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 152:sc= -0.146 (180deg=-1.11) USER MOD Single : A 146 LYS NZ :NH3+ -150:sc= 0.542 (180deg=-0.129) USER MOD Single : A 147 GLN : amide:sc= -0.267 K(o=-0.27,f=-1.3!) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 LYS NZ :NH3+ -166:sc=-0.00657 (180deg=-0.195) 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= -0.236 K(o=-0.24,f=-0.81) USER MOD Single : A 168 SER OG : rot -23:sc= 0.129 USER MOD Single : A 169 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 216 THR OG1 : rot -170:sc= -1.51 USER MOD Single : B 222 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 223 GLN : amide:sc= 0.143 K(o=0.14,f=-0.51) USER MOD Single : B 228 GLN : amide:sc=-0.00415 K(o=-0.0041,f=-1.4!) USER MOD Single : B 229 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : B 232 LYS NZ :NH3+ 160:sc= -0.0645 (180deg=-0.483) USER MOD Single : B 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 239 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N GLU A 139 24.850 -4.174 -15.675 1.00 0.00 N ATOM 36 CA GLU A 139 24.365 -3.684 -14.390 1.00 0.00 C ATOM 37 C GLU A 139 25.445 -3.826 -13.322 1.00 0.00 C ATOM 38 O GLU A 139 25.563 -2.986 -12.430 1.00 0.00 O ATOM 39 CB GLU A 139 23.120 -4.468 -13.968 1.00 0.00 C ATOM 40 CG GLU A 139 21.983 -4.189 -14.953 1.00 0.00 C ATOM 41 CD GLU A 139 21.598 -2.715 -14.902 1.00 0.00 C ATOM 42 OE1 GLU A 139 21.929 -2.070 -13.920 1.00 0.00 O ATOM 43 OE2 GLU A 139 20.978 -2.251 -15.845 1.00 0.00 O ATOM 0 HA GLU A 139 24.111 -2.629 -14.496 1.00 0.00 H new ATOM 0 HB2 GLU A 139 23.340 -5.535 -13.943 1.00 0.00 H new ATOM 0 HB3 GLU A 139 22.821 -4.181 -12.960 1.00 0.00 H new ATOM 0 HG2 GLU A 139 22.292 -4.458 -15.963 1.00 0.00 H new ATOM 0 HG3 GLU A 139 21.119 -4.807 -14.709 1.00 0.00 H new ATOM 50 N GLU A 140 26.230 -4.894 -13.419 1.00 0.00 N ATOM 51 CA GLU A 140 27.295 -5.137 -12.453 1.00 0.00 C ATOM 52 C GLU A 140 28.277 -3.970 -12.435 1.00 0.00 C ATOM 53 O GLU A 140 28.733 -3.546 -11.373 1.00 0.00 O ATOM 54 CB GLU A 140 28.039 -6.426 -12.809 1.00 0.00 C ATOM 55 CG GLU A 140 29.119 -6.699 -11.761 1.00 0.00 C ATOM 56 CD GLU A 140 29.836 -8.006 -12.079 1.00 0.00 C ATOM 57 OE1 GLU A 140 29.311 -8.768 -12.875 1.00 0.00 O ATOM 58 OE2 GLU A 140 30.899 -8.227 -11.523 1.00 0.00 O ATOM 0 H GLU A 140 26.150 -5.600 -14.151 1.00 0.00 H new ATOM 0 HA GLU A 140 26.848 -5.237 -11.464 1.00 0.00 H new ATOM 0 HB2 GLU A 140 27.340 -7.261 -12.852 1.00 0.00 H new ATOM 0 HB3 GLU A 140 28.491 -6.337 -13.797 1.00 0.00 H new ATOM 0 HG2 GLU A 140 29.835 -5.877 -11.742 1.00 0.00 H new ATOM 0 HG3 GLU A 140 28.670 -6.753 -10.769 1.00 0.00 H new ATOM 65 N ARG A 141 28.597 -3.454 -13.618 1.00 0.00 N ATOM 66 CA ARG A 141 29.523 -2.332 -13.726 1.00 0.00 C ATOM 67 C ARG A 141 28.961 -1.104 -13.017 1.00 0.00 C ATOM 68 O ARG A 141 29.679 -0.404 -12.303 1.00 0.00 O ATOM 69 CB ARG A 141 29.774 -2.003 -15.199 1.00 0.00 C ATOM 70 CG ARG A 141 30.810 -0.882 -15.302 1.00 0.00 C ATOM 71 CD ARG A 141 31.029 -0.522 -16.772 1.00 0.00 C ATOM 72 NE ARG A 141 31.629 -1.645 -17.483 1.00 0.00 N ATOM 73 CZ ARG A 141 32.944 -1.835 -17.483 1.00 0.00 C ATOM 74 NH1 ARG A 141 33.723 -1.008 -16.839 1.00 0.00 N ATOM 75 NH2 ARG A 141 33.458 -2.847 -18.127 1.00 0.00 N ATOM 0 H ARG A 141 28.232 -3.792 -14.509 1.00 0.00 H new ATOM 0 HA ARG A 141 30.463 -2.613 -13.251 1.00 0.00 H new ATOM 0 HB2 ARG A 141 30.128 -2.889 -15.725 1.00 0.00 H new ATOM 0 HB3 ARG A 141 28.844 -1.698 -15.678 1.00 0.00 H new ATOM 0 HG2 ARG A 141 30.470 -0.006 -14.749 1.00 0.00 H new ATOM 0 HG3 ARG A 141 31.750 -1.199 -14.850 1.00 0.00 H new ATOM 0 HD2 ARG A 141 30.078 -0.256 -17.234 1.00 0.00 H new ATOM 0 HD3 ARG A 141 31.676 0.352 -16.847 1.00 0.00 H new ATOM 0 HE ARG A 141 31.029 -2.296 -17.989 1.00 0.00 H new ATOM 0 HH11 ARG A 141 33.322 -0.216 -16.336 1.00 0.00 H new ATOM 0 HH12 ARG A 141 34.733 -1.154 -16.839 1.00 0.00 H new ATOM 0 HH21 ARG A 141 32.850 -3.493 -18.631 1.00 0.00 H new ATOM 0 HH22 ARG A 141 34.468 -2.992 -18.127 1.00 0.00 H new ATOM 89 N GLU A 142 27.672 -0.849 -13.219 1.00 0.00 N ATOM 90 CA GLU A 142 27.024 0.299 -12.594 1.00 0.00 C ATOM 91 C GLU A 142 26.935 0.108 -11.083 1.00 0.00 C ATOM 92 O GLU A 142 27.077 1.062 -10.318 1.00 0.00 O ATOM 93 CB GLU A 142 25.619 0.482 -13.170 1.00 0.00 C ATOM 94 CG GLU A 142 25.719 0.938 -14.627 1.00 0.00 C ATOM 95 CD GLU A 142 24.328 1.021 -15.244 1.00 0.00 C ATOM 96 OE1 GLU A 142 23.370 0.758 -14.536 1.00 0.00 O ATOM 97 OE2 GLU A 142 24.240 1.346 -16.417 1.00 0.00 O ATOM 0 H GLU A 142 27.060 -1.416 -13.805 1.00 0.00 H new ATOM 0 HA GLU A 142 27.621 1.187 -12.802 1.00 0.00 H new ATOM 0 HB2 GLU A 142 25.065 -0.454 -13.108 1.00 0.00 H new ATOM 0 HB3 GLU A 142 25.068 1.218 -12.585 1.00 0.00 H new ATOM 0 HG2 GLU A 142 26.208 1.911 -14.679 1.00 0.00 H new ATOM 0 HG3 GLU A 142 26.336 0.240 -15.193 1.00 0.00 H new ATOM 104 N ARG A 143 26.699 -1.130 -10.661 1.00 0.00 N ATOM 105 CA ARG A 143 26.583 -1.431 -9.239 1.00 0.00 C ATOM 106 C ARG A 143 27.872 -1.071 -8.507 1.00 0.00 C ATOM 107 O ARG A 143 27.839 -0.508 -7.413 1.00 0.00 O ATOM 108 CB ARG A 143 26.281 -2.918 -9.043 1.00 0.00 C ATOM 109 CG ARG A 143 26.080 -3.206 -7.554 1.00 0.00 C ATOM 110 CD ARG A 143 25.749 -4.687 -7.360 1.00 0.00 C ATOM 111 NE ARG A 143 24.428 -4.984 -7.901 1.00 0.00 N ATOM 112 CZ ARG A 143 24.043 -6.236 -8.126 1.00 0.00 C ATOM 113 NH1 ARG A 143 24.852 -7.225 -7.860 1.00 0.00 N ATOM 114 NH2 ARG A 143 22.856 -6.476 -8.612 1.00 0.00 N ATOM 0 H ARG A 143 26.585 -1.935 -11.277 1.00 0.00 H new ATOM 0 HA ARG A 143 25.767 -0.837 -8.827 1.00 0.00 H new ATOM 0 HB2 ARG A 143 25.387 -3.195 -9.602 1.00 0.00 H new ATOM 0 HB3 ARG A 143 27.101 -3.521 -9.434 1.00 0.00 H new ATOM 0 HG2 ARG A 143 26.981 -2.948 -6.998 1.00 0.00 H new ATOM 0 HG3 ARG A 143 25.274 -2.588 -7.159 1.00 0.00 H new ATOM 0 HD2 ARG A 143 26.500 -5.303 -7.856 1.00 0.00 H new ATOM 0 HD3 ARG A 143 25.780 -4.938 -6.300 1.00 0.00 H new ATOM 0 HE ARG A 143 23.788 -4.218 -8.110 1.00 0.00 H new ATOM 0 HH11 ARG A 143 25.780 -7.037 -7.479 1.00 0.00 H new ATOM 0 HH12 ARG A 143 24.557 -8.186 -8.033 1.00 0.00 H new ATOM 0 HH21 ARG A 143 22.224 -5.703 -8.819 1.00 0.00 H new ATOM 0 HH22 ARG A 143 22.560 -7.437 -8.785 1.00 0.00 H new ATOM 128 N MET A 144 29.006 -1.398 -9.118 1.00 0.00 N ATOM 129 CA MET A 144 30.300 -1.104 -8.513 1.00 0.00 C ATOM 130 C MET A 144 30.451 0.396 -8.277 1.00 0.00 C ATOM 131 O MET A 144 30.975 0.822 -7.248 1.00 0.00 O ATOM 132 CB MET A 144 31.428 -1.595 -9.423 1.00 0.00 C ATOM 133 CG MET A 144 32.776 -1.343 -8.746 1.00 0.00 C ATOM 134 SD MET A 144 34.106 -1.976 -9.798 1.00 0.00 S ATOM 135 CE MET A 144 33.943 -0.760 -11.128 1.00 0.00 C ATOM 0 H MET A 144 29.056 -1.863 -10.024 1.00 0.00 H new ATOM 0 HA MET A 144 30.357 -1.620 -7.555 1.00 0.00 H new ATOM 0 HB2 MET A 144 31.306 -2.658 -9.630 1.00 0.00 H new ATOM 0 HB3 MET A 144 31.388 -1.077 -10.381 1.00 0.00 H new ATOM 0 HG2 MET A 144 32.913 -0.276 -8.570 1.00 0.00 H new ATOM 0 HG3 MET A 144 32.803 -1.832 -7.772 1.00 0.00 H new ATOM 0 HE1 MET A 144 34.907 -0.625 -11.617 1.00 0.00 H new ATOM 0 HE2 MET A 144 33.213 -1.113 -11.856 1.00 0.00 H new ATOM 0 HE3 MET A 144 33.610 0.191 -10.713 1.00 0.00 H new ATOM 145 N ILE A 145 29.986 1.190 -9.236 1.00 0.00 N ATOM 146 CA ILE A 145 30.072 2.641 -9.120 1.00 0.00 C ATOM 147 C ILE A 145 29.262 3.131 -7.924 1.00 0.00 C ATOM 148 O ILE A 145 29.717 3.983 -7.161 1.00 0.00 O ATOM 149 CB ILE A 145 29.550 3.299 -10.398 1.00 0.00 C ATOM 150 CG1 ILE A 145 30.515 3.009 -11.550 1.00 0.00 C ATOM 151 CG2 ILE A 145 29.449 4.811 -10.189 1.00 0.00 C ATOM 152 CD1 ILE A 145 29.910 3.514 -12.862 1.00 0.00 C ATOM 0 H ILE A 145 29.549 0.857 -10.095 1.00 0.00 H new ATOM 0 HA ILE A 145 31.117 2.914 -8.973 1.00 0.00 H new ATOM 0 HB ILE A 145 28.565 2.898 -10.637 1.00 0.00 H new ATOM 0 HG12 ILE A 145 31.473 3.496 -11.368 1.00 0.00 H new ATOM 0 HG13 ILE A 145 30.709 1.938 -11.615 1.00 0.00 H new ATOM 0 HG21 ILE A 145 29.077 5.280 -11.100 1.00 0.00 H new ATOM 0 HG22 ILE A 145 28.764 5.020 -9.367 1.00 0.00 H new ATOM 0 HG23 ILE A 145 30.434 5.212 -9.951 1.00 0.00 H new ATOM 0 HD11 ILE A 145 30.597 3.308 -13.683 1.00 0.00 H new ATOM 0 HD12 ILE A 145 28.963 3.006 -13.045 1.00 0.00 H new ATOM 0 HD13 ILE A 145 29.738 4.588 -12.794 1.00 0.00 H new ATOM 164 N LYS A 146 28.060 2.586 -7.767 1.00 0.00 N ATOM 165 CA LYS A 146 27.195 2.976 -6.660 1.00 0.00 C ATOM 166 C LYS A 146 27.836 2.609 -5.326 1.00 0.00 C ATOM 167 O LYS A 146 27.831 3.401 -4.385 1.00 0.00 O ATOM 168 CB LYS A 146 25.838 2.280 -6.786 1.00 0.00 C ATOM 169 CG LYS A 146 24.915 2.753 -5.661 1.00 0.00 C ATOM 170 CD LYS A 146 23.543 2.094 -5.815 1.00 0.00 C ATOM 171 CE LYS A 146 22.610 2.592 -4.709 1.00 0.00 C ATOM 172 NZ LYS A 146 23.072 2.064 -3.394 1.00 0.00 N ATOM 0 H LYS A 146 27.665 1.879 -8.387 1.00 0.00 H new ATOM 0 HA LYS A 146 27.053 4.056 -6.697 1.00 0.00 H new ATOM 0 HB2 LYS A 146 25.392 2.503 -7.755 1.00 0.00 H new ATOM 0 HB3 LYS A 146 25.966 1.199 -6.735 1.00 0.00 H new ATOM 0 HG2 LYS A 146 25.345 2.499 -4.692 1.00 0.00 H new ATOM 0 HG3 LYS A 146 24.814 3.838 -5.691 1.00 0.00 H new ATOM 0 HD2 LYS A 146 23.123 2.329 -6.793 1.00 0.00 H new ATOM 0 HD3 LYS A 146 23.641 1.010 -5.762 1.00 0.00 H new ATOM 0 HE2 LYS A 146 22.598 3.682 -4.692 1.00 0.00 H new ATOM 0 HE3 LYS A 146 21.589 2.266 -4.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 22.255 1.944 -2.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 23.539 1.146 -3.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 23.744 2.733 -2.968 1.00 0.00 H new ATOM 186 N GLN A 147 28.390 1.402 -5.254 1.00 0.00 N ATOM 187 CA GLN A 147 29.033 0.940 -4.030 1.00 0.00 C ATOM 188 C GLN A 147 30.216 1.836 -3.678 1.00 0.00 C ATOM 189 O GLN A 147 30.370 2.257 -2.532 1.00 0.00 O ATOM 190 CB GLN A 147 29.515 -0.501 -4.204 1.00 0.00 C ATOM 191 CG GLN A 147 28.307 -1.436 -4.301 1.00 0.00 C ATOM 192 CD GLN A 147 28.773 -2.863 -4.568 1.00 0.00 C ATOM 193 OE1 GLN A 147 29.974 -3.131 -4.591 1.00 0.00 O ATOM 194 NE2 GLN A 147 27.888 -3.801 -4.771 1.00 0.00 N ATOM 0 H GLN A 147 28.406 0.732 -6.023 1.00 0.00 H new ATOM 0 HA GLN A 147 28.305 0.982 -3.220 1.00 0.00 H new ATOM 0 HB2 GLN A 147 30.126 -0.585 -5.103 1.00 0.00 H new ATOM 0 HB3 GLN A 147 30.145 -0.789 -3.362 1.00 0.00 H new ATOM 0 HG2 GLN A 147 27.733 -1.399 -3.375 1.00 0.00 H new ATOM 0 HG3 GLN A 147 27.644 -1.105 -5.101 1.00 0.00 H new ATOM 0 HE21 GLN A 147 26.893 -3.576 -4.751 1.00 0.00 H new ATOM 0 HE22 GLN A 147 28.191 -4.758 -4.949 1.00 0.00 H new ATOM 203 N LEU A 148 31.049 2.125 -4.673 1.00 0.00 N ATOM 204 CA LEU A 148 32.213 2.977 -4.459 1.00 0.00 C ATOM 205 C LEU A 148 31.778 4.377 -4.040 1.00 0.00 C ATOM 206 O LEU A 148 32.493 5.069 -3.315 1.00 0.00 O ATOM 207 CB LEU A 148 33.043 3.060 -5.741 1.00 0.00 C ATOM 208 CG LEU A 148 33.668 1.696 -6.035 1.00 0.00 C ATOM 209 CD1 LEU A 148 34.359 1.734 -7.399 1.00 0.00 C ATOM 210 CD2 LEU A 148 34.698 1.366 -4.952 1.00 0.00 C ATOM 0 H LEU A 148 30.941 1.785 -5.628 1.00 0.00 H new ATOM 0 HA LEU A 148 32.819 2.542 -3.664 1.00 0.00 H new ATOM 0 HB2 LEU A 148 32.413 3.370 -6.575 1.00 0.00 H new ATOM 0 HB3 LEU A 148 33.823 3.813 -5.633 1.00 0.00 H new ATOM 0 HG LEU A 148 32.889 0.933 -6.044 1.00 0.00 H new ATOM 0 HD11 LEU A 148 34.805 0.761 -7.608 1.00 0.00 H new ATOM 0 HD12 LEU A 148 33.627 1.972 -8.171 1.00 0.00 H new ATOM 0 HD13 LEU A 148 35.138 2.496 -7.391 1.00 0.00 H new ATOM 0 HD21 LEU A 148 35.145 0.394 -5.159 1.00 0.00 H new ATOM 0 HD22 LEU A 148 35.476 2.129 -4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 148 34.207 1.340 -3.979 1.00 0.00 H new ATOM 222 N LYS A 149 30.601 4.788 -4.500 1.00 0.00 N ATOM 223 CA LYS A 149 30.083 6.111 -4.173 1.00 0.00 C ATOM 224 C LYS A 149 29.791 6.215 -2.680 1.00 0.00 C ATOM 225 O LYS A 149 30.110 7.220 -2.044 1.00 0.00 O ATOM 226 CB LYS A 149 28.804 6.381 -4.966 1.00 0.00 C ATOM 227 CG LYS A 149 28.338 7.816 -4.711 1.00 0.00 C ATOM 228 CD LYS A 149 27.075 8.097 -5.527 1.00 0.00 C ATOM 229 CE LYS A 149 26.628 9.541 -5.296 1.00 0.00 C ATOM 230 NZ LYS A 149 25.443 9.836 -6.150 1.00 0.00 N ATOM 0 H LYS A 149 29.992 4.228 -5.096 1.00 0.00 H new ATOM 0 HA LYS A 149 30.836 6.853 -4.437 1.00 0.00 H new ATOM 0 HB2 LYS A 149 28.985 6.230 -6.030 1.00 0.00 H new ATOM 0 HB3 LYS A 149 28.026 5.677 -4.672 1.00 0.00 H new ATOM 0 HG2 LYS A 149 28.137 7.961 -3.649 1.00 0.00 H new ATOM 0 HG3 LYS A 149 29.125 8.519 -4.985 1.00 0.00 H new ATOM 0 HD2 LYS A 149 27.269 7.931 -6.587 1.00 0.00 H new ATOM 0 HD3 LYS A 149 26.281 7.409 -5.237 1.00 0.00 H new ATOM 0 HE2 LYS A 149 26.380 9.693 -4.246 1.00 0.00 H new ATOM 0 HE3 LYS A 149 27.441 10.227 -5.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 25.138 10.818 -5.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 25.695 9.707 -7.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 24.667 9.189 -5.903 1.00 0.00 H new ATOM 244 N GLU A 150 29.183 5.170 -2.127 1.00 0.00 N ATOM 245 CA GLU A 150 28.841 5.161 -0.710 1.00 0.00 C ATOM 246 C GLU A 150 30.105 5.181 0.144 1.00 0.00 C ATOM 247 O GLU A 150 30.244 6.008 1.045 1.00 0.00 O ATOM 248 CB GLU A 150 28.019 3.914 -0.379 1.00 0.00 C ATOM 249 CG GLU A 150 26.643 4.020 -1.038 1.00 0.00 C ATOM 250 CD GLU A 150 25.847 2.742 -0.792 1.00 0.00 C ATOM 251 OE1 GLU A 150 26.343 1.887 -0.077 1.00 0.00 O ATOM 252 OE2 GLU A 150 24.753 2.638 -1.322 1.00 0.00 O ATOM 0 H GLU A 150 28.919 4.325 -2.634 1.00 0.00 H new ATOM 0 HA GLU A 150 28.252 6.052 -0.491 1.00 0.00 H new ATOM 0 HB2 GLU A 150 28.535 3.021 -0.732 1.00 0.00 H new ATOM 0 HB3 GLU A 150 27.910 3.813 0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 150 26.103 4.877 -0.636 1.00 0.00 H new ATOM 0 HG3 GLU A 150 26.756 4.188 -2.109 1.00 0.00 H new ATOM 259 N GLU A 151 31.024 4.266 -0.148 1.00 0.00 N ATOM 260 CA GLU A 151 32.275 4.190 0.598 1.00 0.00 C ATOM 261 C GLU A 151 33.058 5.492 0.460 1.00 0.00 C ATOM 262 O GLU A 151 33.790 5.886 1.368 1.00 0.00 O ATOM 263 CB GLU A 151 33.121 3.025 0.082 1.00 0.00 C ATOM 264 CG GLU A 151 34.412 2.931 0.898 1.00 0.00 C ATOM 265 CD GLU A 151 35.227 1.723 0.447 1.00 0.00 C ATOM 266 OE1 GLU A 151 34.915 1.180 -0.600 1.00 0.00 O ATOM 267 OE2 GLU A 151 36.151 1.359 1.155 1.00 0.00 O ATOM 0 H GLU A 151 30.928 3.572 -0.889 1.00 0.00 H new ATOM 0 HA GLU A 151 32.041 4.029 1.650 1.00 0.00 H new ATOM 0 HB2 GLU A 151 32.561 2.093 0.159 1.00 0.00 H new ATOM 0 HB3 GLU A 151 33.355 3.170 -0.973 1.00 0.00 H new ATOM 0 HG2 GLU A 151 34.998 3.842 0.774 1.00 0.00 H new ATOM 0 HG3 GLU A 151 34.176 2.846 1.959 1.00 0.00 H new ATOM 274 N LEU A 152 32.899 6.154 -0.681 1.00 0.00 N ATOM 275 CA LEU A 152 33.598 7.410 -0.928 1.00 0.00 C ATOM 276 C LEU A 152 33.179 8.463 0.093 1.00 0.00 C ATOM 277 O LEU A 152 34.017 9.187 0.631 1.00 0.00 O ATOM 278 CB LEU A 152 33.288 7.912 -2.339 1.00 0.00 C ATOM 279 CG LEU A 152 34.018 9.234 -2.583 1.00 0.00 C ATOM 280 CD1 LEU A 152 35.525 9.020 -2.436 1.00 0.00 C ATOM 281 CD2 LEU A 152 33.710 9.732 -3.997 1.00 0.00 C ATOM 0 H LEU A 152 32.297 5.845 -1.444 1.00 0.00 H new ATOM 0 HA LEU A 152 34.670 7.234 -0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 152 33.599 7.172 -3.076 1.00 0.00 H new ATOM 0 HB3 LEU A 152 32.214 8.050 -2.459 1.00 0.00 H new ATOM 0 HG LEU A 152 33.684 9.973 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 152 36.045 9.962 -2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 152 35.746 8.664 -1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 152 35.860 8.281 -3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 152 34.230 10.674 -4.172 1.00 0.00 H new ATOM 0 HD22 LEU A 152 34.045 8.992 -4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 152 32.636 9.885 -4.103 1.00 0.00 H new ATOM 293 N ARG A 153 31.879 8.542 0.355 1.00 0.00 N ATOM 294 CA ARG A 153 31.360 9.514 1.311 1.00 0.00 C ATOM 295 C ARG A 153 31.891 9.222 2.710 1.00 0.00 C ATOM 296 O ARG A 153 32.338 10.125 3.417 1.00 0.00 O ATOM 297 CB ARG A 153 29.831 9.471 1.323 1.00 0.00 C ATOM 298 CG ARG A 153 29.296 10.564 2.250 1.00 0.00 C ATOM 299 CD ARG A 153 27.769 10.499 2.288 1.00 0.00 C ATOM 300 NE ARG A 153 27.234 11.633 3.033 1.00 0.00 N ATOM 301 CZ ARG A 153 27.009 11.552 4.341 1.00 0.00 C ATOM 302 NH1 ARG A 153 27.268 10.443 4.979 1.00 0.00 N ATOM 303 NH2 ARG A 153 26.529 12.580 4.986 1.00 0.00 N ATOM 0 H ARG A 153 31.170 7.950 -0.077 1.00 0.00 H new ATOM 0 HA ARG A 153 31.691 10.507 1.008 1.00 0.00 H new ATOM 0 HB2 ARG A 153 29.445 9.614 0.314 1.00 0.00 H new ATOM 0 HB3 ARG A 153 29.487 8.493 1.660 1.00 0.00 H new ATOM 0 HG2 ARG A 153 29.701 10.435 3.254 1.00 0.00 H new ATOM 0 HG3 ARG A 153 29.620 11.544 1.899 1.00 0.00 H new ATOM 0 HD2 ARG A 153 27.372 10.502 1.273 1.00 0.00 H new ATOM 0 HD3 ARG A 153 27.449 9.566 2.752 1.00 0.00 H new ATOM 0 HE ARG A 153 27.029 12.503 2.542 1.00 0.00 H new ATOM 0 HH11 ARG A 153 27.643 9.640 4.474 1.00 0.00 H new ATOM 0 HH12 ARG A 153 27.096 10.380 5.982 1.00 0.00 H new ATOM 0 HH21 ARG A 153 26.326 13.446 4.487 1.00 0.00 H new ATOM 0 HH22 ARG A 153 26.357 12.517 5.989 1.00 0.00 H new ATOM 317 N LEU A 154 31.839 7.953 3.104 1.00 0.00 N ATOM 318 CA LEU A 154 32.320 7.552 4.421 1.00 0.00 C ATOM 319 C LEU A 154 33.826 7.762 4.526 1.00 0.00 C ATOM 320 O LEU A 154 34.328 8.229 5.548 1.00 0.00 O ATOM 321 CB LEU A 154 31.989 6.079 4.671 1.00 0.00 C ATOM 322 CG LEU A 154 30.473 5.907 4.778 1.00 0.00 C ATOM 323 CD1 LEU A 154 30.133 4.419 4.868 1.00 0.00 C ATOM 324 CD2 LEU A 154 29.967 6.622 6.033 1.00 0.00 C ATOM 0 H LEU A 154 31.472 7.190 2.535 1.00 0.00 H new ATOM 0 HA LEU A 154 31.825 8.168 5.172 1.00 0.00 H new ATOM 0 HB2 LEU A 154 32.379 5.465 3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 154 32.470 5.738 5.588 1.00 0.00 H new ATOM 0 HG LEU A 154 29.996 6.336 3.897 1.00 0.00 H new ATOM 0 HD11 LEU A 154 29.053 4.297 4.944 1.00 0.00 H new ATOM 0 HD12 LEU A 154 30.494 3.909 3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 154 30.610 3.989 5.749 1.00 0.00 H new ATOM 0 HD21 LEU A 154 28.887 6.500 6.110 1.00 0.00 H new ATOM 0 HD22 LEU A 154 30.445 6.193 6.914 1.00 0.00 H new ATOM 0 HD23 LEU A 154 30.209 7.683 5.970 1.00 0.00 H new ATOM 336 N GLU A 155 34.542 7.416 3.461 1.00 0.00 N ATOM 337 CA GLU A 155 35.992 7.569 3.444 1.00 0.00 C ATOM 338 C GLU A 155 36.375 9.038 3.582 1.00 0.00 C ATOM 339 O GLU A 155 37.328 9.378 4.283 1.00 0.00 O ATOM 340 CB GLU A 155 36.562 7.011 2.138 1.00 0.00 C ATOM 341 CG GLU A 155 38.090 7.052 2.189 1.00 0.00 C ATOM 342 CD GLU A 155 38.604 6.056 3.223 1.00 0.00 C ATOM 343 OE1 GLU A 155 37.802 5.283 3.722 1.00 0.00 O ATOM 344 OE2 GLU A 155 39.792 6.080 3.501 1.00 0.00 O ATOM 0 H GLU A 155 34.145 7.030 2.604 1.00 0.00 H new ATOM 0 HA GLU A 155 36.407 7.015 4.286 1.00 0.00 H new ATOM 0 HB2 GLU A 155 36.220 5.987 1.988 1.00 0.00 H new ATOM 0 HB3 GLU A 155 36.200 7.595 1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 155 38.501 6.815 1.208 1.00 0.00 H new ATOM 0 HG3 GLU A 155 38.427 8.057 2.442 1.00 0.00 H new ATOM 351 N GLU A 156 35.625 9.905 2.909 1.00 0.00 N ATOM 352 CA GLU A 156 35.893 11.337 2.966 1.00 0.00 C ATOM 353 C GLU A 156 35.521 11.896 4.336 1.00 0.00 C ATOM 354 O GLU A 156 36.259 12.693 4.914 1.00 0.00 O ATOM 355 CB GLU A 156 35.094 12.062 1.882 1.00 0.00 C ATOM 356 CG GLU A 156 35.467 13.546 1.879 1.00 0.00 C ATOM 357 CD GLU A 156 34.719 14.269 0.763 1.00 0.00 C ATOM 358 OE1 GLU A 156 34.188 13.593 -0.102 1.00 0.00 O ATOM 359 OE2 GLU A 156 34.688 15.488 0.791 1.00 0.00 O ATOM 0 H GLU A 156 34.833 9.643 2.322 1.00 0.00 H new ATOM 0 HA GLU A 156 36.958 11.496 2.798 1.00 0.00 H new ATOM 0 HB2 GLU A 156 35.302 11.622 0.907 1.00 0.00 H new ATOM 0 HB3 GLU A 156 34.026 11.945 2.063 1.00 0.00 H new ATOM 0 HG2 GLU A 156 35.221 13.993 2.842 1.00 0.00 H new ATOM 0 HG3 GLU A 156 36.542 13.659 1.740 1.00 0.00 H new ATOM 366 N ALA A 157 34.371 11.471 4.849 1.00 0.00 N ATOM 367 CA ALA A 157 33.912 11.932 6.154 1.00 0.00 C ATOM 368 C ALA A 157 35.034 11.831 7.182 1.00 0.00 C ATOM 369 O ALA A 157 35.321 12.790 7.898 1.00 0.00 O ATOM 370 CB ALA A 157 32.719 11.093 6.615 1.00 0.00 C ATOM 0 H ALA A 157 33.744 10.813 4.385 1.00 0.00 H new ATOM 0 HA ALA A 157 33.609 12.975 6.064 1.00 0.00 H new ATOM 0 HB1 ALA A 157 32.383 11.444 7.591 1.00 0.00 H new ATOM 0 HB2 ALA A 157 31.907 11.189 5.895 1.00 0.00 H new ATOM 0 HB3 ALA A 157 33.017 10.047 6.689 1.00 0.00 H new ATOM 376 N LYS A 158 35.666 10.664 7.247 1.00 0.00 N ATOM 377 CA LYS A 158 36.758 10.449 8.190 1.00 0.00 C ATOM 378 C LYS A 158 37.896 11.428 7.920 1.00 0.00 C ATOM 379 O LYS A 158 38.504 11.959 8.849 1.00 0.00 O ATOM 380 CB LYS A 158 37.276 9.015 8.072 1.00 0.00 C ATOM 381 CG LYS A 158 36.212 8.043 8.588 1.00 0.00 C ATOM 382 CD LYS A 158 36.726 6.608 8.460 1.00 0.00 C ATOM 383 CE LYS A 158 35.636 5.633 8.911 1.00 0.00 C ATOM 384 NZ LYS A 158 35.452 5.742 10.386 1.00 0.00 N ATOM 0 H LYS A 158 35.443 9.858 6.663 1.00 0.00 H new ATOM 0 HA LYS A 158 36.381 10.615 9.199 1.00 0.00 H new ATOM 0 HB2 LYS A 158 37.517 8.789 7.033 1.00 0.00 H new ATOM 0 HB3 LYS A 158 38.196 8.901 8.645 1.00 0.00 H new ATOM 0 HG2 LYS A 158 35.976 8.264 9.629 1.00 0.00 H new ATOM 0 HG3 LYS A 158 35.289 8.162 8.020 1.00 0.00 H new ATOM 0 HD2 LYS A 158 37.008 6.402 7.427 1.00 0.00 H new ATOM 0 HD3 LYS A 158 37.621 6.476 9.068 1.00 0.00 H new ATOM 0 HE2 LYS A 158 34.700 5.856 8.399 1.00 0.00 H new ATOM 0 HE3 LYS A 158 35.911 4.613 8.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 34.896 4.932 10.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 36.382 5.745 10.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 34.950 6.625 10.609 1.00 0.00 H new ATOM 398 N LEU A 159 38.178 11.662 6.642 1.00 0.00 N ATOM 399 CA LEU A 159 39.249 12.575 6.262 1.00 0.00 C ATOM 400 C LEU A 159 38.985 13.970 6.819 1.00 0.00 C ATOM 401 O LEU A 159 39.857 14.577 7.440 1.00 0.00 O ATOM 402 CB LEU A 159 39.361 12.645 4.738 1.00 0.00 C ATOM 403 CG LEU A 159 40.466 13.630 4.351 1.00 0.00 C ATOM 404 CD1 LEU A 159 41.789 13.186 4.977 1.00 0.00 C ATOM 405 CD2 LEU A 159 40.609 13.661 2.828 1.00 0.00 C ATOM 0 H LEU A 159 37.684 11.236 5.858 1.00 0.00 H new ATOM 0 HA LEU A 159 40.185 12.200 6.677 1.00 0.00 H new ATOM 0 HB2 LEU A 159 39.582 11.657 4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 159 38.411 12.961 4.307 1.00 0.00 H new ATOM 0 HG LEU A 159 40.209 14.625 4.714 1.00 0.00 H new ATOM 0 HD11 LEU A 159 42.576 13.888 4.701 1.00 0.00 H new ATOM 0 HD12 LEU A 159 41.688 13.162 6.062 1.00 0.00 H new ATOM 0 HD13 LEU A 159 42.047 12.191 4.615 1.00 0.00 H new ATOM 0 HD21 LEU A 159 41.396 14.362 2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 159 40.866 12.665 2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 159 39.667 13.977 2.380 1.00 0.00 H new ATOM 417 N VAL A 160 37.774 14.472 6.594 1.00 0.00 N ATOM 418 CA VAL A 160 37.398 15.787 7.098 1.00 0.00 C ATOM 419 C VAL A 160 37.525 15.834 8.617 1.00 0.00 C ATOM 420 O VAL A 160 38.043 16.801 9.177 1.00 0.00 O ATOM 421 CB VAL A 160 35.959 16.109 6.694 1.00 0.00 C ATOM 422 CG1 VAL A 160 35.501 17.384 7.405 1.00 0.00 C ATOM 423 CG2 VAL A 160 35.890 16.319 5.179 1.00 0.00 C ATOM 0 H VAL A 160 37.042 13.992 6.070 1.00 0.00 H new ATOM 0 HA VAL A 160 38.071 16.528 6.665 1.00 0.00 H new ATOM 0 HB VAL A 160 35.309 15.281 6.978 1.00 0.00 H new ATOM 0 HG11 VAL A 160 34.475 17.613 7.117 1.00 0.00 H new ATOM 0 HG12 VAL A 160 35.550 17.237 8.484 1.00 0.00 H new ATOM 0 HG13 VAL A 160 36.151 18.212 7.122 1.00 0.00 H new ATOM 0 HG21 VAL A 160 34.864 16.549 4.890 1.00 0.00 H new ATOM 0 HG22 VAL A 160 36.541 17.147 4.896 1.00 0.00 H new ATOM 0 HG23 VAL A 160 36.216 15.411 4.671 1.00 0.00 H new ATOM 433 N LEU A 161 37.051 14.783 9.277 1.00 0.00 N ATOM 434 CA LEU A 161 37.119 14.713 10.732 1.00 0.00 C ATOM 435 C LEU A 161 38.569 14.756 11.202 1.00 0.00 C ATOM 436 O LEU A 161 38.898 15.437 12.174 1.00 0.00 O ATOM 437 CB LEU A 161 36.458 13.424 11.225 1.00 0.00 C ATOM 438 CG LEU A 161 36.554 13.352 12.750 1.00 0.00 C ATOM 439 CD1 LEU A 161 35.866 14.573 13.364 1.00 0.00 C ATOM 440 CD2 LEU A 161 35.864 12.079 13.243 1.00 0.00 C ATOM 0 H LEU A 161 36.619 13.974 8.832 1.00 0.00 H new ATOM 0 HA LEU A 161 36.589 15.572 11.144 1.00 0.00 H new ATOM 0 HB2 LEU A 161 35.414 13.396 10.914 1.00 0.00 H new ATOM 0 HB3 LEU A 161 36.947 12.558 10.778 1.00 0.00 H new ATOM 0 HG LEU A 161 37.603 13.338 13.047 1.00 0.00 H new ATOM 0 HD11 LEU A 161 35.935 14.521 14.451 1.00 0.00 H new ATOM 0 HD12 LEU A 161 36.355 15.481 13.012 1.00 0.00 H new ATOM 0 HD13 LEU A 161 34.817 14.587 13.067 1.00 0.00 H new ATOM 0 HD21 LEU A 161 35.931 12.026 14.330 1.00 0.00 H new ATOM 0 HD22 LEU A 161 34.816 12.095 12.945 1.00 0.00 H new ATOM 0 HD23 LEU A 161 36.352 11.208 12.806 1.00 0.00 H new ATOM 452 N LEU A 162 39.433 14.027 10.503 1.00 0.00 N ATOM 453 CA LEU A 162 40.847 13.988 10.857 1.00 0.00 C ATOM 454 C LEU A 162 41.442 15.392 10.831 1.00 0.00 C ATOM 455 O LEU A 162 42.227 15.762 11.704 1.00 0.00 O ATOM 456 CB LEU A 162 41.607 13.092 9.878 1.00 0.00 C ATOM 457 CG LEU A 162 43.087 13.055 10.262 1.00 0.00 C ATOM 458 CD1 LEU A 162 43.232 12.531 11.692 1.00 0.00 C ATOM 459 CD2 LEU A 162 43.838 12.129 9.303 1.00 0.00 C ATOM 0 H LEU A 162 39.181 13.459 9.694 1.00 0.00 H new ATOM 0 HA LEU A 162 40.940 13.583 11.865 1.00 0.00 H new ATOM 0 HB2 LEU A 162 41.191 12.084 9.893 1.00 0.00 H new ATOM 0 HB3 LEU A 162 41.494 13.468 8.861 1.00 0.00 H new ATOM 0 HG LEU A 162 43.503 14.061 10.200 1.00 0.00 H new ATOM 0 HD11 LEU A 162 44.287 12.505 11.965 1.00 0.00 H new ATOM 0 HD12 LEU A 162 42.696 13.189 12.377 1.00 0.00 H new ATOM 0 HD13 LEU A 162 42.816 11.525 11.755 1.00 0.00 H new ATOM 0 HD21 LEU A 162 44.893 12.102 9.575 1.00 0.00 H new ATOM 0 HD22 LEU A 162 43.421 11.124 9.366 1.00 0.00 H new ATOM 0 HD23 LEU A 162 43.736 12.501 8.283 1.00 0.00 H new ATOM 471 N LYS A 163 41.062 16.171 9.823 1.00 0.00 N ATOM 472 CA LYS A 163 41.563 17.534 9.692 1.00 0.00 C ATOM 473 C LYS A 163 41.192 18.360 10.919 1.00 0.00 C ATOM 474 O LYS A 163 42.010 19.119 11.439 1.00 0.00 O ATOM 475 CB LYS A 163 40.977 18.187 8.439 1.00 0.00 C ATOM 476 CG LYS A 163 41.561 19.592 8.275 1.00 0.00 C ATOM 477 CD LYS A 163 40.939 20.264 7.049 1.00 0.00 C ATOM 478 CE LYS A 163 41.631 19.757 5.782 1.00 0.00 C ATOM 479 NZ LYS A 163 41.158 20.546 4.609 1.00 0.00 N ATOM 0 H LYS A 163 40.413 15.884 9.090 1.00 0.00 H new ATOM 0 HA LYS A 163 42.649 17.496 9.608 1.00 0.00 H new ATOM 0 HB2 LYS A 163 41.204 17.582 7.561 1.00 0.00 H new ATOM 0 HB3 LYS A 163 39.891 18.240 8.517 1.00 0.00 H new ATOM 0 HG2 LYS A 163 41.364 20.186 9.168 1.00 0.00 H new ATOM 0 HG3 LYS A 163 42.644 19.536 8.162 1.00 0.00 H new ATOM 0 HD2 LYS A 163 39.872 20.047 7.005 1.00 0.00 H new ATOM 0 HD3 LYS A 163 41.041 21.347 7.124 1.00 0.00 H new ATOM 0 HE2 LYS A 163 42.712 19.849 5.884 1.00 0.00 H new ATOM 0 HE3 LYS A 163 41.413 18.699 5.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 41.628 20.202 3.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 40.129 20.437 4.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 41.387 21.550 4.751 1.00 0.00 H new ATOM 493 N LYS A 164 39.954 18.205 11.378 1.00 0.00 N ATOM 494 CA LYS A 164 39.490 18.932 12.554 1.00 0.00 C ATOM 495 C LYS A 164 40.319 18.555 13.777 1.00 0.00 C ATOM 496 O LYS A 164 40.610 19.397 14.626 1.00 0.00 O ATOM 497 CB LYS A 164 38.016 18.614 12.816 1.00 0.00 C ATOM 498 CG LYS A 164 37.157 19.229 11.709 1.00 0.00 C ATOM 499 CD LYS A 164 35.683 18.914 11.972 1.00 0.00 C ATOM 500 CE LYS A 164 34.824 19.527 10.865 1.00 0.00 C ATOM 501 NZ LYS A 164 33.391 19.200 11.109 1.00 0.00 N ATOM 0 H LYS A 164 39.259 17.588 10.958 1.00 0.00 H new ATOM 0 HA LYS A 164 39.603 20.000 12.367 1.00 0.00 H new ATOM 0 HB2 LYS A 164 37.866 17.535 12.850 1.00 0.00 H new ATOM 0 HB3 LYS A 164 37.715 19.008 13.786 1.00 0.00 H new ATOM 0 HG2 LYS A 164 37.309 20.308 11.674 1.00 0.00 H new ATOM 0 HG3 LYS A 164 37.457 18.833 10.739 1.00 0.00 H new ATOM 0 HD2 LYS A 164 35.532 17.835 12.009 1.00 0.00 H new ATOM 0 HD3 LYS A 164 35.383 19.311 12.942 1.00 0.00 H new ATOM 0 HE2 LYS A 164 34.962 20.608 10.839 1.00 0.00 H new ATOM 0 HE3 LYS A 164 35.135 19.143 9.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 32.807 19.617 10.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 33.266 18.168 11.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 33.098 19.587 12.029 1.00 0.00 H new ATOM 515 N LEU A 165 40.698 17.283 13.859 1.00 0.00 N ATOM 516 CA LEU A 165 41.493 16.805 14.984 1.00 0.00 C ATOM 517 C LEU A 165 42.841 17.517 15.027 1.00 0.00 C ATOM 518 O LEU A 165 43.338 17.864 16.098 1.00 0.00 O ATOM 519 CB LEU A 165 41.715 15.296 14.862 1.00 0.00 C ATOM 520 CG LEU A 165 40.379 14.569 15.017 1.00 0.00 C ATOM 521 CD1 LEU A 165 40.580 13.072 14.776 1.00 0.00 C ATOM 522 CD2 LEU A 165 39.842 14.788 16.434 1.00 0.00 C ATOM 0 H LEU A 165 40.470 16.570 13.166 1.00 0.00 H new ATOM 0 HA LEU A 165 40.951 17.019 15.905 1.00 0.00 H new ATOM 0 HB2 LEU A 165 42.159 15.060 13.895 1.00 0.00 H new ATOM 0 HB3 LEU A 165 42.416 14.958 15.626 1.00 0.00 H new ATOM 0 HG LEU A 165 39.666 14.961 14.291 1.00 0.00 H new ATOM 0 HD11 LEU A 165 39.627 12.554 14.887 1.00 0.00 H new ATOM 0 HD12 LEU A 165 40.964 12.914 13.768 1.00 0.00 H new ATOM 0 HD13 LEU A 165 41.293 12.679 15.501 1.00 0.00 H new ATOM 0 HD21 LEU A 165 38.889 14.270 16.546 1.00 0.00 H new ATOM 0 HD22 LEU A 165 40.556 14.396 17.158 1.00 0.00 H new ATOM 0 HD23 LEU A 165 39.698 15.854 16.608 1.00 0.00 H new ATOM 534 N ARG A 166 43.427 17.732 13.853 1.00 0.00 N ATOM 535 CA ARG A 166 44.721 18.398 13.766 1.00 0.00 C ATOM 536 C ARG A 166 44.624 19.827 14.291 1.00 0.00 C ATOM 537 O ARG A 166 45.504 20.295 15.012 1.00 0.00 O ATOM 538 CB ARG A 166 45.201 18.416 12.314 1.00 0.00 C ATOM 539 CG ARG A 166 46.595 19.043 12.244 1.00 0.00 C ATOM 540 CD ARG A 166 47.115 18.971 10.807 1.00 0.00 C ATOM 541 NE ARG A 166 46.298 19.804 9.933 1.00 0.00 N ATOM 542 CZ ARG A 166 46.435 19.754 8.612 1.00 0.00 C ATOM 543 NH1 ARG A 166 47.312 18.949 8.077 1.00 0.00 N ATOM 544 NH2 ARG A 166 45.693 20.509 7.849 1.00 0.00 N ATOM 0 H ARG A 166 43.029 17.457 12.955 1.00 0.00 H new ATOM 0 HA ARG A 166 45.435 17.847 14.378 1.00 0.00 H new ATOM 0 HB2 ARG A 166 45.227 17.402 11.916 1.00 0.00 H new ATOM 0 HB3 ARG A 166 44.504 18.983 11.697 1.00 0.00 H new ATOM 0 HG2 ARG A 166 46.556 20.080 12.576 1.00 0.00 H new ATOM 0 HG3 ARG A 166 47.275 18.519 12.915 1.00 0.00 H new ATOM 0 HD2 ARG A 166 48.153 19.302 10.771 1.00 0.00 H new ATOM 0 HD3 ARG A 166 47.098 17.939 10.458 1.00 0.00 H new ATOM 0 HE ARG A 166 45.610 20.436 10.342 1.00 0.00 H new ATOM 0 HH11 ARG A 166 47.892 18.358 8.673 1.00 0.00 H new ATOM 0 HH12 ARG A 166 47.417 18.911 7.063 1.00 0.00 H new ATOM 0 HH21 ARG A 166 45.007 21.138 8.266 1.00 0.00 H new ATOM 0 HH22 ARG A 166 45.799 20.470 6.835 1.00 0.00 H new ATOM 558 N GLN A 167 43.547 20.514 13.923 1.00 0.00 N ATOM 559 CA GLN A 167 43.347 21.892 14.359 1.00 0.00 C ATOM 560 C GLN A 167 42.859 21.930 15.804 1.00 0.00 C ATOM 561 O GLN A 167 42.942 22.962 16.470 1.00 0.00 O ATOM 562 CB GLN A 167 42.326 22.583 13.454 1.00 0.00 C ATOM 563 CG GLN A 167 42.223 24.061 13.836 1.00 0.00 C ATOM 564 CD GLN A 167 43.561 24.754 13.604 1.00 0.00 C ATOM 565 OE1 GLN A 167 44.232 24.491 12.606 1.00 0.00 O ATOM 566 NE2 GLN A 167 43.990 25.630 14.470 1.00 0.00 N ATOM 0 H GLN A 167 42.805 20.143 13.329 1.00 0.00 H new ATOM 0 HA GLN A 167 44.300 22.416 14.296 1.00 0.00 H new ATOM 0 HB2 GLN A 167 42.625 22.486 12.410 1.00 0.00 H new ATOM 0 HB3 GLN A 167 41.353 22.102 13.553 1.00 0.00 H new ATOM 0 HG2 GLN A 167 41.446 24.545 13.244 1.00 0.00 H new ATOM 0 HG3 GLN A 167 41.932 24.155 14.882 1.00 0.00 H new ATOM 0 HE21 GLN A 167 43.432 25.846 15.296 1.00 0.00 H new ATOM 0 HE22 GLN A 167 44.883 26.099 14.321 1.00 0.00 H new ATOM 575 N SER A 168 42.351 20.799 16.282 1.00 0.00 N ATOM 576 CA SER A 168 41.834 20.721 17.643 1.00 0.00 C ATOM 577 C SER A 168 42.976 20.547 18.639 1.00 0.00 C ATOM 578 O SER A 168 42.811 20.785 19.836 1.00 0.00 O ATOM 579 CB SER A 168 40.862 19.547 17.767 1.00 0.00 C ATOM 580 OG SER A 168 40.306 19.534 19.075 1.00 0.00 O ATOM 0 H SER A 168 42.286 19.930 15.752 1.00 0.00 H new ATOM 0 HA SER A 168 41.309 21.650 17.867 1.00 0.00 H new ATOM 0 HB2 SER A 168 40.070 19.636 17.024 1.00 0.00 H new ATOM 0 HB3 SER A 168 41.380 18.608 17.570 1.00 0.00 H new ATOM 0 HG SER A 168 40.909 20.000 19.691 1.00 0.00 H new ATOM 586 N GLN A 169 44.133 20.129 18.137 1.00 0.00 N ATOM 587 CA GLN A 169 45.294 19.917 18.994 1.00 0.00 C ATOM 588 C GLN A 169 46.193 21.149 18.992 1.00 0.00 C ATOM 589 O GLN A 169 47.159 21.226 19.751 1.00 0.00 O ATOM 590 CB GLN A 169 46.088 18.703 18.507 1.00 0.00 C ATOM 591 CG GLN A 169 45.255 17.435 18.705 1.00 0.00 C ATOM 592 CD GLN A 169 46.004 16.228 18.150 1.00 0.00 C ATOM 593 OE1 GLN A 169 45.482 15.511 17.297 1.00 0.00 O ATOM 594 NE2 GLN A 169 47.204 15.959 18.587 1.00 0.00 N ATOM 0 H GLN A 169 44.292 19.932 17.149 1.00 0.00 H new ATOM 0 HA GLN A 169 44.944 19.738 20.011 1.00 0.00 H new ATOM 0 HB2 GLN A 169 46.345 18.822 17.454 1.00 0.00 H new ATOM 0 HB3 GLN A 169 47.026 18.624 19.057 1.00 0.00 H new ATOM 0 HG2 GLN A 169 45.047 17.288 19.765 1.00 0.00 H new ATOM 0 HG3 GLN A 169 44.293 17.539 18.203 1.00 0.00 H new ATOM 0 HE21 GLN A 169 47.635 16.555 19.294 1.00 0.00 H new ATOM 0 HE22 GLN A 169 47.711 15.153 18.221 1.00 0.00 H new ATOM 823 N ILE B 214 50.221 10.013 16.638 1.00 0.00 N ATOM 824 CA ILE B 214 50.395 11.400 16.222 1.00 0.00 C ATOM 825 C ILE B 214 50.158 11.542 14.722 1.00 0.00 C ATOM 826 O ILE B 214 50.799 10.868 13.915 1.00 0.00 O ATOM 827 CB ILE B 214 51.808 11.874 16.565 1.00 0.00 C ATOM 828 CG1 ILE B 214 51.998 11.850 18.083 1.00 0.00 C ATOM 829 CG2 ILE B 214 52.007 13.301 16.050 1.00 0.00 C ATOM 830 CD1 ILE B 214 53.473 12.083 18.417 1.00 0.00 C ATOM 0 HA ILE B 214 49.668 12.014 16.753 1.00 0.00 H new ATOM 0 HB ILE B 214 52.537 11.213 16.096 1.00 0.00 H new ATOM 0 HG12 ILE B 214 51.383 12.619 18.549 1.00 0.00 H new ATOM 0 HG13 ILE B 214 51.670 10.892 18.486 1.00 0.00 H new ATOM 0 HG21 ILE B 214 53.014 13.639 16.294 1.00 0.00 H new ATOM 0 HG22 ILE B 214 51.870 13.320 14.969 1.00 0.00 H new ATOM 0 HG23 ILE B 214 51.279 13.962 16.519 1.00 0.00 H new ATOM 0 HD11 ILE B 214 53.608 12.066 19.498 1.00 0.00 H new ATOM 0 HD12 ILE B 214 54.077 11.297 17.963 1.00 0.00 H new ATOM 0 HD13 ILE B 214 53.786 13.052 18.028 1.00 0.00 H new ATOM 842 N VAL B 215 49.233 12.423 14.355 1.00 0.00 N ATOM 843 CA VAL B 215 48.923 12.650 12.948 1.00 0.00 C ATOM 844 C VAL B 215 49.878 13.677 12.348 1.00 0.00 C ATOM 845 O VAL B 215 50.082 14.753 12.911 1.00 0.00 O ATOM 846 CB VAL B 215 47.483 13.144 12.805 1.00 0.00 C ATOM 847 CG1 VAL B 215 47.109 13.201 11.323 1.00 0.00 C ATOM 848 CG2 VAL B 215 46.541 12.182 13.531 1.00 0.00 C ATOM 0 H VAL B 215 48.688 12.988 15.007 1.00 0.00 H new ATOM 0 HA VAL B 215 49.039 11.708 12.412 1.00 0.00 H new ATOM 0 HB VAL B 215 47.394 14.139 13.241 1.00 0.00 H new ATOM 0 HG11 VAL B 215 46.083 13.553 11.220 1.00 0.00 H new ATOM 0 HG12 VAL B 215 47.781 13.885 10.804 1.00 0.00 H new ATOM 0 HG13 VAL B 215 47.197 12.206 10.887 1.00 0.00 H new ATOM 0 HG21 VAL B 215 45.514 12.533 13.430 1.00 0.00 H new ATOM 0 HG22 VAL B 215 46.629 11.187 13.094 1.00 0.00 H new ATOM 0 HG23 VAL B 215 46.808 12.139 14.587 1.00 0.00 H new ATOM 858 N THR B 216 50.459 13.338 11.202 1.00 0.00 N ATOM 859 CA THR B 216 51.397 14.236 10.537 1.00 0.00 C ATOM 860 C THR B 216 50.714 14.965 9.384 1.00 0.00 C ATOM 861 O THR B 216 49.708 14.498 8.851 1.00 0.00 O ATOM 862 CB THR B 216 52.592 13.442 10.005 1.00 0.00 C ATOM 863 OG1 THR B 216 52.209 12.746 8.827 1.00 0.00 O ATOM 864 CG2 THR B 216 53.054 12.440 11.064 1.00 0.00 C ATOM 0 H THR B 216 50.299 12.455 10.717 1.00 0.00 H new ATOM 0 HA THR B 216 51.744 14.972 11.263 1.00 0.00 H new ATOM 0 HB THR B 216 53.409 14.126 9.775 1.00 0.00 H new ATOM 0 HG1 THR B 216 52.917 12.117 8.574 1.00 0.00 H new ATOM 0 HG21 THR B 216 53.905 11.875 10.684 1.00 0.00 H new ATOM 0 HG22 THR B 216 53.348 12.975 11.967 1.00 0.00 H new ATOM 0 HG23 THR B 216 52.239 11.755 11.297 1.00 0.00 H new ATOM 872 N ASP B 217 51.268 16.112 9.005 1.00 0.00 N ATOM 873 CA ASP B 217 50.696 16.903 7.922 1.00 0.00 C ATOM 874 C ASP B 217 50.756 16.133 6.606 1.00 0.00 C ATOM 875 O ASP B 217 49.806 16.149 5.823 1.00 0.00 O ATOM 876 CB ASP B 217 51.459 18.222 7.779 1.00 0.00 C ATOM 877 CG ASP B 217 50.968 19.223 8.818 1.00 0.00 C ATOM 878 OD1 ASP B 217 50.005 18.915 9.501 1.00 0.00 O ATOM 879 OD2 ASP B 217 51.562 20.285 8.916 1.00 0.00 O ATOM 0 H ASP B 217 52.106 16.512 9.428 1.00 0.00 H new ATOM 0 HA ASP B 217 49.653 17.111 8.161 1.00 0.00 H new ATOM 0 HB2 ASP B 217 52.528 18.049 7.905 1.00 0.00 H new ATOM 0 HB3 ASP B 217 51.318 18.627 6.777 1.00 0.00 H new ATOM 884 N GLU B 218 51.877 15.460 6.370 1.00 0.00 N ATOM 885 CA GLU B 218 52.055 14.700 5.139 1.00 0.00 C ATOM 886 C GLU B 218 51.101 13.510 5.100 1.00 0.00 C ATOM 887 O GLU B 218 50.321 13.358 4.160 1.00 0.00 O ATOM 888 CB GLU B 218 53.498 14.202 5.036 1.00 0.00 C ATOM 889 CG GLU B 218 54.087 14.051 6.440 1.00 0.00 C ATOM 890 CD GLU B 218 55.413 13.301 6.371 1.00 0.00 C ATOM 891 OE1 GLU B 218 55.733 12.801 5.305 1.00 0.00 O ATOM 892 OE2 GLU B 218 56.088 13.237 7.385 1.00 0.00 O ATOM 0 H GLU B 218 52.671 15.425 7.010 1.00 0.00 H new ATOM 0 HA GLU B 218 51.835 15.355 4.296 1.00 0.00 H new ATOM 0 HB2 GLU B 218 53.528 13.246 4.513 1.00 0.00 H new ATOM 0 HB3 GLU B 218 54.095 14.903 4.453 1.00 0.00 H new ATOM 0 HG2 GLU B 218 54.238 15.033 6.888 1.00 0.00 H new ATOM 0 HG3 GLU B 218 53.388 13.513 7.081 1.00 0.00 H new ATOM 899 N ASP B 219 51.169 12.670 6.128 1.00 0.00 N ATOM 900 CA ASP B 219 50.308 11.495 6.200 1.00 0.00 C ATOM 901 C ASP B 219 48.880 11.851 5.800 1.00 0.00 C ATOM 902 O ASP B 219 48.192 11.064 5.150 1.00 0.00 O ATOM 903 CB ASP B 219 50.316 10.928 7.620 1.00 0.00 C ATOM 904 CG ASP B 219 49.653 9.554 7.637 1.00 0.00 C ATOM 905 OD1 ASP B 219 50.194 8.650 7.022 1.00 0.00 O ATOM 906 OD2 ASP B 219 48.615 9.427 8.265 1.00 0.00 O ATOM 0 H ASP B 219 51.806 12.780 6.917 1.00 0.00 H new ATOM 0 HA ASP B 219 50.690 10.745 5.508 1.00 0.00 H new ATOM 0 HB2 ASP B 219 51.341 10.851 7.984 1.00 0.00 H new ATOM 0 HB3 ASP B 219 49.789 11.604 8.293 1.00 0.00 H new ATOM 911 N ILE B 220 48.439 13.041 6.195 1.00 0.00 N ATOM 912 CA ILE B 220 47.090 13.491 5.871 1.00 0.00 C ATOM 913 C ILE B 220 46.948 13.723 4.370 1.00 0.00 C ATOM 914 O ILE B 220 45.943 13.346 3.767 1.00 0.00 O ATOM 915 CB ILE B 220 46.779 14.787 6.621 1.00 0.00 C ATOM 916 CG1 ILE B 220 46.649 14.491 8.117 1.00 0.00 C ATOM 917 CG2 ILE B 220 45.464 15.374 6.103 1.00 0.00 C ATOM 918 CD1 ILE B 220 46.544 15.806 8.891 1.00 0.00 C ATOM 0 H ILE B 220 48.991 13.707 6.736 1.00 0.00 H new ATOM 0 HA ILE B 220 46.386 12.717 6.175 1.00 0.00 H new ATOM 0 HB ILE B 220 47.585 15.502 6.459 1.00 0.00 H new ATOM 0 HG12 ILE B 220 45.768 13.877 8.302 1.00 0.00 H new ATOM 0 HG13 ILE B 220 47.512 13.922 8.462 1.00 0.00 H new ATOM 0 HG21 ILE B 220 45.242 16.298 6.638 1.00 0.00 H new ATOM 0 HG22 ILE B 220 45.554 15.584 5.037 1.00 0.00 H new ATOM 0 HG23 ILE B 220 44.658 14.659 6.265 1.00 0.00 H new ATOM 0 HD11 ILE B 220 46.451 15.595 9.956 1.00 0.00 H new ATOM 0 HD12 ILE B 220 47.439 16.404 8.716 1.00 0.00 H new ATOM 0 HD13 ILE B 220 45.667 16.358 8.553 1.00 0.00 H new ATOM 930 N ARG B 221 47.959 14.346 3.773 1.00 0.00 N ATOM 931 CA ARG B 221 47.934 14.624 2.342 1.00 0.00 C ATOM 932 C ARG B 221 47.798 13.331 1.545 1.00 0.00 C ATOM 933 O ARG B 221 47.021 13.257 0.593 1.00 0.00 O ATOM 934 CB ARG B 221 49.217 15.348 1.928 1.00 0.00 C ATOM 935 CG ARG B 221 49.142 15.713 0.444 1.00 0.00 C ATOM 936 CD ARG B 221 50.409 16.468 0.039 1.00 0.00 C ATOM 937 NE ARG B 221 50.347 16.839 -1.370 1.00 0.00 N ATOM 938 CZ ARG B 221 51.333 17.518 -1.946 1.00 0.00 C ATOM 939 NH1 ARG B 221 52.381 17.865 -1.249 1.00 0.00 N ATOM 940 NH2 ARG B 221 51.255 17.838 -3.208 1.00 0.00 N ATOM 0 H ARG B 221 48.800 14.666 4.254 1.00 0.00 H new ATOM 0 HA ARG B 221 47.074 15.259 2.131 1.00 0.00 H new ATOM 0 HB2 ARG B 221 49.349 16.248 2.528 1.00 0.00 H new ATOM 0 HB3 ARG B 221 50.082 14.711 2.113 1.00 0.00 H new ATOM 0 HG2 ARG B 221 49.036 14.811 -0.158 1.00 0.00 H new ATOM 0 HG3 ARG B 221 48.263 16.329 0.254 1.00 0.00 H new ATOM 0 HD2 ARG B 221 50.520 17.362 0.653 1.00 0.00 H new ATOM 0 HD3 ARG B 221 51.285 15.846 0.220 1.00 0.00 H new ATOM 0 HE ARG B 221 49.532 16.573 -1.923 1.00 0.00 H new ATOM 0 HH11 ARG B 221 52.443 17.615 -0.262 1.00 0.00 H new ATOM 0 HH12 ARG B 221 53.138 18.386 -1.691 1.00 0.00 H new ATOM 0 HH21 ARG B 221 50.437 17.567 -3.753 1.00 0.00 H new ATOM 0 HH22 ARG B 221 52.012 18.359 -3.650 1.00 0.00 H new ATOM 954 N LYS B 222 48.558 12.315 1.939 1.00 0.00 N ATOM 955 CA LYS B 222 48.511 11.028 1.254 1.00 0.00 C ATOM 956 C LYS B 222 47.106 10.439 1.314 1.00 0.00 C ATOM 957 O LYS B 222 46.675 9.742 0.394 1.00 0.00 O ATOM 958 CB LYS B 222 49.502 10.056 1.897 1.00 0.00 C ATOM 959 CG LYS B 222 49.752 8.881 0.950 1.00 0.00 C ATOM 960 CD LYS B 222 50.880 9.236 -0.020 1.00 0.00 C ATOM 961 CE LYS B 222 51.204 8.023 -0.893 1.00 0.00 C ATOM 962 NZ LYS B 222 52.314 8.365 -1.826 1.00 0.00 N ATOM 0 H LYS B 222 49.209 12.356 2.723 1.00 0.00 H new ATOM 0 HA LYS B 222 48.782 11.185 0.210 1.00 0.00 H new ATOM 0 HB2 LYS B 222 50.440 10.567 2.115 1.00 0.00 H new ATOM 0 HB3 LYS B 222 49.108 9.694 2.847 1.00 0.00 H new ATOM 0 HG2 LYS B 222 50.016 7.991 1.521 1.00 0.00 H new ATOM 0 HG3 LYS B 222 48.843 8.647 0.396 1.00 0.00 H new ATOM 0 HD2 LYS B 222 50.584 10.079 -0.645 1.00 0.00 H new ATOM 0 HD3 LYS B 222 51.766 9.546 0.534 1.00 0.00 H new ATOM 0 HE2 LYS B 222 51.488 7.177 -0.267 1.00 0.00 H new ATOM 0 HE3 LYS B 222 50.321 7.721 -1.456 1.00 0.00 H new ATOM 0 HZ1 LYS B 222 52.535 7.540 -2.420 1.00 0.00 H new ATOM 0 HZ2 LYS B 222 52.026 9.160 -2.431 1.00 0.00 H new ATOM 0 HZ3 LYS B 222 53.157 8.633 -1.279 1.00 0.00 H new ATOM 976 N GLN B 223 46.396 10.722 2.401 1.00 0.00 N ATOM 977 CA GLN B 223 45.040 10.212 2.570 1.00 0.00 C ATOM 978 C GLN B 223 44.084 10.897 1.598 1.00 0.00 C ATOM 979 O GLN B 223 43.227 10.250 0.996 1.00 0.00 O ATOM 980 CB GLN B 223 44.568 10.448 4.006 1.00 0.00 C ATOM 981 CG GLN B 223 45.331 9.522 4.954 1.00 0.00 C ATOM 982 CD GLN B 223 44.933 9.811 6.397 1.00 0.00 C ATOM 983 OE1 GLN B 223 43.746 9.916 6.706 1.00 0.00 O ATOM 984 NE2 GLN B 223 45.860 9.946 7.305 1.00 0.00 N ATOM 0 H GLN B 223 46.733 11.297 3.173 1.00 0.00 H new ATOM 0 HA GLN B 223 45.046 9.142 2.362 1.00 0.00 H new ATOM 0 HB2 GLN B 223 44.732 11.488 4.287 1.00 0.00 H new ATOM 0 HB3 GLN B 223 43.497 10.262 4.083 1.00 0.00 H new ATOM 0 HG2 GLN B 223 45.116 8.481 4.710 1.00 0.00 H new ATOM 0 HG3 GLN B 223 46.404 9.664 4.829 1.00 0.00 H new ATOM 0 HE21 GLN B 223 46.843 9.859 7.047 1.00 0.00 H new ATOM 0 HE22 GLN B 223 45.602 10.139 8.273 1.00 0.00 H new ATOM 993 N GLU B 224 44.238 12.209 1.451 1.00 0.00 N ATOM 994 CA GLU B 224 43.386 12.970 0.544 1.00 0.00 C ATOM 995 C GLU B 224 43.652 12.571 -0.904 1.00 0.00 C ATOM 996 O GLU B 224 42.723 12.429 -1.699 1.00 0.00 O ATOM 997 CB GLU B 224 43.644 14.468 0.719 1.00 0.00 C ATOM 998 CG GLU B 224 42.680 15.259 -0.167 1.00 0.00 C ATOM 999 CD GLU B 224 42.898 16.755 0.032 1.00 0.00 C ATOM 1000 OE1 GLU B 224 43.558 17.115 0.993 1.00 0.00 O ATOM 1001 OE2 GLU B 224 42.402 17.519 -0.779 1.00 0.00 O ATOM 0 H GLU B 224 44.938 12.763 1.943 1.00 0.00 H new ATOM 0 HA GLU B 224 42.346 12.750 0.783 1.00 0.00 H new ATOM 0 HB2 GLU B 224 43.511 14.751 1.763 1.00 0.00 H new ATOM 0 HB3 GLU B 224 44.675 14.704 0.454 1.00 0.00 H new ATOM 0 HG2 GLU B 224 42.836 14.996 -1.213 1.00 0.00 H new ATOM 0 HG3 GLU B 224 41.650 14.997 0.077 1.00 0.00 H new ATOM 1008 N GLU B 225 44.925 12.392 -1.239 1.00 0.00 N ATOM 1009 CA GLU B 225 45.302 12.011 -2.595 1.00 0.00 C ATOM 1010 C GLU B 225 44.703 10.655 -2.957 1.00 0.00 C ATOM 1011 O GLU B 225 44.232 10.452 -4.076 1.00 0.00 O ATOM 1012 CB GLU B 225 46.825 11.946 -2.716 1.00 0.00 C ATOM 1013 CG GLU B 225 47.408 13.355 -2.589 1.00 0.00 C ATOM 1014 CD GLU B 225 46.931 14.222 -3.749 1.00 0.00 C ATOM 1015 OE1 GLU B 225 46.541 13.662 -4.761 1.00 0.00 O ATOM 1016 OE2 GLU B 225 46.963 15.434 -3.610 1.00 0.00 O ATOM 0 H GLU B 225 45.708 12.504 -0.595 1.00 0.00 H new ATOM 0 HA GLU B 225 44.915 12.762 -3.283 1.00 0.00 H new ATOM 0 HB2 GLU B 225 47.235 11.300 -1.939 1.00 0.00 H new ATOM 0 HB3 GLU B 225 47.106 11.510 -3.675 1.00 0.00 H new ATOM 0 HG2 GLU B 225 47.103 13.800 -1.642 1.00 0.00 H new ATOM 0 HG3 GLU B 225 48.497 13.308 -2.583 1.00 0.00 H new ATOM 1023 N ARG B 226 44.725 9.731 -2.002 1.00 0.00 N ATOM 1024 CA ARG B 226 44.183 8.396 -2.232 1.00 0.00 C ATOM 1025 C ARG B 226 42.691 8.469 -2.538 1.00 0.00 C ATOM 1026 O ARG B 226 42.202 7.806 -3.453 1.00 0.00 O ATOM 1027 CB ARG B 226 44.411 7.521 -0.999 1.00 0.00 C ATOM 1028 CG ARG B 226 43.924 6.099 -1.284 1.00 0.00 C ATOM 1029 CD ARG B 226 44.187 5.214 -0.065 1.00 0.00 C ATOM 1030 NE ARG B 226 43.871 3.824 -0.372 1.00 0.00 N ATOM 1031 CZ ARG B 226 43.989 2.872 0.548 1.00 0.00 C ATOM 1032 NH1 ARG B 226 44.393 3.175 1.752 1.00 0.00 N ATOM 1033 NH2 ARG B 226 43.700 1.635 0.249 1.00 0.00 N ATOM 0 H ARG B 226 45.109 9.880 -1.069 1.00 0.00 H new ATOM 0 HA ARG B 226 44.696 7.958 -3.088 1.00 0.00 H new ATOM 0 HB2 ARG B 226 45.470 7.509 -0.740 1.00 0.00 H new ATOM 0 HB3 ARG B 226 43.878 7.935 -0.143 1.00 0.00 H new ATOM 0 HG2 ARG B 226 42.859 6.108 -1.517 1.00 0.00 H new ATOM 0 HG3 ARG B 226 44.438 5.696 -2.157 1.00 0.00 H new ATOM 0 HD2 ARG B 226 45.231 5.299 0.236 1.00 0.00 H new ATOM 0 HD3 ARG B 226 43.584 5.554 0.777 1.00 0.00 H new ATOM 0 HE ARG B 226 43.554 3.578 -1.310 1.00 0.00 H new ATOM 0 HH11 ARG B 226 44.618 4.142 1.986 1.00 0.00 H new ATOM 0 HH12 ARG B 226 44.484 2.445 2.458 1.00 0.00 H new ATOM 0 HH21 ARG B 226 43.383 1.398 -0.691 1.00 0.00 H new ATOM 0 HH22 ARG B 226 43.791 0.905 0.956 1.00 0.00 H new ATOM 1047 N VAL B 227 41.973 9.279 -1.767 1.00 0.00 N ATOM 1048 CA VAL B 227 40.537 9.433 -1.967 1.00 0.00 C ATOM 1049 C VAL B 227 40.250 10.088 -3.315 1.00 0.00 C ATOM 1050 O VAL B 227 39.341 9.675 -4.035 1.00 0.00 O ATOM 1051 CB VAL B 227 39.942 10.287 -0.846 1.00 0.00 C ATOM 1052 CG1 VAL B 227 38.472 10.580 -1.151 1.00 0.00 C ATOM 1053 CG2 VAL B 227 40.046 9.530 0.480 1.00 0.00 C ATOM 0 H VAL B 227 42.358 9.835 -1.004 1.00 0.00 H new ATOM 0 HA VAL B 227 40.080 8.444 -1.952 1.00 0.00 H new ATOM 0 HB VAL B 227 40.491 11.226 -0.774 1.00 0.00 H new ATOM 0 HG11 VAL B 227 38.049 11.188 -0.352 1.00 0.00 H new ATOM 0 HG12 VAL B 227 38.397 11.118 -2.096 1.00 0.00 H new ATOM 0 HG13 VAL B 227 37.921 9.642 -1.223 1.00 0.00 H new ATOM 0 HG21 VAL B 227 39.622 10.137 1.280 1.00 0.00 H new ATOM 0 HG22 VAL B 227 39.497 8.591 0.407 1.00 0.00 H new ATOM 0 HG23 VAL B 227 41.093 9.321 0.699 1.00 0.00 H new ATOM 1063 N GLN B 228 41.030 11.110 -3.649 1.00 0.00 N ATOM 1064 CA GLN B 228 40.847 11.817 -4.911 1.00 0.00 C ATOM 1065 C GLN B 228 40.911 10.845 -6.085 1.00 0.00 C ATOM 1066 O GLN B 228 40.173 10.985 -7.060 1.00 0.00 O ATOM 1067 CB GLN B 228 41.929 12.887 -5.072 1.00 0.00 C ATOM 1068 CG GLN B 228 41.749 13.598 -6.414 1.00 0.00 C ATOM 1069 CD GLN B 228 42.738 14.753 -6.529 1.00 0.00 C ATOM 1070 OE1 GLN B 228 43.285 15.206 -5.523 1.00 0.00 O ATOM 1071 NE2 GLN B 228 43.003 15.260 -7.702 1.00 0.00 N ATOM 0 H GLN B 228 41.790 11.465 -3.068 1.00 0.00 H new ATOM 0 HA GLN B 228 39.866 12.291 -4.901 1.00 0.00 H new ATOM 0 HB2 GLN B 228 41.867 13.607 -4.256 1.00 0.00 H new ATOM 0 HB3 GLN B 228 42.917 12.430 -5.020 1.00 0.00 H new ATOM 0 HG2 GLN B 228 41.903 12.894 -7.232 1.00 0.00 H new ATOM 0 HG3 GLN B 228 40.729 13.972 -6.503 1.00 0.00 H new ATOM 0 HE21 GLN B 228 42.549 14.884 -8.534 1.00 0.00 H new ATOM 0 HE22 GLN B 228 43.664 16.032 -7.786 1.00 0.00 H new ATOM 1080 N GLN B 229 41.798 9.861 -5.984 1.00 0.00 N ATOM 1081 CA GLN B 229 41.956 8.876 -7.048 1.00 0.00 C ATOM 1082 C GLN B 229 40.671 8.075 -7.231 1.00 0.00 C ATOM 1083 O GLN B 229 40.250 7.806 -8.357 1.00 0.00 O ATOM 1084 CB GLN B 229 43.108 7.927 -6.714 1.00 0.00 C ATOM 1085 CG GLN B 229 44.436 8.681 -6.813 1.00 0.00 C ATOM 1086 CD GLN B 229 45.588 7.762 -6.422 1.00 0.00 C ATOM 1087 OE1 GLN B 229 45.519 7.078 -5.401 1.00 0.00 O ATOM 1088 NE2 GLN B 229 46.650 7.705 -7.178 1.00 0.00 N ATOM 0 H GLN B 229 42.414 9.724 -5.183 1.00 0.00 H new ATOM 0 HA GLN B 229 42.178 9.403 -7.976 1.00 0.00 H new ATOM 0 HB2 GLN B 229 42.981 7.523 -5.710 1.00 0.00 H new ATOM 0 HB3 GLN B 229 43.106 7.080 -7.400 1.00 0.00 H new ATOM 0 HG2 GLN B 229 44.581 9.047 -7.829 1.00 0.00 H new ATOM 0 HG3 GLN B 229 44.418 9.553 -6.160 1.00 0.00 H new ATOM 0 HE21 GLN B 229 46.705 8.273 -8.024 1.00 0.00 H new ATOM 0 HE22 GLN B 229 47.425 7.093 -6.923 1.00 0.00 H new ATOM 1097 N VAL B 230 40.051 7.695 -6.118 1.00 0.00 N ATOM 1098 CA VAL B 230 38.815 6.922 -6.169 1.00 0.00 C ATOM 1099 C VAL B 230 37.721 7.709 -6.882 1.00 0.00 C ATOM 1100 O VAL B 230 37.016 7.173 -7.738 1.00 0.00 O ATOM 1101 CB VAL B 230 38.357 6.577 -4.751 1.00 0.00 C ATOM 1102 CG1 VAL B 230 36.962 5.952 -4.803 1.00 0.00 C ATOM 1103 CG2 VAL B 230 39.338 5.582 -4.128 1.00 0.00 C ATOM 0 H VAL B 230 40.381 7.908 -5.177 1.00 0.00 H new ATOM 0 HA VAL B 230 39.005 6.003 -6.723 1.00 0.00 H new ATOM 0 HB VAL B 230 38.326 7.484 -4.148 1.00 0.00 H new ATOM 0 HG11 VAL B 230 36.636 5.706 -3.793 1.00 0.00 H new ATOM 0 HG12 VAL B 230 36.263 6.660 -5.248 1.00 0.00 H new ATOM 0 HG13 VAL B 230 36.992 5.044 -5.405 1.00 0.00 H new ATOM 0 HG21 VAL B 230 39.013 5.335 -3.117 1.00 0.00 H new ATOM 0 HG22 VAL B 230 39.368 4.675 -4.731 1.00 0.00 H new ATOM 0 HG23 VAL B 230 40.333 6.026 -4.091 1.00 0.00 H new ATOM 1113 N ARG B 231 37.584 8.982 -6.526 1.00 0.00 N ATOM 1114 CA ARG B 231 36.572 9.833 -7.141 1.00 0.00 C ATOM 1115 C ARG B 231 36.752 9.868 -8.655 1.00 0.00 C ATOM 1116 O ARG B 231 35.781 9.786 -9.407 1.00 0.00 O ATOM 1117 CB ARG B 231 36.671 11.252 -6.579 1.00 0.00 C ATOM 1118 CG ARG B 231 35.548 12.112 -7.164 1.00 0.00 C ATOM 1119 CD ARG B 231 35.669 13.541 -6.631 1.00 0.00 C ATOM 1120 NE ARG B 231 35.423 13.566 -5.194 1.00 0.00 N ATOM 1121 CZ ARG B 231 35.468 14.705 -4.509 1.00 0.00 C ATOM 1122 NH1 ARG B 231 35.733 15.825 -5.123 1.00 0.00 N ATOM 1123 NH2 ARG B 231 35.247 14.702 -3.223 1.00 0.00 N ATOM 0 H ARG B 231 38.157 9.445 -5.820 1.00 0.00 H new ATOM 0 HA ARG B 231 35.589 9.421 -6.913 1.00 0.00 H new ATOM 0 HB2 ARG B 231 36.598 11.230 -5.492 1.00 0.00 H new ATOM 0 HB3 ARG B 231 37.641 11.685 -6.824 1.00 0.00 H new ATOM 0 HG2 ARG B 231 35.605 12.112 -8.252 1.00 0.00 H new ATOM 0 HG3 ARG B 231 34.578 11.694 -6.896 1.00 0.00 H new ATOM 0 HD2 ARG B 231 36.664 13.933 -6.844 1.00 0.00 H new ATOM 0 HD3 ARG B 231 34.955 14.188 -7.141 1.00 0.00 H new ATOM 0 HE ARG B 231 35.213 12.695 -4.706 1.00 0.00 H new ATOM 0 HH11 ARG B 231 35.906 15.827 -6.128 1.00 0.00 H new ATOM 0 HH12 ARG B 231 35.768 16.699 -4.598 1.00 0.00 H new ATOM 0 HH21 ARG B 231 35.040 13.826 -2.743 1.00 0.00 H new ATOM 0 HH22 ARG B 231 35.282 15.576 -2.698 1.00 0.00 H new ATOM 1137 N LYS B 232 38.000 9.992 -9.095 1.00 0.00 N ATOM 1138 CA LYS B 232 38.295 10.034 -10.523 1.00 0.00 C ATOM 1139 C LYS B 232 37.627 8.866 -11.242 1.00 0.00 C ATOM 1140 O LYS B 232 36.959 9.051 -12.259 1.00 0.00 O ATOM 1141 CB LYS B 232 39.807 9.975 -10.746 1.00 0.00 C ATOM 1142 CG LYS B 232 40.111 10.135 -12.237 1.00 0.00 C ATOM 1143 CD LYS B 232 41.625 10.143 -12.452 1.00 0.00 C ATOM 1144 CE LYS B 232 41.928 10.293 -13.944 1.00 0.00 C ATOM 1145 NZ LYS B 232 41.425 11.611 -14.423 1.00 0.00 N ATOM 0 H LYS B 232 38.817 10.065 -8.489 1.00 0.00 H new ATOM 0 HA LYS B 232 37.905 10.967 -10.928 1.00 0.00 H new ATOM 0 HB2 LYS B 232 40.300 10.763 -10.177 1.00 0.00 H new ATOM 0 HB3 LYS B 232 40.202 9.026 -10.384 1.00 0.00 H new ATOM 0 HG2 LYS B 232 39.657 9.320 -12.801 1.00 0.00 H new ATOM 0 HG3 LYS B 232 39.675 11.062 -12.610 1.00 0.00 H new ATOM 0 HD2 LYS B 232 42.078 10.963 -11.894 1.00 0.00 H new ATOM 0 HD3 LYS B 232 42.062 9.219 -12.072 1.00 0.00 H new ATOM 0 HE2 LYS B 232 43.001 10.217 -14.117 1.00 0.00 H new ATOM 0 HE3 LYS B 232 41.456 9.486 -14.505 1.00 0.00 H new ATOM 0 HZ1 LYS B 232 41.907 11.865 -15.309 1.00 0.00 H new ATOM 0 HZ2 LYS B 232 40.400 11.551 -14.591 1.00 0.00 H new ATOM 0 HZ3 LYS B 232 41.616 12.338 -13.704 1.00 0.00 H new ATOM 1159 N LYS B 233 37.811 7.664 -10.705 1.00 0.00 N ATOM 1160 CA LYS B 233 37.211 6.474 -11.298 1.00 0.00 C ATOM 1161 C LYS B 233 35.689 6.549 -11.225 1.00 0.00 C ATOM 1162 O LYS B 233 34.989 5.890 -11.993 1.00 0.00 O ATOM 1163 CB LYS B 233 37.698 5.223 -10.563 1.00 0.00 C ATOM 1164 CG LYS B 233 39.192 5.025 -10.827 1.00 0.00 C ATOM 1165 CD LYS B 233 39.680 3.778 -10.087 1.00 0.00 C ATOM 1166 CE LYS B 233 41.171 3.573 -10.362 1.00 0.00 C ATOM 1167 NZ LYS B 233 41.650 2.370 -9.624 1.00 0.00 N ATOM 0 H LYS B 233 38.366 7.489 -9.867 1.00 0.00 H new ATOM 0 HA LYS B 233 37.511 6.421 -12.344 1.00 0.00 H new ATOM 0 HB2 LYS B 233 37.517 5.324 -9.493 1.00 0.00 H new ATOM 0 HB3 LYS B 233 37.139 4.350 -10.900 1.00 0.00 H new ATOM 0 HG2 LYS B 233 39.372 4.920 -11.897 1.00 0.00 H new ATOM 0 HG3 LYS B 233 39.750 5.900 -10.494 1.00 0.00 H new ATOM 0 HD2 LYS B 233 39.508 3.887 -9.016 1.00 0.00 H new ATOM 0 HD3 LYS B 233 39.116 2.904 -10.413 1.00 0.00 H new ATOM 0 HE2 LYS B 233 41.341 3.449 -11.431 1.00 0.00 H new ATOM 0 HE3 LYS B 233 41.734 4.453 -10.050 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 42.664 2.229 -9.810 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 41.501 2.506 -8.604 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 41.120 1.534 -9.943 1.00 0.00 H new ATOM 1181 N LEU B 234 35.186 7.358 -10.298 1.00 0.00 N ATOM 1182 CA LEU B 234 33.745 7.501 -10.126 1.00 0.00 C ATOM 1183 C LEU B 234 33.159 8.380 -11.225 1.00 0.00 C ATOM 1184 O LEU B 234 32.259 7.962 -11.954 1.00 0.00 O ATOM 1185 CB LEU B 234 33.441 8.118 -8.759 1.00 0.00 C ATOM 1186 CG LEU B 234 32.027 7.727 -8.326 1.00 0.00 C ATOM 1187 CD1 LEU B 234 31.744 8.296 -6.934 1.00 0.00 C ATOM 1188 CD2 LEU B 234 31.015 8.294 -9.323 1.00 0.00 C ATOM 0 H LEU B 234 35.749 7.920 -9.660 1.00 0.00 H new ATOM 0 HA LEU B 234 33.291 6.512 -10.187 1.00 0.00 H new ATOM 0 HB2 LEU B 234 34.167 7.773 -8.023 1.00 0.00 H new ATOM 0 HB3 LEU B 234 33.530 9.203 -8.810 1.00 0.00 H new ATOM 0 HG LEU B 234 31.942 6.641 -8.299 1.00 0.00 H new ATOM 0 HD11 LEU B 234 30.736 8.018 -6.625 1.00 0.00 H new ATOM 0 HD12 LEU B 234 32.466 7.894 -6.223 1.00 0.00 H new ATOM 0 HD13 LEU B 234 31.828 9.382 -6.961 1.00 0.00 H new ATOM 0 HD21 LEU B 234 30.007 8.016 -9.016 1.00 0.00 H new ATOM 0 HD22 LEU B 234 31.100 9.380 -9.350 1.00 0.00 H new ATOM 0 HD23 LEU B 234 31.216 7.890 -10.315 1.00 0.00 H new ATOM 1200 N GLU B 235 33.676 9.599 -11.340 1.00 0.00 N ATOM 1201 CA GLU B 235 33.189 10.532 -12.350 1.00 0.00 C ATOM 1202 C GLU B 235 33.533 10.033 -13.749 1.00 0.00 C ATOM 1203 O GLU B 235 32.738 10.165 -14.679 1.00 0.00 O ATOM 1204 CB GLU B 235 33.814 11.912 -12.130 1.00 0.00 C ATOM 1205 CG GLU B 235 33.271 12.518 -10.835 1.00 0.00 C ATOM 1206 CD GLU B 235 33.972 13.841 -10.545 1.00 0.00 C ATOM 1207 OE1 GLU B 235 34.809 14.233 -11.343 1.00 0.00 O ATOM 1208 OE2 GLU B 235 33.663 14.443 -9.531 1.00 0.00 O ATOM 0 H GLU B 235 34.426 9.962 -10.752 1.00 0.00 H new ATOM 0 HA GLU B 235 32.105 10.605 -12.259 1.00 0.00 H new ATOM 0 HB2 GLU B 235 34.899 11.827 -12.077 1.00 0.00 H new ATOM 0 HB3 GLU B 235 33.586 12.565 -12.973 1.00 0.00 H new ATOM 0 HG2 GLU B 235 32.196 12.678 -10.921 1.00 0.00 H new ATOM 0 HG3 GLU B 235 33.425 11.826 -10.007 1.00 0.00 H new ATOM 1215 N GLU B 236 34.723 9.457 -13.890 1.00 0.00 N ATOM 1216 CA GLU B 236 35.165 8.945 -15.181 1.00 0.00 C ATOM 1217 C GLU B 236 34.297 7.769 -15.616 1.00 0.00 C ATOM 1218 O GLU B 236 33.736 7.771 -16.712 1.00 0.00 O ATOM 1219 CB GLU B 236 36.626 8.500 -15.094 1.00 0.00 C ATOM 1220 CG GLU B 236 37.526 9.728 -14.948 1.00 0.00 C ATOM 1221 CD GLU B 236 37.474 10.567 -16.220 1.00 0.00 C ATOM 1222 OE1 GLU B 236 37.690 10.009 -17.284 1.00 0.00 O ATOM 1223 OE2 GLU B 236 37.220 11.755 -16.113 1.00 0.00 O ATOM 0 H GLU B 236 35.394 9.334 -13.132 1.00 0.00 H new ATOM 0 HA GLU B 236 35.072 9.742 -15.918 1.00 0.00 H new ATOM 0 HB2 GLU B 236 36.764 7.832 -14.244 1.00 0.00 H new ATOM 0 HB3 GLU B 236 36.900 7.939 -15.988 1.00 0.00 H new ATOM 0 HG2 GLU B 236 37.204 10.326 -14.095 1.00 0.00 H new ATOM 0 HG3 GLU B 236 38.551 9.416 -14.750 1.00 0.00 H new ATOM 1230 N ALA B 237 34.192 6.766 -14.751 1.00 0.00 N ATOM 1231 CA ALA B 237 33.391 5.586 -15.059 1.00 0.00 C ATOM 1232 C ALA B 237 31.924 5.967 -15.229 1.00 0.00 C ATOM 1233 O ALA B 237 31.178 5.300 -15.947 1.00 0.00 O ATOM 1234 CB ALA B 237 33.526 4.555 -13.938 1.00 0.00 C ATOM 0 H ALA B 237 34.647 6.745 -13.838 1.00 0.00 H new ATOM 0 HA ALA B 237 33.755 5.156 -15.992 1.00 0.00 H new ATOM 0 HB1 ALA B 237 32.925 3.678 -14.176 1.00 0.00 H new ATOM 0 HB2 ALA B 237 34.571 4.262 -13.837 1.00 0.00 H new ATOM 0 HB3 ALA B 237 33.178 4.989 -13.001 1.00 0.00 H new ATOM 1240 N LEU B 238 31.517 7.043 -14.565 1.00 0.00 N ATOM 1241 CA LEU B 238 30.134 7.501 -14.644 1.00 0.00 C ATOM 1242 C LEU B 238 29.904 8.288 -15.930 1.00 0.00 C ATOM 1243 O LEU B 238 28.822 8.238 -16.514 1.00 0.00 O ATOM 1244 CB LEU B 238 29.806 8.383 -13.437 1.00 0.00 C ATOM 1245 CG LEU B 238 28.351 8.845 -13.523 1.00 0.00 C ATOM 1246 CD1 LEU B 238 27.427 7.626 -13.524 1.00 0.00 C ATOM 1247 CD2 LEU B 238 28.026 9.729 -12.317 1.00 0.00 C ATOM 0 H LEU B 238 32.120 7.611 -13.970 1.00 0.00 H new ATOM 0 HA LEU B 238 29.481 6.628 -14.644 1.00 0.00 H new ATOM 0 HB2 LEU B 238 29.968 7.828 -12.513 1.00 0.00 H new ATOM 0 HB3 LEU B 238 30.472 9.246 -13.412 1.00 0.00 H new ATOM 0 HG LEU B 238 28.204 9.413 -14.442 1.00 0.00 H new ATOM 0 HD11 LEU B 238 26.390 7.956 -13.585 1.00 0.00 H new ATOM 0 HD12 LEU B 238 27.658 6.995 -14.382 1.00 0.00 H new ATOM 0 HD13 LEU B 238 27.573 7.058 -12.605 1.00 0.00 H new ATOM 0 HD21 LEU B 238 26.989 10.059 -12.377 1.00 0.00 H new ATOM 0 HD22 LEU B 238 28.173 9.160 -11.399 1.00 0.00 H new ATOM 0 HD23 LEU B 238 28.684 10.598 -12.315 1.00 0.00 H new ATOM 1259 N MET B 239 30.930 9.013 -16.364 1.00 0.00 N ATOM 1260 CA MET B 239 30.824 9.820 -17.574 1.00 0.00 C ATOM 1261 C MET B 239 30.725 8.928 -18.806 1.00 0.00 C ATOM 1262 O MET B 239 30.466 9.405 -19.911 1.00 0.00 O ATOM 1263 CB MET B 239 32.044 10.735 -17.700 1.00 0.00 C ATOM 1264 CG MET B 239 31.856 11.677 -18.890 1.00 0.00 C ATOM 1265 SD MET B 239 33.169 12.922 -18.888 1.00 0.00 S ATOM 1266 CE MET B 239 34.407 11.949 -19.780 1.00 0.00 C ATOM 0 H MET B 239 31.837 9.058 -15.900 1.00 0.00 H new ATOM 0 HA MET B 239 29.921 10.427 -17.506 1.00 0.00 H new ATOM 0 HB2 MET B 239 32.176 11.311 -16.784 1.00 0.00 H new ATOM 0 HB3 MET B 239 32.947 10.139 -17.834 1.00 0.00 H new ATOM 0 HG2 MET B 239 31.878 11.112 -19.822 1.00 0.00 H new ATOM 0 HG3 MET B 239 30.881 12.161 -18.834 1.00 0.00 H new ATOM 0 HE1 MET B 239 35.318 12.536 -19.894 1.00 0.00 H new ATOM 0 HE2 MET B 239 34.628 11.040 -19.220 1.00 0.00 H new ATOM 0 HE3 MET B 239 34.021 11.684 -20.764 1.00 0.00 H new