM 538 CB ARG A 166 45.170 19.323 12.075 1.00 0.00 C ATOM 539 CG ARG A 166 45.765 18.021 11.533 1.00 0.00 C ATOM 540 CD ARG A 166 46.062 18.179 10.041 1.00 0.00 C ATOM 541 NE ARG A 166 47.067 19.216 9.832 1.00 0.00 N ATOM 542 CZ ARG A 166 48.363 18.928 9.847 1.00 0.00 C ATOM 543 NH1 ARG A 166 48.756 17.700 10.049 1.00 0.00 N ATOM 544 NH2 ARG A 166 49.244 19.872 9.657 1.00 0.00 N ATOM 0 H ARG A 166 43.249 18.002 12.861 1.00 0.00 H new ATOM 0 HA ARG A 166 45.706 18.701 14.067 1.00 0.00 H new ATOM 0 HB2 ARG A 166 44.264 19.578 11.526 1.00 0.00 H new ATOM 0 HB3 ARG A 166 45.872 20.144 11.930 1.00 0.00 H new ATOM 0 HG2 ARG A 166 46.679 17.774 12.073 1.00 0.00 H new ATOM 0 HG3 ARG A 166 45.069 17.197 11.691 1.00 0.00 H new ATOM 0 HD2 ARG A 166 46.415 17.233 9.631 1.00 0.00 H new ATOM 0 HD3 ARG A 166 45.148 18.436 9.506 1.00 0.00 H new ATOM 0 HE ARG A 166 46.769 20.178 9.672 1.00 0.00 H new ATOM 0 HH11 ARG A 166 48.068 16.962 10.195 1.00 0.00 H new ATOM 0 HH12 ARG A 166 49.752 17.479 10.061 1.00 0.00 H new ATOM 0 HH21 ARG A 166 48.937 20.831 9.497 1.00 0.00 H new ATOM 0 HH22 ARG A 166 50.240 19.650 9.669 1.00 0.00 H new ATOM 558 N GLN A 167 43.368 21.021 14.015 1.00 0.00 N ATOM 559 CA GLN A 167 42.997 22.320 14.566 1.00 0.00 C ATOM 560 C GLN A 167 42.635 22.191 16.042 1.00 0.00 C ATOM 561 O GLN A 167 42.606 23.181 16.773 1.00 0.00 O ATOM 562 CB GLN A 167 41.809 22.895 13.793 1.00 0.00 C ATOM 563 CG GLN A 167 42.208 23.117 12.334 1.00 0.00 C ATOM 564 CD GLN A 167 43.296 24.182 12.246 1.00 0.00 C ATOM 565 OE1 GLN A 167 44.465 23.899 12.506 1.00 0.00 O ATOM 566 NE2 GLN A 167 42.978 25.399 11.896 1.00 0.00 N ATOM 0 H GLN A 167 42.622 20.547 13.506 1.00 0.00 H new ATOM 0 HA GLN A 167 43.850 22.992 14.471 1.00 0.00 H new ATOM 0 HB2 GLN A 167 40.961 22.213 13.849 1.00 0.00 H new ATOM 0 HB3 GLN A 167 41.491 23.836 14.241 1.00 0.00 H new ATOM 0 HG2 GLN A 167 42.566 22.183 11.900 1.00 0.00 H new ATOM 0 HG3 GLN A 167 41.338 23.425 11.754 1.00 0.00 H new ATOM 0 HE21 GLN A 167 42.008 25.631 11.681 1.00 0.00 H new ATOM 0 HE22 GLN A 167 43.699 26.118 11.838 1.00 0.00 H new ATOM 575 N SER A 168 42.359 20.965 16.474 1.00 0.00 N ATOM 576 CA SER A 168 41.986 20.721 17.863 1.00 0.00 C ATOM 577 C SER A 168 43.154 21.034 18.793 1.00 0.00 C ATOM 578 O SER A 168 42.960 21.517 19.908 1.00 0.00 O ATOM 579 CB SER A 168 41.566 19.261 18.042 1.00 0.00 C ATOM 580 OG SER A 168 42.716 18.429 17.966 1.00 0.00 O ATOM 0 H SER A 168 42.386 20.131 15.888 1.00 0.00 H new ATOM 0 HA SER A 168 41.150 21.373 18.116 1.00 0.00 H new ATOM 0 HB2 SER A 168 41.070 19.129 19.004 1.00 0.00 H new ATOM 0 HB3 SER A 168 40.848 18.980 17.272 1.00 0.00 H new ATOM 0 HG SER A 168 43.263 18.696 17.198 1.00 0.00 H new ATOM 586 N GLN A 169 44.366 20.756 18.325 1.00 0.00 N ATOM 587 CA GLN A 169 45.560 21.020 19.120 1.00 0.00 C ATOM 588 C GLN A 169 45.546 22.452 19.646 1.00 0.00 C ATOM 589 O GLN A 169 45.351 22.684 20.839 1.00 0.00 O ATOM 590 CB GLN A 169 46.814 20.797 18.272 1.00 0.00 C ATOM 591 CG GLN A 169 46.958 19.308 17.954 1.00 0.00 C ATOM 592 CD GLN A 169 48.178 19.080 17.069 1.00 0.00 C ATOM 593 OE1 GLN A 169 48.917 20.019 16.773 1.00 0.00 O ATOM 594 NE2 GLN A 169 48.436 17.880 16.626 1.00 0.00 N ATOM 0 H GLN A 169 44.547 20.351 17.407 1.00 0.00 H new ATOM 0 HA GLN A 169 45.569 20.333 19.967 1.00 0.00 H new ATOM 0 HB2 GLN A 169 46.748 21.372 17.348 1.00 0.00 H new ATOM 0 HB3 GLN A 169 47.695 21.152 18.806 1.00 0.00 H new ATOM 0 HG2 GLN A 169 47.057 18.738 18.878 1.00 0.00 H new ATOM 0 HG3 GLN A 169 46.061 18.947 17.451 1.00 0.00 H new ATOM 0 HE21 GLN A 169 47.823 17.103 16.872 1.00 0.00 H new ATOM 0 HE22 GLN A 169 49.251 17.719 16.034 1.00 0.00 H new ATOM 823 N ILE B 214 48.433 10.228 16.963 1.00 0.00 N ATOM 824 CA ILE B 214 49.120 11.389 16.408 1.00 0.00 C ATOM 825 C ILE B 214 49.005 11.401 14.887 1.00 0.00 C ATOM 826 O ILE B 214 49.374 10.435 14.219 1.00 0.00 O ATOM 827 CB ILE B 214 50.596 11.364 16.810 1.00 0.00 C ATOM 828 CG1 ILE B 214 50.710 11.462 18.333 1.00 0.00 C ATOM 829 CG2 ILE B 214 51.320 12.549 16.169 1.00 0.00 C ATOM 830 CD1 ILE B 214 52.160 11.218 18.753 1.00 0.00 C ATOM 0 HA ILE B 214 48.651 12.290 16.804 1.00 0.00 H new ATOM 0 HB ILE B 214 51.050 10.433 16.469 1.00 0.00 H new ATOM 0 HG12 ILE B 214 50.383 12.446 18.670 1.00 0.00 H new ATOM 0 HG13 ILE B 214 50.055 10.729 18.805 1.00 0.00 H new ATOM 0 HG21 ILE B 214 52.372 12.531 16.455 1.00 0.00 H new ATOM 0 HG22 ILE B 214 51.238 12.482 15.084 1.00 0.00 H new ATOM 0 HG23 ILE B 214 50.867 13.480 16.510 1.00 0.00 H new ATOM 0 HD11 ILE B 214 52.241 11.288 19.838 1.00 0.00 H new ATOM 0 HD12 ILE B 214 52.470 10.225 18.429 1.00 0.00 H new ATOM 0 HD13 ILE B 214 52.803 11.967 18.292 1.00 0.00 H new ATOM 842 N VAL B 215 48.490 12.501 14.347 1.00 0.00 N ATOM 843 CA VAL B 215 48.323 12.626 12.904 1.00 0.00 C ATOM 844 C VAL B 215 49.476 13.421 12.297 1.00 0.00 C ATOM 845 O VAL B 215 49.819 14.501 12.778 1.00 0.00 O ATOM 846 CB VAL B 215 46.999 13.323 12.590 1.00 0.00 C ATOM 847 CG1 VAL B 215 46.835 13.451 11.075 1.00 0.00 C ATOM 848 CG2 VAL B 215 45.843 12.499 13.158 1.00 0.00 C ATOM 0 H VAL B 215 48.183 13.313 14.883 1.00 0.00 H new ATOM 0 HA VAL B 215 48.319 11.626 12.470 1.00 0.00 H new ATOM 0 HB VAL B 215 46.996 14.315 13.041 1.00 0.00 H new ATOM 0 HG11 VAL B 215 45.891 13.948 10.852 1.00 0.00 H new ATOM 0 HG12 VAL B 215 47.659 14.037 10.668 1.00 0.00 H new ATOM 0 HG13 VAL B 215 46.838 12.459 10.624 1.00 0.00 H new ATOM 0 HG21 VAL B 215 44.898 12.995 12.935 1.00 0.00 H new ATOM 0 HG22 VAL B 215 45.847 11.507 12.707 1.00 0.00 H new ATOM 0 HG23 VAL B 215 45.958 12.407 14.238 1.00 0.00 H new ATOM 858 N THR B 216 50.067 12.880 11.238 1.00 0.00 N ATOM 859 CA THR B 216 51.171 13.554 10.563 1.00 0.00 C ATOM 860 C THR B 216 50.671 14.294 9.328 1.00 0.00 C ATOM 861 O THR B 216 49.595 13.999 8.808 1.00 0.00 O ATOM 862 CB THR B 216 52.236 12.534 10.153 1.00 0.00 C ATOM 863 OG1 THR B 216 51.694 11.654 9.178 1.00 0.00 O ATOM 864 CG2 THR B 216 52.676 11.732 11.380 1.00 0.00 C ATOM 0 H THR B 216 49.803 11.983 10.830 1.00 0.00 H new ATOM 0 HA THR B 216 51.607 14.275 11.254 1.00 0.00 H new ATOM 0 HB THR B 216 53.098 13.054 9.735 1.00 0.00 H new ATOM 0 HG1 THR B 216 52.375 11.001 8.913 1.00 0.00 H new ATOM 0 HG21 THR B 216 53.434 11.006 11.087 1.00 0.00 H new ATOM 0 HG22 THR B 216 53.091 12.409 12.127 1.00 0.00 H new ATOM 0 HG23 THR B 216 51.817 11.210 11.801 1.00 0.00 H new ATOM 872 N ASP B 217 51.458 15.258 8.862 1.00 0.00 N ATOM 873 CA ASP B 217 51.080 16.039 7.689 1.00 0.00 C ATOM 874 C ASP B 217 51.001 15.148 6.454 1.00 0.00 C ATOM 875 O ASP B 217 50.136 15.333 5.598 1.00 0.00 O ATOM 876 CB ASP B 217 52.101 17.154 7.453 1.00 0.00 C ATOM 877 CG ASP B 217 53.506 16.565 7.375 1.00 0.00 C ATOM 878 OD1 ASP B 217 53.695 15.466 7.869 1.00 0.00 O ATOM 879 OD2 ASP B 217 54.372 17.222 6.820 1.00 0.00 O ATOM 0 H ASP B 217 52.355 15.516 9.274 1.00 0.00 H new ATOM 0 HA ASP B 217 50.099 16.478 7.869 1.00 0.00 H new ATOM 0 HB2 ASP B 217 51.867 17.683 6.529 1.00 0.00 H new ATOM 0 HB3 ASP B 217 52.048 17.884 8.260 1.00 0.00 H new ATOM 884 N GLU B 218 51.909 14.181 6.369 1.00 0.00 N ATOM 885 CA GLU B 218 51.932 13.267 5.233 1.00 0.00 C ATOM 886 C GLU B 218 50.639 12.462 5.165 1.00 0.00 C ATOM 887 O GLU B 218 49.992 12.395 4.119 1.00 0.00 O ATOM 888 CB GLU B 218 53.122 12.314 5.353 1.00 0.00 C ATOM 889 CG GLU B 218 54.425 13.095 5.164 1.00 0.00 C ATOM 890 CD GLU B 218 55.620 12.179 5.401 1.00 0.00 C ATOM 891 OE1 GLU B 218 55.403 11.028 5.741 1.00 0.00 O ATOM 892 OE2 GLU B 218 56.737 12.644 5.241 1.00 0.00 O ATOM 0 H GLU B 218 52.633 14.011 7.067 1.00 0.00 H new ATOM 0 HA GLU B 218 52.028 13.856 4.321 1.00 0.00 H new ATOM 0 HB2 GLU B 218 53.115 11.828 6.329 1.00 0.00 H new ATOM 0 HB3 GLU B 218 53.047 11.526 4.604 1.00 0.00 H new ATOM 0 HG2 GLU B 218 54.468 13.509 4.157 1.00 0.00 H new ATOM 0 HG3 GLU B 218 54.458 13.936 5.856 1.00 0.00 H new ATOM 899 N ASP B 219 50.268 11.853 6.286 1.00 0.00 N ATOM 900 CA ASP B 219 49.051 11.051 6.341 1.00 0.00 C ATOM 901 C ASP B 219 47.874 11.821 5.750 1.00 0.00 C ATOM 902 O ASP B 219 46.971 11.233 5.155 1.00 0.00 O ATOM 903 CB ASP B 219 48.738 10.674 7.791 1.00 0.00 C ATOM 904 CG ASP B 219 49.732 9.627 8.282 1.00 0.00 C ATOM 905 OD1 ASP B 219 50.422 9.058 7.451 1.00 0.00 O ATOM 906 OD2 ASP B 219 49.789 9.409 9.481 1.00 0.00 O ATOM 0 H ASP B 219 50.788 11.898 7.162 1.00 0.00 H new ATOM 0 HA ASP B 219 49.210 10.145 5.756 1.00 0.00 H new ATOM 0 HB2 ASP B 219 48.787 11.560 8.425 1.00 0.00 H new ATOM 0 HB3 ASP B 219 47.722 10.286 7.864 1.00 0.00 H new ATOM 911 N ILE B 220 47.890 13.140 5.918 1.00 0.00 N ATOM 912 CA ILE B 220 46.812 13.979 5.408 1.00 0.00 C ATOM 913 C ILE B 220 46.785 13.949 3.882 1.00 0.00 C ATOM 914 O ILE B 220 45.727 13.787 3.274 1.00 0.00 O ATOM 915 CB ILE B 220 46.999 15.419 5.889 1.00 0.00 C ATOM 916 CG1 ILE B 220 46.999 15.447 7.420 1.00 0.00 C ATOM 917 CG2 ILE B 220 45.853 16.285 5.365 1.00 0.00 C ATOM 918 CD1 ILE B 220 45.657 14.929 7.941 1.00 0.00 C ATOM 0 H ILE B 220 48.632 13.647 6.400 1.00 0.00 H new ATOM 0 HA ILE B 220 45.866 13.591 5.784 1.00 0.00 H new ATOM 0 HB ILE B 220 47.947 15.807 5.516 1.00 0.00 H new ATOM 0 HG12 ILE B 220 47.812 14.832 7.805 1.00 0.00 H new ATOM 0 HG13 ILE B 220 47.171 16.463 7.776 1.00 0.00 H new ATOM 0 HG21 ILE B 220 45.986 17.311 5.708 1.00 0.00 H new ATOM 0 HG22 ILE B 220 45.850 16.264 4.275 1.00 0.00 H new ATOM 0 HG23 ILE B 220 44.905 15.898 5.738 1.00 0.00 H new ATOM 0 HD11 ILE B 220 45.658 14.949 9.031 1.00 0.00 H new ATOM 0 HD12 ILE B 220 44.853 15.562 7.567 1.00 0.00 H new ATOM 0 HD13 ILE B 220 45.504 13.906 7.597 1.00 0.00 H new ATOM 930 N ARG B 221 47.955 14.109 3.272 1.00 0.00 N ATOM 931 CA ARG B 221 48.050 14.116 1.816 1.00 0.00 C ATOM 932 C ARG B 221 47.747 12.732 1.250 1.00 0.00 C ATOM 933 O ARG B 221 46.915 12.586 0.354 1.00 0.00 O ATOM 934 CB ARG B 221 49.453 14.548 1.388 1.00 0.00 C ATOM 935 CG ARG B 221 49.526 14.607 -0.140 1.00 0.00 C ATOM 936 CD ARG B 221 50.914 15.085 -0.567 1.00 0.00 C ATOM 937 NE ARG B 221 51.104 16.482 -0.197 1.00 0.00 N ATOM 938 CZ ARG B 221 52.314 17.032 -0.184 1.00 0.00 C ATOM 939 NH1 ARG B 221 53.358 16.318 -0.507 1.00 0.00 N ATOM 940 NH2 ARG B 221 52.458 18.285 0.152 1.00 0.00 N ATOM 0 H ARG B 221 48.843 14.235 3.758 1.00 0.00 H new ATOM 0 HA ARG B 221 47.317 14.822 1.427 1.00 0.00 H new ATOM 0 HB2 ARG B 221 49.690 15.524 1.812 1.00 0.00 H new ATOM 0 HB3 ARG B 221 50.194 13.846 1.771 1.00 0.00 H new ATOM 0 HG2 ARG B 221 49.323 13.623 -0.562 1.00 0.00 H new ATOM 0 HG3 ARG B 221 48.763 15.283 -0.525 1.00 0.00 H new ATOM 0 HD2 ARG B 221 51.679 14.469 -0.095 1.00 0.00 H new ATOM 0 HD3 ARG B 221 51.031 14.968 -1.644 1.00 0.00 H new ATOM 0 HE ARG B 221 50.294 17.048 0.056 1.00 0.00 H new ATOM 0 HH11 ARG B 221 53.245 15.339 -0.769 1.00 0.00 H new ATOM 0 HH12 ARG B 221 54.287 16.739 -0.497 1.00 0.00 H new ATOM 0 HH21 ARG B 221 51.642 18.842 0.405 1.00 0.00 H new ATOM 0 HH22 ARG B 221 53.387 18.707 0.162 1.00 0.00 H new ATOM 954 N LYS B 222 48.427 11.720 1.778 1.00 0.00 N ATOM 955 CA LYS B 222 48.230 10.354 1.309 1.00 0.00 C ATOM 956 C LYS B 222 46.747 9.993 1.313 1.00 0.00 C ATOM 957 O LYS B 222 46.276 9.253 0.449 1.00 0.00 O ATOM 958 CB LYS B 222 48.996 9.377 2.202 1.00 0.00 C ATOM 959 CG LYS B 222 48.902 7.966 1.616 1.00 0.00 C ATOM 960 CD LYS B 222 49.692 6.994 2.493 1.00 0.00 C ATOM 961 CE LYS B 222 51.181 7.097 2.157 1.00 0.00 C ATOM 962 NZ LYS B 222 51.920 5.997 2.837 1.00 0.00 N ATOM 0 H LYS B 222 49.114 11.819 2.525 1.00 0.00 H new ATOM 0 HA LYS B 222 48.607 10.285 0.289 1.00 0.00 H new ATOM 0 HB2 LYS B 222 50.040 9.681 2.280 1.00 0.00 H new ATOM 0 HB3 LYS B 222 48.584 9.391 3.211 1.00 0.00 H new ATOM 0 HG2 LYS B 222 47.859 7.654 1.558 1.00 0.00 H new ATOM 0 HG3 LYS B 222 49.295 7.956 0.599 1.00 0.00 H new ATOM 0 HD2 LYS B 222 49.529 7.224 3.546 1.00 0.00 H new ATOM 0 HD3 LYS B 222 49.342 5.975 2.331 1.00 0.00 H new ATOM 0 HE2 LYS B 222 51.327 7.035 1.079 1.00 0.00 H new ATOM 0 HE3 LYS B 222 51.571 8.063 2.476 1.00 0.00 H new ATOM 0 HZ1 LYS B 222 52.932 6.066 2.609 1.00 0.00 H new ATOM 0 HZ2 LYS B 222 51.790 6.076 3.866 1.00 0.00 H new ATOM 0 HZ3 LYS B 222 51.554 5.080 2.511 1.00 0.00 H new ATOM 976 N GLN B 223 46.017 10.521 2.291 1.00 0.00 N ATOM 977 CA GLN B 223 44.590 10.241 2.399 1.00 0.00 C ATOM 978 C GLN B 223 43.812 10.995 1.325 1.00 0.00 C ATOM 979 O GLN B 223 42.849 10.474 0.763 1.00 0.00 O ATOM 980 CB GLN B 223 44.082 10.651 3.783 1.00 0.00 C ATOM 981 CG GLN B 223 44.530 9.619 4.819 1.00 0.00 C ATOM 982 CD GLN B 223 43.821 8.291 4.572 1.00 0.00 C ATOM 983 OE1 GLN B 223 42.594 8.252 4.470 1.00 0.00 O ATOM 984 NE2 GLN B 223 44.522 7.196 4.472 1.00 0.00 N ATOM 0 H GLN B 223 46.386 11.139 3.013 1.00 0.00 H new ATOM 0 HA GLN B 223 44.437 9.171 2.257 1.00 0.00 H new ATOM 0 HB2 GLN B 223 44.467 11.636 4.046 1.00 0.00 H new ATOM 0 HB3 GLN B 223 42.995 10.725 3.775 1.00 0.00 H new ATOM 0 HG2 GLN B 223 45.610 9.480 4.763 1.00 0.00 H new ATOM 0 HG3 GLN B 223 44.306 9.979 5.823 1.00 0.00 H new ATOM 0 HE21 GLN B 223 45.538 7.231 4.557 1.00 0.00 H new ATOM 0 HE22 GLN B 223 44.054 6.304 4.309 1.00 0.00 H new ATOM 993 N GLU B 224 44.236 12.223 1.047 1.00 0.00 N ATOM 994 CA GLU B 224 43.569 13.041 0.041 1.00 0.00 C ATOM 995 C GLU B 224 43.847 12.504 -1.360 1.00 0.00 C ATOM 996 O GLU B 224 42.961 12.481 -2.214 1.00 0.00 O ATOM 997 CB GLU B 224 44.052 14.489 0.140 1.00 0.00 C ATOM 998 CG GLU B 224 43.256 15.361 -0.832 1.00 0.00 C ATOM 999 CD GLU B 224 43.664 16.822 -0.677 1.00 0.00 C ATOM 1000 OE1 GLU B 224 44.293 17.138 0.320 1.00 0.00 O ATOM 1001 OE2 GLU B 224 43.343 17.604 -1.556 1.00 0.00 O ATOM 0 H GLU B 224 45.032 12.671 1.500 1.00 0.00 H new ATOM 0 HA GLU B 224 42.495 13.003 0.225 1.00 0.00 H new ATOM 0 HB2 GLU B 224 43.928 14.856 1.159 1.00 0.00 H new ATOM 0 HB3 GLU B 224 45.116 14.545 -0.092 1.00 0.00 H new ATOM 0 HG2 GLU B 224 43.433 15.032 -1.856 1.00 0.00 H new ATOM 0 HG3 GLU B 224 42.188 15.251 -0.641 1.00 0.00 H new ATOM 1008 N GLU B 225 45.083 12.073 -1.587 1.00 0.00 N ATOM 1009 CA GLU B 225 45.471 11.549 -2.892 1.00 0.00 C ATOM 1010 C GLU B 225 44.653 10.308 -3.237 1.00 0.00 C ATOM 1011 O GLU B 225 44.226 10.132 -4.377 1.00 0.00 O ATOM 1012 CB GLU B 225 46.960 11.196 -2.892 1.00 0.00 C ATOM 1013 CG GLU B 225 47.787 12.471 -2.716 1.00 0.00 C ATOM 1014 CD GLU B 225 47.603 13.383 -3.924 1.00 0.00 C ATOM 1015 OE1 GLU B 225 47.826 12.919 -5.030 1.00 0.00 O ATOM 1016 OE2 GLU B 225 47.243 14.531 -3.726 1.00 0.00 O ATOM 0 H GLU B 225 45.828 12.076 -0.891 1.00 0.00 H new ATOM 0 HA GLU B 225 45.279 12.317 -3.642 1.00 0.00 H new ATOM 0 HB2 GLU B 225 47.178 10.494 -2.087 1.00 0.00 H new ATOM 0 HB3 GLU B 225 47.228 10.702 -3.826 1.00 0.00 H new ATOM 0 HG2 GLU B 225 47.481 12.990 -1.808 1.00 0.00 H new ATOM 0 HG3 GLU B 225 48.841 12.218 -2.598 1.00 0.00 H new ATOM 1023 N ARG B 226 44.439 9.452 -2.243 1.00 0.00 N ATOM 1024 CA ARG B 226 43.671 8.230 -2.452 1.00 0.00 C ATOM 1025 C ARG B 226 42.232 8.560 -2.836 1.00 0.00 C ATOM 1026 O ARG B 226 41.652 7.924 -3.715 1.00 0.00 O ATOM 1027 CB ARG B 226 43.681 7.383 -1.179 1.00 0.00 C ATOM 1028 CG ARG B 226 45.073 6.782 -0.975 1.00 0.00 C ATOM 1029 CD ARG B 226 45.123 6.053 0.369 1.00 0.00 C ATOM 1030 NE ARG B 226 44.179 4.943 0.377 1.00 0.00 N ATOM 1031 CZ ARG B 226 43.914 4.274 1.494 1.00 0.00 C ATOM 1032 NH1 ARG B 226 44.505 4.606 2.610 1.00 0.00 N ATOM 1033 NH2 ARG B 226 43.065 3.283 1.476 1.00 0.00 N ATOM 0 H ARG B 226 44.784 9.580 -1.292 1.00 0.00 H new ATOM 0 HA ARG B 226 44.131 7.668 -3.265 1.00 0.00 H new ATOM 0 HB2 ARG B 226 43.409 7.996 -0.320 1.00 0.00 H new ATOM 0 HB3 ARG B 226 42.938 6.589 -1.252 1.00 0.00 H new ATOM 0 HG2 ARG B 226 45.304 6.090 -1.785 1.00 0.00 H new ATOM 0 HG3 ARG B 226 45.828 7.568 -1.003 1.00 0.00 H new ATOM 0 HD2 ARG B 226 46.132 5.683 0.552 1.00 0.00 H new ATOM 0 HD3 ARG B 226 44.886 6.747 1.176 1.00 0.00 H new ATOM 0 HE ARG B 226 43.713 4.675 -0.490 1.00 0.00 H new ATOM 0 HH11 ARG B 226 45.170 5.379 2.624 1.00 0.00 H new ATOM 0 HH12 ARG B 226 44.301 4.092 3.467 1.00 0.00 H new ATOM 0 HH21 ARG B 226 42.605 3.022 0.604 1.00 0.00 H new ATOM 0 HH22 ARG B 226 42.862 2.770 2.334 1.00 0.00 H new ATOM 1047 N VAL B 227 41.662 9.558 -2.170 1.00 0.00 N ATOM 1048 CA VAL B 227 40.289 9.964 -2.449 1.00 0.00 C ATOM 1049 C VAL B 227 40.185 10.580 -3.841 1.00 0.00 C ATOM 1050 O VAL B 227 39.237 10.310 -4.579 1.00 0.00 O ATOM 1051 CB VAL B 227 39.822 10.979 -1.404 1.00 0.00 C ATOM 1052 CG1 VAL B 227 38.460 11.543 -1.812 1.00 0.00 C ATOM 1053 CG2 VAL B 227 39.700 10.288 -0.044 1.00 0.00 C ATOM 0 H VAL B 227 42.125 10.097 -1.438 1.00 0.00 H new ATOM 0 HA VAL B 227 39.653 9.080 -2.406 1.00 0.00 H new ATOM 0 HB VAL B 227 40.546 11.791 -1.337 1.00 0.00 H new ATOM 0 HG11 VAL B 227 38.128 12.266 -1.067 1.00 0.00 H new ATOM 0 HG12 VAL B 227 38.545 12.034 -2.782 1.00 0.00 H new ATOM 0 HG13 VAL B 227 37.735 10.732 -1.878 1.00 0.00 H new ATOM 0 HG21 VAL B 227 39.367 11.010 0.702 1.00 0.00 H new ATOM 0 HG22 VAL B 227 38.976 9.476 -0.112 1.00 0.00 H new ATOM 0 HG23 VAL B 227 40.670 9.885 0.248 1.00 0.00 H new ATOM 1063 N GLN B 228 41.164 11.407 -4.192 1.00 0.00 N ATOM 1064 CA GLN B 228 41.162 12.069 -5.491 1.00 0.00 C ATOM 1065 C GLN B 228 41.167 11.040 -6.617 1.00 0.00 C ATOM 1066 O GLN B 228 40.485 11.209 -7.627 1.00 0.00 O ATOM 1067 CB GLN B 228 42.390 12.974 -5.618 1.00 0.00 C ATOM 1068 CG GLN B 228 42.371 13.672 -6.979 1.00 0.00 C ATOM 1069 CD GLN B 228 43.512 14.680 -7.062 1.00 0.00 C ATOM 1070 OE1 GLN B 228 44.309 14.836 -6.042 1.00 0.00 O flip ATOM 1071 NE2 GLN B 228 43.682 15.344 -8.086 1.00 0.00 N flip ATOM 0 H GLN B 228 41.963 11.634 -3.600 1.00 0.00 H new ATOM 0 HA GLN B 228 40.257 12.672 -5.569 1.00 0.00 H new ATOM 0 HB2 GLN B 228 42.394 13.714 -4.818 1.00 0.00 H new ATOM 0 HB3 GLN B 228 43.301 12.385 -5.512 1.00 0.00 H new ATOM 0 HG2 GLN B 228 42.467 12.935 -7.777 1.00 0.00 H new ATOM 0 HG3 GLN B 228 41.416 14.178 -7.125 1.00 0.00 H new ATOM 0 HE21 GLN B 228 43.058 15.221 -8.883 1.00 0.00 H new ATOM 0 HE22 GLN B 228 44.447 16.017 -8.136 1.00 0.00 H new ATOM 1080 N GLN B 229 41.942 9.976 -6.436 1.00 0.00 N ATOM 1081 CA GLN B 229 42.039 8.932 -7.450 1.00 0.00 C ATOM 1082 C GLN B 229 40.693 8.234 -7.630 1.00 0.00 C ATOM 1083 O GLN B 229 40.283 7.937 -8.752 1.00 0.00 O ATOM 1084 CB GLN B 229 43.098 7.906 -7.044 1.00 0.00 C ATOM 1085 CG GLN B 229 44.485 8.543 -7.132 1.00 0.00 C ATOM 1086 CD GLN B 229 45.542 7.563 -6.631 1.00 0.00 C ATOM 1087 OE1 GLN B 229 45.308 6.835 -5.666 1.00 0.00 O ATOM 1088 NE2 GLN B 229 46.699 7.501 -7.233 1.00 0.00 N ATOM 0 H GLN B 229 42.508 9.814 -5.603 1.00 0.00 H new ATOM 0 HA GLN B 229 42.326 9.394 -8.395 1.00 0.00 H new ATOM 0 HB2 GLN B 229 42.910 7.556 -6.029 1.00 0.00 H new ATOM 0 HB3 GLN B 229 43.044 7.034 -7.696 1.00 0.00 H new ATOM 0 HG2 GLN B 229 44.699 8.826 -8.162 1.00 0.00 H new ATOM 0 HG3 GLN B 229 44.513 9.456 -6.538 1.00 0.00 H new ATOM 0 HE21 GLN B 229 46.891 8.105 -8.032 1.00 0.00 H new ATOM 0 HE22 GLN B 229 47.411 6.849 -6.904 1.00 0.00 H new ATOM 1097 N VAL B 230 40.013 7.974 -6.518 1.00 0.00 N ATOM 1098 CA VAL B 230 38.719 7.305 -6.564 1.00 0.00 C ATOM 1099 C VAL B 230 37.695 8.168 -7.293 1.00 0.00 C ATOM 1100 O VAL B 230 36.926 7.673 -8.120 1.00 0.00 O ATOM 1101 CB VAL B 230 38.228 7.016 -5.146 1.00 0.00 C ATOM 1102 CG1 VAL B 230 36.780 6.523 -5.195 1.00 0.00 C ATOM 1103 CG2 VAL B 230 39.111 5.938 -4.512 1.00 0.00 C ATOM 0 H VAL B 230 40.334 8.215 -5.580 1.00 0.00 H new ATOM 0 HA VAL B 230 38.837 6.366 -7.105 1.00 0.00 H new ATOM 0 HB VAL B 230 38.280 7.928 -4.551 1.00 0.00 H new ATOM 0 HG11 VAL B 230 36.431 6.317 -4.183 1.00 0.00 H new ATOM 0 HG12 VAL B 230 36.150 7.289 -5.647 1.00 0.00 H new ATOM 0 HG13 VAL B 230 36.726 5.611 -5.790 1.00 0.00 H new ATOM 0 HG21 VAL B 230 38.762 5.731 -3.500 1.00 0.00 H new ATOM 0 HG22 VAL B 230 39.058 5.027 -5.108 1.00 0.00 H new ATOM 0 HG23 VAL B 230 40.143 6.288 -4.475 1.00 0.00 H new ATOM 1113 N ARG B 231 37.689 9.460 -6.983 1.00 0.00 N ATOM 1114 CA ARG B 231 36.750 10.382 -7.612 1.00 0.00 C ATOM 1115 C ARG B 231 36.998 10.456 -9.115 1.00 0.00 C ATOM 1116 O ARG B 231 36.057 10.465 -9.909 1.00 0.00 O ATOM 1117 CB ARG B 231 36.897 11.777 -6.999 1.00 0.00 C ATOM 1118 CG ARG B 231 35.841 12.710 -7.596 1.00 0.00 C ATOM 1119 CD ARG B 231 35.920 14.075 -6.911 1.00 0.00 C ATOM 1120 NE ARG B 231 37.201 14.713 -7.199 1.00 0.00 N ATOM 1121 CZ ARG B 231 37.643 15.728 -6.466 1.00 0.00 C ATOM 1122 NH1 ARG B 231 36.931 16.171 -5.465 1.00 0.00 N ATOM 1123 NH2 ARG B 231 38.791 16.283 -6.745 1.00 0.00 N ATOM 0 H ARG B 231 38.318 9.890 -6.305 1.00 0.00 H new ATOM 0 HA ARG B 231 35.738 10.015 -7.440 1.00 0.00 H new ATOM 0 HB2 ARG B 231 36.781 11.724 -5.916 1.00 0.00 H new ATOM 0 HB3 ARG B 231 37.895 12.168 -7.194 1.00 0.00 H new ATOM 0 HG2 ARG B 231 36.002 12.820 -8.668 1.00 0.00 H new ATOM 0 HG3 ARG B 231 34.847 12.283 -7.465 1.00 0.00 H new ATOM 0 HD2 ARG B 231 35.104 14.710 -7.256 1.00 0.00 H new ATOM 0 HD3 ARG B 231 35.799 13.957 -5.834 1.00 0.00 H new ATOM 0 HE ARG B 231 37.766 14.373 -7.977 1.00 0.00 H new ATOM 0 HH11 ARG B 231 36.034 15.737 -5.246 1.00 0.00 H new ATOM 0 HH12 ARG B 231 37.272 16.951 -4.903 1.00 0.00 H new ATOM 0 HH21 ARG B 231 39.348 15.937 -7.526 1.00 0.00 H new ATOM 0 HH22 ARG B 231 39.131 17.063 -6.182 1.00 0.00 H new ATOM 1137 N LYS B 232 38.269 10.509 -9.498 1.00 0.00 N ATOM 1138 CA LYS B 232 38.629 10.599 -10.908 1.00 0.00 C ATOM 1139 C LYS B 232 38.005 9.450 -11.694 1.00 0.00 C ATOM 1140 O LYS B 232 37.388 9.663 -12.739 1.00 0.00 O ATOM 1141 CB LYS B 232 40.150 10.559 -11.064 1.00 0.00 C ATOM 1142 CG LYS B 232 40.518 10.735 -12.539 1.00 0.00 C ATOM 1143 CD LYS B 232 42.040 10.744 -12.688 1.00 0.00 C ATOM 1144 CE LYS B 232 42.408 10.937 -14.160 1.00 0.00 C ATOM 1145 NZ LYS B 232 43.891 10.970 -14.302 1.00 0.00 N ATOM 0 H LYS B 232 39.062 10.491 -8.857 1.00 0.00 H new ATOM 0 HA LYS B 232 38.249 11.542 -11.300 1.00 0.00 H new ATOM 0 HB2 LYS B 232 40.608 11.348 -10.468 1.00 0.00 H new ATOM 0 HB3 LYS B 232 40.539 9.611 -10.692 1.00 0.00 H new ATOM 0 HG2 LYS B 232 40.089 9.926 -13.131 1.00 0.00 H new ATOM 0 HG3 LYS B 232 40.099 11.666 -12.921 1.00 0.00 H new ATOM 0 HD2 LYS B 232 42.470 11.545 -12.087 1.00 0.00 H new ATOM 0 HD3 LYS B 232 42.458 9.808 -12.318 1.00 0.00 H new ATOM 0 HE2 LYS B 232 41.993 10.126 -14.759 1.00 0.00 H new ATOM 0 HE3 LYS B 232 41.975 11.864 -14.535 1.00 0.00 H new ATOM 0 HZ1 LYS B 232 44.141 11.101 -15.303 1.00 0.00 H new ATOM 0 HZ2 LYS B 232 44.276 11.758 -13.743 1.00 0.00 H new ATOM 0 HZ3 LYS B 232 44.293 10.074 -13.960 1.00 0.00 H new ATOM 1159 N LYS B 233 38.168 8.234 -11.185 1.00 0.00 N ATOM 1160 CA LYS B 233 37.620 7.058 -11.849 1.00 0.00 C ATOM 1161 C LYS B 233 36.110 6.985 -11.647 1.00 0.00 C ATOM 1162 O LYS B 233 35.413 6.259 -12.357 1.00 0.00 O ATOM 1163 CB LYS B 233 38.274 5.791 -11.294 1.00 0.00 C ATOM 1164 CG LYS B 233 38.039 5.716 -9.784 1.00 0.00 C ATOM 1165 CD LYS B 233 38.592 4.395 -9.245 1.00 0.00 C ATOM 1166 CE LYS B 233 40.119 4.469 -9.182 1.00 0.00 C ATOM 1167 NZ LYS B 233 40.637 3.340 -8.358 1.00 0.00 N ATOM 0 H LYS B 233 38.672 8.038 -10.320 1.00 0.00 H new ATOM 0 HA LYS B 233 37.829 7.135 -12.916 1.00 0.00 H new ATOM 0 HB2 LYS B 233 37.857 4.910 -11.782 1.00 0.00 H new ATOM 0 HB3 LYS B 233 39.343 5.797 -11.507 1.00 0.00 H new ATOM 0 HG2 LYS B 233 38.526 6.556 -9.288 1.00 0.00 H new ATOM 0 HG3 LYS B 233 36.973 5.792 -9.567 1.00 0.00 H new ATOM 0 HD2 LYS B 233 38.186 4.196 -8.253 1.00 0.00 H new ATOM 0 HD3 LYS B 233 38.283 3.570 -9.887 1.00 0.00 H new ATOM 0 HE2 LYS B 233 40.538 4.422 -10.187 1.00 0.00 H new ATOM 0 HE3 LYS B 233 40.430 5.421 -8.751 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 41.675 3.390 -8.315 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 40.247 3.405 -7.396 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 40.351 2.437 -8.788 1.00 0.00 H new ATOM 1181 N LEU B 234 35.611 7.741 -10.674 1.00 0.00 N ATOM 1182 CA LEU B 234 34.183 7.745 -10.380 1.00 0.00 C ATOM 1183 C LEU B 234 33.425 8.567 -11.418 1.00 0.00 C ATOM 1184 O LEU B 234 32.478 8.082 -12.036 1.00 0.00 O ATOM 1185 CB LEU B 234 33.938 8.328 -8.987 1.00 0.00 C ATOM 1186 CG LEU B 234 32.447 8.252 -8.656 1.00 0.00 C ATOM 1187 CD1 LEU B 234 31.993 6.792 -8.674 1.00 0.00 C ATOM 1188 CD2 LEU B 234 32.203 8.844 -7.266 1.00 0.00 C ATOM 0 H LEU B 234 36.170 8.354 -10.080 1.00 0.00 H new ATOM 0 HA LEU B 234 33.822 6.717 -10.412 1.00 0.00 H new ATOM 0 HB2 LEU B 234 34.515 7.777 -8.244 1.00 0.00 H new ATOM 0 HB3 LEU B 234 34.277 9.363 -8.950 1.00 0.00 H new ATOM 0 HG LEU B 234 31.882 8.817 -9.397 1.00 0.00 H new ATOM 0 HD11 LEU B 234 30.930 6.739 -8.438 1.00 0.00 H new ATOM 0 HD12 LEU B 234 32.167 6.369 -9.663 1.00 0.00 H new ATOM 0 HD13 LEU B 234 32.558 6.226 -7.933 1.00 0.00 H new ATOM 0 HD21 LEU B 234 31.140 8.790 -7.029 1.00 0.00 H new ATOM 0 HD22 LEU B 234 32.769 8.279 -6.525 1.00 0.00 H new ATOM 0 HD23 LEU B 234 32.526 9.885 -7.252 1.00 0.00 H new ATOM 1200 N GLU B 235 33.850 9.813 -11.604 1.00 0.00 N ATOM 1201 CA GLU B 235 33.208 10.690 -12.574 1.00 0.00 C ATOM 1202 C GLU B 235 33.423 10.169 -13.991 1.00 0.00 C ATOM 1203 O GLU B 235 32.528 10.243 -14.833 1.00 0.00 O ATOM 1204 CB GLU B 235 33.779 12.106 -12.458 1.00 0.00 C ATOM 1205 CG GLU B 235 33.340 12.726 -11.130 1.00 0.00 C ATOM 1206 CD GLU B 235 33.967 14.105 -10.965 1.00 0.00 C ATOM 1207 OE1 GLU B 235 34.662 14.530 -11.874 1.00 0.00 O ATOM 1208 OE2 GLU B 235 33.745 14.717 -9.934 1.00 0.00 O ATOM 0 H GLU B 235 34.630 10.235 -11.100 1.00 0.00 H new ATOM 0 HA GLU B 235 32.139 10.711 -12.364 1.00 0.00 H new ATOM 0 HB2 GLU B 235 34.867 12.077 -12.516 1.00 0.00 H new ATOM 0 HB3 GLU B 235 33.432 12.719 -13.290 1.00 0.00 H new ATOM 0 HG2 GLU B 235 32.253 12.806 -11.098 1.00 0.00 H new ATOM 0 HG3 GLU B 235 33.637 12.081 -10.303 1.00 0.00 H new ATOM 1215 N GLU B 236 34.616 9.643 -14.247 1.00 0.00 N ATOM 1216 CA GLU B 236 34.943 9.121 -15.569 1.00 0.00 C ATOM 1217 C GLU B 236 33.958 8.029 -15.972 1.00 0.00 C ATOM 1218 O GLU B 236 33.452 8.020 -17.094 1.00 0.00 O ATOM 1219 CB GLU B 236 36.365 8.556 -15.569 1.00 0.00 C ATOM 1220 CG GLU B 236 36.712 8.049 -16.971 1.00 0.00 C ATOM 1221 CD GLU B 236 38.153 7.551 -17.004 1.00 0.00 C ATOM 1222 OE1 GLU B 236 38.737 7.421 -15.941 1.00 0.00 O ATOM 1223 OE2 GLU B 236 38.651 7.308 -18.090 1.00 0.00 O ATOM 0 H GLU B 236 35.368 9.567 -13.562 1.00 0.00 H new ATOM 0 HA GLU B 236 34.877 9.937 -16.289 1.00 0.00 H new ATOM 0 HB2 GLU B 236 37.074 9.326 -15.263 1.00 0.00 H new ATOM 0 HB3 GLU B 236 36.445 7.744 -14.847 1.00 0.00 H new ATOM 0 HG2 GLU B 236 36.034 7.244 -17.254 1.00 0.00 H new ATOM 0 HG3 GLU B 236 36.578 8.849 -17.699 1.00 0.00 H new ATOM 1230 N ALA B 237 33.690 7.110 -15.049 1.00 0.00 N ATOM 1231 CA ALA B 237 32.765 6.016 -15.323 1.00 0.00 C ATOM 1232 C ALA B 237 31.351 6.552 -15.529 1.00 0.00 C ATOM 1233 O ALA B 237 30.523 5.910 -16.175 1.00 0.00 O ATOM 1234 CB ALA B 237 32.772 5.023 -14.159 1.00 0.00 C ATOM 0 H ALA B 237 34.096 7.101 -14.113 1.00 0.00 H new ATOM 0 HA ALA B 237 33.087 5.510 -16.233 1.00 0.00 H new ATOM 0 HB1 ALA B 237 32.079 4.209 -14.371 1.00 0.00 H new ATOM 0 HB2 ALA B 237 33.777 4.620 -14.031 1.00 0.00 H new ATOM 0 HB3 ALA B 237 32.466 5.532 -13.245 1.00 0.00 H new ATOM 1240 N LEU B 238 31.084 7.730 -14.976 1.00 0.00 N ATOM 1241 CA LEU B 238 29.766 8.340 -15.100 1.00 0.00 C ATOM 1242 C LEU B 238 29.645 9.087 -16.425 1.00 0.00 C ATOM 1243 O LEU B 238 28.568 9.145 -17.019 1.00 0.00 O ATOM 1244 CB LEU B 238 29.529 9.310 -13.941 1.00 0.00 C ATOM 1245 CG LEU B 238 29.306 8.520 -12.651 1.00 0.00 C ATOM 1246 CD1 LEU B 238 29.658 9.395 -11.447 1.00 0.00 C ATOM 1247 CD2 LEU B 238 27.838 8.098 -12.561 1.00 0.00 C ATOM 0 H LEU B 238 31.758 8.278 -14.441 1.00 0.00 H new ATOM 0 HA LEU B 238 29.015 7.550 -15.071 1.00 0.00 H new ATOM 0 HB2 LEU B 238 30.385 9.975 -13.829 1.00 0.00 H new ATOM 0 HB3 LEU B 238 28.663 9.938 -14.150 1.00 0.00 H new ATOM 0 HG LEU B 238 29.942 7.634 -12.654 1.00 0.00 H new ATOM 0 HD11 LEU B 238 29.499 8.831 -10.528 1.00 0.00 H new ATOM 0 HD12 LEU B 238 30.703 9.698 -11.510 1.00 0.00 H new ATOM 0 HD13 LEU B 238 29.023 10.281 -11.443 1.00 0.00 H new ATOM 0 HD21 LEU B 238 27.677 7.535 -11.642 1.00 0.00 H new ATOM 0 HD22 LEU B 238 27.204 8.985 -12.559 1.00 0.00 H new ATOM 0 HD23 LEU B 238 27.586 7.474 -13.418 1.00 0.00 H new ATOM 1259 N MET B 239 30.756 9.656 -16.880 1.00 0.00 N ATOM 1260 CA MET B 239 30.762 10.405 -18.131 1.00 0.00 C ATOM 1261 C MET B 239 30.843 9.456 -19.323 1.00 0.00 C ATOM 1262 O MET B 239 30.695 9.872 -20.472 1.00 0.00 O ATOM 1263 CB MET B 239 31.952 11.366 -18.159 1.00 0.00 C ATOM 1264 CG MET B 239 31.764 12.442 -17.088 1.00 0.00 C ATOM 1265 SD MET B 239 33.158 13.594 -17.139 1.00 0.00 S ATOM 1266 CE MET B 239 32.772 14.487 -15.613 1.00 0.00 C ATOM 0 H MET B 239 31.658 9.614 -16.405 1.00 0.00 H new ATOM 0 HA MET B 239 29.835 10.974 -18.197 1.00 0.00 H new ATOM 0 HB2 MET B 239 32.878 10.820 -17.982 1.00 0.00 H new ATOM 0 HB3 MET B 239 32.037 11.828 -19.143 1.00 0.00 H new ATOM 0 HG2 MET B 239 30.830 12.978 -17.256 1.00 0.00 H new ATOM 0 HG3 MET B 239 31.695 11.981 -16.103 1.00 0.00 H new ATOM 0 HE1 MET B 239 32.613 15.541 -15.839 1.00 0.00 H new ATOM 0 HE2 MET B 239 31.869 14.071 -15.167 1.00 0.00 H new ATOM 0 HE3 MET B 239 33.602 14.387 -14.913 1.00 0.00 H new