USER MOD reduce.3.24.130724 H: found=0, std=0, add=282, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 284 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 7 THR OG1 : rot 26:sc= 0.139 USER MOD Single : A 13 GLN : amide:sc= -0.0205 K(o=-0.02,f=-1.6!) USER MOD Single : A 16 LYS NZ :NH3+ -167:sc= -1.56 (180deg=-1.81) USER MOD Single : A 17 ASN : amide:sc= -0.0505 K(o=-0.051,f=-1.9!) USER MOD Single : A 29 LYS NZ :NH3+ -162:sc= -0.0411 (180deg=-0.492) USER MOD Single : A 30 SER OG : rot -73:sc= 0.488 USER MOD Single : A 37 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.149) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 93 N THR A 7 -28.262 0.284 23.550 1.00 0.00 N ATOM 94 CA THR A 7 -27.640 1.288 22.694 1.00 0.00 C ATOM 95 C THR A 7 -27.084 0.629 21.423 1.00 0.00 C ATOM 96 O THR A 7 -26.407 -0.396 21.511 1.00 0.00 O ATOM 97 CB THR A 7 -26.508 1.984 23.456 1.00 0.00 C ATOM 98 OG1 THR A 7 -27.029 2.558 24.648 1.00 0.00 O ATOM 99 CG2 THR A 7 -25.904 3.085 22.586 1.00 0.00 C ATOM 0 HA THR A 7 -28.390 2.025 22.408 1.00 0.00 H new ATOM 0 HB THR A 7 -25.736 1.256 23.705 1.00 0.00 H new ATOM 0 HG1 THR A 7 -27.827 2.063 24.928 1.00 0.00 H new ATOM 0 HG21 THR A 7 -25.099 3.579 23.131 1.00 0.00 H new ATOM 0 HG22 THR A 7 -25.508 2.648 21.669 1.00 0.00 H new ATOM 0 HG23 THR A 7 -26.674 3.815 22.336 1.00 0.00 H new ATOM 107 N ALA A 8 -27.354 1.202 20.240 1.00 0.00 N ATOM 108 CA ALA A 8 -26.839 0.609 19.006 1.00 0.00 C ATOM 109 C ALA A 8 -25.313 0.594 19.040 1.00 0.00 C ATOM 110 O ALA A 8 -24.687 -0.370 18.601 1.00 0.00 O ATOM 111 CB ALA A 8 -27.341 1.362 17.759 1.00 0.00 C ATOM 0 H ALA A 8 -27.909 2.049 20.116 1.00 0.00 H new ATOM 0 HA ALA A 8 -27.211 -0.413 18.941 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -26.937 0.892 16.863 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -28.430 1.328 17.727 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -27.012 2.400 17.804 1.00 0.00 H new ATOM 117 N ASP A 9 -24.717 1.656 19.583 1.00 0.00 N ATOM 118 CA ASP A 9 -23.265 1.725 19.680 1.00 0.00 C ATOM 119 C ASP A 9 -22.752 0.611 20.588 1.00 0.00 C ATOM 120 O ASP A 9 -21.678 0.057 20.352 1.00 0.00 O ATOM 121 CB ASP A 9 -22.801 3.095 20.202 1.00 0.00 C ATOM 122 CG ASP A 9 -23.028 4.160 19.134 1.00 0.00 C ATOM 123 OD1 ASP A 9 -23.276 3.790 17.998 1.00 0.00 O ATOM 124 OD2 ASP A 9 -22.953 5.331 19.468 1.00 0.00 O1- ATOM 0 H ASP A 9 -25.211 2.467 19.956 1.00 0.00 H new ATOM 0 HA ASP A 9 -22.852 1.594 18.680 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -23.349 3.353 21.108 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -21.745 3.054 20.469 1.00 0.00 H new ATOM 129 N ALA A 10 -23.521 0.281 21.631 1.00 0.00 N ATOM 130 CA ALA A 10 -23.102 -0.777 22.552 1.00 0.00 C ATOM 131 C ALA A 10 -22.968 -2.110 21.815 1.00 0.00 C ATOM 132 O ALA A 10 -22.061 -2.893 22.103 1.00 0.00 O ATOM 133 CB ALA A 10 -24.078 -0.922 23.736 1.00 0.00 C ATOM 0 H ALA A 10 -24.415 0.719 21.854 1.00 0.00 H new ATOM 0 HA ALA A 10 -22.129 -0.493 22.953 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -23.733 -1.717 24.397 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -24.121 0.016 24.289 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -25.071 -1.168 23.361 1.00 0.00 H new ATOM 139 N GLU A 11 -23.864 -2.366 20.861 1.00 0.00 N ATOM 140 CA GLU A 11 -23.809 -3.613 20.101 1.00 0.00 C ATOM 141 C GLU A 11 -22.520 -3.689 19.280 1.00 0.00 C ATOM 142 O GLU A 11 -21.932 -4.761 19.141 1.00 0.00 O ATOM 143 CB GLU A 11 -25.036 -3.768 19.185 1.00 0.00 C ATOM 144 CG GLU A 11 -26.282 -4.049 20.032 1.00 0.00 C ATOM 145 CD GLU A 11 -27.526 -4.019 19.151 1.00 0.00 C ATOM 146 OE1 GLU A 11 -27.421 -3.558 18.026 1.00 0.00 O ATOM 147 OE2 GLU A 11 -28.567 -4.456 19.615 1.00 0.00 O1- ATOM 0 H GLU A 11 -24.624 -1.738 20.600 1.00 0.00 H new ATOM 0 HA GLU A 11 -23.818 -4.435 20.817 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -25.181 -2.861 18.598 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -24.874 -4.582 18.479 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -26.192 -5.022 20.516 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -26.369 -3.306 20.824 1.00 0.00 H new ATOM 154 N LEU A 12 -22.081 -2.549 18.744 1.00 0.00 N ATOM 155 CA LEU A 12 -20.856 -2.515 17.946 1.00 0.00 C ATOM 156 C LEU A 12 -19.643 -2.861 18.810 1.00 0.00 C ATOM 157 O LEU A 12 -18.687 -3.473 18.333 1.00 0.00 O ATOM 158 CB LEU A 12 -20.656 -1.137 17.286 1.00 0.00 C ATOM 159 CG LEU A 12 -21.703 -0.914 16.179 1.00 0.00 C ATOM 160 CD1 LEU A 12 -21.625 0.543 15.710 1.00 0.00 C ATOM 161 CD2 LEU A 12 -21.441 -1.858 14.985 1.00 0.00 C ATOM 0 H LEU A 12 -22.549 -1.648 18.846 1.00 0.00 H new ATOM 0 HA LEU A 12 -20.955 -3.260 17.157 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -20.739 -0.352 18.037 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -19.653 -1.071 16.865 1.00 0.00 H new ATOM 0 HG LEU A 12 -22.695 -1.128 16.576 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -22.362 0.713 14.926 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -21.829 1.207 16.550 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -20.628 0.747 15.321 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -22.191 -1.685 14.213 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -20.449 -1.662 14.577 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -21.497 -2.893 15.321 1.00 0.00 H new ATOM 173 N GLN A 13 -19.684 -2.463 20.079 1.00 0.00 N ATOM 174 CA GLN A 13 -18.576 -2.738 20.991 1.00 0.00 C ATOM 175 C GLN A 13 -18.379 -4.243 21.180 1.00 0.00 C ATOM 176 O GLN A 13 -17.249 -4.708 21.332 1.00 0.00 O ATOM 177 CB GLN A 13 -18.795 -2.059 22.355 1.00 0.00 C ATOM 178 CG GLN A 13 -18.631 -0.541 22.212 1.00 0.00 C ATOM 179 CD GLN A 13 -19.048 0.151 23.506 1.00 0.00 C ATOM 180 OE1 GLN A 13 -19.905 -0.352 24.231 1.00 0.00 O ATOM 181 NE2 GLN A 13 -18.487 1.281 23.839 1.00 0.00 N ATOM 0 H GLN A 13 -20.463 -1.954 20.496 1.00 0.00 H new ATOM 0 HA GLN A 13 -17.674 -2.324 20.540 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -19.791 -2.292 22.732 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -18.080 -2.444 23.082 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -17.594 -0.299 21.978 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -19.238 -0.177 21.383 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -17.777 1.695 23.235 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -18.759 1.750 24.703 1.00 0.00 H new ATOM 190 N ARG A 14 -19.474 -5.000 21.181 1.00 0.00 N ATOM 191 CA ARG A 14 -19.376 -6.448 21.366 1.00 0.00 C ATOM 192 C ARG A 14 -18.526 -7.086 20.264 1.00 0.00 C ATOM 193 O ARG A 14 -17.749 -8.002 20.534 1.00 0.00 O ATOM 194 CB ARG A 14 -20.773 -7.100 21.415 1.00 0.00 C ATOM 195 CG ARG A 14 -20.626 -8.605 21.661 1.00 0.00 C ATOM 196 CD ARG A 14 -22.009 -9.237 21.808 1.00 0.00 C ATOM 197 NE ARG A 14 -21.887 -10.674 22.018 1.00 0.00 N ATOM 198 CZ ARG A 14 -22.959 -11.437 22.207 1.00 0.00 C ATOM 199 NH1 ARG A 14 -22.820 -12.722 22.395 1.00 0.00 N1+ ATOM 200 NH2 ARG A 14 -24.149 -10.902 22.207 1.00 0.00 N ATOM 0 H ARG A 14 -20.422 -4.645 21.058 1.00 0.00 H new ATOM 0 HA ARG A 14 -18.885 -6.625 22.323 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -21.370 -6.648 22.207 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -21.301 -6.924 20.478 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -20.089 -9.068 20.833 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -20.037 -8.781 22.561 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -22.537 -8.783 22.647 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -22.603 -9.042 20.915 1.00 0.00 H new ATOM 0 HE ARG A 14 -20.961 -11.102 22.020 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -21.889 -13.139 22.397 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -23.642 -13.308 22.540 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -24.257 -9.898 22.062 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -24.971 -11.488 22.352 1.00 0.00 H new ATOM 214 N LEU A 15 -18.664 -6.609 19.025 1.00 0.00 N ATOM 215 CA LEU A 15 -17.878 -7.169 17.926 1.00 0.00 C ATOM 216 C LEU A 15 -16.386 -6.933 18.161 1.00 0.00 C ATOM 217 O LEU A 15 -15.561 -7.795 17.859 1.00 0.00 O ATOM 218 CB LEU A 15 -18.301 -6.579 16.565 1.00 0.00 C ATOM 219 CG LEU A 15 -19.658 -7.158 16.120 1.00 0.00 C ATOM 220 CD1 LEU A 15 -19.535 -8.664 15.806 1.00 0.00 C ATOM 221 CD2 LEU A 15 -20.700 -6.941 17.225 1.00 0.00 C ATOM 0 H LEU A 15 -19.297 -5.854 18.762 1.00 0.00 H new ATOM 0 HA LEU A 15 -18.070 -8.242 17.899 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -18.369 -5.494 16.639 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.542 -6.800 15.815 1.00 0.00 H new ATOM 0 HG LEU A 15 -19.974 -6.642 15.214 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -20.505 -9.051 15.494 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -18.811 -8.811 15.004 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -19.202 -9.196 16.697 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -21.658 -7.352 16.907 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -20.374 -7.443 18.136 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -20.809 -5.874 17.418 1.00 0.00 H new ATOM 233 N LYS A 16 -16.038 -5.764 18.704 1.00 0.00 N ATOM 234 CA LYS A 16 -14.636 -5.451 18.970 1.00 0.00 C ATOM 235 C LYS A 16 -14.108 -6.317 20.110 1.00 0.00 C ATOM 236 O LYS A 16 -12.902 -6.545 20.220 1.00 0.00 O ATOM 237 CB LYS A 16 -14.472 -3.967 19.330 1.00 0.00 C ATOM 238 CG LYS A 16 -14.770 -3.106 18.095 1.00 0.00 C ATOM 239 CD LYS A 16 -14.375 -1.643 18.346 1.00 0.00 C ATOM 240 CE LYS A 16 -15.355 -0.972 19.317 1.00 0.00 C ATOM 241 NZ LYS A 16 -16.733 -1.038 18.754 1.00 0.00 N1+ ATOM 0 H LYS A 16 -16.697 -5.030 18.964 1.00 0.00 H new ATOM 0 HA LYS A 16 -14.063 -5.660 18.066 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -15.148 -3.702 20.143 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -13.458 -3.777 19.683 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -14.224 -3.493 17.235 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -15.831 -3.165 17.852 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.365 -1.599 18.754 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -14.361 -1.098 17.402 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -15.322 -1.470 20.286 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -15.067 0.066 19.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -17.358 -0.402 19.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -16.715 -0.746 17.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -17.090 -2.012 18.823 1.00 0.00 H new ATOM 255 N ASN A 17 -15.018 -6.799 20.957 1.00 0.00 N ATOM 256 CA ASN A 17 -14.638 -7.644 22.093 1.00 0.00 C ATOM 257 C ASN A 17 -14.839 -9.118 21.752 1.00 0.00 C ATOM 258 O ASN A 17 -14.739 -9.984 22.620 1.00 0.00 O ATOM 259 CB ASN A 17 -15.481 -7.290 23.322 1.00 0.00 C ATOM 260 CG ASN A 17 -15.093 -5.909 23.840 1.00 0.00 C ATOM 261 OD1 ASN A 17 -14.001 -5.420 23.547 1.00 0.00 O ATOM 262 ND2 ASN A 17 -15.926 -5.248 24.597 1.00 0.00 N ATOM 0 H ASN A 17 -16.019 -6.621 20.880 1.00 0.00 H new ATOM 0 HA ASN A 17 -13.585 -7.467 22.312 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -16.540 -7.306 23.064 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -15.332 -8.036 24.103 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -15.673 -4.324 24.948 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -16.830 -5.655 24.838 1.00 0.00 H new ATOM 269 N GLU A 18 -15.119 -9.393 20.483 1.00 0.00 N ATOM 270 CA GLU A 18 -15.331 -10.771 20.040 1.00 0.00 C ATOM 271 C GLU A 18 -14.061 -11.599 20.248 1.00 0.00 C ATOM 272 O GLU A 18 -14.136 -12.772 20.614 1.00 0.00 O ATOM 273 CB GLU A 18 -15.775 -10.822 18.566 1.00 0.00 C ATOM 274 CG GLU A 18 -16.046 -12.274 18.163 1.00 0.00 C ATOM 275 CD GLU A 18 -16.554 -12.330 16.727 1.00 0.00 C ATOM 276 OE1 GLU A 18 -16.673 -11.279 16.120 1.00 0.00 O ATOM 277 OE2 GLU A 18 -16.817 -13.423 16.254 1.00 0.00 O1- ATOM 0 H GLU A 18 -15.204 -8.691 19.748 1.00 0.00 H new ATOM 0 HA GLU A 18 -16.131 -11.200 20.644 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -16.673 -10.221 18.425 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.002 -10.395 17.927 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -15.134 -12.863 18.258 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -16.782 -12.715 18.835 1.00 0.00 H new ATOM 284 N ALA A 19 -12.899 -10.991 20.012 1.00 0.00 N ATOM 285 CA ALA A 19 -11.632 -11.704 20.183 1.00 0.00 C ATOM 286 C ALA A 19 -11.452 -12.139 21.635 1.00 0.00 C ATOM 287 O ALA A 19 -10.744 -13.107 21.916 1.00 0.00 O ATOM 288 CB ALA A 19 -10.445 -10.828 19.752 1.00 0.00 C ATOM 0 H ALA A 19 -12.807 -10.022 19.707 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.660 -12.589 19.548 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -9.516 -11.381 19.889 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.555 -10.558 18.702 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.421 -9.923 20.359 1.00 0.00 H new ATOM 294 N ALA A 20 -12.092 -11.421 22.555 1.00 0.00 N ATOM 295 CA ALA A 20 -11.984 -11.756 23.975 1.00 0.00 C ATOM 296 C ALA A 20 -12.546 -13.152 24.238 1.00 0.00 C ATOM 297 O ALA A 20 -12.148 -13.818 25.194 1.00 0.00 O ATOM 298 CB ALA A 20 -12.723 -10.728 24.846 1.00 0.00 C ATOM 0 H ALA A 20 -12.683 -10.615 22.349 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.927 -11.738 24.240 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.625 -11.003 25.896 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.291 -9.740 24.688 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.778 -10.711 24.572 1.00 0.00 H new ATOM 304 N GLU A 21 -13.471 -13.590 23.387 1.00 0.00 N ATOM 305 CA GLU A 21 -14.071 -14.912 23.546 1.00 0.00 C ATOM 306 C GLU A 21 -13.012 -16.006 23.407 1.00 0.00 C ATOM 307 O GLU A 21 -13.073 -17.024 24.093 1.00 0.00 O ATOM 308 CB GLU A 21 -15.201 -15.130 22.525 1.00 0.00 C ATOM 309 CG GLU A 21 -16.388 -14.236 22.884 1.00 0.00 C ATOM 310 CD GLU A 21 -17.448 -14.315 21.791 1.00 0.00 C ATOM 311 OE1 GLU A 21 -17.148 -14.854 20.740 1.00 0.00 O ATOM 312 OE2 GLU A 21 -18.547 -13.835 22.023 1.00 0.00 O1- ATOM 0 H GLU A 21 -13.818 -13.057 22.590 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.499 -14.968 24.547 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.848 -14.899 21.520 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -15.507 -16.176 22.522 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.813 -14.548 23.838 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -16.054 -13.205 23.005 1.00 0.00 H new ATOM 319 N GLU A 22 -12.044 -15.793 22.515 1.00 0.00 N ATOM 320 CA GLU A 22 -10.983 -16.775 22.300 1.00 0.00 C ATOM 321 C GLU A 22 -10.123 -16.927 23.552 1.00 0.00 C ATOM 322 O GLU A 22 -9.437 -17.935 23.729 1.00 0.00 O ATOM 323 CB GLU A 22 -10.094 -16.352 21.124 1.00 0.00 C ATOM 324 CG GLU A 22 -10.890 -16.453 19.821 1.00 0.00 C ATOM 325 CD GLU A 22 -10.058 -15.920 18.660 1.00 0.00 C ATOM 326 OE1 GLU A 22 -9.015 -15.342 18.920 1.00 0.00 O ATOM 327 OE2 GLU A 22 -10.474 -16.098 17.528 1.00 0.00 O1- ATOM 0 H GLU A 22 -11.973 -14.957 21.935 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.454 -17.732 22.074 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.742 -15.331 21.269 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.211 -16.989 21.074 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.168 -17.490 19.634 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.817 -15.885 19.906 1.00 0.00 H new ATOM 334 N ALA A 23 -10.155 -15.915 24.412 1.00 0.00 N ATOM 335 CA ALA A 23 -9.362 -15.940 25.643 1.00 0.00 C ATOM 336 C ALA A 23 -9.760 -17.120 26.527 1.00 0.00 C ATOM 337 O ALA A 23 -8.999 -17.530 27.402 1.00 0.00 O ATOM 338 CB ALA A 23 -9.535 -14.634 26.431 1.00 0.00 C ATOM 0 H ALA A 23 -10.715 -15.072 24.285 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.316 -16.049 25.355 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.937 -14.676 27.341 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.207 -13.794 25.819 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.585 -14.503 26.693 1.00 0.00 H new ATOM 344 N GLU A 24 -10.954 -17.659 26.303 1.00 0.00 N ATOM 345 CA GLU A 24 -11.424 -18.788 27.103 1.00 0.00 C ATOM 346 C GLU A 24 -10.468 -19.970 26.966 1.00 0.00 C ATOM 347 O GLU A 24 -10.447 -20.864 27.810 1.00 0.00 O ATOM 348 CB GLU A 24 -12.832 -19.209 26.659 1.00 0.00 C ATOM 349 CG GLU A 24 -12.778 -19.816 25.253 1.00 0.00 C ATOM 350 CD GLU A 24 -14.194 -20.027 24.724 1.00 0.00 C ATOM 351 OE1 GLU A 24 -15.126 -19.691 25.435 1.00 0.00 O ATOM 352 OE2 GLU A 24 -14.323 -20.523 23.618 1.00 0.00 O1- ATOM 0 H GLU A 24 -11.606 -17.340 25.586 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.459 -18.477 28.147 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.242 -19.934 27.362 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.498 -18.346 26.666 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.225 -19.157 24.584 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.244 -20.766 25.278 1.00 0.00 H new ATOM 359 N LEU A 25 -9.678 -19.963 25.898 1.00 0.00 N ATOM 360 CA LEU A 25 -8.719 -21.038 25.661 1.00 0.00 C ATOM 361 C LEU A 25 -7.626 -21.017 26.728 1.00 0.00 C ATOM 362 O LEU A 25 -7.038 -22.050 27.047 1.00 0.00 O ATOM 363 CB LEU A 25 -8.085 -20.903 24.268 1.00 0.00 C ATOM 364 CG LEU A 25 -9.148 -21.117 23.180 1.00 0.00 C ATOM 365 CD1 LEU A 25 -8.535 -20.791 21.813 1.00 0.00 C ATOM 366 CD2 LEU A 25 -9.648 -22.578 23.191 1.00 0.00 C ATOM 0 H LEU A 25 -9.681 -19.232 25.187 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.253 -21.987 25.713 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.636 -19.916 24.159 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.284 -21.633 24.153 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.996 -20.461 23.375 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -9.283 -20.940 21.034 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.201 -19.753 21.802 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.684 -21.447 21.630 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.400 -22.711 22.414 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.811 -23.251 23.004 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.086 -22.805 24.163 1.00 0.00 H new ATOM 378 N GLU A 26 -7.358 -19.832 27.275 1.00 0.00 N ATOM 379 CA GLU A 26 -6.330 -19.696 28.306 1.00 0.00 C ATOM 380 C GLU A 26 -6.689 -20.525 29.540 1.00 0.00 C ATOM 381 O GLU A 26 -5.813 -21.115 30.170 1.00 0.00 O ATOM 382 CB GLU A 26 -6.118 -18.217 28.690 1.00 0.00 C ATOM 383 CG GLU A 26 -4.990 -18.113 29.723 1.00 0.00 C ATOM 384 CD GLU A 26 -4.724 -16.649 30.056 1.00 0.00 C ATOM 385 OE1 GLU A 26 -5.398 -15.802 29.492 1.00 0.00 O ATOM 386 OE2 GLU A 26 -3.851 -16.396 30.868 1.00 0.00 O1- ATOM 0 H GLU A 26 -7.831 -18.963 27.026 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.394 -20.075 27.896 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.869 -17.632 27.804 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.039 -17.801 29.098 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.262 -18.657 30.627 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.084 -18.577 29.333 1.00 0.00 H new ATOM 393 N ARG A 27 -7.973 -20.568 29.888 1.00 0.00 N ATOM 394 CA ARG A 27 -8.404 -21.333 31.054 1.00 0.00 C ATOM 395 C ARG A 27 -8.101 -22.821 30.866 1.00 0.00 C ATOM 396 O ARG A 27 -7.733 -23.507 31.819 1.00 0.00 O ATOM 397 CB ARG A 27 -9.902 -21.124 31.329 1.00 0.00 C ATOM 398 CG ARG A 27 -10.130 -19.694 31.823 1.00 0.00 C ATOM 399 CD ARG A 27 -11.621 -19.475 32.083 1.00 0.00 C ATOM 400 NE ARG A 27 -11.855 -18.117 32.563 1.00 0.00 N ATOM 401 CZ ARG A 27 -13.079 -17.697 32.865 1.00 0.00 C ATOM 402 NH1 ARG A 27 -13.264 -16.478 33.294 1.00 0.00 N1+ ATOM 403 NH2 ARG A 27 -14.097 -18.503 32.734 1.00 0.00 N ATOM 0 H ARG A 27 -8.722 -20.090 29.388 1.00 0.00 H new ATOM 0 HA ARG A 27 -7.845 -20.970 31.917 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.479 -21.304 30.422 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -10.250 -21.839 32.075 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -9.561 -19.519 32.736 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -9.771 -18.980 31.082 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -12.186 -19.647 31.167 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -11.979 -20.195 32.819 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.066 -17.479 32.668 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -12.469 -15.848 33.397 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -14.204 -16.156 33.526 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -13.953 -19.456 32.400 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -15.036 -18.180 32.966 1.00 0.00 H new ATOM 417 N LEU A 28 -8.255 -23.319 29.638 1.00 0.00 N ATOM 418 CA LEU A 28 -7.989 -24.728 29.359 1.00 0.00 C ATOM 419 C LEU A 28 -6.492 -24.964 29.174 1.00 0.00 C ATOM 420 O LEU A 28 -6.025 -26.099 29.209 1.00 0.00 O ATOM 421 CB LEU A 28 -8.731 -25.165 28.090 1.00 0.00 C ATOM 422 CG LEU A 28 -10.241 -24.964 28.265 1.00 0.00 C ATOM 423 CD1 LEU A 28 -10.949 -25.330 26.957 1.00 0.00 C ATOM 424 CD2 LEU A 28 -10.768 -25.853 29.407 1.00 0.00 C ATOM 0 H LEU A 28 -8.559 -22.774 28.831 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.341 -25.316 30.207 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.376 -24.588 27.236 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.518 -26.213 27.878 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.439 -23.922 28.514 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.024 -25.190 27.073 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.584 -24.689 26.154 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.744 -26.372 26.711 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.841 -25.701 29.521 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.573 -26.900 29.173 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.263 -25.589 30.336 1.00 0.00 H new ATOM 436 N LYS A 29 -5.747 -23.883 28.977 1.00 0.00 N ATOM 437 CA LYS A 29 -4.300 -23.989 28.787 1.00 0.00 C ATOM 438 C LYS A 29 -3.633 -24.577 30.034 1.00 0.00 C ATOM 439 O LYS A 29 -2.673 -25.340 29.929 1.00 0.00 O ATOM 440 CB LYS A 29 -3.679 -22.624 28.435 1.00 0.00 C ATOM 441 CG LYS A 29 -2.181 -22.794 28.170 1.00 0.00 C ATOM 442 CD LYS A 29 -1.578 -21.448 27.767 1.00 0.00 C ATOM 443 CE LYS A 29 -0.091 -21.625 27.462 1.00 0.00 C ATOM 444 NZ LYS A 29 0.619 -22.067 28.697 1.00 0.00 N1+ ATOM 0 H LYS A 29 -6.113 -22.931 28.944 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.124 -24.663 27.948 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.169 -22.206 27.556 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.836 -21.920 29.252 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.684 -23.175 29.062 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.022 -23.527 27.379 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.095 -21.054 26.892 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.711 -20.723 28.570 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.044 -22.360 26.669 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.332 -20.687 27.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.640 -21.898 28.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.263 -21.530 29.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.451 -23.082 28.850 1.00 0.00 H new ATOM 458 N SER A 30 -4.137 -24.210 31.213 1.00 0.00 N ATOM 459 CA SER A 30 -3.568 -24.702 32.465 1.00 0.00 C ATOM 460 C SER A 30 -3.691 -26.222 32.571 1.00 0.00 C ATOM 461 O SER A 30 -2.959 -26.858 33.329 1.00 0.00 O ATOM 462 CB SER A 30 -4.280 -24.053 33.654 1.00 0.00 C ATOM 463 OG SER A 30 -5.647 -24.438 33.651 1.00 0.00 O ATOM 0 H SER A 30 -4.931 -23.579 31.326 1.00 0.00 H new ATOM 0 HA SER A 30 -2.510 -24.438 32.477 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.806 -24.359 34.587 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.196 -22.968 33.595 1.00 0.00 H new ATOM 0 HG SER A 30 -6.117 -23.970 32.930 1.00 0.00 H new ATOM 469 N GLU A 31 -4.617 -26.799 31.812 1.00 0.00 N ATOM 470 CA GLU A 31 -4.816 -28.245 31.844 1.00 0.00 C ATOM 471 C GLU A 31 -3.570 -28.966 31.335 1.00 0.00 C ATOM 472 O GLU A 31 -3.357 -30.141 31.631 1.00 0.00 O ATOM 473 CB GLU A 31 -6.019 -28.640 30.982 1.00 0.00 C ATOM 474 CG GLU A 31 -7.287 -27.997 31.551 1.00 0.00 C ATOM 475 CD GLU A 31 -7.612 -28.599 32.914 1.00 0.00 C ATOM 476 OE1 GLU A 31 -7.118 -29.678 33.195 1.00 0.00 O ATOM 477 OE2 GLU A 31 -8.350 -27.972 33.655 1.00 0.00 O1- ATOM 0 H GLU A 31 -5.235 -26.296 31.175 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.004 -28.538 32.877 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.865 -28.316 29.953 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.126 -29.725 30.962 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.148 -26.920 31.644 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.122 -28.153 30.867 1.00 0.00 H new ATOM 566 N LYS A 37 6.314 -23.417 26.433 1.00 0.00 N ATOM 567 CA LYS A 37 6.339 -22.930 25.057 1.00 0.00 C ATOM 568 C LYS A 37 6.513 -21.411 25.034 1.00 0.00 C ATOM 569 O LYS A 37 7.205 -20.876 24.165 1.00 0.00 O ATOM 570 CB LYS A 37 5.061 -23.348 24.297 1.00 0.00 C ATOM 571 CG LYS A 37 5.077 -22.796 22.861 1.00 0.00 C ATOM 572 CD LYS A 37 6.298 -23.327 22.098 1.00 0.00 C ATOM 573 CE LYS A 37 6.061 -23.198 20.590 1.00 0.00 C ATOM 574 NZ LYS A 37 5.878 -21.762 20.237 1.00 0.00 N1+ ATOM 0 HA LYS A 37 7.190 -23.383 24.550 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.985 -24.435 24.273 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.181 -22.979 24.824 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.162 -23.085 22.343 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.100 -21.706 22.884 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.189 -22.769 22.385 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.477 -24.370 22.360 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.906 -23.614 20.041 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.180 -23.770 20.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.887 -21.655 19.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.968 -21.425 20.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.651 -21.202 20.649 1.00 0.00 H new ATOM 588 N LYS A 38 5.885 -20.717 25.983 1.00 0.00 N ATOM 589 CA LYS A 38 5.991 -19.262 26.037 1.00 0.00 C ATOM 590 C LYS A 38 7.443 -18.836 26.257 1.00 0.00 C ATOM 591 O LYS A 38 7.893 -17.838 25.693 1.00 0.00 O ATOM 592 CB LYS A 38 5.092 -18.680 27.144 1.00 0.00 C ATOM 593 CG LYS A 38 3.619 -18.836 26.740 1.00 0.00 C ATOM 594 CD LYS A 38 2.711 -18.078 27.717 1.00 0.00 C ATOM 595 CE LYS A 38 2.650 -18.804 29.066 1.00 0.00 C ATOM 596 NZ LYS A 38 1.618 -18.155 29.926 1.00 0.00 N1+ ATOM 0 H LYS A 38 5.307 -21.132 26.713 1.00 0.00 H new ATOM 0 HA LYS A 38 5.651 -18.867 25.080 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.278 -19.194 28.087 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.327 -17.628 27.303 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.471 -18.458 25.729 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.349 -19.892 26.728 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.086 -17.064 27.859 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.708 -17.991 27.298 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.406 -19.856 28.916 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.623 -18.769 29.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.573 -18.644 30.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.870 -17.157 30.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.691 -18.211 29.458 1.00 0.00 H new ATOM 610 N GLU A 39 8.180 -19.594 27.069 1.00 0.00 N ATOM 611 CA GLU A 39 9.578 -19.265 27.331 1.00 0.00 C ATOM 612 C GLU A 39 10.396 -19.357 26.042 1.00 0.00 C ATOM 613 O GLU A 39 11.313 -18.567 25.825 1.00 0.00 O ATOM 614 CB GLU A 39 10.172 -20.187 28.408 1.00 0.00 C ATOM 615 CG GLU A 39 9.547 -19.850 29.764 1.00 0.00 C ATOM 616 CD GLU A 39 10.001 -20.859 30.813 1.00 0.00 C ATOM 617 OE1 GLU A 39 10.575 -21.865 30.430 1.00 0.00 O ATOM 618 OE2 GLU A 39 9.769 -20.611 31.985 1.00 0.00 O1- ATOM 0 H GLU A 39 7.838 -20.427 27.549 1.00 0.00 H new ATOM 0 HA GLU A 39 9.620 -18.241 27.703 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.981 -21.230 28.156 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.254 -20.063 28.453 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.836 -18.844 30.067 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.460 -19.859 29.685 1.00 0.00 H new ATOM 625 N ALA A 40 10.062 -20.329 25.190 1.00 0.00 N ATOM 626 CA ALA A 40 10.775 -20.510 23.925 1.00 0.00 C ATOM 627 C ALA A 40 10.257 -19.538 22.866 1.00 0.00 C ATOM 628 O ALA A 40 10.883 -19.352 21.823 1.00 0.00 O ATOM 629 CB ALA A 40 10.616 -21.948 23.417 1.00 0.00 C ATOM 0 H ALA A 40 9.309 -20.997 25.352 1.00 0.00 H new ATOM 0 HA ALA A 40 11.831 -20.308 24.107 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.153 -22.063 22.476 1.00 0.00 H new ATOM 0 HB2 ALA A 40 11.023 -22.641 24.154 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.559 -22.164 23.260 1.00 0.00 H new ATOM 635 N GLU A 41 9.103 -18.939 23.132 1.00 0.00 N ATOM 636 CA GLU A 41 8.498 -18.003 22.182 1.00 0.00 C ATOM 637 C GLU A 41 9.417 -16.809 21.911 1.00 0.00 C ATOM 638 O GLU A 41 9.480 -16.319 20.783 1.00 0.00 O ATOM 639 CB GLU A 41 7.123 -17.518 22.682 1.00 0.00 C ATOM 640 CG GLU A 41 6.489 -16.599 21.633 1.00 0.00 C ATOM 641 CD GLU A 41 5.094 -16.180 22.082 1.00 0.00 C ATOM 642 OE1 GLU A 41 4.686 -16.601 23.152 1.00 0.00 O ATOM 643 OE2 GLU A 41 4.454 -15.443 21.351 1.00 0.00 O1- ATOM 0 H GLU A 41 8.568 -19.080 23.989 1.00 0.00 H new ATOM 0 HA GLU A 41 8.355 -18.540 21.244 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.473 -18.372 22.873 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.235 -16.985 23.626 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.113 -15.717 21.485 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.432 -17.113 20.674 1.00 0.00 H new ATOM 650 N ARG A 42 10.122 -16.329 22.936 1.00 0.00 N ATOM 651 CA ARG A 42 11.011 -15.182 22.754 1.00 0.00 C ATOM 652 C ARG A 42 12.088 -15.493 21.711 1.00 0.00 C ATOM 653 O ARG A 42 12.638 -14.588 21.082 1.00 0.00 O ATOM 654 CB ARG A 42 11.677 -14.807 24.084 1.00 0.00 C ATOM 655 CG ARG A 42 12.654 -15.908 24.506 1.00 0.00 C ATOM 656 CD ARG A 42 13.136 -15.639 25.933 1.00 0.00 C ATOM 657 NE ARG A 42 14.064 -16.682 26.358 1.00 0.00 N ATOM 658 CZ ARG A 42 15.357 -16.624 26.052 1.00 0.00 C ATOM 659 NH1 ARG A 42 16.165 -17.570 26.446 1.00 0.00 N1+ ATOM 660 NH2 ARG A 42 15.818 -15.620 25.356 1.00 0.00 N ATOM 0 H ARG A 42 10.097 -16.708 23.883 1.00 0.00 H new ATOM 0 HA ARG A 42 10.412 -14.342 22.403 1.00 0.00 H new ATOM 0 HB2 ARG A 42 12.206 -13.859 23.982 1.00 0.00 H new ATOM 0 HB3 ARG A 42 10.918 -14.667 24.854 1.00 0.00 H new ATOM 0 HG2 ARG A 42 12.167 -16.882 24.452 1.00 0.00 H new ATOM 0 HG3 ARG A 42 13.503 -15.938 23.823 1.00 0.00 H new ATOM 0 HD2 ARG A 42 13.624 -14.666 25.982 1.00 0.00 H new ATOM 0 HD3 ARG A 42 12.284 -15.602 26.611 1.00 0.00 H new ATOM 0 HE ARG A 42 13.714 -17.471 26.901 1.00 0.00 H new ATOM 0 HH11 ARG A 42 15.805 -18.355 26.989 1.00 0.00 H new ATOM 0 HH12 ARG A 42 17.156 -17.525 26.211 1.00 0.00 H new ATOM 0 HH21 ARG A 42 15.187 -14.881 25.047 1.00 0.00 H new ATOM 0 HH22 ARG A 42 16.810 -15.575 25.121 1.00 0.00 H new ATOM 674 N LYS A 43 12.388 -16.778 21.543 1.00 0.00 N ATOM 675 CA LYS A 43 13.409 -17.211 20.581 1.00 0.00 C ATOM 676 C LYS A 43 13.025 -16.852 19.142 1.00 0.00 C ATOM 677 O LYS A 43 13.892 -16.524 18.332 1.00 0.00 O ATOM 678 CB LYS A 43 13.676 -18.722 20.693 1.00 0.00 C ATOM 679 CG LYS A 43 14.791 -19.106 19.716 1.00 0.00 C ATOM 680 CD LYS A 43 15.275 -20.537 19.989 1.00 0.00 C ATOM 681 CE LYS A 43 14.209 -21.551 19.560 1.00 0.00 C ATOM 682 NZ LYS A 43 14.771 -22.928 19.657 1.00 0.00 N1+ ATOM 0 H LYS A 43 11.943 -17.539 22.056 1.00 0.00 H new ATOM 0 HA LYS A 43 14.324 -16.674 20.831 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.964 -18.979 21.712 1.00 0.00 H new ATOM 0 HB3 LYS A 43 12.769 -19.282 20.467 1.00 0.00 H new ATOM 0 HG2 LYS A 43 14.428 -19.028 18.691 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.624 -18.409 19.813 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.203 -20.724 19.448 1.00 0.00 H new ATOM 0 HD3 LYS A 43 15.495 -20.657 21.050 1.00 0.00 H new ATOM 0 HE2 LYS A 43 13.328 -21.460 20.195 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.888 -21.348 18.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.050 -23.619 19.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 15.599 -23.010 19.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 15.057 -23.118 20.639 1.00 0.00 H new ATOM 696 N ALA A 44 11.736 -16.937 18.817 1.00 0.00 N ATOM 697 CA ALA A 44 11.280 -16.640 17.455 1.00 0.00 C ATOM 698 C ALA A 44 11.651 -15.215 17.052 1.00 0.00 C ATOM 699 O ALA A 44 11.715 -14.894 15.866 1.00 0.00 O ATOM 700 CB ALA A 44 9.762 -16.824 17.335 1.00 0.00 C ATOM 0 H ALA A 44 10.996 -17.205 19.466 1.00 0.00 H new ATOM 0 HA ALA A 44 11.779 -17.339 16.784 1.00 0.00 H new ATOM 0 HB1 ALA A 44 9.448 -16.598 16.316 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.500 -17.854 17.575 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.258 -16.150 18.028 1.00 0.00 H new ATOM 706 N LEU A 45 11.897 -14.365 18.041 1.00 0.00 N ATOM 707 CA LEU A 45 12.262 -12.979 17.769 1.00 0.00 C ATOM 708 C LEU A 45 13.611 -12.920 17.054 1.00 0.00 C ATOM 709 O LEU A 45 13.875 -11.996 16.286 1.00 0.00 O ATOM 710 CB LEU A 45 12.326 -12.167 19.071 1.00 0.00 C ATOM 711 CG LEU A 45 10.924 -12.048 19.689 1.00 0.00 C ATOM 712 CD1 LEU A 45 11.042 -11.411 21.077 1.00 0.00 C ATOM 713 CD2 LEU A 45 10.010 -11.182 18.795 1.00 0.00 C ATOM 0 H LEU A 45 11.851 -14.607 19.031 1.00 0.00 H new ATOM 0 HA LEU A 45 11.496 -12.545 17.126 1.00 0.00 H new ATOM 0 HB2 LEU A 45 13.003 -12.649 19.776 1.00 0.00 H new ATOM 0 HB3 LEU A 45 12.729 -11.174 18.870 1.00 0.00 H new ATOM 0 HG LEU A 45 10.485 -13.042 19.772 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.051 -11.323 21.522 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.671 -12.035 21.712 1.00 0.00 H new ATOM 0 HD13 LEU A 45 11.488 -10.421 20.986 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.021 -11.109 19.248 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.438 -10.185 18.695 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.924 -11.641 17.810 1.00 0.00 H new ATOM 725 N GLU A 46 14.459 -13.914 17.311 1.00 0.00 N ATOM 726 CA GLU A 46 15.777 -13.958 16.679 1.00 0.00 C ATOM 727 C GLU A 46 15.624 -14.060 15.158 1.00 0.00 C ATOM 728 O GLU A 46 16.390 -13.453 14.410 1.00 0.00 O ATOM 729 CB GLU A 46 16.616 -15.135 17.227 1.00 0.00 C ATOM 730 CG GLU A 46 18.012 -15.129 16.594 1.00 0.00 C ATOM 731 CD GLU A 46 18.767 -13.868 17.000 1.00 0.00 C ATOM 732 OE1 GLU A 46 18.374 -13.255 17.979 1.00 0.00 O ATOM 733 OE2 GLU A 46 19.728 -13.535 16.328 1.00 0.00 O1- ATOM 0 H GLU A 46 14.262 -14.690 17.943 1.00 0.00 H new ATOM 0 HA GLU A 46 16.307 -13.036 16.917 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.700 -15.058 18.311 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.115 -16.079 17.012 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.567 -16.012 16.911 1.00 0.00 H new ATOM 0 HG3 GLU A 46 17.928 -15.178 15.508 1.00 0.00 H new