USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 423 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 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -2.05! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HE2:sc= -0.203 X(o=-0.2,f=-0.46) USER MOD Single : A 36 SER OG : rot -48:sc= 0.957 USER MOD Single : A 37 GLN : amide:sc= -0.154 K(o=-0.15,f=-3.9!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.62) USER MOD Single : A 52 MET CE :methyl 161:sc= -0.0224 (180deg=-0.453) USER MOD Single : A 54 GLN : amide:sc= -1.13 K(o=-1.1,f=-3) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -150:sc= -0.0131 (180deg=-0.114) USER MOD ----------------------------------------------------------------- ATOM 109 N VAL A 8 10.454 -2.630 5.957 1.00 0.00 N ATOM 110 CA VAL A 8 8.995 -2.545 6.234 1.00 0.00 C ATOM 111 C VAL A 8 8.585 -1.075 6.150 1.00 0.00 C ATOM 112 O VAL A 8 9.265 -0.205 6.655 1.00 0.00 O ATOM 113 CB VAL A 8 8.704 -3.090 7.636 1.00 0.00 C ATOM 114 CG1 VAL A 8 7.313 -2.640 8.088 1.00 0.00 C ATOM 115 CG2 VAL A 8 8.755 -4.620 7.604 1.00 0.00 C ATOM 0 HA VAL A 8 8.433 -3.135 5.510 1.00 0.00 H new ATOM 0 HB VAL A 8 9.450 -2.710 8.333 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.111 -3.030 9.086 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.272 -1.551 8.109 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.564 -3.018 7.392 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.548 -5.012 8.600 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.008 -4.994 6.905 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.745 -4.944 7.285 1.00 0.00 H new ATOM 125 N TYR A 9 7.496 -0.783 5.500 1.00 0.00 N ATOM 126 CA TYR A 9 7.079 0.639 5.375 1.00 0.00 C ATOM 127 C TYR A 9 5.674 0.829 5.946 1.00 0.00 C ATOM 128 O TYR A 9 4.776 0.052 5.689 1.00 0.00 O ATOM 129 CB TYR A 9 7.056 1.030 3.898 1.00 0.00 C ATOM 130 CG TYR A 9 8.371 1.656 3.491 1.00 0.00 C ATOM 131 CD1 TYR A 9 9.576 0.956 3.650 1.00 0.00 C ATOM 132 CD2 TYR A 9 8.378 2.938 2.926 1.00 0.00 C ATOM 133 CE1 TYR A 9 10.783 1.542 3.244 1.00 0.00 C ATOM 134 CE2 TYR A 9 9.583 3.518 2.518 1.00 0.00 C ATOM 135 CZ TYR A 9 10.784 2.822 2.677 1.00 0.00 C ATOM 136 OH TYR A 9 11.968 3.394 2.266 1.00 0.00 O ATOM 0 H TYR A 9 6.880 -1.462 5.053 1.00 0.00 H new ATOM 0 HA TYR A 9 7.785 1.261 5.925 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.862 0.149 3.286 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.242 1.731 3.715 1.00 0.00 H new ATOM 0 HD1 TYR A 9 9.574 -0.033 4.084 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.451 3.479 2.805 1.00 0.00 H new ATOM 0 HE1 TYR A 9 11.712 1.006 3.369 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.585 4.505 2.080 1.00 0.00 H new ATOM 0 HH TYR A 9 11.790 4.283 1.895 1.00 0.00 H new ATOM 146 N THR A 10 5.470 1.878 6.690 1.00 0.00 N ATOM 147 CA THR A 10 4.117 2.146 7.243 1.00 0.00 C ATOM 148 C THR A 10 3.373 3.013 6.230 1.00 0.00 C ATOM 149 O THR A 10 3.623 4.196 6.109 1.00 0.00 O ATOM 150 CB THR A 10 4.235 2.886 8.576 1.00 0.00 C ATOM 151 OG1 THR A 10 5.239 2.271 9.370 1.00 0.00 O ATOM 152 CG2 THR A 10 2.894 2.826 9.306 1.00 0.00 C ATOM 0 H THR A 10 6.184 2.562 6.939 1.00 0.00 H new ATOM 0 HA THR A 10 3.581 1.213 7.418 1.00 0.00 H new ATOM 0 HB THR A 10 4.505 3.927 8.396 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.317 2.745 10.224 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.974 3.352 10.257 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.125 3.297 8.694 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.625 1.786 9.489 1.00 0.00 H new ATOM 160 N GLY A 11 2.487 2.428 5.477 1.00 0.00 N ATOM 161 CA GLY A 11 1.759 3.213 4.444 1.00 0.00 C ATOM 162 C GLY A 11 0.626 4.018 5.074 1.00 0.00 C ATOM 163 O GLY A 11 -0.213 3.491 5.773 1.00 0.00 O ATOM 0 H GLY A 11 2.235 1.441 5.532 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.451 3.886 3.937 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.356 2.541 3.687 1.00 0.00 H new ATOM 167 N LYS A 12 0.577 5.290 4.803 1.00 0.00 N ATOM 168 CA LYS A 12 -0.521 6.125 5.352 1.00 0.00 C ATOM 169 C LYS A 12 -1.668 6.079 4.352 1.00 0.00 C ATOM 170 O LYS A 12 -1.452 5.979 3.163 1.00 0.00 O ATOM 171 CB LYS A 12 -0.043 7.572 5.521 1.00 0.00 C ATOM 172 CG LYS A 12 1.440 7.580 5.903 1.00 0.00 C ATOM 173 CD LYS A 12 1.920 9.023 6.076 1.00 0.00 C ATOM 174 CE LYS A 12 2.679 9.152 7.398 1.00 0.00 C ATOM 175 NZ LYS A 12 3.337 10.488 7.467 1.00 0.00 N ATOM 0 H LYS A 12 1.253 5.788 4.223 1.00 0.00 H new ATOM 0 HA LYS A 12 -0.838 5.752 6.326 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.194 8.126 4.595 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -0.630 8.072 6.291 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.590 7.023 6.828 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.027 7.081 5.132 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.566 9.305 5.244 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.069 9.705 6.064 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.993 9.029 8.236 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.426 8.363 7.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.853 10.575 8.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.003 10.588 6.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.615 11.234 7.409 1.00 0.00 H new ATOM 189 N VAL A 13 -2.885 6.147 4.794 1.00 0.00 N ATOM 190 CA VAL A 13 -3.994 6.085 3.811 1.00 0.00 C ATOM 191 C VAL A 13 -4.266 7.491 3.292 1.00 0.00 C ATOM 192 O VAL A 13 -4.841 8.322 3.968 1.00 0.00 O ATOM 193 CB VAL A 13 -5.254 5.526 4.469 1.00 0.00 C ATOM 194 CG1 VAL A 13 -6.301 5.245 3.391 1.00 0.00 C ATOM 195 CG2 VAL A 13 -4.914 4.226 5.202 1.00 0.00 C ATOM 0 H VAL A 13 -3.159 6.241 5.772 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.714 5.429 2.987 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.647 6.250 5.182 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.203 4.846 3.855 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.542 6.170 2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.906 4.518 2.681 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.813 3.827 5.672 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.523 3.499 4.490 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.163 4.425 5.967 1.00 0.00 H new ATOM 205 N THR A 14 -3.832 7.764 2.095 1.00 0.00 N ATOM 206 CA THR A 14 -4.029 9.116 1.515 1.00 0.00 C ATOM 207 C THR A 14 -5.032 9.045 0.357 1.00 0.00 C ATOM 208 O THR A 14 -5.469 10.054 -0.156 1.00 0.00 O ATOM 209 CB THR A 14 -2.682 9.637 1.003 1.00 0.00 C ATOM 210 OG1 THR A 14 -2.474 9.183 -0.327 1.00 0.00 O ATOM 211 CG2 THR A 14 -1.557 9.119 1.903 1.00 0.00 C ATOM 0 H THR A 14 -3.346 7.102 1.490 1.00 0.00 H new ATOM 0 HA THR A 14 -4.420 9.790 2.278 1.00 0.00 H new ATOM 0 HB THR A 14 -2.684 10.727 1.019 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.613 9.517 -0.656 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.599 9.490 1.538 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.717 9.469 2.923 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.553 8.029 1.889 1.00 0.00 H new ATOM 219 N ARG A 15 -5.403 7.861 -0.060 1.00 0.00 N ATOM 220 CA ARG A 15 -6.377 7.746 -1.186 1.00 0.00 C ATOM 221 C ARG A 15 -6.909 6.312 -1.283 1.00 0.00 C ATOM 222 O ARG A 15 -6.285 5.374 -0.830 1.00 0.00 O ATOM 223 CB ARG A 15 -5.675 8.114 -2.498 1.00 0.00 C ATOM 224 CG ARG A 15 -5.743 9.627 -2.713 1.00 0.00 C ATOM 225 CD ARG A 15 -4.363 10.240 -2.463 1.00 0.00 C ATOM 226 NE ARG A 15 -3.749 10.636 -3.760 1.00 0.00 N ATOM 227 CZ ARG A 15 -2.510 11.045 -3.797 1.00 0.00 C ATOM 228 NH1 ARG A 15 -2.170 12.148 -3.188 1.00 0.00 N ATOM 229 NH2 ARG A 15 -1.612 10.349 -4.439 1.00 0.00 N ATOM 0 H ARG A 15 -5.076 6.976 0.327 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.212 8.423 -1.005 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.635 7.788 -2.469 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.149 7.597 -3.332 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.072 9.846 -3.729 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.477 10.068 -2.038 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.453 11.109 -1.811 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.723 9.522 -1.950 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.296 10.588 -4.619 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.872 12.689 -2.684 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.202 12.469 -3.216 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.878 9.485 -4.912 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.644 10.669 -4.468 1.00 0.00 H new ATOM 243 N ILE A 16 -8.056 6.142 -1.889 1.00 0.00 N ATOM 244 CA ILE A 16 -8.645 4.778 -2.051 1.00 0.00 C ATOM 245 C ILE A 16 -9.353 4.718 -3.405 1.00 0.00 C ATOM 246 O ILE A 16 -9.779 5.729 -3.928 1.00 0.00 O ATOM 247 CB ILE A 16 -9.653 4.497 -0.933 1.00 0.00 C ATOM 248 CG1 ILE A 16 -9.012 4.811 0.421 1.00 0.00 C ATOM 249 CG2 ILE A 16 -10.060 3.019 -0.974 1.00 0.00 C ATOM 250 CD1 ILE A 16 -9.950 4.369 1.545 1.00 0.00 C ATOM 0 H ILE A 16 -8.616 6.898 -2.283 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.855 4.029 -2.000 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.535 5.122 -1.072 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.054 4.298 0.509 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.810 5.879 0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -10.778 2.817 -0.179 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.514 2.793 -1.939 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.178 2.395 -0.834 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.493 4.593 2.509 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.897 4.902 1.460 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.129 3.297 1.469 1.00 0.00 H new ATOM 262 N VAL A 17 -9.479 3.558 -3.990 1.00 0.00 N ATOM 263 CA VAL A 17 -10.155 3.486 -5.316 1.00 0.00 C ATOM 264 C VAL A 17 -11.173 2.330 -5.323 1.00 0.00 C ATOM 265 O VAL A 17 -11.049 1.372 -4.589 1.00 0.00 O ATOM 266 CB VAL A 17 -9.100 3.298 -6.433 1.00 0.00 C ATOM 267 CG1 VAL A 17 -7.716 3.690 -5.928 1.00 0.00 C ATOM 268 CG2 VAL A 17 -9.037 1.847 -6.882 1.00 0.00 C ATOM 0 H VAL A 17 -9.149 2.669 -3.614 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.691 4.417 -5.501 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.395 3.933 -7.268 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.985 3.552 -6.725 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.724 4.735 -5.620 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.448 3.063 -5.078 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.288 1.741 -7.667 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.767 1.216 -6.036 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.011 1.542 -7.266 1.00 0.00 H new ATOM 278 N ASP A 18 -12.170 2.404 -6.160 1.00 0.00 N ATOM 279 CA ASP A 18 -13.174 1.303 -6.212 1.00 0.00 C ATOM 280 C ASP A 18 -12.468 -0.012 -6.563 1.00 0.00 C ATOM 281 O ASP A 18 -12.760 -1.053 -6.009 1.00 0.00 O ATOM 282 CB ASP A 18 -14.223 1.619 -7.280 1.00 0.00 C ATOM 283 CG ASP A 18 -15.519 0.873 -6.960 1.00 0.00 C ATOM 284 OD1 ASP A 18 -15.434 -0.210 -6.404 1.00 0.00 O ATOM 285 OD2 ASP A 18 -16.575 1.397 -7.276 1.00 0.00 O ATOM 0 H ASP A 18 -12.333 3.175 -6.808 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.662 1.208 -5.242 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.408 2.692 -7.316 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.856 1.326 -8.263 1.00 0.00 H new ATOM 290 N PHE A 19 -11.548 0.030 -7.489 1.00 0.00 N ATOM 291 CA PHE A 19 -10.823 -1.212 -7.891 1.00 0.00 C ATOM 292 C PHE A 19 -9.550 -1.379 -7.054 1.00 0.00 C ATOM 293 O PHE A 19 -8.596 -1.989 -7.491 1.00 0.00 O ATOM 294 CB PHE A 19 -10.430 -1.107 -9.367 1.00 0.00 C ATOM 295 CG PHE A 19 -9.854 0.264 -9.626 1.00 0.00 C ATOM 296 CD1 PHE A 19 -8.525 0.542 -9.280 1.00 0.00 C ATOM 297 CD2 PHE A 19 -10.653 1.263 -10.192 1.00 0.00 C ATOM 298 CE1 PHE A 19 -7.998 1.822 -9.501 1.00 0.00 C ATOM 299 CE2 PHE A 19 -10.126 2.540 -10.413 1.00 0.00 C ATOM 300 CZ PHE A 19 -8.799 2.820 -10.065 1.00 0.00 C ATOM 0 H PHE A 19 -11.266 0.874 -7.987 1.00 0.00 H new ATOM 0 HA PHE A 19 -11.476 -2.070 -7.730 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.699 -1.876 -9.618 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.300 -1.276 -10.001 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.907 -0.229 -8.844 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.677 1.048 -10.459 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.973 2.037 -9.236 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.743 3.310 -10.852 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.394 3.807 -10.232 1.00 0.00 H new ATOM 310 N GLY A 20 -9.513 -0.845 -5.862 1.00 0.00 N ATOM 311 CA GLY A 20 -8.277 -0.993 -5.038 1.00 0.00 C ATOM 312 C GLY A 20 -8.171 0.124 -3.993 1.00 0.00 C ATOM 313 O GLY A 20 -9.154 0.674 -3.545 1.00 0.00 O ATOM 0 H GLY A 20 -10.272 -0.320 -5.428 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.283 -1.962 -4.539 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.400 -0.973 -5.686 1.00 0.00 H new ATOM 317 N ALA A 21 -6.971 0.451 -3.595 1.00 0.00 N ATOM 318 CA ALA A 21 -6.776 1.519 -2.578 1.00 0.00 C ATOM 319 C ALA A 21 -5.410 2.165 -2.791 1.00 0.00 C ATOM 320 O ALA A 21 -4.460 1.513 -3.164 1.00 0.00 O ATOM 321 CB ALA A 21 -6.820 0.905 -1.178 1.00 0.00 C ATOM 0 H ALA A 21 -6.112 0.019 -3.935 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.564 2.265 -2.677 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.677 1.688 -0.433 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.787 0.426 -1.021 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.028 0.163 -1.081 1.00 0.00 H new ATOM 327 N PHE A 22 -5.304 3.441 -2.567 1.00 0.00 N ATOM 328 CA PHE A 22 -4.001 4.129 -2.755 1.00 0.00 C ATOM 329 C PHE A 22 -3.388 4.432 -1.385 1.00 0.00 C ATOM 330 O PHE A 22 -4.085 4.582 -0.401 1.00 0.00 O ATOM 331 CB PHE A 22 -4.228 5.432 -3.522 1.00 0.00 C ATOM 332 CG PHE A 22 -4.445 5.133 -4.991 1.00 0.00 C ATOM 333 CD1 PHE A 22 -4.567 3.807 -5.439 1.00 0.00 C ATOM 334 CD2 PHE A 22 -4.521 6.186 -5.908 1.00 0.00 C ATOM 335 CE1 PHE A 22 -4.760 3.540 -6.796 1.00 0.00 C ATOM 336 CE2 PHE A 22 -4.716 5.917 -7.267 1.00 0.00 C ATOM 337 CZ PHE A 22 -4.835 4.594 -7.711 1.00 0.00 C ATOM 0 H PHE A 22 -6.069 4.041 -2.260 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.321 3.491 -3.320 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.093 5.957 -3.117 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.369 6.091 -3.399 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.511 2.992 -4.732 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.429 7.207 -5.567 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.851 2.520 -7.138 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.775 6.731 -7.975 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.985 4.388 -8.761 1.00 0.00 H new ATOM 347 N VAL A 23 -2.088 4.515 -1.313 1.00 0.00 N ATOM 348 CA VAL A 23 -1.428 4.796 -0.006 1.00 0.00 C ATOM 349 C VAL A 23 -0.177 5.659 -0.241 1.00 0.00 C ATOM 350 O VAL A 23 0.308 5.770 -1.347 1.00 0.00 O ATOM 351 CB VAL A 23 -1.049 3.461 0.648 1.00 0.00 C ATOM 352 CG1 VAL A 23 -0.065 3.697 1.790 1.00 0.00 C ATOM 353 CG2 VAL A 23 -2.311 2.799 1.207 1.00 0.00 C ATOM 0 H VAL A 23 -1.453 4.400 -2.103 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.104 5.340 0.654 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.585 2.817 -0.099 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.197 2.743 2.247 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.835 4.173 1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.524 4.344 2.538 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.048 1.850 1.673 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.767 3.454 1.950 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.018 2.622 0.397 1.00 0.00 H new ATOM 363 N ALA A 24 0.338 6.286 0.782 1.00 0.00 N ATOM 364 CA ALA A 24 1.540 7.152 0.598 1.00 0.00 C ATOM 365 C ALA A 24 2.560 6.885 1.718 1.00 0.00 C ATOM 366 O ALA A 24 2.224 6.888 2.883 1.00 0.00 O ATOM 367 CB ALA A 24 1.106 8.621 0.639 1.00 0.00 C ATOM 0 H ALA A 24 -0.020 6.237 1.736 1.00 0.00 H new ATOM 0 HA ALA A 24 2.005 6.928 -0.362 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.978 9.262 0.505 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.390 8.811 -0.160 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.641 8.836 1.601 1.00 0.00 H new ATOM 373 N ILE A 25 3.810 6.668 1.376 1.00 0.00 N ATOM 374 CA ILE A 25 4.840 6.415 2.426 1.00 0.00 C ATOM 375 C ILE A 25 5.854 7.559 2.420 1.00 0.00 C ATOM 376 O ILE A 25 6.885 7.483 1.782 1.00 0.00 O ATOM 377 CB ILE A 25 5.569 5.096 2.140 1.00 0.00 C ATOM 378 CG1 ILE A 25 5.690 4.886 0.629 1.00 0.00 C ATOM 379 CG2 ILE A 25 4.787 3.933 2.748 1.00 0.00 C ATOM 380 CD1 ILE A 25 6.277 3.502 0.349 1.00 0.00 C ATOM 0 H ILE A 25 4.157 6.656 0.417 1.00 0.00 H new ATOM 0 HA ILE A 25 4.352 6.352 3.399 1.00 0.00 H new ATOM 0 HB ILE A 25 6.565 5.138 2.582 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.711 4.979 0.159 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.326 5.657 0.194 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.308 2.998 2.543 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.705 4.074 3.826 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.790 3.897 2.310 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.362 3.354 -0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.264 3.426 0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.623 2.738 0.769 1.00 0.00 H new ATOM 413 N LYS A 29 8.305 7.583 -1.420 1.00 0.00 N ATOM 414 CA LYS A 29 7.283 7.748 -2.493 1.00 0.00 C ATOM 415 C LYS A 29 5.903 7.373 -1.944 1.00 0.00 C ATOM 416 O LYS A 29 5.682 7.345 -0.747 1.00 0.00 O ATOM 417 CB LYS A 29 7.636 6.830 -3.668 1.00 0.00 C ATOM 418 CG LYS A 29 8.094 7.673 -4.860 1.00 0.00 C ATOM 419 CD LYS A 29 6.907 7.931 -5.789 1.00 0.00 C ATOM 420 CE LYS A 29 7.241 9.083 -6.738 1.00 0.00 C ATOM 421 NZ LYS A 29 6.656 8.807 -8.081 1.00 0.00 N ATOM 0 HA LYS A 29 7.267 8.784 -2.831 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.425 6.136 -3.376 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.770 6.229 -3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.509 8.619 -4.512 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.887 7.157 -5.401 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.676 7.031 -6.360 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.020 8.174 -5.204 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.846 10.019 -6.343 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.322 9.201 -6.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.883 9.590 -8.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.053 7.922 -8.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.623 8.715 -7.998 1.00 0.00 H new ATOM 435 N GLU A 30 4.964 7.084 -2.802 1.00 0.00 N ATOM 436 CA GLU A 30 3.615 6.711 -2.304 1.00 0.00 C ATOM 437 C GLU A 30 3.404 5.207 -2.471 1.00 0.00 C ATOM 438 O GLU A 30 3.910 4.595 -3.391 1.00 0.00 O ATOM 439 CB GLU A 30 2.534 7.468 -3.077 1.00 0.00 C ATOM 440 CG GLU A 30 3.052 8.857 -3.452 1.00 0.00 C ATOM 441 CD GLU A 30 1.884 9.843 -3.507 1.00 0.00 C ATOM 442 OE1 GLU A 30 0.885 9.584 -2.856 1.00 0.00 O ATOM 443 OE2 GLU A 30 2.007 10.839 -4.200 1.00 0.00 O ATOM 0 H GLU A 30 5.072 7.090 -3.816 1.00 0.00 H new ATOM 0 HA GLU A 30 3.545 6.976 -1.249 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.261 6.915 -3.976 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.633 7.556 -2.470 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.789 9.191 -2.721 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.555 8.820 -4.418 1.00 0.00 H new ATOM 450 N GLY A 31 2.648 4.610 -1.593 1.00 0.00 N ATOM 451 CA GLY A 31 2.386 3.149 -1.701 1.00 0.00 C ATOM 452 C GLY A 31 1.024 2.950 -2.359 1.00 0.00 C ATOM 453 O GLY A 31 0.355 3.901 -2.706 1.00 0.00 O ATOM 0 H GLY A 31 2.199 5.073 -0.803 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.166 2.667 -2.290 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.401 2.687 -0.714 1.00 0.00 H new ATOM 457 N LEU A 32 0.597 1.736 -2.536 1.00 0.00 N ATOM 458 CA LEU A 32 -0.732 1.527 -3.167 1.00 0.00 C ATOM 459 C LEU A 32 -1.367 0.236 -2.667 1.00 0.00 C ATOM 460 O LEU A 32 -0.873 -0.847 -2.913 1.00 0.00 O ATOM 461 CB LEU A 32 -0.600 1.438 -4.679 1.00 0.00 C ATOM 462 CG LEU A 32 -1.967 1.753 -5.278 1.00 0.00 C ATOM 463 CD1 LEU A 32 -1.900 3.079 -6.011 1.00 0.00 C ATOM 464 CD2 LEU A 32 -2.385 0.655 -6.249 1.00 0.00 C ATOM 0 H LEU A 32 1.102 0.889 -2.276 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.359 2.377 -2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.149 2.143 -5.041 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.271 0.443 -4.977 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.702 1.811 -4.475 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.876 3.307 -6.440 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.618 3.867 -5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.158 3.017 -6.808 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.362 0.893 -6.669 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.653 0.582 -7.053 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.439 -0.297 -5.721 1.00 0.00 H new ATOM 476 N VAL A 33 -2.485 0.334 -2.011 1.00 0.00 N ATOM 477 CA VAL A 33 -3.171 -0.892 -1.552 1.00 0.00 C ATOM 478 C VAL A 33 -4.148 -1.311 -2.651 1.00 0.00 C ATOM 479 O VAL A 33 -5.348 -1.348 -2.456 1.00 0.00 O ATOM 480 CB VAL A 33 -3.936 -0.612 -0.259 1.00 0.00 C ATOM 481 CG1 VAL A 33 -4.511 -1.921 0.284 1.00 0.00 C ATOM 482 CG2 VAL A 33 -2.987 -0.004 0.775 1.00 0.00 C ATOM 0 H VAL A 33 -2.950 1.210 -1.775 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.448 -1.683 -1.356 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.748 0.087 -0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.057 -1.724 1.206 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.188 -2.354 -0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.699 -2.619 0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.533 0.196 1.697 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.175 -0.702 0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.576 0.928 0.388 1.00 0.00 H new ATOM 492 N HIS A 34 -3.649 -1.602 -3.820 1.00 0.00 N ATOM 493 CA HIS A 34 -4.562 -2.000 -4.919 1.00 0.00 C ATOM 494 C HIS A 34 -5.485 -3.109 -4.410 1.00 0.00 C ATOM 495 O HIS A 34 -5.164 -3.816 -3.474 1.00 0.00 O ATOM 496 CB HIS A 34 -3.757 -2.519 -6.111 1.00 0.00 C ATOM 497 CG HIS A 34 -4.581 -2.393 -7.362 1.00 0.00 C ATOM 498 ND1 HIS A 34 -4.731 -3.442 -8.256 1.00 0.00 N ATOM 499 CD2 HIS A 34 -5.313 -1.352 -7.882 1.00 0.00 C ATOM 500 CE1 HIS A 34 -5.524 -3.015 -9.255 1.00 0.00 C ATOM 501 NE2 HIS A 34 -5.907 -1.747 -9.077 1.00 0.00 N ATOM 0 H HIS A 34 -2.657 -1.581 -4.058 1.00 0.00 H new ATOM 0 HA HIS A 34 -5.146 -1.137 -5.238 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.831 -1.953 -6.213 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.477 -3.560 -5.950 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -4.315 -4.370 -8.171 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.412 -0.376 -7.431 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.816 -3.623 -10.099 1.00 0.00 H new ATOM 509 N ILE A 35 -6.625 -3.268 -5.013 1.00 0.00 N ATOM 510 CA ILE A 35 -7.570 -4.327 -4.568 1.00 0.00 C ATOM 511 C ILE A 35 -6.827 -5.658 -4.425 1.00 0.00 C ATOM 512 O ILE A 35 -6.970 -6.357 -3.440 1.00 0.00 O ATOM 513 CB ILE A 35 -8.680 -4.459 -5.614 1.00 0.00 C ATOM 514 CG1 ILE A 35 -9.560 -5.672 -5.294 1.00 0.00 C ATOM 515 CG2 ILE A 35 -8.049 -4.639 -6.996 1.00 0.00 C ATOM 516 CD1 ILE A 35 -10.807 -5.209 -4.541 1.00 0.00 C ATOM 0 H ILE A 35 -6.947 -2.706 -5.801 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.000 -4.062 -3.602 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.296 -3.560 -5.602 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.846 -6.181 -6.215 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.004 -6.390 -4.692 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.835 -4.734 -7.745 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.429 -3.773 -7.228 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.433 -5.538 -7.001 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.435 -6.070 -4.312 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.511 -4.719 -3.613 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.366 -4.507 -5.160 1.00 0.00 H new ATOM 528 N SER A 36 -6.043 -6.021 -5.402 1.00 0.00 N ATOM 529 CA SER A 36 -5.300 -7.314 -5.326 1.00 0.00 C ATOM 530 C SER A 36 -4.029 -7.159 -4.479 1.00 0.00 C ATOM 531 O SER A 36 -2.993 -7.699 -4.810 1.00 0.00 O ATOM 532 CB SER A 36 -4.912 -7.756 -6.737 1.00 0.00 C ATOM 533 OG SER A 36 -4.248 -9.011 -6.669 1.00 0.00 O ATOM 0 H SER A 36 -5.883 -5.479 -6.251 1.00 0.00 H new ATOM 0 HA SER A 36 -5.944 -8.061 -4.861 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.801 -7.835 -7.363 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.262 -7.012 -7.198 1.00 0.00 H new ATOM 0 HG SER A 36 -3.559 -8.979 -5.973 1.00 0.00 H new ATOM 539 N GLN A 37 -4.090 -6.434 -3.392 1.00 0.00 N ATOM 540 CA GLN A 37 -2.872 -6.269 -2.547 1.00 0.00 C ATOM 541 C GLN A 37 -3.272 -6.066 -1.086 1.00 0.00 C ATOM 542 O GLN A 37 -2.727 -5.227 -0.396 1.00 0.00 O ATOM 543 CB GLN A 37 -2.076 -5.059 -3.032 1.00 0.00 C ATOM 544 CG GLN A 37 -1.832 -5.191 -4.535 1.00 0.00 C ATOM 545 CD GLN A 37 -0.726 -4.227 -4.965 1.00 0.00 C ATOM 546 OE1 GLN A 37 -0.946 -3.037 -5.067 1.00 0.00 O ATOM 547 NE2 GLN A 37 0.464 -4.697 -5.223 1.00 0.00 N ATOM 0 H GLN A 37 -4.924 -5.953 -3.056 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.258 -7.166 -2.626 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.622 -4.140 -2.819 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.126 -4.996 -2.501 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.550 -6.215 -4.779 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.749 -4.974 -5.082 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.647 -5.697 -5.137 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.211 -4.065 -5.511 1.00 0.00 H new ATOM 556 N ILE A 38 -4.214 -6.826 -0.603 1.00 0.00 N ATOM 557 CA ILE A 38 -4.632 -6.668 0.817 1.00 0.00 C ATOM 558 C ILE A 38 -4.420 -7.987 1.562 1.00 0.00 C ATOM 559 O ILE A 38 -3.326 -8.305 1.984 1.00 0.00 O ATOM 560 CB ILE A 38 -6.106 -6.262 0.896 1.00 0.00 C ATOM 561 CG1 ILE A 38 -6.269 -4.812 0.432 1.00 0.00 C ATOM 562 CG2 ILE A 38 -6.583 -6.377 2.344 1.00 0.00 C ATOM 563 CD1 ILE A 38 -5.791 -4.674 -1.013 1.00 0.00 C ATOM 0 H ILE A 38 -4.711 -7.546 -1.127 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.028 -5.887 1.278 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.695 -6.918 0.255 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.314 -4.511 0.509 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.697 -4.147 1.079 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.632 -6.089 2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.469 -7.406 2.684 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.988 -5.718 2.976 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.909 -3.640 -1.338 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.740 -4.957 -1.077 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.382 -5.326 -1.656 1.00 0.00 H new ATOM 575 N ALA A 39 -5.457 -8.754 1.730 1.00 0.00 N ATOM 576 CA ALA A 39 -5.319 -10.048 2.452 1.00 0.00 C ATOM 577 C ALA A 39 -5.549 -11.207 1.479 1.00 0.00 C ATOM 578 O ALA A 39 -6.245 -11.071 0.491 1.00 0.00 O ATOM 579 CB ALA A 39 -6.355 -10.106 3.578 1.00 0.00 C ATOM 0 H ALA A 39 -6.398 -8.541 1.398 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.317 -10.129 2.872 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.260 -11.052 4.112 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.187 -9.281 4.270 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.357 -10.027 3.155 1.00 0.00 H new ATOM 643 N VAL A 43 -10.518 -9.147 -1.039 1.00 0.00 N ATOM 644 CA VAL A 43 -11.129 -8.049 -0.249 1.00 0.00 C ATOM 645 C VAL A 43 -12.279 -7.453 -1.062 1.00 0.00 C ATOM 646 O VAL A 43 -12.114 -6.486 -1.780 1.00 0.00 O ATOM 647 CB VAL A 43 -10.075 -6.977 0.045 1.00 0.00 C ATOM 648 CG1 VAL A 43 -10.760 -5.673 0.453 1.00 0.00 C ATOM 649 CG2 VAL A 43 -9.176 -7.454 1.188 1.00 0.00 C ATOM 0 HA VAL A 43 -11.507 -8.430 0.700 1.00 0.00 H new ATOM 0 HB VAL A 43 -9.477 -6.805 -0.850 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -10.005 -4.915 0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -11.404 -5.331 -0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.360 -5.842 1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.424 -6.694 1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.780 -7.626 2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.682 -8.382 0.900 1.00 0.00 H new ATOM 659 N GLU A 44 -13.441 -8.033 -0.956 1.00 0.00 N ATOM 660 CA GLU A 44 -14.614 -7.520 -1.720 1.00 0.00 C ATOM 661 C GLU A 44 -14.686 -5.994 -1.622 1.00 0.00 C ATOM 662 O GLU A 44 -15.306 -5.344 -2.440 1.00 0.00 O ATOM 663 CB GLU A 44 -15.892 -8.126 -1.139 1.00 0.00 C ATOM 664 CG GLU A 44 -15.860 -9.646 -1.307 1.00 0.00 C ATOM 665 CD GLU A 44 -16.402 -10.313 -0.041 1.00 0.00 C ATOM 666 OE1 GLU A 44 -16.883 -9.599 0.823 1.00 0.00 O ATOM 667 OE2 GLU A 44 -16.327 -11.528 0.043 1.00 0.00 O ATOM 0 H GLU A 44 -13.631 -8.846 -0.369 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.509 -7.801 -2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -15.982 -7.868 -0.084 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -16.765 -7.712 -1.644 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -16.458 -9.939 -2.170 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -14.840 -9.980 -1.498 1.00 0.00 H new ATOM 674 N LYS A 45 -14.071 -5.413 -0.627 1.00 0.00 N ATOM 675 CA LYS A 45 -14.130 -3.928 -0.492 1.00 0.00 C ATOM 676 C LYS A 45 -12.761 -3.380 -0.074 1.00 0.00 C ATOM 677 O LYS A 45 -12.263 -3.678 0.993 1.00 0.00 O ATOM 678 CB LYS A 45 -15.169 -3.559 0.567 1.00 0.00 C ATOM 679 CG LYS A 45 -16.281 -2.728 -0.075 1.00 0.00 C ATOM 680 CD LYS A 45 -17.621 -3.073 0.580 1.00 0.00 C ATOM 681 CE LYS A 45 -18.766 -2.568 -0.299 1.00 0.00 C ATOM 682 NZ LYS A 45 -20.066 -3.035 0.261 1.00 0.00 N ATOM 0 H LYS A 45 -13.534 -5.897 0.093 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.408 -3.493 -1.452 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.587 -4.462 1.012 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.698 -2.995 1.372 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.070 -1.665 0.043 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -16.326 -2.927 -1.146 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -17.703 -4.151 0.718 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -17.681 -2.620 1.569 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -18.749 -1.479 -0.347 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -18.645 -2.934 -1.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -20.845 -2.692 -0.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -20.080 -4.075 0.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -20.181 -2.665 1.226 1.00 0.00 H new ATOM 696 N VAL A 46 -12.161 -2.567 -0.903 1.00 0.00 N ATOM 697 CA VAL A 46 -10.825 -1.987 -0.543 1.00 0.00 C ATOM 698 C VAL A 46 -11.025 -0.942 0.548 1.00 0.00 C ATOM 699 O VAL A 46 -10.150 -0.693 1.352 1.00 0.00 O ATOM 700 CB VAL A 46 -10.147 -1.325 -1.756 1.00 0.00 C ATOM 701 CG1 VAL A 46 -8.783 -1.977 -1.992 1.00 0.00 C ATOM 702 CG2 VAL A 46 -11.001 -1.484 -3.015 1.00 0.00 C ATOM 0 H VAL A 46 -12.532 -2.279 -1.808 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.181 -2.795 -0.197 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.028 -0.262 -1.546 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.300 -1.510 -2.851 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.159 -1.845 -1.108 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.917 -3.041 -2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.499 -1.008 -3.857 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.141 -2.544 -3.228 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.972 -1.014 -2.858 1.00 0.00 H new ATOM 712 N THR A 47 -12.176 -0.337 0.587 1.00 0.00 N ATOM 713 CA THR A 47 -12.439 0.685 1.636 1.00 0.00 C ATOM 714 C THR A 47 -12.703 -0.021 2.971 1.00 0.00 C ATOM 715 O THR A 47 -12.962 0.612 3.975 1.00 0.00 O ATOM 716 CB THR A 47 -13.664 1.516 1.244 1.00 0.00 C ATOM 717 OG1 THR A 47 -14.797 0.666 1.139 1.00 0.00 O ATOM 718 CG2 THR A 47 -13.408 2.200 -0.101 1.00 0.00 C ATOM 0 H THR A 47 -12.946 -0.505 -0.061 1.00 0.00 H new ATOM 0 HA THR A 47 -11.575 1.342 1.734 1.00 0.00 H new ATOM 0 HB THR A 47 -13.849 2.274 2.005 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.582 1.197 0.890 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.280 2.792 -0.380 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.539 2.852 -0.018 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.223 1.444 -0.864 1.00 0.00 H new ATOM 726 N ASP A 48 -12.635 -1.328 2.990 1.00 0.00 N ATOM 727 CA ASP A 48 -12.876 -2.068 4.263 1.00 0.00 C ATOM 728 C ASP A 48 -11.532 -2.406 4.905 1.00 0.00 C ATOM 729 O ASP A 48 -11.386 -2.394 6.111 1.00 0.00 O ATOM 730 CB ASP A 48 -13.642 -3.362 3.973 1.00 0.00 C ATOM 731 CG ASP A 48 -15.116 -3.036 3.721 1.00 0.00 C ATOM 732 OD1 ASP A 48 -15.380 -2.021 3.100 1.00 0.00 O ATOM 733 OD2 ASP A 48 -15.955 -3.809 4.154 1.00 0.00 O ATOM 0 H ASP A 48 -12.424 -1.912 2.181 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.464 -1.448 4.939 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.215 -3.863 3.104 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.549 -4.049 4.814 1.00 0.00 H new ATOM 738 N TYR A 49 -10.544 -2.695 4.105 1.00 0.00 N ATOM 739 CA TYR A 49 -9.203 -3.021 4.663 1.00 0.00 C ATOM 740 C TYR A 49 -8.390 -1.732 4.754 1.00 0.00 C ATOM 741 O TYR A 49 -7.512 -1.587 5.581 1.00 0.00 O ATOM 742 CB TYR A 49 -8.494 -4.010 3.742 1.00 0.00 C ATOM 743 CG TYR A 49 -9.242 -5.320 3.752 1.00 0.00 C ATOM 744 CD1 TYR A 49 -10.554 -5.377 3.270 1.00 0.00 C ATOM 745 CD2 TYR A 49 -8.626 -6.479 4.241 1.00 0.00 C ATOM 746 CE1 TYR A 49 -11.250 -6.590 3.277 1.00 0.00 C ATOM 747 CE2 TYR A 49 -9.321 -7.691 4.249 1.00 0.00 C ATOM 748 CZ TYR A 49 -10.634 -7.748 3.766 1.00 0.00 C ATOM 749 OH TYR A 49 -11.320 -8.945 3.773 1.00 0.00 O ATOM 0 H TYR A 49 -10.608 -2.719 3.087 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.307 -3.468 5.652 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.447 -3.612 2.728 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.467 -4.161 4.073 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -11.030 -4.484 2.892 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.613 -6.436 4.612 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -12.263 -6.633 2.905 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.846 -8.584 4.628 1.00 0.00 H new ATOM 0 HH TYR A 49 -10.747 -9.648 4.144 1.00 0.00 H new ATOM 759 N LEU A 50 -8.693 -0.790 3.903 1.00 0.00 N ATOM 760 CA LEU A 50 -7.962 0.506 3.920 1.00 0.00 C ATOM 761 C LEU A 50 -8.860 1.566 4.555 1.00 0.00 C ATOM 762 O LEU A 50 -10.053 1.602 4.325 1.00 0.00 O ATOM 763 CB LEU A 50 -7.630 0.918 2.479 1.00 0.00 C ATOM 764 CG LEU A 50 -6.111 0.934 2.232 1.00 0.00 C ATOM 765 CD1 LEU A 50 -5.549 2.302 2.612 1.00 0.00 C ATOM 766 CD2 LEU A 50 -5.413 -0.152 3.059 1.00 0.00 C ATOM 0 H LEU A 50 -9.421 -0.865 3.192 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.039 0.408 4.492 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.105 0.227 1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.043 1.907 2.278 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.929 0.737 1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.473 2.315 2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.024 3.072 2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.748 2.497 3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.340 -0.122 2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.598 0.023 4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.804 -1.130 2.779 1.00 0.00 H new ATOM 778 N GLN A 51 -8.301 2.428 5.355 1.00 0.00 N ATOM 779 CA GLN A 51 -9.132 3.481 6.006 1.00 0.00 C ATOM 780 C GLN A 51 -8.454 4.843 5.854 1.00 0.00 C ATOM 781 O GLN A 51 -7.316 5.029 6.235 1.00 0.00 O ATOM 782 CB GLN A 51 -9.300 3.158 7.490 1.00 0.00 C ATOM 783 CG GLN A 51 -10.475 3.959 8.055 1.00 0.00 C ATOM 784 CD GLN A 51 -11.792 3.349 7.570 1.00 0.00 C ATOM 785 OE1 GLN A 51 -12.331 3.760 6.562 1.00 0.00 O ATOM 786 NE2 GLN A 51 -12.337 2.380 8.253 1.00 0.00 N ATOM 0 H GLN A 51 -7.308 2.451 5.587 1.00 0.00 H new ATOM 0 HA GLN A 51 -10.111 3.510 5.528 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -9.476 2.091 7.623 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -8.386 3.401 8.032 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -10.440 3.956 9.144 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -10.405 4.999 7.737 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -11.884 2.035 9.099 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.216 1.967 7.941 1.00 0.00 H new ATOM 795 N MET A 52 -9.149 5.797 5.300 1.00 0.00 N ATOM 796 CA MET A 52 -8.556 7.149 5.120 1.00 0.00 C ATOM 797 C MET A 52 -8.131 7.715 6.476 1.00 0.00 C ATOM 798 O MET A 52 -8.888 7.725 7.425 1.00 0.00 O ATOM 799 CB MET A 52 -9.600 8.065 4.482 1.00 0.00 C ATOM 800 CG MET A 52 -10.831 8.154 5.386 1.00 0.00 C ATOM 801 SD MET A 52 -11.992 9.367 4.705 1.00 0.00 S ATOM 802 CE MET A 52 -12.605 8.355 3.335 1.00 0.00 C ATOM 0 H MET A 52 -10.106 5.697 4.963 1.00 0.00 H new ATOM 0 HA MET A 52 -7.679 7.083 4.476 1.00 0.00 H new ATOM 0 HB2 MET A 52 -9.179 9.058 4.326 1.00 0.00 H new ATOM 0 HB3 MET A 52 -9.884 7.681 3.502 1.00 0.00 H new ATOM 0 HG2 MET A 52 -11.311 7.178 5.463 1.00 0.00 H new ATOM 0 HG3 MET A 52 -10.535 8.444 6.394 1.00 0.00 H new ATOM 0 HE1 MET A 52 -13.555 8.756 2.983 1.00 0.00 H new ATOM 0 HE2 MET A 52 -11.881 8.369 2.520 1.00 0.00 H new ATOM 0 HE3 MET A 52 -12.748 7.330 3.676 1.00 0.00 H new ATOM 812 N GLY A 53 -6.920 8.193 6.572 1.00 0.00 N ATOM 813 CA GLY A 53 -6.445 8.768 7.863 1.00 0.00 C ATOM 814 C GLY A 53 -5.714 7.698 8.676 1.00 0.00 C ATOM 815 O GLY A 53 -4.807 7.991 9.430 1.00 0.00 O ATOM 0 H GLY A 53 -6.239 8.210 5.813 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.779 9.610 7.672 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.291 9.154 8.432 1.00 0.00 H new ATOM 819 N GLN A 54 -6.103 6.461 8.538 1.00 0.00 N ATOM 820 CA GLN A 54 -5.432 5.379 9.312 1.00 0.00 C ATOM 821 C GLN A 54 -4.092 5.031 8.662 1.00 0.00 C ATOM 822 O GLN A 54 -3.647 5.678 7.736 1.00 0.00 O ATOM 823 CB GLN A 54 -6.319 4.134 9.324 1.00 0.00 C ATOM 824 CG GLN A 54 -7.543 4.386 10.205 1.00 0.00 C ATOM 825 CD GLN A 54 -8.188 3.049 10.576 1.00 0.00 C ATOM 826 OE1 GLN A 54 -7.979 2.054 9.910 1.00 0.00 O ATOM 827 NE2 GLN A 54 -8.969 2.983 11.620 1.00 0.00 N ATOM 0 H GLN A 54 -6.856 6.152 7.923 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.264 5.723 10.332 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.633 3.889 8.309 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.758 3.279 9.700 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.251 4.924 11.107 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.261 5.014 9.678 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.145 3.818 12.179 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.404 2.097 11.877 1.00 0.00 H new ATOM 836 N GLU A 55 -3.450 4.001 9.144 1.00 0.00 N ATOM 837 CA GLU A 55 -2.142 3.592 8.563 1.00 0.00 C ATOM 838 C GLU A 55 -2.048 2.064 8.577 1.00 0.00 C ATOM 839 O GLU A 55 -2.713 1.399 9.346 1.00 0.00 O ATOM 840 CB GLU A 55 -1.003 4.185 9.394 1.00 0.00 C ATOM 841 CG GLU A 55 -1.317 5.647 9.717 1.00 0.00 C ATOM 842 CD GLU A 55 -0.064 6.328 10.273 1.00 0.00 C ATOM 843 OE1 GLU A 55 0.962 5.672 10.341 1.00 0.00 O ATOM 844 OE2 GLU A 55 -0.153 7.495 10.620 1.00 0.00 O ATOM 0 H GLU A 55 -3.778 3.424 9.918 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.063 3.957 7.539 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.876 3.617 10.315 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.064 4.116 8.845 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.657 6.164 8.819 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.127 5.704 10.444 1.00 0.00 H new ATOM 851 N VAL A 56 -1.232 1.501 7.731 1.00 0.00 N ATOM 852 CA VAL A 56 -1.103 0.020 7.696 1.00 0.00 C ATOM 853 C VAL A 56 0.368 -0.363 7.498 1.00 0.00 C ATOM 854 O VAL A 56 1.075 0.275 6.742 1.00 0.00 O ATOM 855 CB VAL A 56 -1.929 -0.533 6.534 1.00 0.00 C ATOM 856 CG1 VAL A 56 -3.411 -0.236 6.771 1.00 0.00 C ATOM 857 CG2 VAL A 56 -1.481 0.130 5.231 1.00 0.00 C ATOM 0 H VAL A 56 -0.649 2.004 7.062 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.464 -0.397 8.636 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.781 -1.611 6.466 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.998 -0.631 5.942 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.732 -0.707 7.700 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.560 0.842 6.840 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.069 -0.263 4.402 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.629 1.208 5.302 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.425 -0.081 5.060 1.00 0.00 H new ATOM 867 N PRO A 57 0.783 -1.402 8.182 1.00 0.00 N ATOM 868 CA PRO A 57 2.163 -1.903 8.096 1.00 0.00 C ATOM 869 C PRO A 57 2.336 -2.737 6.825 1.00 0.00 C ATOM 870 O PRO A 57 1.545 -3.613 6.537 1.00 0.00 O ATOM 871 CB PRO A 57 2.305 -2.780 9.343 1.00 0.00 C ATOM 872 CG PRO A 57 0.870 -3.190 9.753 1.00 0.00 C ATOM 873 CD PRO A 57 -0.082 -2.170 9.101 1.00 0.00 C ATOM 0 HA PRO A 57 2.910 -1.110 8.053 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.915 -3.659 9.133 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.798 -2.235 10.148 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.645 -4.201 9.415 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.760 -3.184 10.837 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.891 -2.666 8.565 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.544 -1.523 9.847 1.00 0.00 H new ATOM 881 N VAL A 58 3.354 -2.470 6.056 1.00 0.00 N ATOM 882 CA VAL A 58 3.552 -3.254 4.806 1.00 0.00 C ATOM 883 C VAL A 58 5.046 -3.488 4.566 1.00 0.00 C ATOM 884 O VAL A 58 5.875 -3.217 5.412 1.00 0.00 O ATOM 885 CB VAL A 58 2.940 -2.487 3.624 1.00 0.00 C ATOM 886 CG1 VAL A 58 1.694 -1.742 4.101 1.00 0.00 C ATOM 887 CG2 VAL A 58 3.946 -1.470 3.069 1.00 0.00 C ATOM 0 H VAL A 58 4.052 -1.749 6.237 1.00 0.00 H new ATOM 0 HA VAL A 58 3.059 -4.222 4.902 1.00 0.00 H new ATOM 0 HB VAL A 58 2.680 -3.197 2.839 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.255 -1.196 3.266 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.968 -2.457 4.488 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.969 -1.041 4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.498 -0.934 2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.215 -0.760 3.851 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.841 -1.992 2.729 1.00 0.00 H new ATOM 897 N LYS A 59 5.386 -3.984 3.412 1.00 0.00 N ATOM 898 CA LYS A 59 6.816 -4.236 3.093 1.00 0.00 C ATOM 899 C LYS A 59 7.100 -3.726 1.682 1.00 0.00 C ATOM 900 O LYS A 59 6.419 -4.076 0.739 1.00 0.00 O ATOM 901 CB LYS A 59 7.098 -5.738 3.161 1.00 0.00 C ATOM 902 CG LYS A 59 7.912 -6.049 4.417 1.00 0.00 C ATOM 903 CD LYS A 59 8.407 -7.494 4.361 1.00 0.00 C ATOM 904 CE LYS A 59 8.273 -8.131 5.744 1.00 0.00 C ATOM 905 NZ LYS A 59 7.241 -9.205 5.698 1.00 0.00 N ATOM 0 H LYS A 59 4.729 -4.228 2.670 1.00 0.00 H new ATOM 0 HA LYS A 59 7.454 -3.720 3.810 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.161 -6.294 3.176 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.644 -6.057 2.273 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.758 -5.366 4.493 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.300 -5.898 5.306 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.829 -8.060 3.630 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.447 -7.521 4.035 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.231 -8.545 6.060 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.995 -7.376 6.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.149 -9.639 6.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.327 -8.797 5.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.525 -9.930 5.009 1.00 0.00 H new ATOM 919 N VAL A 60 8.095 -2.897 1.528 1.00 0.00 N ATOM 920 CA VAL A 60 8.409 -2.367 0.173 1.00 0.00 C ATOM 921 C VAL A 60 8.538 -3.531 -0.807 1.00 0.00 C ATOM 922 O VAL A 60 9.573 -4.160 -0.905 1.00 0.00 O ATOM 923 CB VAL A 60 9.724 -1.589 0.218 1.00 0.00 C ATOM 924 CG1 VAL A 60 9.975 -0.927 -1.137 1.00 0.00 C ATOM 925 CG2 VAL A 60 9.636 -0.510 1.294 1.00 0.00 C ATOM 0 H VAL A 60 8.701 -2.565 2.278 1.00 0.00 H new ATOM 0 HA VAL A 60 7.609 -1.702 -0.152 1.00 0.00 H new ATOM 0 HB VAL A 60 10.541 -2.273 0.447 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.913 -0.373 -1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.034 -1.693 -1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.157 -0.243 -1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.573 0.047 1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.818 0.171 1.060 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.455 -0.976 2.263 1.00 0.00 H new ATOM 1112 N LEU A 71 3.728 -2.036 -2.964 1.00 0.00 N ATOM 1113 CA LEU A 71 3.785 -2.243 -1.489 1.00 0.00 C ATOM 1114 C LEU A 71 3.146 -3.586 -1.133 1.00 0.00 C ATOM 1115 O LEU A 71 2.220 -4.034 -1.779 1.00 0.00 O ATOM 1116 CB LEU A 71 3.027 -1.113 -0.788 1.00 0.00 C ATOM 1117 CG LEU A 71 3.933 0.115 -0.658 1.00 0.00 C ATOM 1118 CD1 LEU A 71 4.969 -0.129 0.440 1.00 0.00 C ATOM 1119 CD2 LEU A 71 4.650 0.368 -1.988 1.00 0.00 C ATOM 0 HA LEU A 71 4.825 -2.242 -1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.131 -0.857 -1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.698 -1.440 0.198 1.00 0.00 H new ATOM 0 HG LEU A 71 3.328 0.985 -0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.614 0.745 0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.460 -0.306 1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.573 -1.000 0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.294 1.242 -1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.254 -0.502 -2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.913 0.544 -2.771 1.00 0.00 H new ATOM 1131 N SER A 72 3.636 -4.231 -0.110 1.00 0.00 N ATOM 1132 CA SER A 72 3.059 -5.546 0.288 1.00 0.00 C ATOM 1133 C SER A 72 2.353 -5.412 1.640 1.00 0.00 C ATOM 1134 O SER A 72 2.982 -5.307 2.674 1.00 0.00 O ATOM 1135 CB SER A 72 4.181 -6.570 0.395 1.00 0.00 C ATOM 1136 OG SER A 72 3.993 -7.577 -0.590 1.00 0.00 O ATOM 0 H SER A 72 4.411 -3.904 0.467 1.00 0.00 H new ATOM 0 HA SER A 72 2.336 -5.870 -0.460 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.147 -6.084 0.255 1.00 0.00 H new ATOM 0 HB3 SER A 72 4.189 -7.015 1.390 1.00 0.00 H new ATOM 0 HG SER A 72 4.715 -8.237 -0.525 1.00 0.00 H new ATOM 1142 N ILE A 73 1.047 -5.415 1.642 1.00 0.00 N ATOM 1143 CA ILE A 73 0.301 -5.285 2.926 1.00 0.00 C ATOM 1144 C ILE A 73 0.822 -6.330 3.924 1.00 0.00 C ATOM 1145 O ILE A 73 1.174 -7.434 3.556 1.00 0.00 O ATOM 1146 CB ILE A 73 -1.211 -5.462 2.650 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -1.929 -4.148 2.963 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -1.821 -6.580 3.508 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -1.699 -3.156 1.823 1.00 0.00 C ATOM 0 H ILE A 73 0.465 -5.502 0.809 1.00 0.00 H new ATOM 0 HA ILE A 73 0.455 -4.298 3.362 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.334 -5.735 1.602 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.996 -4.327 3.094 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.558 -3.733 3.900 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.884 -6.672 3.284 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.321 -7.523 3.287 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.692 -6.340 4.563 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.211 -2.220 2.046 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.631 -2.968 1.714 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.091 -3.571 0.895 1.00 0.00 H new ATOM 1161 N LYS A 74 0.877 -5.983 5.182 1.00 0.00 N ATOM 1162 CA LYS A 74 1.379 -6.945 6.205 1.00 0.00 C ATOM 1163 C LYS A 74 0.636 -8.276 6.075 1.00 0.00 C ATOM 1164 O LYS A 74 -0.184 -8.460 5.198 1.00 0.00 O ATOM 1165 CB LYS A 74 1.150 -6.368 7.604 1.00 0.00 C ATOM 1166 CG LYS A 74 -0.353 -6.261 7.877 1.00 0.00 C ATOM 1167 CD LYS A 74 -0.640 -6.679 9.321 1.00 0.00 C ATOM 1168 CE LYS A 74 -1.858 -5.914 9.842 1.00 0.00 C ATOM 1169 NZ LYS A 74 -1.549 -5.343 11.183 1.00 0.00 N ATOM 0 H LYS A 74 0.595 -5.073 5.546 1.00 0.00 H new ATOM 0 HA LYS A 74 2.445 -7.112 6.048 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.621 -7.005 8.353 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.615 -5.385 7.683 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.692 -5.239 7.709 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.905 -6.898 7.186 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.823 -7.752 9.370 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.227 -6.474 9.949 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.124 -5.117 9.148 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.718 -6.580 9.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.422 -5.284 11.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.864 -5.954 11.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.145 -4.391 11.070 1.00 0.00 H new