USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=5 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 -163:sc= -0.392 (180deg=-1.32) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 GLN : amide:sc= 0 X(o=0,f=-0.19) 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+ 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=-0.00772 K(o=-0.0077,f=-1.6!) USER MOD Single : A 168 SER OG : rot 73:sc= 1.23 USER MOD Single : A 169 GLN : amide:sc= -0.229 K(o=-0.23,f=-0.77) USER MOD Single : B 216 THR OG1 : rot 180:sc= 0.347 USER MOD Single : B 222 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 223 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.83) USER MOD Single : B 228 GLN : amide:sc= -0.313 K(o=-0.31,f=-4!) USER MOD Single : B 229 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.28) USER MOD Single : B 232 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.133) USER MOD Single : B 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 239 MET CE :methyl -149:sc= 0 (180deg=-0.0895) USER MOD ----------------------------------------------------------------- ATOM 35 N GLU A 139 25.035 -4.261 -15.450 1.00 0.00 N ATOM 36 CA GLU A 139 24.450 -4.250 -14.113 1.00 0.00 C ATOM 37 C GLU A 139 25.545 -4.268 -13.051 1.00 0.00 C ATOM 38 O GLU A 139 25.460 -3.561 -12.046 1.00 0.00 O ATOM 39 CB GLU A 139 23.540 -5.465 -13.931 1.00 0.00 C ATOM 40 CG GLU A 139 22.291 -5.304 -14.800 1.00 0.00 C ATOM 41 CD GLU A 139 21.414 -6.546 -14.689 1.00 0.00 C ATOM 42 OE1 GLU A 139 21.961 -7.635 -14.699 1.00 0.00 O ATOM 43 OE2 GLU A 139 20.208 -6.388 -14.597 1.00 0.00 O ATOM 0 HA GLU A 139 23.864 -3.338 -14.000 1.00 0.00 H new ATOM 0 HB2 GLU A 139 24.072 -6.375 -14.206 1.00 0.00 H new ATOM 0 HB3 GLU A 139 23.256 -5.566 -12.883 1.00 0.00 H new ATOM 0 HG2 GLU A 139 21.730 -4.424 -14.486 1.00 0.00 H new ATOM 0 HG3 GLU A 139 22.579 -5.144 -15.839 1.00 0.00 H new ATOM 50 N GLU A 140 26.573 -5.078 -13.280 1.00 0.00 N ATOM 51 CA GLU A 140 27.679 -5.180 -12.335 1.00 0.00 C ATOM 52 C GLU A 140 28.476 -3.880 -12.303 1.00 0.00 C ATOM 53 O GLU A 140 28.907 -3.431 -11.241 1.00 0.00 O ATOM 54 CB GLU A 140 28.600 -6.335 -12.731 1.00 0.00 C ATOM 55 CG GLU A 140 27.877 -7.665 -12.507 1.00 0.00 C ATOM 56 CD GLU A 140 28.755 -8.821 -12.973 1.00 0.00 C ATOM 57 OE1 GLU A 140 29.866 -8.558 -13.404 1.00 0.00 O ATOM 58 OE2 GLU A 140 28.304 -9.951 -12.892 1.00 0.00 O ATOM 0 H GLU A 140 26.664 -5.670 -14.106 1.00 0.00 H new ATOM 0 HA GLU A 140 27.269 -5.367 -11.343 1.00 0.00 H new ATOM 0 HB2 GLU A 140 28.892 -6.239 -13.777 1.00 0.00 H new ATOM 0 HB3 GLU A 140 29.516 -6.303 -12.140 1.00 0.00 H new ATOM 0 HG2 GLU A 140 27.636 -7.784 -11.451 1.00 0.00 H new ATOM 0 HG3 GLU A 140 26.933 -7.672 -13.052 1.00 0.00 H new ATOM 65 N ARG A 141 28.669 -3.281 -13.473 1.00 0.00 N ATOM 66 CA ARG A 141 29.421 -2.035 -13.569 1.00 0.00 C ATOM 67 C ARG A 141 28.723 -0.927 -12.787 1.00 0.00 C ATOM 68 O ARG A 141 29.370 -0.139 -12.096 1.00 0.00 O ATOM 69 CB ARG A 141 29.558 -1.619 -15.034 1.00 0.00 C ATOM 70 CG ARG A 141 30.387 -0.336 -15.126 1.00 0.00 C ATOM 71 CD ARG A 141 30.537 0.072 -16.592 1.00 0.00 C ATOM 72 NE ARG A 141 31.444 1.208 -16.709 1.00 0.00 N ATOM 73 CZ ARG A 141 31.665 1.793 -17.882 1.00 0.00 C ATOM 74 NH1 ARG A 141 31.064 1.353 -18.954 1.00 0.00 N ATOM 75 NH2 ARG A 141 32.482 2.807 -17.962 1.00 0.00 N ATOM 0 H ARG A 141 28.318 -3.635 -14.363 1.00 0.00 H new ATOM 0 HA ARG A 141 30.411 -2.197 -13.144 1.00 0.00 H new ATOM 0 HB2 ARG A 141 30.036 -2.415 -15.606 1.00 0.00 H new ATOM 0 HB3 ARG A 141 28.572 -1.460 -15.471 1.00 0.00 H new ATOM 0 HG2 ARG A 141 29.904 0.463 -14.563 1.00 0.00 H new ATOM 0 HG3 ARG A 141 31.369 -0.492 -14.679 1.00 0.00 H new ATOM 0 HD2 ARG A 141 30.918 -0.768 -17.174 1.00 0.00 H new ATOM 0 HD3 ARG A 141 29.563 0.331 -17.006 1.00 0.00 H new ATOM 0 HE ARG A 141 31.917 1.560 -15.876 1.00 0.00 H new ATOM 0 HH11 ARG A 141 30.425 0.560 -18.891 1.00 0.00 H new ATOM 0 HH12 ARG A 141 31.233 1.802 -19.854 1.00 0.00 H new ATOM 0 HH21 ARG A 141 32.951 3.151 -17.124 1.00 0.00 H new ATOM 0 HH22 ARG A 141 32.651 3.256 -18.862 1.00 0.00 H new ATOM 89 N GLU A 142 27.400 -0.871 -12.902 1.00 0.00 N ATOM 90 CA GLU A 142 26.625 0.149 -12.205 1.00 0.00 C ATOM 91 C GLU A 142 26.708 -0.050 -10.696 1.00 0.00 C ATOM 92 O GLU A 142 26.844 0.911 -9.940 1.00 0.00 O ATOM 93 CB GLU A 142 25.162 0.087 -12.650 1.00 0.00 C ATOM 94 CG GLU A 142 24.381 1.230 -11.998 1.00 0.00 C ATOM 95 CD GLU A 142 22.936 1.216 -12.483 1.00 0.00 C ATOM 96 OE1 GLU A 142 22.545 0.233 -13.091 1.00 0.00 O ATOM 97 OE2 GLU A 142 22.241 2.188 -12.240 1.00 0.00 O ATOM 0 H GLU A 142 26.846 -1.515 -13.467 1.00 0.00 H new ATOM 0 HA GLU A 142 27.040 1.126 -12.453 1.00 0.00 H new ATOM 0 HB2 GLU A 142 25.098 0.161 -13.736 1.00 0.00 H new ATOM 0 HB3 GLU A 142 24.726 -0.872 -12.370 1.00 0.00 H new ATOM 0 HG2 GLU A 142 24.410 1.129 -10.913 1.00 0.00 H new ATOM 0 HG3 GLU A 142 24.846 2.185 -12.242 1.00 0.00 H new ATOM 104 N ARG A 143 26.625 -1.304 -10.264 1.00 0.00 N ATOM 105 CA ARG A 143 26.697 -1.619 -8.842 1.00 0.00 C ATOM 106 C ARG A 143 28.028 -1.157 -8.257 1.00 0.00 C ATOM 107 O ARG A 143 28.080 -0.637 -7.142 1.00 0.00 O ATOM 108 CB ARG A 143 26.539 -3.126 -8.631 1.00 0.00 C ATOM 109 CG ARG A 143 25.077 -3.520 -8.846 1.00 0.00 C ATOM 110 CD ARG A 143 24.919 -5.028 -8.649 1.00 0.00 C ATOM 111 NE ARG A 143 23.531 -5.423 -8.863 1.00 0.00 N ATOM 112 CZ ARG A 143 22.662 -5.446 -7.858 1.00 0.00 C ATOM 113 NH1 ARG A 143 23.044 -5.111 -6.656 1.00 0.00 N ATOM 114 NH2 ARG A 143 21.425 -5.803 -8.073 1.00 0.00 N ATOM 0 H ARG A 143 26.509 -2.114 -10.873 1.00 0.00 H new ATOM 0 HA ARG A 143 25.888 -1.095 -8.332 1.00 0.00 H new ATOM 0 HB2 ARG A 143 27.179 -3.670 -9.325 1.00 0.00 H new ATOM 0 HB3 ARG A 143 26.856 -3.398 -7.624 1.00 0.00 H new ATOM 0 HG2 ARG A 143 24.438 -2.982 -8.145 1.00 0.00 H new ATOM 0 HG3 ARG A 143 24.758 -3.238 -9.849 1.00 0.00 H new ATOM 0 HD2 ARG A 143 25.568 -5.562 -9.343 1.00 0.00 H new ATOM 0 HD3 ARG A 143 25.232 -5.305 -7.642 1.00 0.00 H new ATOM 0 HE ARG A 143 23.223 -5.686 -9.799 1.00 0.00 H new ATOM 0 HH11 ARG A 143 24.010 -4.831 -6.487 1.00 0.00 H new ATOM 0 HH12 ARG A 143 22.376 -5.129 -5.885 1.00 0.00 H new ATOM 0 HH21 ARG A 143 21.126 -6.064 -9.012 1.00 0.00 H new ATOM 0 HH22 ARG A 143 20.758 -5.821 -7.302 1.00 0.00 H new ATOM 128 N MET A 144 29.102 -1.350 -9.016 1.00 0.00 N ATOM 129 CA MET A 144 30.426 -0.936 -8.566 1.00 0.00 C ATOM 130 C MET A 144 30.429 0.547 -8.208 1.00 0.00 C ATOM 131 O MET A 144 30.978 0.945 -7.181 1.00 0.00 O ATOM 132 CB MET A 144 31.458 -1.199 -9.665 1.00 0.00 C ATOM 133 CG MET A 144 31.775 -2.695 -9.720 1.00 0.00 C ATOM 134 SD MET A 144 32.585 -3.197 -8.181 1.00 0.00 S ATOM 135 CE MET A 144 34.140 -2.307 -8.441 1.00 0.00 C ATOM 0 H MET A 144 29.083 -1.787 -9.938 1.00 0.00 H new ATOM 0 HA MET A 144 30.685 -1.514 -7.679 1.00 0.00 H new ATOM 0 HB2 MET A 144 31.074 -0.862 -10.628 1.00 0.00 H new ATOM 0 HB3 MET A 144 32.367 -0.631 -9.468 1.00 0.00 H new ATOM 0 HG2 MET A 144 30.858 -3.267 -9.864 1.00 0.00 H new ATOM 0 HG3 MET A 144 32.422 -2.910 -10.571 1.00 0.00 H new ATOM 0 HE1 MET A 144 34.903 -2.705 -7.772 1.00 0.00 H new ATOM 0 HE2 MET A 144 34.462 -2.432 -9.475 1.00 0.00 H new ATOM 0 HE3 MET A 144 33.992 -1.247 -8.233 1.00 0.00 H new ATOM 145 N ILE A 145 29.812 1.358 -9.061 1.00 0.00 N ATOM 146 CA ILE A 145 29.726 2.792 -8.810 1.00 0.00 C ATOM 147 C ILE A 145 28.928 3.065 -7.538 1.00 0.00 C ATOM 148 O ILE A 145 29.294 3.927 -6.738 1.00 0.00 O ATOM 149 CB ILE A 145 29.057 3.491 -9.994 1.00 0.00 C ATOM 150 CG1 ILE A 145 29.978 3.414 -11.215 1.00 0.00 C ATOM 151 CG2 ILE A 145 28.800 4.958 -9.642 1.00 0.00 C ATOM 152 CD1 ILE A 145 29.215 3.877 -12.458 1.00 0.00 C ATOM 0 H ILE A 145 29.367 1.050 -9.926 1.00 0.00 H new ATOM 0 HA ILE A 145 30.736 3.181 -8.683 1.00 0.00 H new ATOM 0 HB ILE A 145 28.110 3.000 -10.219 1.00 0.00 H new ATOM 0 HG12 ILE A 145 30.857 4.039 -11.061 1.00 0.00 H new ATOM 0 HG13 ILE A 145 30.333 2.393 -11.352 1.00 0.00 H new ATOM 0 HG21 ILE A 145 28.323 5.457 -10.486 1.00 0.00 H new ATOM 0 HG22 ILE A 145 28.147 5.014 -8.771 1.00 0.00 H new ATOM 0 HG23 ILE A 145 29.747 5.450 -9.418 1.00 0.00 H new ATOM 0 HD11 ILE A 145 29.870 3.823 -13.328 1.00 0.00 H new ATOM 0 HD12 ILE A 145 28.349 3.233 -12.614 1.00 0.00 H new ATOM 0 HD13 ILE A 145 28.882 4.905 -12.318 1.00 0.00 H new ATOM 164 N LYS A 146 27.840 2.325 -7.358 1.00 0.00 N ATOM 165 CA LYS A 146 27.000 2.495 -6.177 1.00 0.00 C ATOM 166 C LYS A 146 27.764 2.101 -4.918 1.00 0.00 C ATOM 167 O LYS A 146 27.731 2.811 -3.913 1.00 0.00 O ATOM 168 CB LYS A 146 25.741 1.634 -6.303 1.00 0.00 C ATOM 169 CG LYS A 146 24.868 1.823 -5.061 1.00 0.00 C ATOM 170 CD LYS A 146 23.588 0.999 -5.206 1.00 0.00 C ATOM 171 CE LYS A 146 22.706 1.202 -3.972 1.00 0.00 C ATOM 172 NZ LYS A 146 21.427 0.457 -4.146 1.00 0.00 N ATOM 0 H LYS A 146 27.520 1.607 -8.008 1.00 0.00 H new ATOM 0 HA LYS A 146 26.715 3.545 -6.103 1.00 0.00 H new ATOM 0 HB2 LYS A 146 25.185 1.913 -7.198 1.00 0.00 H new ATOM 0 HB3 LYS A 146 26.015 0.585 -6.412 1.00 0.00 H new ATOM 0 HG2 LYS A 146 25.413 1.513 -4.170 1.00 0.00 H new ATOM 0 HG3 LYS A 146 24.622 2.877 -4.934 1.00 0.00 H new ATOM 0 HD2 LYS A 146 23.049 1.300 -6.104 1.00 0.00 H new ATOM 0 HD3 LYS A 146 23.834 -0.057 -5.320 1.00 0.00 H new ATOM 0 HE2 LYS A 146 23.225 0.851 -3.080 1.00 0.00 H new ATOM 0 HE3 LYS A 146 22.504 2.263 -3.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 20.828 0.595 -3.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 20.931 0.812 -4.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 21.629 -0.556 -4.264 1.00 0.00 H new ATOM 186 N GLN A 147 28.454 0.967 -4.981 1.00 0.00 N ATOM 187 CA GLN A 147 29.228 0.492 -3.839 1.00 0.00 C ATOM 188 C GLN A 147 30.374 1.452 -3.535 1.00 0.00 C ATOM 189 O GLN A 147 30.640 1.767 -2.375 1.00 0.00 O ATOM 190 CB GLN A 147 29.789 -0.901 -4.132 1.00 0.00 C ATOM 191 CG GLN A 147 30.616 -1.380 -2.938 1.00 0.00 C ATOM 192 CD GLN A 147 31.110 -2.803 -3.181 1.00 0.00 C ATOM 193 OE1 GLN A 147 31.628 -3.105 -4.256 1.00 0.00 O ATOM 194 NE2 GLN A 147 30.978 -3.698 -2.241 1.00 0.00 N ATOM 0 H GLN A 147 28.494 0.364 -5.803 1.00 0.00 H new ATOM 0 HA GLN A 147 28.570 0.442 -2.971 1.00 0.00 H new ATOM 0 HB2 GLN A 147 28.975 -1.599 -4.327 1.00 0.00 H new ATOM 0 HB3 GLN A 147 30.408 -0.874 -5.029 1.00 0.00 H new ATOM 0 HG2 GLN A 147 31.464 -0.714 -2.782 1.00 0.00 H new ATOM 0 HG3 GLN A 147 30.013 -1.346 -2.031 1.00 0.00 H new ATOM 0 HE21 GLN A 147 30.548 -3.444 -1.352 1.00 0.00 H new ATOM 0 HE22 GLN A 147 31.305 -4.652 -2.396 1.00 0.00 H new ATOM 203 N LEU A 148 31.046 1.912 -4.584 1.00 0.00 N ATOM 204 CA LEU A 148 32.166 2.832 -4.418 1.00 0.00 C ATOM 205 C LEU A 148 31.694 4.137 -3.784 1.00 0.00 C ATOM 206 O LEU A 148 32.429 4.773 -3.028 1.00 0.00 O ATOM 207 CB LEU A 148 32.810 3.124 -5.774 1.00 0.00 C ATOM 208 CG LEU A 148 33.985 2.172 -5.998 1.00 0.00 C ATOM 209 CD1 LEU A 148 33.458 0.753 -6.217 1.00 0.00 C ATOM 210 CD2 LEU A 148 34.774 2.618 -7.231 1.00 0.00 C ATOM 0 H LEU A 148 30.838 1.666 -5.552 1.00 0.00 H new ATOM 0 HA LEU A 148 32.901 2.366 -3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 148 32.075 3.005 -6.570 1.00 0.00 H new ATOM 0 HB3 LEU A 148 33.154 4.158 -5.810 1.00 0.00 H new ATOM 0 HG LEU A 148 34.636 2.187 -5.124 1.00 0.00 H new ATOM 0 HD11 LEU A 148 34.296 0.074 -6.377 1.00 0.00 H new ATOM 0 HD12 LEU A 148 32.895 0.434 -5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 148 32.807 0.738 -7.091 1.00 0.00 H new ATOM 0 HD21 LEU A 148 35.612 1.940 -7.392 1.00 0.00 H new ATOM 0 HD22 LEU A 148 34.123 2.603 -8.105 1.00 0.00 H new ATOM 0 HD23 LEU A 148 35.150 3.629 -7.076 1.00 0.00 H new ATOM 222 N LYS A 149 30.464 4.528 -4.099 1.00 0.00 N ATOM 223 CA LYS A 149 29.906 5.763 -3.562 1.00 0.00 C ATOM 224 C LYS A 149 29.810 5.689 -2.041 1.00 0.00 C ATOM 225 O LYS A 149 30.017 6.685 -1.347 1.00 0.00 O ATOM 226 CB LYS A 149 28.515 6.008 -4.151 1.00 0.00 C ATOM 227 CG LYS A 149 28.653 6.550 -5.575 1.00 0.00 C ATOM 228 CD LYS A 149 28.850 8.066 -5.529 1.00 0.00 C ATOM 229 CE LYS A 149 28.948 8.613 -6.954 1.00 0.00 C ATOM 230 NZ LYS A 149 29.131 10.091 -6.907 1.00 0.00 N ATOM 0 H LYS A 149 29.839 4.012 -4.718 1.00 0.00 H new ATOM 0 HA LYS A 149 30.566 6.587 -3.835 1.00 0.00 H new ATOM 0 HB2 LYS A 149 27.942 5.081 -4.157 1.00 0.00 H new ATOM 0 HB3 LYS A 149 27.966 6.717 -3.532 1.00 0.00 H new ATOM 0 HG2 LYS A 149 29.499 6.078 -6.074 1.00 0.00 H new ATOM 0 HG3 LYS A 149 27.763 6.306 -6.156 1.00 0.00 H new ATOM 0 HD2 LYS A 149 28.018 8.535 -5.005 1.00 0.00 H new ATOM 0 HD3 LYS A 149 29.755 8.309 -4.972 1.00 0.00 H new ATOM 0 HE2 LYS A 149 29.784 8.149 -7.476 1.00 0.00 H new ATOM 0 HE3 LYS A 149 28.046 8.365 -7.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 29.198 10.464 -7.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 28.319 10.526 -6.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 30.004 10.316 -6.389 1.00 0.00 H new ATOM 244 N GLU A 150 29.498 4.503 -1.532 1.00 0.00 N ATOM 245 CA GLU A 150 29.374 4.311 -0.091 1.00 0.00 C ATOM 246 C GLU A 150 30.716 4.540 0.594 1.00 0.00 C ATOM 247 O GLU A 150 30.817 5.326 1.537 1.00 0.00 O ATOM 248 CB GLU A 150 28.881 2.893 0.207 1.00 0.00 C ATOM 249 CG GLU A 150 28.707 2.720 1.716 1.00 0.00 C ATOM 250 CD GLU A 150 28.142 1.336 2.021 1.00 0.00 C ATOM 251 OE1 GLU A 150 27.651 0.703 1.100 1.00 0.00 O ATOM 252 OE2 GLU A 150 28.208 0.931 3.169 1.00 0.00 O ATOM 0 H GLU A 150 29.327 3.666 -2.089 1.00 0.00 H new ATOM 0 HA GLU A 150 28.653 5.033 0.294 1.00 0.00 H new ATOM 0 HB2 GLU A 150 27.935 2.711 -0.302 1.00 0.00 H new ATOM 0 HB3 GLU A 150 29.594 2.161 -0.174 1.00 0.00 H new ATOM 0 HG2 GLU A 150 29.666 2.849 2.218 1.00 0.00 H new ATOM 0 HG3 GLU A 150 28.038 3.488 2.104 1.00 0.00 H new ATOM 259 N GLU A 151 31.745 3.849 0.115 1.00 0.00 N ATOM 260 CA GLU A 151 33.080 3.991 0.684 1.00 0.00 C ATOM 261 C GLU A 151 33.588 5.417 0.502 1.00 0.00 C ATOM 262 O GLU A 151 34.360 5.921 1.319 1.00 0.00 O ATOM 263 CB GLU A 151 34.044 3.013 0.009 1.00 0.00 C ATOM 264 CG GLU A 151 33.663 1.579 0.386 1.00 0.00 C ATOM 265 CD GLU A 151 34.591 0.592 -0.314 1.00 0.00 C ATOM 266 OE1 GLU A 151 35.444 1.040 -1.062 1.00 0.00 O ATOM 267 OE2 GLU A 151 34.436 -0.597 -0.090 1.00 0.00 O ATOM 0 H GLU A 151 31.681 3.189 -0.660 1.00 0.00 H new ATOM 0 HA GLU A 151 33.027 3.768 1.750 1.00 0.00 H new ATOM 0 HB2 GLU A 151 34.007 3.138 -1.073 1.00 0.00 H new ATOM 0 HB3 GLU A 151 35.068 3.222 0.319 1.00 0.00 H new ATOM 0 HG2 GLU A 151 33.728 1.449 1.466 1.00 0.00 H new ATOM 0 HG3 GLU A 151 32.629 1.382 0.103 1.00 0.00 H new ATOM 274 N LEU A 152 33.151 6.063 -0.575 1.00 0.00 N ATOM 275 CA LEU A 152 33.579 7.427 -0.861 1.00 0.00 C ATOM 276 C LEU A 152 33.149 8.367 0.260 1.00 0.00 C ATOM 277 O LEU A 152 33.940 9.178 0.742 1.00 0.00 O ATOM 278 CB LEU A 152 32.974 7.898 -2.185 1.00 0.00 C ATOM 279 CG LEU A 152 33.414 9.335 -2.465 1.00 0.00 C ATOM 280 CD1 LEU A 152 34.941 9.402 -2.513 1.00 0.00 C ATOM 281 CD2 LEU A 152 32.843 9.789 -3.811 1.00 0.00 C ATOM 0 H LEU A 152 32.506 5.667 -1.259 1.00 0.00 H new ATOM 0 HA LEU A 152 34.666 7.440 -0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 152 33.294 7.244 -2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 152 31.886 7.842 -2.140 1.00 0.00 H new ATOM 0 HG LEU A 152 33.046 9.988 -1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 152 35.254 10.427 -2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 152 35.350 9.078 -1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 152 35.309 8.749 -3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 152 33.156 10.814 -4.012 1.00 0.00 H new ATOM 0 HD22 LEU A 152 33.211 9.135 -4.602 1.00 0.00 H new ATOM 0 HD23 LEU A 152 31.754 9.742 -3.779 1.00 0.00 H new ATOM 293 N ARG A 153 31.890 8.253 0.671 1.00 0.00 N ATOM 294 CA ARG A 153 31.365 9.102 1.736 1.00 0.00 C ATOM 295 C ARG A 153 32.090 8.822 3.048 1.00 0.00 C ATOM 296 O ARG A 153 32.480 9.746 3.762 1.00 0.00 O ATOM 297 CB ARG A 153 29.867 8.849 1.914 1.00 0.00 C ATOM 298 CG ARG A 153 29.105 9.423 0.716 1.00 0.00 C ATOM 299 CD ARG A 153 27.603 9.234 0.928 1.00 0.00 C ATOM 300 NE ARG A 153 27.249 7.824 0.811 1.00 0.00 N ATOM 301 CZ ARG A 153 27.001 7.275 -0.374 1.00 0.00 C ATOM 302 NH1 ARG A 153 27.073 7.998 -1.457 1.00 0.00 N ATOM 303 NH2 ARG A 153 26.686 6.010 -0.454 1.00 0.00 N ATOM 0 H ARG A 153 31.219 7.587 0.287 1.00 0.00 H new ATOM 0 HA ARG A 153 31.526 10.144 1.459 1.00 0.00 H new ATOM 0 HB2 ARG A 153 29.676 7.779 2.001 1.00 0.00 H new ATOM 0 HB3 ARG A 153 29.517 9.312 2.837 1.00 0.00 H new ATOM 0 HG2 ARG A 153 29.336 10.482 0.598 1.00 0.00 H new ATOM 0 HG3 ARG A 153 29.419 8.924 -0.201 1.00 0.00 H new ATOM 0 HD2 ARG A 153 27.318 9.607 1.912 1.00 0.00 H new ATOM 0 HD3 ARG A 153 27.049 9.817 0.193 1.00 0.00 H new ATOM 0 HE ARG A 153 27.191 7.250 1.652 1.00 0.00 H new ATOM 0 HH11 ARG A 153 27.320 8.986 -1.395 1.00 0.00 H new ATOM 0 HH12 ARG A 153 26.883 7.576 -2.366 1.00 0.00 H new ATOM 0 HH21 ARG A 153 26.630 5.444 0.393 1.00 0.00 H new ATOM 0 HH22 ARG A 153 26.496 5.588 -1.363 1.00 0.00 H new ATOM 317 N LEU A 154 32.268 7.542 3.358 1.00 0.00 N ATOM 318 CA LEU A 154 32.945 7.152 4.589 1.00 0.00 C ATOM 319 C LEU A 154 34.410 7.576 4.550 1.00 0.00 C ATOM 320 O LEU A 154 34.949 8.070 5.540 1.00 0.00 O ATOM 321 CB LEU A 154 32.856 5.636 4.776 1.00 0.00 C ATOM 322 CG LEU A 154 31.406 5.240 5.054 1.00 0.00 C ATOM 323 CD1 LEU A 154 31.286 3.715 5.065 1.00 0.00 C ATOM 324 CD2 LEU A 154 30.979 5.793 6.416 1.00 0.00 C ATOM 0 H LEU A 154 31.956 6.763 2.779 1.00 0.00 H new ATOM 0 HA LEU A 154 32.455 7.650 5.426 1.00 0.00 H new ATOM 0 HB2 LEU A 154 33.218 5.127 3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 154 33.494 5.323 5.602 1.00 0.00 H new ATOM 0 HG LEU A 154 30.762 5.650 4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 154 30.252 3.433 5.263 1.00 0.00 H new ATOM 0 HD12 LEU A 154 31.591 3.319 4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 154 31.930 3.305 5.843 1.00 0.00 H new ATOM 0 HD21 LEU A 154 29.945 5.511 6.615 1.00 0.00 H new ATOM 0 HD22 LEU A 154 31.623 5.383 7.194 1.00 0.00 H new ATOM 0 HD23 LEU A 154 31.064 6.880 6.410 1.00 0.00 H new ATOM 336 N GLU A 155 35.045 7.382 3.400 1.00 0.00 N ATOM 337 CA GLU A 155 36.449 7.743 3.244 1.00 0.00 C ATOM 338 C GLU A 155 36.643 9.241 3.460 1.00 0.00 C ATOM 339 O GLU A 155 37.611 9.668 4.089 1.00 0.00 O ATOM 340 CB GLU A 155 36.937 7.359 1.845 1.00 0.00 C ATOM 341 CG GLU A 155 38.450 7.566 1.756 1.00 0.00 C ATOM 342 CD GLU A 155 38.949 7.171 0.371 1.00 0.00 C ATOM 343 OE1 GLU A 155 38.119 6.952 -0.496 1.00 0.00 O ATOM 344 OE2 GLU A 155 40.154 7.093 0.198 1.00 0.00 O ATOM 0 H GLU A 155 34.614 6.980 2.568 1.00 0.00 H new ATOM 0 HA GLU A 155 37.029 7.201 3.991 1.00 0.00 H new ATOM 0 HB2 GLU A 155 36.689 6.319 1.635 1.00 0.00 H new ATOM 0 HB3 GLU A 155 36.432 7.965 1.093 1.00 0.00 H new ATOM 0 HG2 GLU A 155 38.695 8.609 1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 155 38.953 6.969 2.517 1.00 0.00 H new ATOM 351 N GLU A 156 35.713 10.032 2.934 1.00 0.00 N ATOM 352 CA GLU A 156 35.794 11.482 3.071 1.00 0.00 C ATOM 353 C GLU A 156 35.473 11.902 4.501 1.00 0.00 C ATOM 354 O GLU A 156 36.122 12.787 5.059 1.00 0.00 O ATOM 355 CB GLU A 156 34.813 12.153 2.107 1.00 0.00 C ATOM 356 CG GLU A 156 35.290 11.949 0.668 1.00 0.00 C ATOM 357 CD GLU A 156 34.258 12.506 -0.307 1.00 0.00 C ATOM 358 OE1 GLU A 156 33.247 13.008 0.154 1.00 0.00 O ATOM 359 OE2 GLU A 156 34.495 12.421 -1.501 1.00 0.00 O ATOM 0 H GLU A 156 34.902 9.698 2.414 1.00 0.00 H new ATOM 0 HA GLU A 156 36.810 11.796 2.831 1.00 0.00 H new ATOM 0 HB2 GLU A 156 33.816 11.731 2.234 1.00 0.00 H new ATOM 0 HB3 GLU A 156 34.739 13.218 2.329 1.00 0.00 H new ATOM 0 HG2 GLU A 156 36.248 12.447 0.520 1.00 0.00 H new ATOM 0 HG3 GLU A 156 35.449 10.888 0.476 1.00 0.00 H new ATOM 366 N ALA A 157 34.469 11.260 5.089 1.00 0.00 N ATOM 367 CA ALA A 157 34.075 11.572 6.458 1.00 0.00 C ATOM 368 C ALA A 157 35.290 11.561 7.380 1.00 0.00 C ATOM 369 O ALA A 157 35.520 12.509 8.130 1.00 0.00 O ATOM 370 CB ALA A 157 33.049 10.549 6.952 1.00 0.00 C ATOM 0 H ALA A 157 33.917 10.527 4.644 1.00 0.00 H new ATOM 0 HA ALA A 157 33.631 12.567 6.471 1.00 0.00 H new ATOM 0 HB1 ALA A 157 32.760 10.789 7.975 1.00 0.00 H new ATOM 0 HB2 ALA A 157 32.169 10.577 6.310 1.00 0.00 H new ATOM 0 HB3 ALA A 157 33.487 9.551 6.923 1.00 0.00 H new ATOM 376 N LYS A 158 36.065 10.483 7.316 1.00 0.00 N ATOM 377 CA LYS A 158 37.254 10.359 8.150 1.00 0.00 C ATOM 378 C LYS A 158 38.240 11.483 7.845 1.00 0.00 C ATOM 379 O LYS A 158 38.884 12.020 8.746 1.00 0.00 O ATOM 380 CB LYS A 158 37.926 9.007 7.907 1.00 0.00 C ATOM 381 CG LYS A 158 37.030 7.888 8.440 1.00 0.00 C ATOM 382 CD LYS A 158 37.702 6.535 8.196 1.00 0.00 C ATOM 383 CE LYS A 158 36.825 5.419 8.766 1.00 0.00 C ATOM 384 NZ LYS A 158 37.461 4.099 8.493 1.00 0.00 N ATOM 0 H LYS A 158 35.893 9.688 6.700 1.00 0.00 H new ATOM 0 HA LYS A 158 36.951 10.429 9.195 1.00 0.00 H new ATOM 0 HB2 LYS A 158 38.107 8.866 6.842 1.00 0.00 H new ATOM 0 HB3 LYS A 158 38.896 8.977 8.402 1.00 0.00 H new ATOM 0 HG2 LYS A 158 36.849 8.029 9.506 1.00 0.00 H new ATOM 0 HG3 LYS A 158 36.059 7.918 7.945 1.00 0.00 H new ATOM 0 HD2 LYS A 158 37.856 6.381 7.128 1.00 0.00 H new ATOM 0 HD3 LYS A 158 38.685 6.515 8.666 1.00 0.00 H new ATOM 0 HE2 LYS A 158 36.694 5.557 9.839 1.00 0.00 H new ATOM 0 HE3 LYS A 158 35.833 5.456 8.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 36.865 3.340 8.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 37.564 3.969 7.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 38.399 4.066 8.942 1.00 0.00 H new ATOM 398 N LEU A 159 38.352 11.833 6.568 1.00 0.00 N ATOM 399 CA LEU A 159 39.263 12.895 6.155 1.00 0.00 C ATOM 400 C LEU A 159 38.887 14.212 6.826 1.00 0.00 C ATOM 401 O LEU A 159 39.740 14.900 7.387 1.00 0.00 O ATOM 402 CB LEU A 159 39.216 13.063 4.635 1.00 0.00 C ATOM 403 CG LEU A 159 40.143 14.205 4.219 1.00 0.00 C ATOM 404 CD1 LEU A 159 41.562 13.921 4.716 1.00 0.00 C ATOM 405 CD2 LEU A 159 40.154 14.321 2.693 1.00 0.00 C ATOM 0 H LEU A 159 37.828 11.401 5.807 1.00 0.00 H new ATOM 0 HA LEU A 159 40.273 12.620 6.458 1.00 0.00 H new ATOM 0 HB2 LEU A 159 39.520 12.137 4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 159 38.196 13.273 4.313 1.00 0.00 H new ATOM 0 HG LEU A 159 39.786 15.138 4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 159 42.222 14.736 4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 159 41.557 13.837 5.803 1.00 0.00 H new ATOM 0 HD13 LEU A 159 41.920 12.988 4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 159 40.815 15.135 2.395 1.00 0.00 H new ATOM 0 HD22 LEU A 159 40.511 13.387 2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 159 39.144 14.524 2.336 1.00 0.00 H new ATOM 417 N VAL A 160 37.604 14.555 6.767 1.00 0.00 N ATOM 418 CA VAL A 160 37.120 15.776 7.400 1.00 0.00 C ATOM 419 C VAL A 160 37.413 15.753 8.897 1.00 0.00 C ATOM 420 O VAL A 160 37.823 16.760 9.475 1.00 0.00 O ATOM 421 CB VAL A 160 35.615 15.921 7.175 1.00 0.00 C ATOM 422 CG1 VAL A 160 35.076 17.062 8.038 1.00 0.00 C ATOM 423 CG2 VAL A 160 35.348 16.230 5.699 1.00 0.00 C ATOM 0 H VAL A 160 36.886 14.009 6.291 1.00 0.00 H new ATOM 0 HA VAL A 160 37.636 16.625 6.952 1.00 0.00 H new ATOM 0 HB VAL A 160 35.116 14.991 7.450 1.00 0.00 H new ATOM 0 HG11 VAL A 160 34.003 17.165 7.877 1.00 0.00 H new ATOM 0 HG12 VAL A 160 35.266 16.844 9.089 1.00 0.00 H new ATOM 0 HG13 VAL A 160 35.574 17.992 7.764 1.00 0.00 H new ATOM 0 HG21 VAL A 160 34.275 16.334 5.537 1.00 0.00 H new ATOM 0 HG22 VAL A 160 35.848 17.159 5.426 1.00 0.00 H new ATOM 0 HG23 VAL A 160 35.731 15.417 5.082 1.00 0.00 H new ATOM 433 N LEU A 161 37.201 14.597 9.517 1.00 0.00 N ATOM 434 CA LEU A 161 37.450 14.452 10.947 1.00 0.00 C ATOM 435 C LEU A 161 38.923 14.696 11.259 1.00 0.00 C ATOM 436 O LEU A 161 39.259 15.365 12.236 1.00 0.00 O ATOM 437 CB LEU A 161 37.053 13.048 11.408 1.00 0.00 C ATOM 438 CG LEU A 161 37.377 12.887 12.894 1.00 0.00 C ATOM 439 CD1 LEU A 161 36.281 12.059 13.569 1.00 0.00 C ATOM 440 CD2 LEU A 161 38.721 12.172 13.047 1.00 0.00 C ATOM 0 H LEU A 161 36.860 13.753 9.057 1.00 0.00 H new ATOM 0 HA LEU A 161 36.850 15.190 11.479 1.00 0.00 H new ATOM 0 HB2 LEU A 161 35.989 12.885 11.237 1.00 0.00 H new ATOM 0 HB3 LEU A 161 37.588 12.298 10.825 1.00 0.00 H new ATOM 0 HG LEU A 161 37.431 13.870 13.363 1.00 0.00 H new ATOM 0 HD11 LEU A 161 36.512 11.944 14.628 1.00 0.00 H new ATOM 0 HD12 LEU A 161 35.322 12.566 13.459 1.00 0.00 H new ATOM 0 HD13 LEU A 161 36.227 11.076 13.101 1.00 0.00 H new ATOM 0 HD21 LEU A 161 38.953 12.057 14.106 1.00 0.00 H new ATOM 0 HD22 LEU A 161 38.666 11.189 12.578 1.00 0.00 H new ATOM 0 HD23 LEU A 161 39.503 12.760 12.566 1.00 0.00 H new ATOM 452 N LEU A 162 39.798 14.146 10.423 1.00 0.00 N ATOM 453 CA LEU A 162 41.234 14.312 10.617 1.00 0.00 C ATOM 454 C LEU A 162 41.604 15.791 10.615 1.00 0.00 C ATOM 455 O LEU A 162 42.443 16.233 11.401 1.00 0.00 O ATOM 456 CB LEU A 162 41.998 13.590 9.505 1.00 0.00 C ATOM 457 CG LEU A 162 41.883 12.079 9.703 1.00 0.00 C ATOM 458 CD1 LEU A 162 42.470 11.357 8.490 1.00 0.00 C ATOM 459 CD2 LEU A 162 42.653 11.670 10.961 1.00 0.00 C ATOM 0 H LEU A 162 39.541 13.586 9.611 1.00 0.00 H new ATOM 0 HA LEU A 162 41.506 13.882 11.581 1.00 0.00 H new ATOM 0 HB2 LEU A 162 41.596 13.871 8.532 1.00 0.00 H new ATOM 0 HB3 LEU A 162 43.046 13.890 9.516 1.00 0.00 H new ATOM 0 HG LEU A 162 40.833 11.807 9.813 1.00 0.00 H new ATOM 0 HD11 LEU A 162 42.387 10.280 8.633 1.00 0.00 H new ATOM 0 HD12 LEU A 162 41.922 11.647 7.593 1.00 0.00 H new ATOM 0 HD13 LEU A 162 43.520 11.629 8.378 1.00 0.00 H new ATOM 0 HD21 LEU A 162 42.572 10.592 11.103 1.00 0.00 H new ATOM 0 HD22 LEU A 162 43.702 11.943 10.850 1.00 0.00 H new ATOM 0 HD23 LEU A 162 42.234 12.183 11.827 1.00 0.00 H new ATOM 471 N LYS A 163 40.974 16.552 9.726 1.00 0.00 N ATOM 472 CA LYS A 163 41.232 17.985 9.643 1.00 0.00 C ATOM 473 C LYS A 163 40.847 18.674 10.948 1.00 0.00 C ATOM 474 O LYS A 163 41.569 19.543 11.438 1.00 0.00 O ATOM 475 CB LYS A 163 40.432 18.593 8.489 1.00 0.00 C ATOM 476 CG LYS A 163 41.005 18.102 7.157 1.00 0.00 C ATOM 477 CD LYS A 163 40.236 18.747 6.001 1.00 0.00 C ATOM 478 CE LYS A 163 40.816 18.266 4.671 1.00 0.00 C ATOM 479 NZ LYS A 163 40.069 18.898 3.547 1.00 0.00 N ATOM 0 H LYS A 163 40.286 16.204 9.058 1.00 0.00 H new ATOM 0 HA LYS A 163 42.297 18.134 9.466 1.00 0.00 H new ATOM 0 HB2 LYS A 163 39.382 18.311 8.572 1.00 0.00 H new ATOM 0 HB3 LYS A 163 40.474 19.681 8.536 1.00 0.00 H new ATOM 0 HG2 LYS A 163 42.063 18.354 7.089 1.00 0.00 H new ATOM 0 HG3 LYS A 163 40.932 17.016 7.096 1.00 0.00 H new ATOM 0 HD2 LYS A 163 39.179 18.488 6.064 1.00 0.00 H new ATOM 0 HD3 LYS A 163 40.302 19.833 6.067 1.00 0.00 H new ATOM 0 HE2 LYS A 163 41.874 18.523 4.609 1.00 0.00 H new ATOM 0 HE3 LYS A 163 40.747 17.180 4.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 40.463 18.571 2.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 39.065 18.632 3.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 40.157 19.932 3.610 1.00 0.00 H new ATOM 493 N LYS A 164 39.707 18.280 11.506 1.00 0.00 N ATOM 494 CA LYS A 164 39.245 18.855 12.764 1.00 0.00 C ATOM 495 C LYS A 164 40.212 18.515 13.894 1.00 0.00 C ATOM 496 O LYS A 164 40.434 19.321 14.797 1.00 0.00 O ATOM 497 CB LYS A 164 37.853 18.319 13.102 1.00 0.00 C ATOM 498 CG LYS A 164 36.873 18.707 11.992 1.00 0.00 C ATOM 499 CD LYS A 164 36.480 20.177 12.148 1.00 0.00 C ATOM 500 CE LYS A 164 35.446 20.546 11.083 1.00 0.00 C ATOM 501 NZ LYS A 164 35.102 21.990 11.202 1.00 0.00 N ATOM 0 H LYS A 164 39.090 17.570 11.111 1.00 0.00 H new ATOM 0 HA LYS A 164 39.200 19.938 12.653 1.00 0.00 H new ATOM 0 HB2 LYS A 164 37.886 17.235 13.210 1.00 0.00 H new ATOM 0 HB3 LYS A 164 37.517 18.725 14.056 1.00 0.00 H new ATOM 0 HG2 LYS A 164 37.330 18.543 11.016 1.00 0.00 H new ATOM 0 HG3 LYS A 164 35.986 18.076 12.039 1.00 0.00 H new ATOM 0 HD2 LYS A 164 36.070 20.351 13.143 1.00 0.00 H new ATOM 0 HD3 LYS A 164 37.361 20.812 12.050 1.00 0.00 H new ATOM 0 HE2 LYS A 164 35.842 20.336 10.089 1.00 0.00 H new ATOM 0 HE3 LYS A 164 34.550 19.937 11.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 34.399 22.240 10.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 34.708 22.176 12.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 35.959 22.563 11.065 1.00 0.00 H new ATOM 515 N LEU A 165 40.786 17.317 13.834 1.00 0.00 N ATOM 516 CA LEU A 165 41.733 16.884 14.854 1.00 0.00 C ATOM 517 C LEU A 165 42.960 17.790 14.862 1.00 0.00 C ATOM 518 O LEU A 165 43.481 18.139 15.922 1.00 0.00 O ATOM 519 CB LEU A 165 42.165 15.441 14.586 1.00 0.00 C ATOM 520 CG LEU A 165 43.154 14.995 15.663 1.00 0.00 C ATOM 521 CD1 LEU A 165 42.500 15.118 17.041 1.00 0.00 C ATOM 522 CD2 LEU A 165 43.552 13.537 15.418 1.00 0.00 C ATOM 0 H LEU A 165 40.613 16.634 13.096 1.00 0.00 H new ATOM 0 HA LEU A 165 41.244 16.942 15.827 1.00 0.00 H new ATOM 0 HB2 LEU A 165 41.295 14.785 14.582 1.00 0.00 H new ATOM 0 HB3 LEU A 165 42.625 15.365 13.601 1.00 0.00 H new ATOM 0 HG LEU A 165 44.041 15.627 15.624 1.00 0.00 H new ATOM 0 HD11 LEU A 165 43.206 14.800 17.808 1.00 0.00 H new ATOM 0 HD12 LEU A 165 42.215 16.155 17.217 1.00 0.00 H new ATOM 0 HD13 LEU A 165 41.612 14.487 17.080 1.00 0.00 H new ATOM 0 HD21 LEU A 165 44.257 13.218 16.186 1.00 0.00 H new ATOM 0 HD22 LEU A 165 42.664 12.906 15.457 1.00 0.00 H new ATOM 0 HD23 LEU A 165 44.019 13.447 14.437 1.00 0.00 H new ATOM 534 N ARG A 166 43.416 18.167 13.672 1.00 0.00 N ATOM 535 CA ARG A 166 44.584 19.033 13.551 1.00 0.00 C ATOM 536 C ARG A 166 44.322 20.380 14.217 1.00 0.00 C ATOM 537 O ARG A 166 45.209 20.952 14.852 1.00 0.00 O ATOM 538 CB ARG A 166 44.923 19.248 12.075 1.00 0.00 C ATOM 539 CG ARG A 166 45.546 17.974 11.502 1.00 0.00 C ATOM 540 CD ARG A 166 45.841 18.174 10.015 1.00 0.00 C ATOM 541 NE ARG A 166 46.833 19.228 9.833 1.00 0.00 N ATOM 542 CZ ARG A 166 48.134 18.958 9.855 1.00 0.00 C ATOM 543 NH1 ARG A 166 48.542 17.734 10.041 1.00 0.00 N ATOM 544 NH2 ARG A 166 49.002 19.919 9.691 1.00 0.00 N ATOM 0 H ARG A 166 42.999 17.889 12.784 1.00 0.00 H new ATOM 0 HA ARG A 166 45.425 18.551 14.050 1.00 0.00 H new ATOM 0 HB2 ARG A 166 44.022 19.507 11.518 1.00 0.00 H new ATOM 0 HB3 ARG A 166 45.615 20.083 11.968 1.00 0.00 H new ATOM 0 HG2 ARG A 166 46.465 17.734 12.037 1.00 0.00 H new ATOM 0 HG3 ARG A 166 44.868 17.132 11.639 1.00 0.00 H new ATOM 0 HD2 ARG A 166 46.206 17.243 9.581 1.00 0.00 H new ATOM 0 HD3 ARG A 166 44.923 18.434 9.487 1.00 0.00 H new ATOM 0 HE ARG A 166 46.523 20.189 9.686 1.00 0.00 H new ATOM 0 HH11 ARG A 166 47.863 16.984 10.170 1.00 0.00 H new ATOM 0 HH12 ARG A 166 49.540 17.526 10.058 1.00 0.00 H new ATOM 0 HH21 ARG A 166 48.682 20.876 9.546 1.00 0.00 H new ATOM 0 HH22 ARG A 166 50.001 19.712 9.708 1.00 0.00 H new ATOM 558 N GLN A 167 43.100 20.881 14.068 1.00 0.00 N ATOM 559 CA GLN A 167 42.733 22.160 14.663 1.00 0.00 C ATOM 560 C GLN A 167 42.458 21.998 16.154 1.00 0.00 C ATOM 561 O GLN A 167 42.434 22.975 16.901 1.00 0.00 O ATOM 562 CB GLN A 167 41.489 22.721 13.970 1.00 0.00 C ATOM 563 CG GLN A 167 41.139 24.082 14.573 1.00 0.00 C ATOM 564 CD GLN A 167 40.003 24.725 13.784 1.00 0.00 C ATOM 565 OE1 GLN A 167 39.744 24.341 12.643 1.00 0.00 O ATOM 566 NE2 GLN A 167 39.305 25.684 14.326 1.00 0.00 N ATOM 0 H GLN A 167 42.353 20.425 13.545 1.00 0.00 H new ATOM 0 HA GLN A 167 43.565 22.852 14.532 1.00 0.00 H new ATOM 0 HB2 GLN A 167 41.670 22.821 12.900 1.00 0.00 H new ATOM 0 HB3 GLN A 167 40.652 22.033 14.089 1.00 0.00 H new ATOM 0 HG2 GLN A 167 40.846 23.962 15.616 1.00 0.00 H new ATOM 0 HG3 GLN A 167 42.015 24.731 14.560 1.00 0.00 H new ATOM 0 HE21 GLN A 167 39.521 26.001 15.271 1.00 0.00 H new ATOM 0 HE22 GLN A 167 38.543 26.117 13.805 1.00 0.00 H new ATOM 575 N SER A 168 42.253 20.756 16.582 1.00 0.00 N ATOM 576 CA SER A 168 41.969 20.478 17.985 1.00 0.00 C ATOM 577 C SER A 168 43.266 20.370 18.781 1.00 0.00 C ATOM 578 O SER A 168 43.261 20.457 20.009 1.00 0.00 O ATOM 579 CB SER A 168 41.181 19.174 18.110 1.00 0.00 C ATOM 580 OG SER A 168 39.914 19.329 17.484 1.00 0.00 O ATOM 0 H SER A 168 42.278 19.932 15.982 1.00 0.00 H new ATOM 0 HA SER A 168 41.376 21.299 18.387 1.00 0.00 H new ATOM 0 HB2 SER A 168 41.732 18.357 17.645 1.00 0.00 H new ATOM 0 HB3 SER A 168 41.051 18.913 19.160 1.00 0.00 H new ATOM 0 HG SER A 168 40.029 19.336 16.511 1.00 0.00 H new ATOM 586 N GLN A 169 44.375 20.183 18.073 1.00 0.00 N ATOM 587 CA GLN A 169 45.672 20.049 18.725 1.00 0.00 C ATOM 588 C GLN A 169 46.274 21.422 19.005 1.00 0.00 C ATOM 589 O GLN A 169 47.299 21.536 19.677 1.00 0.00 O ATOM 590 CB GLN A 169 46.623 19.243 17.838 1.00 0.00 C ATOM 591 CG GLN A 169 46.151 17.790 17.770 1.00 0.00 C ATOM 592 CD GLN A 169 46.266 17.141 19.145 1.00 0.00 C ATOM 593 OE1 GLN A 169 47.259 17.341 19.847 1.00 0.00 O ATOM 594 NE2 GLN A 169 45.305 16.369 19.575 1.00 0.00 N ATOM 0 H GLN A 169 44.402 20.121 17.055 1.00 0.00 H new ATOM 0 HA GLN A 169 45.530 19.527 19.671 1.00 0.00 H new ATOM 0 HB2 GLN A 169 46.655 19.673 16.837 1.00 0.00 H new ATOM 0 HB3 GLN A 169 47.636 19.289 18.237 1.00 0.00 H new ATOM 0 HG2 GLN A 169 45.118 17.750 17.425 1.00 0.00 H new ATOM 0 HG3 GLN A 169 46.750 17.237 17.046 1.00 0.00 H new ATOM 0 HE21 GLN A 169 44.484 16.205 18.993 1.00 0.00 H new ATOM 0 HE22 GLN A 169 45.375 15.930 20.493 1.00 0.00 H new ATOM 823 N ILE B 214 48.960 10.490 17.042 1.00 0.00 N ATOM 824 CA ILE B 214 49.265 11.760 16.394 1.00 0.00 C ATOM 825 C ILE B 214 49.196 11.617 14.878 1.00 0.00 C ATOM 826 O ILE B 214 49.407 10.532 14.336 1.00 0.00 O ATOM 827 CB ILE B 214 50.661 12.233 16.801 1.00 0.00 C ATOM 828 CG1 ILE B 214 50.741 12.331 18.327 1.00 0.00 C ATOM 829 CG2 ILE B 214 50.934 13.607 16.188 1.00 0.00 C ATOM 830 CD1 ILE B 214 49.636 13.258 18.837 1.00 0.00 C ATOM 0 HA ILE B 214 48.526 12.495 16.713 1.00 0.00 H new ATOM 0 HB ILE B 214 51.404 11.521 16.442 1.00 0.00 H new ATOM 0 HG12 ILE B 214 50.634 11.342 18.772 1.00 0.00 H new ATOM 0 HG13 ILE B 214 51.717 12.712 18.627 1.00 0.00 H new ATOM 0 HG21 ILE B 214 51.929 13.944 16.478 1.00 0.00 H new ATOM 0 HG22 ILE B 214 50.877 13.539 15.102 1.00 0.00 H new ATOM 0 HG23 ILE B 214 50.191 14.319 16.546 1.00 0.00 H new ATOM 0 HD11 ILE B 214 49.692 13.328 19.923 1.00 0.00 H new ATOM 0 HD12 ILE B 214 49.763 14.249 18.402 1.00 0.00 H new ATOM 0 HD13 ILE B 214 48.664 12.858 18.549 1.00 0.00 H new ATOM 842 N VAL B 215 48.898 12.719 14.197 1.00 0.00 N ATOM 843 CA VAL B 215 48.802 12.705 12.742 1.00 0.00 C ATOM 844 C VAL B 215 49.960 13.479 12.120 1.00 0.00 C ATOM 845 O VAL B 215 50.325 14.556 12.593 1.00 0.00 O ATOM 846 CB VAL B 215 47.475 13.325 12.301 1.00 0.00 C ATOM 847 CG1 VAL B 215 47.508 13.582 10.794 1.00 0.00 C ATOM 848 CG2 VAL B 215 46.330 12.365 12.629 1.00 0.00 C ATOM 0 H VAL B 215 48.720 13.627 14.626 1.00 0.00 H new ATOM 0 HA VAL B 215 48.850 11.670 12.403 1.00 0.00 H new ATOM 0 HB VAL B 215 47.322 14.267 12.827 1.00 0.00 H new ATOM 0 HG11 VAL B 215 46.562 14.024 10.479 1.00 0.00 H new ATOM 0 HG12 VAL B 215 48.324 14.266 10.559 1.00 0.00 H new ATOM 0 HG13 VAL B 215 47.661 12.640 10.268 1.00 0.00 H new ATOM 0 HG21 VAL B 215 45.384 12.806 12.315 1.00 0.00 H new ATOM 0 HG22 VAL B 215 46.483 11.423 12.103 1.00 0.00 H new ATOM 0 HG23 VAL B 215 46.306 12.181 13.703 1.00 0.00 H new ATOM 858 N THR B 216 50.533 12.924 11.057 1.00 0.00 N ATOM 859 CA THR B 216 51.652 13.568 10.380 1.00 0.00 C ATOM 860 C THR B 216 51.178 14.275 9.115 1.00 0.00 C ATOM 861 O THR B 216 50.108 13.971 8.587 1.00 0.00 O ATOM 862 CB THR B 216 52.714 12.527 10.018 1.00 0.00 C ATOM 863 OG1 THR B 216 52.312 11.832 8.846 1.00 0.00 O ATOM 864 CG2 THR B 216 52.873 11.534 11.172 1.00 0.00 C ATOM 0 H THR B 216 50.243 12.036 10.648 1.00 0.00 H new ATOM 0 HA THR B 216 52.084 14.307 11.055 1.00 0.00 H new ATOM 0 HB THR B 216 53.666 13.026 9.838 1.00 0.00 H new ATOM 0 HG1 THR B 216 52.992 11.166 8.611 1.00 0.00 H new ATOM 0 HG21 THR B 216 53.629 10.793 10.913 1.00 0.00 H new ATOM 0 HG22 THR B 216 53.181 12.068 12.071 1.00 0.00 H new ATOM 0 HG23 THR B 216 51.922 11.033 11.355 1.00 0.00 H new ATOM 872 N ASP B 217 51.980 15.219 8.634 1.00 0.00 N ATOM 873 CA ASP B 217 51.630 15.965 7.431 1.00 0.00 C ATOM 874 C ASP B 217 51.505 15.026 6.235 1.00 0.00 C ATOM 875 O ASP B 217 50.624 15.193 5.393 1.00 0.00 O ATOM 876 CB ASP B 217 52.696 17.023 7.142 1.00 0.00 C ATOM 877 CG ASP B 217 52.590 18.159 8.154 1.00 0.00 C ATOM 878 OD1 ASP B 217 51.622 18.177 8.896 1.00 0.00 O ATOM 879 OD2 ASP B 217 53.478 18.996 8.171 1.00 0.00 O ATOM 0 H ASP B 217 52.870 15.484 9.055 1.00 0.00 H new ATOM 0 HA ASP B 217 50.670 16.454 7.597 1.00 0.00 H new ATOM 0 HB2 ASP B 217 53.688 16.574 7.189 1.00 0.00 H new ATOM 0 HB3 ASP B 217 52.570 17.412 6.132 1.00 0.00 H new ATOM 884 N GLU B 218 52.393 14.040 6.169 1.00 0.00 N ATOM 885 CA GLU B 218 52.376 13.083 5.068 1.00 0.00 C ATOM 886 C GLU B 218 51.071 12.294 5.063 1.00 0.00 C ATOM 887 O GLU B 218 50.360 12.258 4.059 1.00 0.00 O ATOM 888 CB GLU B 218 53.557 12.118 5.196 1.00 0.00 C ATOM 889 CG GLU B 218 53.570 11.164 4.000 1.00 0.00 C ATOM 890 CD GLU B 218 54.783 10.245 4.080 1.00 0.00 C ATOM 891 OE1 GLU B 218 55.684 10.551 4.844 1.00 0.00 O ATOM 892 OE2 GLU B 218 54.795 9.249 3.375 1.00 0.00 O ATOM 0 H GLU B 218 53.128 13.883 6.859 1.00 0.00 H new ATOM 0 HA GLU B 218 52.457 13.635 4.131 1.00 0.00 H new ATOM 0 HB2 GLU B 218 54.493 12.676 5.240 1.00 0.00 H new ATOM 0 HB3 GLU B 218 53.479 11.553 6.125 1.00 0.00 H new ATOM 0 HG2 GLU B 218 52.655 10.572 3.987 1.00 0.00 H new ATOM 0 HG3 GLU B 218 53.595 11.733 3.071 1.00 0.00 H new ATOM 899 N ASP B 219 50.763 11.662 6.191 1.00 0.00 N ATOM 900 CA ASP B 219 49.546 10.867 6.301 1.00 0.00 C ATOM 901 C ASP B 219 48.344 11.649 5.781 1.00 0.00 C ATOM 902 O ASP B 219 47.441 11.082 5.166 1.00 0.00 O ATOM 903 CB ASP B 219 49.309 10.476 7.762 1.00 0.00 C ATOM 904 CG ASP B 219 50.110 9.224 8.103 1.00 0.00 C ATOM 905 OD1 ASP B 219 50.534 8.547 7.180 1.00 0.00 O ATOM 906 OD2 ASP B 219 50.288 8.961 9.281 1.00 0.00 O ATOM 0 H ASP B 219 51.335 11.684 7.036 1.00 0.00 H new ATOM 0 HA ASP B 219 49.667 9.967 5.698 1.00 0.00 H new ATOM 0 HB2 ASP B 219 49.602 11.295 8.419 1.00 0.00 H new ATOM 0 HB3 ASP B 219 48.247 10.296 7.931 1.00 0.00 H new ATOM 911 N ILE B 220 48.340 12.954 6.033 1.00 0.00 N ATOM 912 CA ILE B 220 47.237 13.802 5.595 1.00 0.00 C ATOM 913 C ILE B 220 47.169 13.851 4.072 1.00 0.00 C ATOM 914 O ILE B 220 46.092 13.742 3.485 1.00 0.00 O ATOM 915 CB ILE B 220 47.418 15.219 6.145 1.00 0.00 C ATOM 916 CG1 ILE B 220 47.275 15.195 7.668 1.00 0.00 C ATOM 917 CG2 ILE B 220 46.352 16.139 5.549 1.00 0.00 C ATOM 918 CD1 ILE B 220 45.871 14.718 8.043 1.00 0.00 C ATOM 0 H ILE B 220 49.081 13.444 6.534 1.00 0.00 H new ATOM 0 HA ILE B 220 46.307 13.380 5.975 1.00 0.00 H new ATOM 0 HB ILE B 220 48.408 15.589 5.877 1.00 0.00 H new ATOM 0 HG12 ILE B 220 48.024 14.533 8.103 1.00 0.00 H new ATOM 0 HG13 ILE B 220 47.453 16.190 8.076 1.00 0.00 H new ATOM 0 HG21 ILE B 220 46.481 17.148 5.941 1.00 0.00 H new ATOM 0 HG22 ILE B 220 46.452 16.156 4.464 1.00 0.00 H new ATOM 0 HG23 ILE B 220 45.362 15.770 5.817 1.00 0.00 H new ATOM 0 HD11 ILE B 220 45.770 14.701 9.128 1.00 0.00 H new ATOM 0 HD12 ILE B 220 45.131 15.397 7.620 1.00 0.00 H new ATOM 0 HD13 ILE B 220 45.710 13.715 7.648 1.00 0.00 H new ATOM 930 N ARG B 221 48.325 14.017 3.437 1.00 0.00 N ATOM 931 CA ARG B 221 48.383 14.089 1.982 1.00 0.00 C ATOM 932 C ARG B 221 47.952 12.765 1.359 1.00 0.00 C ATOM 933 O ARG B 221 47.202 12.742 0.383 1.00 0.00 O ATOM 934 CB ARG B 221 49.805 14.429 1.532 1.00 0.00 C ATOM 935 CG ARG B 221 50.127 15.878 1.904 1.00 0.00 C ATOM 936 CD ARG B 221 51.554 16.212 1.469 1.00 0.00 C ATOM 937 NE ARG B 221 52.515 15.472 2.279 1.00 0.00 N ATOM 938 CZ ARG B 221 53.821 15.575 2.059 1.00 0.00 C ATOM 939 NH1 ARG B 221 54.265 16.347 1.105 1.00 0.00 N ATOM 940 NH2 ARG B 221 54.663 14.902 2.797 1.00 0.00 N ATOM 0 H ARG B 221 49.228 14.104 3.903 1.00 0.00 H new ATOM 0 HA ARG B 221 47.700 14.871 1.650 1.00 0.00 H new ATOM 0 HB2 ARG B 221 50.518 13.754 2.005 1.00 0.00 H new ATOM 0 HB3 ARG B 221 49.900 14.289 0.455 1.00 0.00 H new ATOM 0 HG2 ARG B 221 49.421 16.554 1.421 1.00 0.00 H new ATOM 0 HG3 ARG B 221 50.021 16.021 2.979 1.00 0.00 H new ATOM 0 HD2 ARG B 221 51.688 15.964 0.416 1.00 0.00 H new ATOM 0 HD3 ARG B 221 51.731 17.283 1.570 1.00 0.00 H new ATOM 0 HE ARG B 221 52.179 14.865 3.027 1.00 0.00 H new ATOM 0 HH11 ARG B 221 53.609 16.872 0.527 1.00 0.00 H new ATOM 0 HH12 ARG B 221 55.268 16.425 0.937 1.00 0.00 H new ATOM 0 HH21 ARG B 221 54.318 14.297 3.542 1.00 0.00 H new ATOM 0 HH22 ARG B 221 55.666 14.981 2.628 1.00 0.00 H new ATOM 954 N LYS B 222 48.433 11.665 1.929 1.00 0.00 N ATOM 955 CA LYS B 222 48.087 10.342 1.423 1.00 0.00 C ATOM 956 C LYS B 222 46.577 10.128 1.466 1.00 0.00 C ATOM 957 O LYS B 222 46.010 9.455 0.605 1.00 0.00 O ATOM 958 CB LYS B 222 48.781 9.264 2.258 1.00 0.00 C ATOM 959 CG LYS B 222 48.511 7.889 1.643 1.00 0.00 C ATOM 960 CD LYS B 222 49.238 6.815 2.454 1.00 0.00 C ATOM 961 CE LYS B 222 48.987 5.443 1.825 1.00 0.00 C ATOM 962 NZ LYS B 222 49.760 4.408 2.568 1.00 0.00 N ATOM 0 H LYS B 222 49.058 11.663 2.735 1.00 0.00 H new ATOM 0 HA LYS B 222 48.423 10.272 0.388 1.00 0.00 H new ATOM 0 HB2 LYS B 222 49.854 9.453 2.296 1.00 0.00 H new ATOM 0 HB3 LYS B 222 48.416 9.293 3.285 1.00 0.00 H new ATOM 0 HG2 LYS B 222 47.440 7.688 1.632 1.00 0.00 H new ATOM 0 HG3 LYS B 222 48.850 7.869 0.607 1.00 0.00 H new ATOM 0 HD2 LYS B 222 50.307 7.025 2.479 1.00 0.00 H new ATOM 0 HD3 LYS B 222 48.887 6.824 3.486 1.00 0.00 H new ATOM 0 HE2 LYS B 222 47.923 5.207 1.853 1.00 0.00 H new ATOM 0 HE3 LYS B 222 49.285 5.452 0.776 1.00 0.00 H new ATOM 0 HZ1 LYS B 222 49.590 3.475 2.141 1.00 0.00 H new ATOM 0 HZ2 LYS B 222 50.775 4.631 2.520 1.00 0.00 H new ATOM 0 HZ3 LYS B 222 49.455 4.395 3.562 1.00 0.00 H new ATOM 976 N GLN B 223 45.932 10.704 2.475 1.00 0.00 N ATOM 977 CA GLN B 223 44.489 10.556 2.628 1.00 0.00 C ATOM 978 C GLN B 223 43.750 11.389 1.585 1.00 0.00 C ATOM 979 O GLN B 223 42.779 10.929 0.985 1.00 0.00 O ATOM 980 CB GLN B 223 44.064 10.998 4.030 1.00 0.00 C ATOM 981 CG GLN B 223 44.530 9.961 5.056 1.00 0.00 C ATOM 982 CD GLN B 223 43.789 8.646 4.841 1.00 0.00 C ATOM 983 OE1 GLN B 223 42.559 8.622 4.819 1.00 0.00 O ATOM 984 NE2 GLN B 223 44.469 7.543 4.678 1.00 0.00 N ATOM 0 H GLN B 223 46.381 11.273 3.193 1.00 0.00 H new ATOM 0 HA GLN B 223 44.234 9.506 2.485 1.00 0.00 H new ATOM 0 HB2 GLN B 223 44.494 11.973 4.261 1.00 0.00 H new ATOM 0 HB3 GLN B 223 42.981 11.108 4.075 1.00 0.00 H new ATOM 0 HG2 GLN B 223 45.604 9.802 4.963 1.00 0.00 H new ATOM 0 HG3 GLN B 223 44.349 10.329 6.066 1.00 0.00 H new ATOM 0 HE21 GLN B 223 45.489 7.565 4.697 1.00 0.00 H new ATOM 0 HE22 GLN B 223 43.980 6.660 4.532 1.00 0.00 H new ATOM 993 N GLU B 224 44.216 12.616 1.377 1.00 0.00 N ATOM 994 CA GLU B 224 43.588 13.505 0.407 1.00 0.00 C ATOM 995 C GLU B 224 43.870 13.032 -1.016 1.00 0.00 C ATOM 996 O GLU B 224 42.975 13.009 -1.862 1.00 0.00 O ATOM 997 CB GLU B 224 44.116 14.930 0.586 1.00 0.00 C ATOM 998 CG GLU B 224 43.362 15.876 -0.350 1.00 0.00 C ATOM 999 CD GLU B 224 43.826 17.311 -0.125 1.00 0.00 C ATOM 1000 OE1 GLU B 224 44.839 17.490 0.530 1.00 0.00 O ATOM 1001 OE2 GLU B 224 43.160 18.211 -0.612 1.00 0.00 O ATOM 0 H GLU B 224 45.019 13.015 1.863 1.00 0.00 H new ATOM 0 HA GLU B 224 42.511 13.492 0.575 1.00 0.00 H new ATOM 0 HB2 GLU B 224 43.990 15.248 1.621 1.00 0.00 H new ATOM 0 HB3 GLU B 224 45.184 14.963 0.370 1.00 0.00 H new ATOM 0 HG2 GLU B 224 43.534 15.588 -1.387 1.00 0.00 H new ATOM 0 HG3 GLU B 224 42.289 15.800 -0.171 1.00 0.00 H new ATOM 1008 N GLU B 225 45.118 12.656 -1.273 1.00 0.00 N ATOM 1009 CA GLU B 225 45.507 12.193 -2.601 1.00 0.00 C ATOM 1010 C GLU B 225 44.788 10.895 -2.950 1.00 0.00 C ATOM 1011 O GLU B 225 44.347 10.704 -4.083 1.00 0.00 O ATOM 1012 CB GLU B 225 47.020 11.970 -2.654 1.00 0.00 C ATOM 1013 CG GLU B 225 47.739 13.317 -2.554 1.00 0.00 C ATOM 1014 CD GLU B 225 49.250 13.103 -2.553 1.00 0.00 C ATOM 1015 OE1 GLU B 225 49.666 11.959 -2.643 1.00 0.00 O ATOM 1016 OE2 GLU B 225 49.967 14.086 -2.462 1.00 0.00 O ATOM 0 H GLU B 225 45.872 12.662 -0.586 1.00 0.00 H new ATOM 0 HA GLU B 225 45.226 12.956 -3.327 1.00 0.00 H new ATOM 0 HB2 GLU B 225 47.331 11.318 -1.837 1.00 0.00 H new ATOM 0 HB3 GLU B 225 47.292 11.469 -3.583 1.00 0.00 H new ATOM 0 HG2 GLU B 225 47.454 13.954 -3.392 1.00 0.00 H new ATOM 0 HG3 GLU B 225 47.436 13.834 -1.643 1.00 0.00 H new ATOM 1023 N ARG B 226 44.674 10.005 -1.969 1.00 0.00 N ATOM 1024 CA ARG B 226 44.010 8.726 -2.185 1.00 0.00 C ATOM 1025 C ARG B 226 42.551 8.938 -2.578 1.00 0.00 C ATOM 1026 O ARG B 226 42.035 8.265 -3.471 1.00 0.00 O ATOM 1027 CB ARG B 226 44.080 7.879 -0.912 1.00 0.00 C ATOM 1028 CG ARG B 226 43.463 6.504 -1.178 1.00 0.00 C ATOM 1029 CD ARG B 226 43.699 5.597 0.030 1.00 0.00 C ATOM 1030 NE ARG B 226 43.026 6.137 1.206 1.00 0.00 N ATOM 1031 CZ ARG B 226 41.804 5.737 1.543 1.00 0.00 C ATOM 1032 NH1 ARG B 226 41.185 4.848 0.816 1.00 0.00 N ATOM 1033 NH2 ARG B 226 41.222 6.235 2.600 1.00 0.00 N ATOM 0 H ARG B 226 45.030 10.145 -1.024 1.00 0.00 H new ATOM 0 HA ARG B 226 44.520 8.206 -2.996 1.00 0.00 H new ATOM 0 HB2 ARG B 226 45.116 7.769 -0.593 1.00 0.00 H new ATOM 0 HB3 ARG B 226 43.548 8.377 -0.101 1.00 0.00 H new ATOM 0 HG2 ARG B 226 42.394 6.604 -1.368 1.00 0.00 H new ATOM 0 HG3 ARG B 226 43.906 6.061 -2.070 1.00 0.00 H new ATOM 0 HD2 ARG B 226 43.328 4.594 -0.181 1.00 0.00 H new ATOM 0 HD3 ARG B 226 44.768 5.507 0.223 1.00 0.00 H new ATOM 0 HE ARG B 226 43.501 6.834 1.780 1.00 0.00 H new ATOM 0 HH11 ARG B 226 41.639 4.460 -0.011 1.00 0.00 H new ATOM 0 HH12 ARG B 226 40.247 4.541 1.075 1.00 0.00 H new ATOM 0 HH21 ARG B 226 41.705 6.931 3.168 1.00 0.00 H new ATOM 0 HH22 ARG B 226 40.284 5.928 2.858 1.00 0.00 H new ATOM 1047 N VAL B 227 41.893 9.876 -1.905 1.00 0.00 N ATOM 1048 CA VAL B 227 40.494 10.169 -2.194 1.00 0.00 C ATOM 1049 C VAL B 227 40.346 10.747 -3.599 1.00 0.00 C ATOM 1050 O VAL B 227 39.402 10.420 -4.318 1.00 0.00 O ATOM 1051 CB VAL B 227 39.948 11.165 -1.170 1.00 0.00 C ATOM 1052 CG1 VAL B 227 38.618 11.732 -1.669 1.00 0.00 C ATOM 1053 CG2 VAL B 227 39.728 10.452 0.165 1.00 0.00 C ATOM 0 H VAL B 227 42.302 10.442 -1.162 1.00 0.00 H new ATOM 0 HA VAL B 227 39.927 9.240 -2.135 1.00 0.00 H new ATOM 0 HB VAL B 227 40.662 11.978 -1.036 1.00 0.00 H new ATOM 0 HG11 VAL B 227 38.228 12.442 -0.939 1.00 0.00 H new ATOM 0 HG12 VAL B 227 38.773 12.239 -2.621 1.00 0.00 H new ATOM 0 HG13 VAL B 227 37.903 10.920 -1.802 1.00 0.00 H new ATOM 0 HG21 VAL B 227 39.339 11.161 0.896 1.00 0.00 H new ATOM 0 HG22 VAL B 227 39.013 9.640 0.030 1.00 0.00 H new ATOM 0 HG23 VAL B 227 40.675 10.046 0.521 1.00 0.00 H new ATOM 1063 N GLN B 228 41.284 11.606 -3.982 1.00 0.00 N ATOM 1064 CA GLN B 228 41.236 12.239 -5.295 1.00 0.00 C ATOM 1065 C GLN B 228 41.273 11.186 -6.399 1.00 0.00 C ATOM 1066 O GLN B 228 40.693 11.374 -7.468 1.00 0.00 O ATOM 1067 CB GLN B 228 42.420 13.194 -5.459 1.00 0.00 C ATOM 1068 CG GLN B 228 42.189 14.445 -4.609 1.00 0.00 C ATOM 1069 CD GLN B 228 43.395 15.372 -4.707 1.00 0.00 C ATOM 1070 OE1 GLN B 228 44.489 15.018 -4.267 1.00 0.00 O ATOM 1071 NE2 GLN B 228 43.262 16.545 -5.263 1.00 0.00 N ATOM 0 H GLN B 228 42.081 11.879 -3.407 1.00 0.00 H new ATOM 0 HA GLN B 228 40.304 12.799 -5.373 1.00 0.00 H new ATOM 0 HB2 GLN B 228 43.343 12.701 -5.155 1.00 0.00 H new ATOM 0 HB3 GLN B 228 42.536 13.470 -6.507 1.00 0.00 H new ATOM 0 HG2 GLN B 228 41.292 14.964 -4.948 1.00 0.00 H new ATOM 0 HG3 GLN B 228 42.021 14.163 -3.570 1.00 0.00 H new ATOM 0 HE21 GLN B 228 42.355 16.837 -5.627 1.00 0.00 H new ATOM 0 HE22 GLN B 228 44.065 17.170 -5.334 1.00 0.00 H new ATOM 1080 N GLN B 229 41.957 10.079 -6.131 1.00 0.00 N ATOM 1081 CA GLN B 229 42.070 9.006 -7.113 1.00 0.00 C ATOM 1082 C GLN B 229 40.726 8.310 -7.303 1.00 0.00 C ATOM 1083 O GLN B 229 40.342 7.976 -8.424 1.00 0.00 O ATOM 1084 CB GLN B 229 43.115 7.987 -6.656 1.00 0.00 C ATOM 1085 CG GLN B 229 44.499 8.638 -6.661 1.00 0.00 C ATOM 1086 CD GLN B 229 44.891 9.021 -8.084 1.00 0.00 C ATOM 1087 OE1 GLN B 229 44.899 8.172 -8.976 1.00 0.00 O ATOM 1088 NE2 GLN B 229 45.218 10.255 -8.352 1.00 0.00 N ATOM 0 H GLN B 229 42.438 9.901 -5.249 1.00 0.00 H new ATOM 0 HA GLN B 229 42.379 9.440 -8.064 1.00 0.00 H new ATOM 0 HB2 GLN B 229 42.874 7.627 -5.656 1.00 0.00 H new ATOM 0 HB3 GLN B 229 43.107 7.120 -7.317 1.00 0.00 H new ATOM 0 HG2 GLN B 229 44.496 9.523 -6.025 1.00 0.00 H new ATOM 0 HG3 GLN B 229 45.235 7.950 -6.245 1.00 0.00 H new ATOM 0 HE21 GLN B 229 45.211 10.957 -7.612 1.00 0.00 H new ATOM 0 HE22 GLN B 229 45.481 10.518 -9.302 1.00 0.00 H new ATOM 1097 N VAL B 230 40.015 8.095 -6.202 1.00 0.00 N ATOM 1098 CA VAL B 230 38.715 7.438 -6.259 1.00 0.00 C ATOM 1099 C VAL B 230 37.722 8.283 -7.050 1.00 0.00 C ATOM 1100 O VAL B 230 36.980 7.766 -7.887 1.00 0.00 O ATOM 1101 CB VAL B 230 38.181 7.211 -4.845 1.00 0.00 C ATOM 1102 CG1 VAL B 230 36.744 6.689 -4.918 1.00 0.00 C ATOM 1103 CG2 VAL B 230 39.059 6.183 -4.128 1.00 0.00 C ATOM 0 H VAL B 230 40.314 8.364 -5.265 1.00 0.00 H new ATOM 0 HA VAL B 230 38.837 6.477 -6.759 1.00 0.00 H new ATOM 0 HB VAL B 230 38.198 8.152 -4.296 1.00 0.00 H new ATOM 0 HG11 VAL B 230 36.364 6.527 -3.909 1.00 0.00 H new ATOM 0 HG12 VAL B 230 36.117 7.420 -5.429 1.00 0.00 H new ATOM 0 HG13 VAL B 230 36.726 5.748 -5.468 1.00 0.00 H new ATOM 0 HG21 VAL B 230 38.679 6.020 -3.119 1.00 0.00 H new ATOM 0 HG22 VAL B 230 39.041 5.242 -4.678 1.00 0.00 H new ATOM 0 HG23 VAL B 230 40.083 6.553 -4.075 1.00 0.00 H new ATOM 1113 N ARG B 231 37.713 9.584 -6.782 1.00 0.00 N ATOM 1114 CA ARG B 231 36.802 10.490 -7.471 1.00 0.00 C ATOM 1115 C ARG B 231 36.948 10.349 -8.983 1.00 0.00 C ATOM 1116 O ARG B 231 35.956 10.288 -9.709 1.00 0.00 O ATOM 1117 CB ARG B 231 37.092 11.936 -7.061 1.00 0.00 C ATOM 1118 CG ARG B 231 36.005 12.854 -7.624 1.00 0.00 C ATOM 1119 CD ARG B 231 34.841 12.935 -6.635 1.00 0.00 C ATOM 1120 NE ARG B 231 35.277 13.561 -5.392 1.00 0.00 N ATOM 1121 CZ ARG B 231 34.465 13.646 -4.343 1.00 0.00 C ATOM 1122 NH1 ARG B 231 33.254 13.163 -4.416 1.00 0.00 N ATOM 1123 NH2 ARG B 231 34.877 14.211 -3.243 1.00 0.00 N ATOM 0 H ARG B 231 38.322 10.032 -6.097 1.00 0.00 H new ATOM 0 HA ARG B 231 35.781 10.231 -7.190 1.00 0.00 H new ATOM 0 HB2 ARG B 231 37.125 12.017 -5.975 1.00 0.00 H new ATOM 0 HB3 ARG B 231 38.070 12.242 -7.433 1.00 0.00 H new ATOM 0 HG2 ARG B 231 36.412 13.849 -7.805 1.00 0.00 H new ATOM 0 HG3 ARG B 231 35.655 12.474 -8.584 1.00 0.00 H new ATOM 0 HD2 ARG B 231 34.023 13.508 -7.072 1.00 0.00 H new ATOM 0 HD3 ARG B 231 34.457 11.935 -6.432 1.00 0.00 H new ATOM 0 HE ARG B 231 36.222 13.940 -5.326 1.00 0.00 H new ATOM 0 HH11 ARG B 231 32.932 12.721 -5.277 1.00 0.00 H new ATOM 0 HH12 ARG B 231 32.630 13.228 -3.612 1.00 0.00 H new ATOM 0 HH21 ARG B 231 35.823 14.588 -3.187 1.00 0.00 H new ATOM 0 HH22 ARG B 231 34.253 14.276 -2.438 1.00 0.00 H new ATOM 1137 N LYS B 232 38.191 10.298 -9.450 1.00 0.00 N ATOM 1138 CA LYS B 232 38.455 10.160 -10.878 1.00 0.00 C ATOM 1139 C LYS B 232 37.766 8.917 -11.431 1.00 0.00 C ATOM 1140 O LYS B 232 36.934 9.007 -12.334 1.00 0.00 O ATOM 1141 CB LYS B 232 39.962 10.063 -11.123 1.00 0.00 C ATOM 1142 CG LYS B 232 40.623 11.398 -10.780 1.00 0.00 C ATOM 1143 CD LYS B 232 42.134 11.290 -10.991 1.00 0.00 C ATOM 1144 CE LYS B 232 42.805 12.595 -10.561 1.00 0.00 C ATOM 1145 NZ LYS B 232 42.476 13.670 -11.539 1.00 0.00 N ATOM 0 H LYS B 232 39.026 10.350 -8.866 1.00 0.00 H new ATOM 0 HA LYS B 232 38.060 11.038 -11.389 1.00 0.00 H new ATOM 0 HB2 LYS B 232 40.389 9.267 -10.514 1.00 0.00 H new ATOM 0 HB3 LYS B 232 40.156 9.806 -12.164 1.00 0.00 H new ATOM 0 HG2 LYS B 232 40.214 12.190 -11.407 1.00 0.00 H new ATOM 0 HG3 LYS B 232 40.408 11.667 -9.746 1.00 0.00 H new ATOM 0 HD2 LYS B 232 42.534 10.456 -10.414 1.00 0.00 H new ATOM 0 HD3 LYS B 232 42.352 11.085 -12.039 1.00 0.00 H new ATOM 0 HE2 LYS B 232 42.466 12.879 -9.565 1.00 0.00 H new ATOM 0 HE3 LYS B 232 43.885 12.459 -10.504 1.00 0.00 H new ATOM 0 HZ1 LYS B 232 43.086 14.495 -11.367 1.00 0.00 H new ATOM 0 HZ2 LYS B 232 42.632 13.320 -12.506 1.00 0.00 H new ATOM 0 HZ3 LYS B 232 41.480 13.947 -11.428 1.00 0.00 H new ATOM 1159 N LYS B 233 38.116 7.759 -10.882 1.00 0.00 N ATOM 1160 CA LYS B 233 37.523 6.503 -11.328 1.00 0.00 C ATOM 1161 C LYS B 233 36.001 6.581 -11.270 1.00 0.00 C ATOM 1162 O LYS B 233 35.305 5.830 -11.955 1.00 0.00 O ATOM 1163 CB LYS B 233 38.011 5.352 -10.446 1.00 0.00 C ATOM 1164 CG LYS B 233 39.502 5.116 -10.693 1.00 0.00 C ATOM 1165 CD LYS B 233 39.982 3.939 -9.840 1.00 0.00 C ATOM 1166 CE LYS B 233 41.472 3.701 -10.091 1.00 0.00 C ATOM 1167 NZ LYS B 233 41.931 2.537 -9.280 1.00 0.00 N ATOM 0 H LYS B 233 38.802 7.663 -10.133 1.00 0.00 H new ATOM 0 HA LYS B 233 37.828 6.324 -12.359 1.00 0.00 H new ATOM 0 HB2 LYS B 233 37.838 5.586 -9.396 1.00 0.00 H new ATOM 0 HB3 LYS B 233 37.447 4.446 -10.667 1.00 0.00 H new ATOM 0 HG2 LYS B 233 39.678 4.909 -11.749 1.00 0.00 H new ATOM 0 HG3 LYS B 233 40.069 6.013 -10.445 1.00 0.00 H new ATOM 0 HD2 LYS B 233 39.809 4.147 -8.784 1.00 0.00 H new ATOM 0 HD3 LYS B 233 39.413 3.042 -10.086 1.00 0.00 H new ATOM 0 HE2 LYS B 233 41.648 3.512 -11.150 1.00 0.00 H new ATOM 0 HE3 LYS B 233 42.043 4.591 -9.826 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 42.944 2.374 -9.449 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 41.776 2.734 -8.271 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 41.393 1.690 -9.553 1.00 0.00 H new ATOM 1181 N LEU B 234 35.491 7.493 -10.450 1.00 0.00 N ATOM 1182 CA LEU B 234 34.048 7.656 -10.306 1.00 0.00 C ATOM 1183 C LEU B 234 33.494 8.529 -11.427 1.00 0.00 C ATOM 1184 O LEU B 234 32.549 8.146 -12.115 1.00 0.00 O ATOM 1185 CB LEU B 234 33.727 8.292 -8.952 1.00 0.00 C ATOM 1186 CG LEU B 234 33.240 7.212 -7.985 1.00 0.00 C ATOM 1187 CD1 LEU B 234 31.886 6.677 -8.455 1.00 0.00 C ATOM 1188 CD2 LEU B 234 34.255 6.067 -7.946 1.00 0.00 C ATOM 0 H LEU B 234 36.050 8.127 -9.879 1.00 0.00 H new ATOM 0 HA LEU B 234 33.581 6.673 -10.363 1.00 0.00 H new ATOM 0 HB2 LEU B 234 34.613 8.783 -8.550 1.00 0.00 H new ATOM 0 HB3 LEU B 234 32.963 9.060 -9.071 1.00 0.00 H new ATOM 0 HG LEU B 234 33.135 7.639 -6.988 1.00 0.00 H new ATOM 0 HD11 LEU B 234 31.540 5.907 -7.765 1.00 0.00 H new ATOM 0 HD12 LEU B 234 31.163 7.492 -8.483 1.00 0.00 H new ATOM 0 HD13 LEU B 234 31.990 6.250 -9.453 1.00 0.00 H new ATOM 0 HD21 LEU B 234 33.908 5.297 -7.257 1.00 0.00 H new ATOM 0 HD22 LEU B 234 34.361 5.640 -8.943 1.00 0.00 H new ATOM 0 HD23 LEU B 234 35.220 6.447 -7.610 1.00 0.00 H new ATOM 1200 N GLU B 235 34.090 9.703 -11.603 1.00 0.00 N ATOM 1201 CA GLU B 235 33.644 10.627 -12.640 1.00 0.00 C ATOM 1202 C GLU B 235 33.845 10.014 -14.023 1.00 0.00 C ATOM 1203 O GLU B 235 32.996 10.151 -14.903 1.00 0.00 O ATOM 1204 CB GLU B 235 34.424 11.939 -12.544 1.00 0.00 C ATOM 1205 CG GLU B 235 34.081 12.642 -11.229 1.00 0.00 C ATOM 1206 CD GLU B 235 32.606 13.030 -11.215 1.00 0.00 C ATOM 1207 OE1 GLU B 235 32.018 13.083 -12.283 1.00 0.00 O ATOM 1208 OE2 GLU B 235 32.086 13.268 -10.138 1.00 0.00 O ATOM 0 H GLU B 235 34.877 10.036 -11.046 1.00 0.00 H new ATOM 0 HA GLU B 235 32.583 10.826 -12.491 1.00 0.00 H new ATOM 0 HB2 GLU B 235 35.495 11.742 -12.595 1.00 0.00 H new ATOM 0 HB3 GLU B 235 34.178 12.583 -13.388 1.00 0.00 H new ATOM 0 HG2 GLU B 235 34.301 11.985 -10.388 1.00 0.00 H new ATOM 0 HG3 GLU B 235 34.701 13.531 -11.110 1.00 0.00 H new ATOM 1215 N GLU B 236 34.975 9.337 -14.204 1.00 0.00 N ATOM 1216 CA GLU B 236 35.287 8.721 -15.489 1.00 0.00 C ATOM 1217 C GLU B 236 34.209 7.714 -15.877 1.00 0.00 C ATOM 1218 O GLU B 236 33.576 7.840 -16.924 1.00 0.00 O ATOM 1219 CB GLU B 236 36.643 8.017 -15.415 1.00 0.00 C ATOM 1220 CG GLU B 236 37.752 9.061 -15.268 1.00 0.00 C ATOM 1221 CD GLU B 236 37.840 9.911 -16.531 1.00 0.00 C ATOM 1222 OE1 GLU B 236 37.387 9.449 -17.565 1.00 0.00 O ATOM 1223 OE2 GLU B 236 38.361 11.011 -16.446 1.00 0.00 O ATOM 0 H GLU B 236 35.684 9.202 -13.484 1.00 0.00 H new ATOM 0 HA GLU B 236 35.325 9.504 -16.246 1.00 0.00 H new ATOM 0 HB2 GLU B 236 36.662 7.329 -14.570 1.00 0.00 H new ATOM 0 HB3 GLU B 236 36.806 7.422 -16.314 1.00 0.00 H new ATOM 0 HG2 GLU B 236 37.552 9.697 -14.405 1.00 0.00 H new ATOM 0 HG3 GLU B 236 38.706 8.567 -15.085 1.00 0.00 H new ATOM 1230 N ALA B 237 34.004 6.716 -15.022 1.00 0.00 N ATOM 1231 CA ALA B 237 33.002 5.691 -15.289 1.00 0.00 C ATOM 1232 C ALA B 237 31.604 6.302 -15.309 1.00 0.00 C ATOM 1233 O ALA B 237 30.708 5.802 -15.987 1.00 0.00 O ATOM 1234 CB ALA B 237 33.069 4.602 -14.216 1.00 0.00 C ATOM 0 H ALA B 237 34.513 6.596 -14.147 1.00 0.00 H new ATOM 0 HA ALA B 237 33.209 5.252 -16.265 1.00 0.00 H new ATOM 0 HB1 ALA B 237 32.317 3.840 -14.423 1.00 0.00 H new ATOM 0 HB2 ALA B 237 34.059 4.146 -14.222 1.00 0.00 H new ATOM 0 HB3 ALA B 237 32.879 5.043 -13.238 1.00 0.00 H new ATOM 1240 N LEU B 238 31.429 7.385 -14.560 1.00 0.00 N ATOM 1241 CA LEU B 238 30.138 8.059 -14.499 1.00 0.00 C ATOM 1242 C LEU B 238 29.824 8.736 -15.830 1.00 0.00 C ATOM 1243 O LEU B 238 28.702 8.651 -16.331 1.00 0.00 O ATOM 1244 CB LEU B 238 30.145 9.105 -13.383 1.00 0.00 C ATOM 1245 CG LEU B 238 28.773 9.777 -13.302 1.00 0.00 C ATOM 1246 CD1 LEU B 238 27.705 8.723 -13.005 1.00 0.00 C ATOM 1247 CD2 LEU B 238 28.784 10.821 -12.183 1.00 0.00 C ATOM 0 H LEU B 238 32.159 7.812 -13.990 1.00 0.00 H new ATOM 0 HA LEU B 238 29.370 7.313 -14.292 1.00 0.00 H new ATOM 0 HB2 LEU B 238 30.387 8.634 -12.430 1.00 0.00 H new ATOM 0 HB3 LEU B 238 30.916 9.851 -13.575 1.00 0.00 H new ATOM 0 HG LEU B 238 28.549 10.263 -14.252 1.00 0.00 H new ATOM 0 HD11 LEU B 238 26.727 9.202 -12.947 1.00 0.00 H new ATOM 0 HD12 LEU B 238 27.698 7.978 -13.801 1.00 0.00 H new ATOM 0 HD13 LEU B 238 27.928 8.237 -12.055 1.00 0.00 H new ATOM 0 HD21 LEU B 238 27.807 11.301 -12.124 1.00 0.00 H new ATOM 0 HD22 LEU B 238 29.007 10.334 -11.234 1.00 0.00 H new ATOM 0 HD23 LEU B 238 29.545 11.572 -12.394 1.00 0.00 H new ATOM 1259 N MET B 239 30.823 9.404 -16.397 1.00 0.00 N ATOM 1260 CA MET B 239 30.641 10.099 -17.666 1.00 0.00 C ATOM 1261 C MET B 239 30.223 9.118 -18.758 1.00 0.00 C ATOM 1262 O MET B 239 29.275 9.370 -19.502 1.00 0.00 O ATOM 1263 CB MET B 239 31.942 10.792 -18.073 1.00 0.00 C ATOM 1264 CG MET B 239 32.118 12.071 -17.252 1.00 0.00 C ATOM 1265 SD MET B 239 33.675 12.873 -17.707 1.00 0.00 S ATOM 1266 CE MET B 239 33.740 14.043 -16.328 1.00 0.00 C ATOM 0 H MET B 239 31.760 9.479 -16.002 1.00 0.00 H new ATOM 0 HA MET B 239 29.856 10.845 -17.541 1.00 0.00 H new ATOM 0 HB2 MET B 239 32.788 10.124 -17.911 1.00 0.00 H new ATOM 0 HB3 MET B 239 31.922 11.030 -19.137 1.00 0.00 H new ATOM 0 HG2 MET B 239 31.283 12.748 -17.431 1.00 0.00 H new ATOM 0 HG3 MET B 239 32.116 11.836 -16.188 1.00 0.00 H new ATOM 0 HE1 MET B 239 34.246 14.954 -16.647 1.00 0.00 H new ATOM 0 HE2 MET B 239 32.727 14.284 -16.007 1.00 0.00 H new ATOM 0 HE3 MET B 239 34.287 13.596 -15.497 1.00 0.00 H new