USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 535 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 10 LYS NZ :NH3+ 152:sc= -0.0481 (180deg=-0.0642) USER MOD Single : A 14 SER OG : rot 40:sc= 1.05 USER MOD Single : A 20 CYS SG : rot 138:sc= -0.176 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.17) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -0.228 K(o=-0.23,f=-3.2!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 75:sc= -1.39! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -105:sc= 0.368 USER MOD Single : A 50 GLN : amide:sc= -1.17 K(o=-1.2,f=-3.4!) USER MOD Single : A 51 SER OG : rot 180:sc= -0.201 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.712 X(o=-0.71,f=-0.93) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0706) USER MOD Single : A 69 TYR OH : rot 120:sc= -0.822 USER MOD Single : A 71 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0141) USER MOD ----------------------------------------------------------------- ATOM 136 N PRO A 9 3.625 16.788 1.208 1.00 0.00 N ATOM 137 CA PRO A 9 3.411 15.390 1.661 1.00 0.00 C ATOM 138 C PRO A 9 1.991 15.212 2.205 1.00 0.00 C ATOM 139 O PRO A 9 1.723 15.480 3.361 1.00 0.00 O ATOM 140 CB PRO A 9 4.443 15.208 2.770 1.00 0.00 C ATOM 141 CG PRO A 9 4.710 16.585 3.286 1.00 0.00 C ATOM 142 CD PRO A 9 4.475 17.543 2.147 1.00 0.00 C ATOM 0 HA PRO A 9 3.522 14.661 0.858 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.063 14.559 3.559 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.354 14.747 2.388 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.052 16.816 4.124 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.733 16.667 3.652 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.981 18.453 2.488 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.413 17.845 1.681 1.00 0.00 H new ATOM 150 N LYS A 10 1.080 14.759 1.378 1.00 0.00 N ATOM 151 CA LYS A 10 -0.326 14.560 1.843 1.00 0.00 C ATOM 152 C LYS A 10 -0.368 13.498 2.947 1.00 0.00 C ATOM 153 O LYS A 10 0.654 13.105 3.476 1.00 0.00 O ATOM 154 CB LYS A 10 -1.106 14.090 0.607 1.00 0.00 C ATOM 155 CG LYS A 10 -0.498 12.788 0.058 1.00 0.00 C ATOM 156 CD LYS A 10 0.087 13.029 -1.337 1.00 0.00 C ATOM 157 CE LYS A 10 0.951 11.833 -1.743 1.00 0.00 C ATOM 158 NZ LYS A 10 2.280 12.090 -1.121 1.00 0.00 N ATOM 0 H LYS A 10 1.251 14.519 0.401 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.753 15.472 2.260 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.152 13.930 0.868 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.084 14.863 -0.162 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.281 12.429 0.731 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.262 12.012 0.012 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.716 13.173 -2.060 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.685 13.940 -1.340 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.522 10.897 -1.386 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.031 11.754 -2.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.756 11.185 -0.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.862 12.658 -1.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.151 12.607 -0.228 1.00 0.00 H new ATOM 172 N ARG A 11 -1.541 13.035 3.299 1.00 0.00 N ATOM 173 CA ARG A 11 -1.651 11.999 4.375 1.00 0.00 C ATOM 174 C ARG A 11 -0.876 10.730 3.973 1.00 0.00 C ATOM 175 O ARG A 11 -0.965 10.300 2.840 1.00 0.00 O ATOM 176 CB ARG A 11 -3.152 11.688 4.489 1.00 0.00 C ATOM 177 CG ARG A 11 -3.700 12.247 5.804 1.00 0.00 C ATOM 178 CD ARG A 11 -3.846 13.766 5.692 1.00 0.00 C ATOM 179 NE ARG A 11 -4.075 14.233 7.087 1.00 0.00 N ATOM 180 CZ ARG A 11 -3.540 15.350 7.497 1.00 0.00 C ATOM 181 NH1 ARG A 11 -2.253 15.538 7.385 1.00 0.00 N ATOM 182 NH2 ARG A 11 -4.292 16.280 8.020 1.00 0.00 N ATOM 0 H ARG A 11 -2.428 13.328 2.889 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.234 12.348 5.320 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.688 12.125 3.646 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.314 10.611 4.446 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.665 11.794 6.030 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.030 11.995 6.626 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.951 14.219 5.266 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.679 14.036 5.043 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.650 13.680 7.722 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.665 14.811 6.977 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.835 16.412 7.706 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.298 16.133 8.108 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.874 17.153 8.341 1.00 0.00 H new ATOM 196 N PRO A 12 -0.147 10.158 4.910 1.00 0.00 N ATOM 197 CA PRO A 12 0.617 8.926 4.605 1.00 0.00 C ATOM 198 C PRO A 12 -0.336 7.718 4.564 1.00 0.00 C ATOM 199 O PRO A 12 -1.191 7.593 5.418 1.00 0.00 O ATOM 200 CB PRO A 12 1.595 8.805 5.769 1.00 0.00 C ATOM 201 CG PRO A 12 0.952 9.540 6.902 1.00 0.00 C ATOM 202 CD PRO A 12 0.038 10.583 6.308 1.00 0.00 C ATOM 0 HA PRO A 12 1.122 8.959 3.640 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.772 7.761 6.027 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.562 9.239 5.517 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.389 8.853 7.534 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.708 10.008 7.533 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.913 10.626 6.839 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.480 11.578 6.365 1.00 0.00 H new ATOM 210 N PRO A 13 -0.171 6.863 3.576 1.00 0.00 N ATOM 211 CA PRO A 13 -1.051 5.679 3.462 1.00 0.00 C ATOM 212 C PRO A 13 -0.588 4.581 4.424 1.00 0.00 C ATOM 213 O PRO A 13 0.255 4.810 5.273 1.00 0.00 O ATOM 214 CB PRO A 13 -0.886 5.245 2.012 1.00 0.00 C ATOM 215 CG PRO A 13 0.458 5.757 1.589 1.00 0.00 C ATOM 216 CD PRO A 13 0.823 6.911 2.492 1.00 0.00 C ATOM 0 HA PRO A 13 -2.090 5.888 3.717 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.939 4.160 1.919 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.677 5.658 1.387 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.206 4.967 1.659 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.432 6.081 0.548 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.837 6.806 2.879 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.782 7.860 1.958 1.00 0.00 H new ATOM 224 N SER A 14 -1.133 3.396 4.303 1.00 0.00 N ATOM 225 CA SER A 14 -0.724 2.287 5.217 1.00 0.00 C ATOM 226 C SER A 14 -1.155 0.929 4.651 1.00 0.00 C ATOM 227 O SER A 14 -1.931 0.212 5.254 1.00 0.00 O ATOM 228 CB SER A 14 -1.447 2.578 6.532 1.00 0.00 C ATOM 229 OG SER A 14 -0.585 3.314 7.390 1.00 0.00 O ATOM 0 H SER A 14 -1.842 3.150 3.612 1.00 0.00 H new ATOM 0 HA SER A 14 0.357 2.238 5.344 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.359 3.144 6.341 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.745 1.645 7.010 1.00 0.00 H new ATOM 0 HG SER A 14 -0.090 3.978 6.866 1.00 0.00 H new ATOM 235 N ALA A 15 -0.658 0.568 3.490 1.00 0.00 N ATOM 236 CA ALA A 15 -1.023 -0.744 2.855 1.00 0.00 C ATOM 237 C ALA A 15 -2.506 -0.766 2.476 1.00 0.00 C ATOM 238 O ALA A 15 -2.850 -0.596 1.322 1.00 0.00 O ATOM 239 CB ALA A 15 -0.694 -1.846 3.877 1.00 0.00 C ATOM 0 H ALA A 15 -0.006 1.134 2.947 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.461 -0.900 1.934 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.945 -2.820 3.456 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.369 -1.816 4.115 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.273 -1.684 4.786 1.00 0.00 H new ATOM 245 N PHE A 16 -3.389 -0.992 3.425 1.00 0.00 N ATOM 246 CA PHE A 16 -4.862 -1.045 3.117 1.00 0.00 C ATOM 247 C PHE A 16 -5.297 0.121 2.219 1.00 0.00 C ATOM 248 O PHE A 16 -5.916 -0.077 1.190 1.00 0.00 O ATOM 249 CB PHE A 16 -5.550 -0.939 4.478 1.00 0.00 C ATOM 250 CG PHE A 16 -6.955 -1.482 4.379 1.00 0.00 C ATOM 251 CD1 PHE A 16 -7.166 -2.843 4.129 1.00 0.00 C ATOM 252 CD2 PHE A 16 -8.050 -0.623 4.539 1.00 0.00 C ATOM 253 CE1 PHE A 16 -8.470 -3.345 4.037 1.00 0.00 C ATOM 254 CE2 PHE A 16 -9.353 -1.124 4.448 1.00 0.00 C ATOM 255 CZ PHE A 16 -9.563 -2.485 4.197 1.00 0.00 C ATOM 0 H PHE A 16 -3.153 -1.143 4.406 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.120 -1.957 2.579 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.986 -1.496 5.226 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.573 0.101 4.805 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -6.323 -3.506 4.007 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -7.888 0.427 4.733 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.632 -4.395 3.843 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -10.197 -0.461 4.571 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.569 -2.872 4.127 1.00 0.00 H new ATOM 265 N PHE A 17 -4.974 1.331 2.601 1.00 0.00 N ATOM 266 CA PHE A 17 -5.365 2.512 1.769 1.00 0.00 C ATOM 267 C PHE A 17 -4.798 2.370 0.352 1.00 0.00 C ATOM 268 O PHE A 17 -5.405 2.796 -0.612 1.00 0.00 O ATOM 269 CB PHE A 17 -4.751 3.725 2.473 1.00 0.00 C ATOM 270 CG PHE A 17 -5.559 4.957 2.147 1.00 0.00 C ATOM 271 CD1 PHE A 17 -5.316 5.661 0.961 1.00 0.00 C ATOM 272 CD2 PHE A 17 -6.553 5.397 3.030 1.00 0.00 C ATOM 273 CE1 PHE A 17 -6.066 6.804 0.658 1.00 0.00 C ATOM 274 CE2 PHE A 17 -7.303 6.539 2.728 1.00 0.00 C ATOM 275 CZ PHE A 17 -7.060 7.243 1.542 1.00 0.00 C ATOM 0 H PHE A 17 -4.457 1.553 3.452 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.447 2.606 1.673 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.733 3.563 3.551 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.717 3.860 2.154 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.550 5.322 0.280 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.741 4.854 3.945 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.878 7.347 -0.257 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -8.069 6.878 3.410 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.639 8.124 1.309 1.00 0.00 H new ATOM 285 N LEU A 18 -3.637 1.776 0.225 1.00 0.00 N ATOM 286 CA LEU A 18 -3.023 1.603 -1.128 1.00 0.00 C ATOM 287 C LEU A 18 -3.809 0.567 -1.937 1.00 0.00 C ATOM 288 O LEU A 18 -3.990 0.709 -3.131 1.00 0.00 O ATOM 289 CB LEU A 18 -1.592 1.094 -0.882 1.00 0.00 C ATOM 290 CG LEU A 18 -0.824 2.025 0.074 1.00 0.00 C ATOM 291 CD1 LEU A 18 0.621 1.541 0.191 1.00 0.00 C ATOM 292 CD2 LEU A 18 -0.828 3.461 -0.466 1.00 0.00 C ATOM 0 H LEU A 18 -3.088 1.403 1.000 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.030 2.537 -1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.628 0.089 -0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.060 1.025 -1.831 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.308 2.009 1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.171 2.196 0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.633 0.524 0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.091 1.557 -0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.282 4.109 0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.350 3.483 -1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.856 3.813 -0.556 1.00 0.00 H new ATOM 304 N PHE A 19 -4.265 -0.476 -1.292 1.00 0.00 N ATOM 305 CA PHE A 19 -5.034 -1.538 -2.015 1.00 0.00 C ATOM 306 C PHE A 19 -6.468 -1.073 -2.282 1.00 0.00 C ATOM 307 O PHE A 19 -6.931 -1.080 -3.406 1.00 0.00 O ATOM 308 CB PHE A 19 -5.028 -2.741 -1.070 1.00 0.00 C ATOM 309 CG PHE A 19 -5.628 -3.937 -1.768 1.00 0.00 C ATOM 310 CD1 PHE A 19 -7.008 -4.159 -1.718 1.00 0.00 C ATOM 311 CD2 PHE A 19 -4.801 -4.829 -2.464 1.00 0.00 C ATOM 312 CE1 PHE A 19 -7.564 -5.271 -2.361 1.00 0.00 C ATOM 313 CE2 PHE A 19 -5.356 -5.940 -3.108 1.00 0.00 C ATOM 314 CZ PHE A 19 -6.738 -6.161 -3.057 1.00 0.00 C ATOM 0 H PHE A 19 -4.138 -0.640 -0.293 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.595 -1.775 -2.984 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.008 -2.964 -0.756 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.596 -2.511 -0.169 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.646 -3.471 -1.182 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.735 -4.659 -2.503 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.630 -5.442 -2.320 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.719 -6.627 -3.645 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.166 -7.018 -3.555 1.00 0.00 H new ATOM 324 N CYS A 20 -7.173 -0.677 -1.253 1.00 0.00 N ATOM 325 CA CYS A 20 -8.588 -0.213 -1.433 1.00 0.00 C ATOM 326 C CYS A 20 -8.650 0.945 -2.436 1.00 0.00 C ATOM 327 O CYS A 20 -9.398 0.909 -3.395 1.00 0.00 O ATOM 328 CB CYS A 20 -9.032 0.260 -0.043 1.00 0.00 C ATOM 329 SG CYS A 20 -10.095 -0.990 0.727 1.00 0.00 S ATOM 0 H CYS A 20 -6.831 -0.654 -0.292 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.230 -1.003 -1.823 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.159 0.443 0.584 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -9.569 1.205 -0.126 1.00 0.00 H new ATOM 0 HG CYS A 20 -9.774 -1.120 1.980 1.00 0.00 H new ATOM 335 N SER A 21 -7.870 1.971 -2.214 1.00 0.00 N ATOM 336 CA SER A 21 -7.878 3.144 -3.145 1.00 0.00 C ATOM 337 C SER A 21 -7.498 2.721 -4.572 1.00 0.00 C ATOM 338 O SER A 21 -7.750 3.442 -5.520 1.00 0.00 O ATOM 339 CB SER A 21 -6.834 4.109 -2.582 1.00 0.00 C ATOM 340 OG SER A 21 -6.877 5.327 -3.314 1.00 0.00 O ATOM 0 H SER A 21 -7.226 2.049 -1.427 1.00 0.00 H new ATOM 0 HA SER A 21 -8.868 3.596 -3.209 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.029 4.299 -1.526 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.840 3.667 -2.648 1.00 0.00 H new ATOM 0 HG SER A 21 -6.210 5.948 -2.955 1.00 0.00 H new ATOM 346 N GLU A 22 -6.889 1.570 -4.735 1.00 0.00 N ATOM 347 CA GLU A 22 -6.489 1.121 -6.105 1.00 0.00 C ATOM 348 C GLU A 22 -7.372 -0.032 -6.604 1.00 0.00 C ATOM 349 O GLU A 22 -7.325 -0.386 -7.768 1.00 0.00 O ATOM 350 CB GLU A 22 -5.045 0.657 -5.957 1.00 0.00 C ATOM 351 CG GLU A 22 -4.119 1.873 -5.892 1.00 0.00 C ATOM 352 CD GLU A 22 -4.113 2.583 -7.247 1.00 0.00 C ATOM 353 OE1 GLU A 22 -3.401 2.130 -8.128 1.00 0.00 O ATOM 354 OE2 GLU A 22 -4.819 3.569 -7.381 1.00 0.00 O ATOM 0 H GLU A 22 -6.653 0.925 -3.981 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.601 1.923 -6.835 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.936 0.056 -5.054 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.769 0.021 -6.798 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.454 2.557 -5.112 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.109 1.560 -5.629 1.00 0.00 H new ATOM 361 N TYR A 23 -8.166 -0.629 -5.746 1.00 0.00 N ATOM 362 CA TYR A 23 -9.032 -1.766 -6.194 1.00 0.00 C ATOM 363 C TYR A 23 -10.470 -1.294 -6.438 1.00 0.00 C ATOM 364 O TYR A 23 -11.151 -1.797 -7.310 1.00 0.00 O ATOM 365 CB TYR A 23 -8.984 -2.779 -5.048 1.00 0.00 C ATOM 366 CG TYR A 23 -7.997 -3.873 -5.382 1.00 0.00 C ATOM 367 CD1 TYR A 23 -6.629 -3.584 -5.450 1.00 0.00 C ATOM 368 CD2 TYR A 23 -8.451 -5.175 -5.631 1.00 0.00 C ATOM 369 CE1 TYR A 23 -5.715 -4.596 -5.765 1.00 0.00 C ATOM 370 CE2 TYR A 23 -7.536 -6.187 -5.945 1.00 0.00 C ATOM 371 CZ TYR A 23 -6.168 -5.898 -6.012 1.00 0.00 C ATOM 372 OH TYR A 23 -5.266 -6.895 -6.322 1.00 0.00 O ATOM 0 H TYR A 23 -8.251 -0.380 -4.761 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.685 -2.194 -7.134 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.693 -2.283 -4.122 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -9.974 -3.205 -4.884 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.279 -2.580 -5.259 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.507 -5.398 -5.581 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.660 -4.373 -5.818 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.886 -7.191 -6.136 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.746 -7.738 -6.463 1.00 0.00 H new ATOM 382 N ARG A 24 -10.941 -0.341 -5.670 1.00 0.00 N ATOM 383 CA ARG A 24 -12.340 0.164 -5.847 1.00 0.00 C ATOM 384 C ARG A 24 -12.670 0.468 -7.322 1.00 0.00 C ATOM 385 O ARG A 24 -13.666 -0.016 -7.810 1.00 0.00 O ATOM 386 CB ARG A 24 -12.429 1.436 -5.010 1.00 0.00 C ATOM 387 CG ARG A 24 -12.305 1.088 -3.526 1.00 0.00 C ATOM 388 CD ARG A 24 -11.883 2.332 -2.742 1.00 0.00 C ATOM 389 NE ARG A 24 -12.082 1.973 -1.311 1.00 0.00 N ATOM 390 CZ ARG A 24 -12.659 2.817 -0.500 1.00 0.00 C ATOM 391 NH1 ARG A 24 -13.961 2.876 -0.438 1.00 0.00 N ATOM 392 NH2 ARG A 24 -11.933 3.602 0.248 1.00 0.00 N ATOM 0 H ARG A 24 -10.413 0.112 -4.924 1.00 0.00 H new ATOM 0 HA ARG A 24 -13.060 -0.591 -5.532 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.638 2.128 -5.298 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.377 1.940 -5.197 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.257 0.713 -3.149 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.572 0.293 -3.388 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.843 2.591 -2.943 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.486 3.197 -3.019 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.767 1.067 -0.964 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.528 2.262 -1.023 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.412 3.536 0.196 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.915 3.556 0.199 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.383 4.262 0.882 1.00 0.00 H new ATOM 406 N PRO A 25 -11.835 1.248 -7.996 1.00 0.00 N ATOM 407 CA PRO A 25 -12.108 1.580 -9.427 1.00 0.00 C ATOM 408 C PRO A 25 -12.146 0.306 -10.270 1.00 0.00 C ATOM 409 O PRO A 25 -12.815 0.246 -11.284 1.00 0.00 O ATOM 410 CB PRO A 25 -10.947 2.499 -9.812 1.00 0.00 C ATOM 411 CG PRO A 25 -9.873 2.172 -8.833 1.00 0.00 C ATOM 412 CD PRO A 25 -10.581 1.873 -7.539 1.00 0.00 C ATOM 0 HA PRO A 25 -13.073 2.059 -9.590 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.620 2.318 -10.836 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.234 3.549 -9.750 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.287 1.315 -9.166 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.181 3.006 -8.717 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.001 1.202 -6.905 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.766 2.778 -6.960 1.00 0.00 H new ATOM 420 N LYS A 26 -11.464 -0.722 -9.838 1.00 0.00 N ATOM 421 CA LYS A 26 -11.492 -2.010 -10.591 1.00 0.00 C ATOM 422 C LYS A 26 -12.876 -2.635 -10.432 1.00 0.00 C ATOM 423 O LYS A 26 -13.482 -3.100 -11.377 1.00 0.00 O ATOM 424 CB LYS A 26 -10.447 -2.891 -9.916 1.00 0.00 C ATOM 425 CG LYS A 26 -10.125 -4.087 -10.816 1.00 0.00 C ATOM 426 CD LYS A 26 -11.171 -5.183 -10.601 1.00 0.00 C ATOM 427 CE LYS A 26 -10.622 -6.519 -11.104 1.00 0.00 C ATOM 428 NZ LYS A 26 -11.401 -7.556 -10.369 1.00 0.00 N ATOM 0 H LYS A 26 -10.889 -0.725 -8.996 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.288 -1.884 -11.654 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.542 -2.315 -9.722 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.817 -3.238 -8.951 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.116 -3.777 -11.861 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.130 -4.469 -10.589 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.424 -5.257 -9.543 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.090 -4.933 -11.131 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.751 -6.618 -12.182 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.555 -6.609 -10.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.081 -8.502 -10.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.253 -7.441 -9.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.412 -7.450 -10.587 1.00 0.00 H new ATOM 442 N ILE A 27 -13.371 -2.638 -9.221 1.00 0.00 N ATOM 443 CA ILE A 27 -14.719 -3.219 -8.947 1.00 0.00 C ATOM 444 C ILE A 27 -15.785 -2.501 -9.776 1.00 0.00 C ATOM 445 O ILE A 27 -16.819 -3.057 -10.088 1.00 0.00 O ATOM 446 CB ILE A 27 -14.981 -2.947 -7.450 1.00 0.00 C ATOM 447 CG1 ILE A 27 -13.915 -3.626 -6.575 1.00 0.00 C ATOM 448 CG2 ILE A 27 -16.367 -3.471 -7.057 1.00 0.00 C ATOM 449 CD1 ILE A 27 -13.903 -5.132 -6.825 1.00 0.00 C ATOM 0 H ILE A 27 -12.894 -2.259 -8.403 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.756 -4.279 -9.197 1.00 0.00 H new ATOM 0 HB ILE A 27 -14.935 -1.870 -7.288 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.933 -3.206 -6.795 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.118 -3.427 -5.523 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -16.544 -3.275 -5.999 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -17.129 -2.967 -7.652 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.416 -4.544 -7.240 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -13.143 -5.599 -6.198 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -14.880 -5.549 -6.582 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.677 -5.325 -7.874 1.00 0.00 H new ATOM 461 N LYS A 28 -15.558 -1.254 -10.088 1.00 0.00 N ATOM 462 CA LYS A 28 -16.584 -0.474 -10.843 1.00 0.00 C ATOM 463 C LYS A 28 -16.632 -0.924 -12.306 1.00 0.00 C ATOM 464 O LYS A 28 -17.679 -0.922 -12.926 1.00 0.00 O ATOM 465 CB LYS A 28 -16.188 1.021 -10.745 1.00 0.00 C ATOM 466 CG LYS A 28 -15.593 1.416 -9.370 1.00 0.00 C ATOM 467 CD LYS A 28 -16.317 0.760 -8.178 1.00 0.00 C ATOM 468 CE LYS A 28 -17.820 1.046 -8.250 1.00 0.00 C ATOM 469 NZ LYS A 28 -17.960 2.471 -7.841 1.00 0.00 N ATOM 0 H LYS A 28 -14.708 -0.741 -9.854 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.576 -0.636 -10.422 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.461 1.248 -11.525 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.067 1.635 -10.941 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.540 1.136 -9.344 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.638 2.500 -9.261 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.143 -0.316 -8.185 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.911 1.142 -7.241 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.205 0.885 -9.257 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.380 0.388 -7.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.780 2.572 -7.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.099 2.775 -7.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.099 3.062 -8.685 1.00 0.00 H new ATOM 483 N SER A 29 -15.511 -1.308 -12.862 1.00 0.00 N ATOM 484 CA SER A 29 -15.495 -1.758 -14.289 1.00 0.00 C ATOM 485 C SER A 29 -16.259 -3.078 -14.448 1.00 0.00 C ATOM 486 O SER A 29 -16.726 -3.406 -15.522 1.00 0.00 O ATOM 487 CB SER A 29 -14.018 -1.952 -14.635 1.00 0.00 C ATOM 488 OG SER A 29 -13.884 -2.140 -16.037 1.00 0.00 O ATOM 0 H SER A 29 -14.607 -1.330 -12.391 1.00 0.00 H new ATOM 0 HA SER A 29 -15.976 -1.034 -14.946 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.441 -1.084 -14.316 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.618 -2.814 -14.101 1.00 0.00 H new ATOM 0 HG SER A 29 -12.938 -2.263 -16.262 1.00 0.00 H new ATOM 494 N GLU A 30 -16.382 -3.839 -13.389 1.00 0.00 N ATOM 495 CA GLU A 30 -17.107 -5.142 -13.476 1.00 0.00 C ATOM 496 C GLU A 30 -18.368 -5.137 -12.599 1.00 0.00 C ATOM 497 O GLU A 30 -19.227 -5.987 -12.741 1.00 0.00 O ATOM 498 CB GLU A 30 -16.104 -6.175 -12.965 1.00 0.00 C ATOM 499 CG GLU A 30 -15.235 -6.661 -14.128 1.00 0.00 C ATOM 500 CD GLU A 30 -14.890 -8.137 -13.925 1.00 0.00 C ATOM 501 OE1 GLU A 30 -15.755 -8.966 -14.159 1.00 0.00 O ATOM 502 OE2 GLU A 30 -13.766 -8.415 -13.540 1.00 0.00 O ATOM 0 H GLU A 30 -16.010 -3.613 -12.466 1.00 0.00 H new ATOM 0 HA GLU A 30 -17.445 -5.352 -14.491 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.478 -5.736 -12.188 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -16.630 -7.016 -12.514 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.764 -6.527 -15.072 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.322 -6.068 -14.187 1.00 0.00 H new ATOM 509 N HIS A 31 -18.493 -4.185 -11.707 1.00 0.00 N ATOM 510 CA HIS A 31 -19.709 -4.128 -10.838 1.00 0.00 C ATOM 511 C HIS A 31 -20.287 -2.705 -10.863 1.00 0.00 C ATOM 512 O HIS A 31 -19.852 -1.854 -10.112 1.00 0.00 O ATOM 513 CB HIS A 31 -19.250 -4.498 -9.418 1.00 0.00 C ATOM 514 CG HIS A 31 -18.471 -5.789 -9.434 1.00 0.00 C ATOM 515 ND1 HIS A 31 -17.090 -5.813 -9.542 1.00 0.00 N ATOM 516 CD2 HIS A 31 -18.865 -7.101 -9.349 1.00 0.00 C ATOM 517 CE1 HIS A 31 -16.704 -7.100 -9.520 1.00 0.00 C ATOM 518 NE2 HIS A 31 -17.746 -7.928 -9.404 1.00 0.00 N ATOM 0 H HIS A 31 -17.808 -3.447 -11.544 1.00 0.00 H new ATOM 0 HA HIS A 31 -20.485 -4.812 -11.182 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.632 -3.699 -9.009 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -20.116 -4.597 -8.764 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -16.478 -5.001 -9.623 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -19.886 -7.440 -9.254 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -15.676 -7.425 -9.588 1.00 0.00 H new ATOM 526 N PRO A 32 -21.248 -2.482 -11.733 1.00 0.00 N ATOM 527 CA PRO A 32 -21.866 -1.140 -11.841 1.00 0.00 C ATOM 528 C PRO A 32 -22.805 -0.890 -10.663 1.00 0.00 C ATOM 529 O PRO A 32 -22.869 0.202 -10.129 1.00 0.00 O ATOM 530 CB PRO A 32 -22.637 -1.201 -13.156 1.00 0.00 C ATOM 531 CG PRO A 32 -22.916 -2.652 -13.389 1.00 0.00 C ATOM 532 CD PRO A 32 -21.847 -3.440 -12.679 1.00 0.00 C ATOM 0 HA PRO A 32 -21.137 -0.329 -11.823 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -23.562 -0.628 -13.095 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -22.053 -0.777 -13.973 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -23.903 -2.918 -13.011 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -22.913 -2.876 -14.456 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -22.268 -4.301 -12.159 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -21.105 -3.823 -13.380 1.00 0.00 H new ATOM 540 N GLY A 33 -23.526 -1.897 -10.252 1.00 0.00 N ATOM 541 CA GLY A 33 -24.460 -1.736 -9.103 1.00 0.00 C ATOM 542 C GLY A 33 -23.664 -1.616 -7.797 1.00 0.00 C ATOM 543 O GLY A 33 -24.158 -1.102 -6.815 1.00 0.00 O ATOM 0 H GLY A 33 -23.508 -2.829 -10.665 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -25.077 -0.849 -9.246 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -25.136 -2.589 -9.050 1.00 0.00 H new ATOM 547 N LEU A 34 -22.445 -2.105 -7.779 1.00 0.00 N ATOM 548 CA LEU A 34 -21.597 -2.045 -6.536 1.00 0.00 C ATOM 549 C LEU A 34 -21.523 -0.619 -5.964 1.00 0.00 C ATOM 550 O LEU A 34 -20.613 0.132 -6.264 1.00 0.00 O ATOM 551 CB LEU A 34 -20.197 -2.508 -6.991 1.00 0.00 C ATOM 552 CG LEU A 34 -19.789 -3.813 -6.285 1.00 0.00 C ATOM 553 CD1 LEU A 34 -19.533 -3.537 -4.805 1.00 0.00 C ATOM 554 CD2 LEU A 34 -20.889 -4.877 -6.427 1.00 0.00 C ATOM 0 H LEU A 34 -21.994 -2.548 -8.579 1.00 0.00 H new ATOM 0 HA LEU A 34 -22.012 -2.667 -5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -20.193 -2.658 -8.071 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.465 -1.730 -6.775 1.00 0.00 H new ATOM 0 HG LEU A 34 -18.879 -4.189 -6.753 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.244 -4.463 -4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.731 -2.805 -4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.441 -3.146 -4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -20.579 -5.791 -5.920 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.812 -4.509 -5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -21.058 -5.087 -7.483 1.00 0.00 H new ATOM 566 N SER A 35 -22.470 -0.251 -5.138 1.00 0.00 N ATOM 567 CA SER A 35 -22.458 1.116 -4.535 1.00 0.00 C ATOM 568 C SER A 35 -21.413 1.177 -3.419 1.00 0.00 C ATOM 569 O SER A 35 -20.846 0.170 -3.041 1.00 0.00 O ATOM 570 CB SER A 35 -23.864 1.316 -3.968 1.00 0.00 C ATOM 571 OG SER A 35 -24.822 1.050 -4.984 1.00 0.00 O ATOM 0 H SER A 35 -23.253 -0.840 -4.855 1.00 0.00 H new ATOM 0 HA SER A 35 -22.204 1.890 -5.259 1.00 0.00 H new ATOM 0 HB2 SER A 35 -24.024 0.652 -3.118 1.00 0.00 H new ATOM 0 HB3 SER A 35 -23.979 2.336 -3.601 1.00 0.00 H new ATOM 0 HG SER A 35 -25.725 1.176 -4.624 1.00 0.00 H new ATOM 577 N ILE A 36 -21.155 2.348 -2.886 1.00 0.00 N ATOM 578 CA ILE A 36 -20.141 2.466 -1.789 1.00 0.00 C ATOM 579 C ILE A 36 -20.521 1.549 -0.619 1.00 0.00 C ATOM 580 O ILE A 36 -19.670 1.092 0.121 1.00 0.00 O ATOM 581 CB ILE A 36 -20.171 3.940 -1.354 1.00 0.00 C ATOM 582 CG1 ILE A 36 -19.743 4.842 -2.526 1.00 0.00 C ATOM 583 CG2 ILE A 36 -19.217 4.151 -0.170 1.00 0.00 C ATOM 584 CD1 ILE A 36 -18.324 4.485 -2.985 1.00 0.00 C ATOM 0 H ILE A 36 -21.600 3.223 -3.161 1.00 0.00 H new ATOM 0 HA ILE A 36 -19.146 2.168 -2.119 1.00 0.00 H new ATOM 0 HB ILE A 36 -21.186 4.200 -1.053 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -20.440 4.726 -3.356 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -19.781 5.888 -2.221 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -19.241 5.197 0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -19.528 3.522 0.664 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -18.203 3.883 -0.468 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -18.036 5.132 -3.814 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.628 4.624 -2.158 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -18.298 3.445 -3.310 1.00 0.00 H new ATOM 596 N GLY A 37 -21.791 1.274 -0.454 1.00 0.00 N ATOM 597 CA GLY A 37 -22.229 0.383 0.659 1.00 0.00 C ATOM 598 C GLY A 37 -21.582 -0.992 0.496 1.00 0.00 C ATOM 599 O GLY A 37 -20.795 -1.416 1.317 1.00 0.00 O ATOM 0 H GLY A 37 -22.543 1.630 -1.044 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -21.948 0.817 1.619 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -23.315 0.288 0.657 1.00 0.00 H new ATOM 603 N ASP A 38 -21.904 -1.685 -0.566 1.00 0.00 N ATOM 604 CA ASP A 38 -21.307 -3.035 -0.793 1.00 0.00 C ATOM 605 C ASP A 38 -19.845 -2.911 -1.233 1.00 0.00 C ATOM 606 O ASP A 38 -19.028 -3.749 -0.914 1.00 0.00 O ATOM 607 CB ASP A 38 -22.145 -3.664 -1.908 1.00 0.00 C ATOM 608 CG ASP A 38 -21.934 -5.179 -1.914 1.00 0.00 C ATOM 609 OD1 ASP A 38 -22.285 -5.810 -0.931 1.00 0.00 O ATOM 610 OD2 ASP A 38 -21.425 -5.682 -2.902 1.00 0.00 O ATOM 0 H ASP A 38 -22.555 -1.374 -1.287 1.00 0.00 H new ATOM 0 HA ASP A 38 -21.314 -3.638 0.115 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -23.200 -3.434 -1.758 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -21.861 -3.243 -2.872 1.00 0.00 H new ATOM 615 N THR A 39 -19.506 -1.868 -1.948 1.00 0.00 N ATOM 616 CA THR A 39 -18.089 -1.697 -2.399 1.00 0.00 C ATOM 617 C THR A 39 -17.177 -1.462 -1.194 1.00 0.00 C ATOM 618 O THR A 39 -16.035 -1.882 -1.179 1.00 0.00 O ATOM 619 CB THR A 39 -18.094 -0.475 -3.323 1.00 0.00 C ATOM 620 OG1 THR A 39 -18.976 -0.711 -4.412 1.00 0.00 O ATOM 621 CG2 THR A 39 -16.680 -0.232 -3.858 1.00 0.00 C ATOM 0 H THR A 39 -20.146 -1.129 -2.239 1.00 0.00 H new ATOM 0 HA THR A 39 -17.715 -2.582 -2.913 1.00 0.00 H new ATOM 0 HB THR A 39 -18.427 0.401 -2.766 1.00 0.00 H new ATOM 0 HG1 THR A 39 -19.903 -0.625 -4.107 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.684 0.637 -4.515 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.001 -0.053 -3.024 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.347 -1.107 -4.416 1.00 0.00 H new ATOM 629 N ALA A 40 -17.675 -0.795 -0.187 1.00 0.00 N ATOM 630 CA ALA A 40 -16.840 -0.527 1.022 1.00 0.00 C ATOM 631 C ALA A 40 -16.624 -1.823 1.805 1.00 0.00 C ATOM 632 O ALA A 40 -15.602 -2.009 2.440 1.00 0.00 O ATOM 633 CB ALA A 40 -17.641 0.475 1.855 1.00 0.00 C ATOM 0 H ALA A 40 -18.624 -0.424 -0.149 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.855 -0.138 0.764 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -17.087 0.719 2.762 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -17.804 1.383 1.274 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -18.603 0.038 2.124 1.00 0.00 H new ATOM 639 N LYS A 41 -17.581 -2.715 1.769 1.00 0.00 N ATOM 640 CA LYS A 41 -17.436 -3.999 2.520 1.00 0.00 C ATOM 641 C LYS A 41 -17.062 -5.162 1.584 1.00 0.00 C ATOM 642 O LYS A 41 -16.744 -6.243 2.044 1.00 0.00 O ATOM 643 CB LYS A 41 -18.793 -4.243 3.197 1.00 0.00 C ATOM 644 CG LYS A 41 -19.886 -4.489 2.154 1.00 0.00 C ATOM 645 CD LYS A 41 -21.257 -4.483 2.837 1.00 0.00 C ATOM 646 CE LYS A 41 -21.576 -3.075 3.360 1.00 0.00 C ATOM 647 NZ LYS A 41 -21.948 -3.267 4.790 1.00 0.00 N ATOM 0 H LYS A 41 -18.455 -2.610 1.253 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.630 -3.938 3.252 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -18.722 -5.102 3.865 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -19.058 -3.382 3.811 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -19.848 -3.718 1.384 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -19.720 -5.445 1.657 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -22.025 -4.801 2.132 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -21.265 -5.197 3.661 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -20.715 -2.414 3.262 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -22.392 -2.621 2.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -22.180 -2.347 5.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -22.775 -3.895 4.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -21.150 -3.694 5.302 1.00 0.00 H new ATOM 661 N LYS A 42 -17.075 -4.956 0.286 1.00 0.00 N ATOM 662 CA LYS A 42 -16.696 -6.060 -0.653 1.00 0.00 C ATOM 663 C LYS A 42 -15.172 -6.065 -0.881 1.00 0.00 C ATOM 664 O LYS A 42 -14.656 -6.856 -1.648 1.00 0.00 O ATOM 665 CB LYS A 42 -17.450 -5.738 -1.953 1.00 0.00 C ATOM 666 CG LYS A 42 -17.206 -6.822 -3.013 1.00 0.00 C ATOM 667 CD LYS A 42 -17.704 -8.184 -2.501 1.00 0.00 C ATOM 668 CE LYS A 42 -18.778 -8.737 -3.445 1.00 0.00 C ATOM 669 NZ LYS A 42 -18.088 -9.792 -4.239 1.00 0.00 N ATOM 0 H LYS A 42 -17.330 -4.075 -0.161 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.953 -7.047 -0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -18.518 -5.658 -1.748 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -17.126 -4.770 -2.336 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.723 -6.561 -3.937 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.143 -6.879 -3.248 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -16.871 -8.884 -2.435 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -18.111 -8.077 -1.496 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -19.619 -9.149 -2.887 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -19.177 -7.955 -4.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.760 -10.218 -4.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.296 -9.369 -4.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -17.725 -10.527 -3.599 1.00 0.00 H new ATOM 683 N LEU A 43 -14.444 -5.204 -0.204 1.00 0.00 N ATOM 684 CA LEU A 43 -12.962 -5.177 -0.369 1.00 0.00 C ATOM 685 C LEU A 43 -12.303 -5.875 0.822 1.00 0.00 C ATOM 686 O LEU A 43 -11.278 -6.517 0.690 1.00 0.00 O ATOM 687 CB LEU A 43 -12.591 -3.693 -0.397 1.00 0.00 C ATOM 688 CG LEU A 43 -12.702 -3.167 -1.829 1.00 0.00 C ATOM 689 CD1 LEU A 43 -12.797 -1.641 -1.807 1.00 0.00 C ATOM 690 CD2 LEU A 43 -11.463 -3.588 -2.623 1.00 0.00 C ATOM 0 H LEU A 43 -14.818 -4.521 0.455 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.630 -5.690 -1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.252 -3.129 0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.576 -3.554 -0.025 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.595 -3.580 -2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.876 -1.267 -2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.678 -1.339 -1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.905 -1.228 -1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.541 -3.214 -3.644 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.571 -3.175 -2.152 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.394 -4.676 -2.639 1.00 0.00 H new ATOM 702 N GLY A 44 -12.895 -5.755 1.984 1.00 0.00 N ATOM 703 CA GLY A 44 -12.322 -6.410 3.195 1.00 0.00 C ATOM 704 C GLY A 44 -12.452 -7.927 3.062 1.00 0.00 C ATOM 705 O GLY A 44 -11.635 -8.675 3.564 1.00 0.00 O ATOM 0 H GLY A 44 -13.754 -5.229 2.144 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.274 -6.133 3.310 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.843 -6.066 4.089 1.00 0.00 H new ATOM 709 N GLU A 45 -13.478 -8.387 2.385 1.00 0.00 N ATOM 710 CA GLU A 45 -13.672 -9.862 2.210 1.00 0.00 C ATOM 711 C GLU A 45 -12.436 -10.485 1.551 1.00 0.00 C ATOM 712 O GLU A 45 -11.941 -11.508 1.983 1.00 0.00 O ATOM 713 CB GLU A 45 -14.893 -10.004 1.298 1.00 0.00 C ATOM 714 CG GLU A 45 -15.474 -11.413 1.437 1.00 0.00 C ATOM 715 CD GLU A 45 -16.381 -11.472 2.668 1.00 0.00 C ATOM 716 OE1 GLU A 45 -17.402 -10.806 2.660 1.00 0.00 O ATOM 717 OE2 GLU A 45 -16.038 -12.184 3.597 1.00 0.00 O ATOM 0 H GLU A 45 -14.190 -7.804 1.946 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.817 -10.371 3.163 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.646 -9.261 1.562 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.610 -9.817 0.262 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.040 -11.675 0.543 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.669 -12.142 1.530 1.00 0.00 H new ATOM 724 N MET A 46 -11.935 -9.865 0.514 1.00 0.00 N ATOM 725 CA MET A 46 -10.724 -10.408 -0.174 1.00 0.00 C ATOM 726 C MET A 46 -9.476 -10.079 0.646 1.00 0.00 C ATOM 727 O MET A 46 -8.658 -10.936 0.920 1.00 0.00 O ATOM 728 CB MET A 46 -10.674 -9.697 -1.528 1.00 0.00 C ATOM 729 CG MET A 46 -11.939 -10.016 -2.325 1.00 0.00 C ATOM 730 SD MET A 46 -11.942 -9.061 -3.862 1.00 0.00 S ATOM 731 CE MET A 46 -12.899 -10.231 -4.856 1.00 0.00 C ATOM 0 H MET A 46 -12.312 -9.006 0.113 1.00 0.00 H new ATOM 0 HA MET A 46 -10.764 -11.491 -0.290 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.587 -8.620 -1.381 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.792 -10.015 -2.084 1.00 0.00 H new ATOM 0 HG2 MET A 46 -11.982 -11.082 -2.547 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.823 -9.777 -1.734 1.00 0.00 H new ATOM 0 HE1 MET A 46 -13.024 -9.835 -5.864 1.00 0.00 H new ATOM 0 HE2 MET A 46 -12.372 -11.184 -4.903 1.00 0.00 H new ATOM 0 HE3 MET A 46 -13.878 -10.380 -4.401 1.00 0.00 H new ATOM 741 N TRP A 47 -9.327 -8.837 1.037 1.00 0.00 N ATOM 742 CA TRP A 47 -8.129 -8.431 1.841 1.00 0.00 C ATOM 743 C TRP A 47 -7.995 -9.299 3.099 1.00 0.00 C ATOM 744 O TRP A 47 -6.921 -9.422 3.658 1.00 0.00 O ATOM 745 CB TRP A 47 -8.374 -6.971 2.227 1.00 0.00 C ATOM 746 CG TRP A 47 -7.164 -6.432 2.921 1.00 0.00 C ATOM 747 CD1 TRP A 47 -7.042 -6.272 4.259 1.00 0.00 C ATOM 748 CD2 TRP A 47 -5.904 -5.987 2.339 1.00 0.00 C ATOM 749 NE1 TRP A 47 -5.789 -5.755 4.536 1.00 0.00 N ATOM 750 CE2 TRP A 47 -5.050 -5.562 3.385 1.00 0.00 C ATOM 751 CE3 TRP A 47 -5.423 -5.910 1.020 1.00 0.00 C ATOM 752 CZ2 TRP A 47 -3.766 -5.079 3.131 1.00 0.00 C ATOM 753 CZ3 TRP A 47 -4.131 -5.425 0.760 1.00 0.00 C ATOM 754 CH2 TRP A 47 -3.305 -5.010 1.814 1.00 0.00 C ATOM 0 H TRP A 47 -9.984 -8.084 0.834 1.00 0.00 H new ATOM 0 HA TRP A 47 -7.206 -8.555 1.274 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.591 -6.379 1.337 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.244 -6.897 2.879 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.799 -6.509 4.991 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.452 -5.542 5.475 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -6.052 -6.226 0.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.133 -4.761 3.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.772 -5.371 -0.257 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.313 -4.637 1.608 1.00 0.00 H new ATOM 765 N SER A 48 -9.069 -9.905 3.545 1.00 0.00 N ATOM 766 CA SER A 48 -8.994 -10.767 4.762 1.00 0.00 C ATOM 767 C SER A 48 -8.640 -12.201 4.363 1.00 0.00 C ATOM 768 O SER A 48 -7.932 -12.894 5.070 1.00 0.00 O ATOM 769 CB SER A 48 -10.392 -10.709 5.374 1.00 0.00 C ATOM 770 OG SER A 48 -11.344 -11.150 4.414 1.00 0.00 O ATOM 0 H SER A 48 -9.993 -9.839 3.118 1.00 0.00 H new ATOM 0 HA SER A 48 -8.230 -10.432 5.464 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.438 -11.337 6.264 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.621 -9.691 5.690 1.00 0.00 H new ATOM 0 HG SER A 48 -11.837 -10.379 4.065 1.00 0.00 H new ATOM 776 N GLU A 49 -9.126 -12.646 3.231 1.00 0.00 N ATOM 777 CA GLU A 49 -8.815 -14.035 2.772 1.00 0.00 C ATOM 778 C GLU A 49 -7.309 -14.184 2.554 1.00 0.00 C ATOM 779 O GLU A 49 -6.735 -15.227 2.806 1.00 0.00 O ATOM 780 CB GLU A 49 -9.568 -14.204 1.450 1.00 0.00 C ATOM 781 CG GLU A 49 -10.855 -14.998 1.685 1.00 0.00 C ATOM 782 CD GLU A 49 -11.804 -14.184 2.568 1.00 0.00 C ATOM 783 OE1 GLU A 49 -11.434 -13.898 3.695 1.00 0.00 O ATOM 784 OE2 GLU A 49 -12.884 -13.862 2.102 1.00 0.00 O ATOM 0 H GLU A 49 -9.725 -12.108 2.605 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.113 -14.788 3.502 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.804 -13.227 1.028 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.938 -14.720 0.726 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.333 -15.226 0.732 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.625 -15.951 2.162 1.00 0.00 H new ATOM 791 N GLN A 50 -6.665 -13.140 2.096 1.00 0.00 N ATOM 792 CA GLN A 50 -5.188 -13.206 1.865 1.00 0.00 C ATOM 793 C GLN A 50 -4.466 -13.447 3.192 1.00 0.00 C ATOM 794 O GLN A 50 -4.992 -13.163 4.253 1.00 0.00 O ATOM 795 CB GLN A 50 -4.807 -11.842 1.286 1.00 0.00 C ATOM 796 CG GLN A 50 -5.354 -11.723 -0.139 1.00 0.00 C ATOM 797 CD GLN A 50 -4.545 -12.625 -1.073 1.00 0.00 C ATOM 798 OE1 GLN A 50 -3.331 -12.638 -1.023 1.00 0.00 O ATOM 799 NE2 GLN A 50 -5.171 -13.384 -1.930 1.00 0.00 N ATOM 0 H GLN A 50 -7.098 -12.244 1.872 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.910 -14.018 1.193 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.210 -11.044 1.910 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.723 -11.726 1.282 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.406 -12.008 -0.161 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.297 -10.688 -0.476 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.190 -13.373 -1.972 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.641 -13.988 -2.558 1.00 0.00 H new ATOM 808 N SER A 51 -3.268 -13.968 3.141 1.00 0.00 N ATOM 809 CA SER A 51 -2.506 -14.230 4.399 1.00 0.00 C ATOM 810 C SER A 51 -1.006 -14.047 4.160 1.00 0.00 C ATOM 811 O SER A 51 -0.353 -14.892 3.579 1.00 0.00 O ATOM 812 CB SER A 51 -2.820 -15.682 4.757 1.00 0.00 C ATOM 813 OG SER A 51 -4.226 -15.836 4.903 1.00 0.00 O ATOM 0 H SER A 51 -2.783 -14.224 2.281 1.00 0.00 H new ATOM 0 HA SER A 51 -2.783 -13.544 5.199 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.448 -16.349 3.979 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.314 -15.958 5.682 1.00 0.00 H new ATOM 0 HG SER A 51 -4.431 -16.767 5.131 1.00 0.00 H new ATOM 819 N ALA A 52 -0.455 -12.946 4.610 1.00 0.00 N ATOM 820 CA ALA A 52 1.010 -12.685 4.424 1.00 0.00 C ATOM 821 C ALA A 52 1.411 -12.828 2.950 1.00 0.00 C ATOM 822 O ALA A 52 2.345 -13.536 2.620 1.00 0.00 O ATOM 823 CB ALA A 52 1.722 -13.736 5.281 1.00 0.00 C ATOM 0 H ALA A 52 -0.961 -12.210 5.103 1.00 0.00 H new ATOM 0 HA ALA A 52 1.277 -11.670 4.719 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.801 -13.606 5.194 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.425 -13.618 6.323 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.448 -14.733 4.936 1.00 0.00 H new ATOM 829 N LYS A 53 0.717 -12.156 2.067 1.00 0.00 N ATOM 830 CA LYS A 53 1.059 -12.240 0.614 1.00 0.00 C ATOM 831 C LYS A 53 0.675 -10.933 -0.090 1.00 0.00 C ATOM 832 O LYS A 53 1.530 -10.175 -0.509 1.00 0.00 O ATOM 833 CB LYS A 53 0.243 -13.419 0.073 1.00 0.00 C ATOM 834 CG LYS A 53 1.095 -14.221 -0.914 1.00 0.00 C ATOM 835 CD LYS A 53 1.959 -15.224 -0.148 1.00 0.00 C ATOM 836 CE LYS A 53 1.109 -16.433 0.247 1.00 0.00 C ATOM 837 NZ LYS A 53 2.071 -17.398 0.848 1.00 0.00 N ATOM 0 H LYS A 53 -0.074 -11.551 2.290 1.00 0.00 H new ATOM 0 HA LYS A 53 2.126 -12.387 0.446 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.080 -14.059 0.894 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.658 -13.055 -0.421 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.453 -14.745 -1.622 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.728 -13.549 -1.494 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.799 -15.543 -0.765 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.378 -14.754 0.742 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.332 -16.154 0.959 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.607 -16.863 -0.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.563 -18.256 1.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.795 -17.650 0.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.528 -16.963 1.675 1.00 0.00 H new ATOM 851 N ASP A 54 -0.599 -10.668 -0.232 1.00 0.00 N ATOM 852 CA ASP A 54 -1.033 -9.411 -0.918 1.00 0.00 C ATOM 853 C ASP A 54 -0.592 -8.184 -0.115 1.00 0.00 C ATOM 854 O ASP A 54 -0.240 -7.163 -0.678 1.00 0.00 O ATOM 855 CB ASP A 54 -2.560 -9.489 -0.978 1.00 0.00 C ATOM 856 CG ASP A 54 -3.089 -8.418 -1.935 1.00 0.00 C ATOM 857 OD1 ASP A 54 -2.823 -8.527 -3.120 1.00 0.00 O ATOM 858 OD2 ASP A 54 -3.750 -7.506 -1.465 1.00 0.00 O ATOM 0 H ASP A 54 -1.357 -11.266 0.097 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.592 -9.317 -1.910 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.871 -10.478 -1.314 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.982 -9.343 0.017 1.00 0.00 H new ATOM 863 N LYS A 55 -0.619 -8.269 1.192 1.00 0.00 N ATOM 864 CA LYS A 55 -0.215 -7.100 2.032 1.00 0.00 C ATOM 865 C LYS A 55 1.269 -7.171 2.411 1.00 0.00 C ATOM 866 O LYS A 55 1.705 -6.531 3.349 1.00 0.00 O ATOM 867 CB LYS A 55 -1.106 -7.198 3.271 1.00 0.00 C ATOM 868 CG LYS A 55 -0.778 -8.468 4.075 1.00 0.00 C ATOM 869 CD LYS A 55 -0.016 -8.090 5.349 1.00 0.00 C ATOM 870 CE LYS A 55 0.918 -9.235 5.745 1.00 0.00 C ATOM 871 NZ LYS A 55 1.681 -8.721 6.917 1.00 0.00 N ATOM 0 H LYS A 55 -0.904 -9.098 1.714 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.337 -6.153 1.506 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.964 -6.318 3.898 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.154 -7.211 2.972 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.697 -8.995 4.332 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.179 -9.149 3.470 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.559 -7.178 5.185 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.718 -7.883 6.157 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.355 -10.132 6.003 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.585 -9.502 4.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.344 -9.451 7.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.212 -7.871 6.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.020 -8.482 7.684 1.00 0.00 H new ATOM 885 N GLN A 56 2.043 -7.936 1.692 1.00 0.00 N ATOM 886 CA GLN A 56 3.501 -8.042 2.008 1.00 0.00 C ATOM 887 C GLN A 56 4.303 -7.010 1.195 1.00 0.00 C ATOM 888 O GLN A 56 5.071 -6.261 1.761 1.00 0.00 O ATOM 889 CB GLN A 56 3.903 -9.470 1.631 1.00 0.00 C ATOM 890 CG GLN A 56 4.036 -10.323 2.895 1.00 0.00 C ATOM 891 CD GLN A 56 4.959 -11.511 2.615 1.00 0.00 C ATOM 892 OE1 GLN A 56 4.558 -12.473 1.991 1.00 0.00 O ATOM 893 NE2 GLN A 56 6.187 -11.484 3.055 1.00 0.00 N ATOM 0 H GLN A 56 1.731 -8.494 0.897 1.00 0.00 H new ATOM 0 HA GLN A 56 3.705 -7.838 3.059 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.157 -9.904 0.966 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.848 -9.460 1.087 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.437 -9.722 3.711 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.055 -10.678 3.212 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.523 -10.676 3.579 1.00 0.00 H new ATOM 0 HE22 GLN A 56 6.811 -12.271 2.875 1.00 0.00 H new ATOM 902 N PRO A 57 4.109 -6.991 -0.110 1.00 0.00 N ATOM 903 CA PRO A 57 4.842 -6.022 -0.955 1.00 0.00 C ATOM 904 C PRO A 57 4.127 -4.665 -0.950 1.00 0.00 C ATOM 905 O PRO A 57 4.739 -3.630 -1.130 1.00 0.00 O ATOM 906 CB PRO A 57 4.795 -6.645 -2.341 1.00 0.00 C ATOM 907 CG PRO A 57 3.577 -7.510 -2.346 1.00 0.00 C ATOM 908 CD PRO A 57 3.224 -7.845 -0.916 1.00 0.00 C ATOM 0 HA PRO A 57 5.859 -5.838 -0.609 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.736 -5.879 -3.114 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.693 -7.230 -2.540 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.748 -6.994 -2.830 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.762 -8.421 -2.915 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.174 -7.638 -0.707 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.389 -8.901 -0.703 1.00 0.00 H new ATOM 916 N TYR A 58 2.831 -4.671 -0.765 1.00 0.00 N ATOM 917 CA TYR A 58 2.059 -3.391 -0.768 1.00 0.00 C ATOM 918 C TYR A 58 2.086 -2.708 0.612 1.00 0.00 C ATOM 919 O TYR A 58 1.482 -1.669 0.795 1.00 0.00 O ATOM 920 CB TYR A 58 0.623 -3.800 -1.140 1.00 0.00 C ATOM 921 CG TYR A 58 0.155 -3.004 -2.338 1.00 0.00 C ATOM 922 CD1 TYR A 58 0.597 -3.348 -3.622 1.00 0.00 C ATOM 923 CD2 TYR A 58 -0.719 -1.926 -2.165 1.00 0.00 C ATOM 924 CE1 TYR A 58 0.164 -2.613 -4.731 1.00 0.00 C ATOM 925 CE2 TYR A 58 -1.152 -1.190 -3.274 1.00 0.00 C ATOM 926 CZ TYR A 58 -0.710 -1.534 -4.558 1.00 0.00 C ATOM 927 OH TYR A 58 -1.138 -0.810 -5.652 1.00 0.00 O ATOM 0 H TYR A 58 2.272 -5.510 -0.611 1.00 0.00 H new ATOM 0 HA TYR A 58 2.484 -2.669 -1.466 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.586 -4.866 -1.364 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.044 -3.628 -0.295 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.272 -4.180 -3.756 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.060 -1.661 -1.175 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.504 -2.879 -5.721 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.827 -0.357 -3.140 1.00 0.00 H new ATOM 0 HH TYR A 58 -1.741 -0.096 -5.356 1.00 0.00 H new ATOM 937 N GLU A 59 2.777 -3.271 1.579 1.00 0.00 N ATOM 938 CA GLU A 59 2.824 -2.626 2.931 1.00 0.00 C ATOM 939 C GLU A 59 4.084 -1.764 3.077 1.00 0.00 C ATOM 940 O GLU A 59 4.112 -0.828 3.854 1.00 0.00 O ATOM 941 CB GLU A 59 2.828 -3.779 3.944 1.00 0.00 C ATOM 942 CG GLU A 59 4.069 -4.665 3.749 1.00 0.00 C ATOM 943 CD GLU A 59 5.013 -4.507 4.945 1.00 0.00 C ATOM 944 OE1 GLU A 59 5.590 -3.442 5.082 1.00 0.00 O ATOM 945 OE2 GLU A 59 5.142 -5.455 5.702 1.00 0.00 O ATOM 0 H GLU A 59 3.304 -4.140 1.491 1.00 0.00 H new ATOM 0 HA GLU A 59 1.974 -1.962 3.088 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.815 -3.380 4.958 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.925 -4.378 3.826 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.770 -5.708 3.646 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.584 -4.388 2.829 1.00 0.00 H new ATOM 952 N GLN A 60 5.118 -2.063 2.331 1.00 0.00 N ATOM 953 CA GLN A 60 6.370 -1.248 2.422 1.00 0.00 C ATOM 954 C GLN A 60 6.185 0.091 1.696 1.00 0.00 C ATOM 955 O GLN A 60 6.888 1.047 1.960 1.00 0.00 O ATOM 956 CB GLN A 60 7.465 -2.087 1.751 1.00 0.00 C ATOM 957 CG GLN A 60 7.076 -2.402 0.305 1.00 0.00 C ATOM 958 CD GLN A 60 8.334 -2.735 -0.500 1.00 0.00 C ATOM 959 OE1 GLN A 60 9.024 -1.849 -0.967 1.00 0.00 O ATOM 960 NE2 GLN A 60 8.664 -3.984 -0.686 1.00 0.00 N ATOM 0 H GLN A 60 5.150 -2.834 1.664 1.00 0.00 H new ATOM 0 HA GLN A 60 6.629 -1.015 3.455 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.411 -1.547 1.771 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.615 -3.013 2.305 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.381 -3.242 0.279 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.562 -1.549 -0.139 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.086 -4.728 -0.295 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.500 -4.216 -1.223 1.00 0.00 H new ATOM 969 N LYS A 61 5.238 0.166 0.788 1.00 0.00 N ATOM 970 CA LYS A 61 5.001 1.446 0.048 1.00 0.00 C ATOM 971 C LYS A 61 4.642 2.561 1.035 1.00 0.00 C ATOM 972 O LYS A 61 5.151 3.663 0.948 1.00 0.00 O ATOM 973 CB LYS A 61 3.828 1.153 -0.894 1.00 0.00 C ATOM 974 CG LYS A 61 3.491 2.402 -1.712 1.00 0.00 C ATOM 975 CD LYS A 61 2.720 1.998 -2.969 1.00 0.00 C ATOM 976 CE LYS A 61 2.663 3.182 -3.936 1.00 0.00 C ATOM 977 NZ LYS A 61 3.840 3.004 -4.832 1.00 0.00 N ATOM 0 H LYS A 61 4.621 -0.604 0.529 1.00 0.00 H new ATOM 0 HA LYS A 61 5.882 1.779 -0.501 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.083 0.329 -1.561 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.957 0.839 -0.318 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.896 3.091 -1.114 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.406 2.927 -1.987 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.204 1.147 -3.448 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.711 1.683 -2.704 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.732 3.184 -4.503 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.713 4.131 -3.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.869 3.779 -5.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.712 3.013 -4.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.761 2.096 -5.332 1.00 0.00 H new ATOM 991 N ALA A 62 3.778 2.278 1.978 1.00 0.00 N ATOM 992 CA ALA A 62 3.396 3.318 2.983 1.00 0.00 C ATOM 993 C ALA A 62 4.564 3.596 3.940 1.00 0.00 C ATOM 994 O ALA A 62 4.534 4.547 4.698 1.00 0.00 O ATOM 995 CB ALA A 62 2.207 2.728 3.744 1.00 0.00 C ATOM 0 H ALA A 62 3.321 1.374 2.095 1.00 0.00 H new ATOM 0 HA ALA A 62 3.144 4.267 2.510 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.871 3.437 4.501 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.393 2.527 3.048 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.509 1.798 4.227 1.00 0.00 H new ATOM 1001 N ALA A 63 5.601 2.787 3.901 1.00 0.00 N ATOM 1002 CA ALA A 63 6.771 3.024 4.796 1.00 0.00 C ATOM 1003 C ALA A 63 7.764 3.994 4.134 1.00 0.00 C ATOM 1004 O ALA A 63 8.827 4.256 4.665 1.00 0.00 O ATOM 1005 CB ALA A 63 7.411 1.647 4.982 1.00 0.00 C ATOM 0 H ALA A 63 5.682 1.976 3.288 1.00 0.00 H new ATOM 0 HA ALA A 63 6.478 3.472 5.746 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.282 1.735 5.631 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.689 0.968 5.435 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.719 1.255 4.013 1.00 0.00 H new ATOM 1011 N LYS A 64 7.420 4.542 2.989 1.00 0.00 N ATOM 1012 CA LYS A 64 8.329 5.506 2.304 1.00 0.00 C ATOM 1013 C LYS A 64 7.782 6.922 2.470 1.00 0.00 C ATOM 1014 O LYS A 64 8.521 7.883 2.565 1.00 0.00 O ATOM 1015 CB LYS A 64 8.298 5.093 0.835 1.00 0.00 C ATOM 1016 CG LYS A 64 9.150 3.838 0.637 1.00 0.00 C ATOM 1017 CD LYS A 64 10.633 4.210 0.706 1.00 0.00 C ATOM 1018 CE LYS A 64 11.139 4.557 -0.695 1.00 0.00 C ATOM 1019 NZ LYS A 64 12.620 4.643 -0.559 1.00 0.00 N ATOM 0 H LYS A 64 6.543 4.358 2.502 1.00 0.00 H new ATOM 0 HA LYS A 64 9.341 5.495 2.708 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.272 4.901 0.522 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.675 5.903 0.211 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.913 3.100 1.404 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.924 3.380 -0.326 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.775 5.058 1.376 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.208 3.380 1.116 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.853 3.794 -1.418 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.719 5.500 -1.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.040 4.878 -1.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.863 5.382 0.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.992 3.729 -0.232 1.00 0.00 H new ATOM 1033 N LEU A 65 6.481 7.045 2.508 1.00 0.00 N ATOM 1034 CA LEU A 65 5.846 8.387 2.671 1.00 0.00 C ATOM 1035 C LEU A 65 5.862 8.831 4.145 1.00 0.00 C ATOM 1036 O LEU A 65 5.347 9.882 4.481 1.00 0.00 O ATOM 1037 CB LEU A 65 4.406 8.198 2.188 1.00 0.00 C ATOM 1038 CG LEU A 65 4.338 8.441 0.679 1.00 0.00 C ATOM 1039 CD1 LEU A 65 4.722 7.158 -0.061 1.00 0.00 C ATOM 1040 CD2 LEU A 65 2.913 8.843 0.291 1.00 0.00 C ATOM 0 H LEU A 65 5.826 6.267 2.432 1.00 0.00 H new ATOM 0 HA LEU A 65 6.377 9.157 2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.062 7.190 2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.743 8.889 2.709 1.00 0.00 H new ATOM 0 HG LEU A 65 5.029 9.239 0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.674 7.330 -1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.736 6.868 0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.030 6.361 0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.864 9.016 -0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.223 8.044 0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.636 9.756 0.819 1.00 0.00 H new ATOM 1052 N LYS A 66 6.451 8.052 5.025 1.00 0.00 N ATOM 1053 CA LYS A 66 6.502 8.444 6.464 1.00 0.00 C ATOM 1054 C LYS A 66 7.834 9.136 6.772 1.00 0.00 C ATOM 1055 O LYS A 66 7.929 9.936 7.684 1.00 0.00 O ATOM 1056 CB LYS A 66 6.388 7.130 7.240 1.00 0.00 C ATOM 1057 CG LYS A 66 6.060 7.427 8.704 1.00 0.00 C ATOM 1058 CD LYS A 66 5.559 6.152 9.384 1.00 0.00 C ATOM 1059 CE LYS A 66 6.745 5.236 9.692 1.00 0.00 C ATOM 1060 NZ LYS A 66 6.164 4.101 10.462 1.00 0.00 N ATOM 0 H LYS A 66 6.898 7.162 4.804 1.00 0.00 H new ATOM 0 HA LYS A 66 5.709 9.142 6.731 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.611 6.503 6.802 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.322 6.573 7.172 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.946 7.802 9.217 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.301 8.207 8.767 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.031 6.402 10.304 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.848 5.638 8.737 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.224 4.888 8.776 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.507 5.758 10.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.917 3.428 10.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.721 4.462 11.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.447 3.619 9.883 1.00 0.00 H new ATOM 1074 N GLU A 67 8.860 8.837 6.012 1.00 0.00 N ATOM 1075 CA GLU A 67 10.187 9.480 6.248 1.00 0.00 C ATOM 1076 C GLU A 67 10.263 10.839 5.536 1.00 0.00 C ATOM 1077 O GLU A 67 11.128 11.645 5.823 1.00 0.00 O ATOM 1078 CB GLU A 67 11.207 8.507 5.654 1.00 0.00 C ATOM 1079 CG GLU A 67 11.616 7.484 6.715 1.00 0.00 C ATOM 1080 CD GLU A 67 12.684 8.093 7.627 1.00 0.00 C ATOM 1081 OE1 GLU A 67 13.776 8.341 7.143 1.00 0.00 O ATOM 1082 OE2 GLU A 67 12.390 8.301 8.793 1.00 0.00 O ATOM 0 H GLU A 67 8.834 8.174 5.237 1.00 0.00 H new ATOM 0 HA GLU A 67 10.368 9.671 7.306 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.780 7.999 4.790 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.083 9.052 5.303 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.747 7.187 7.303 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.001 6.583 6.237 1.00 0.00 H new ATOM 1089 N LYS A 68 9.361 11.102 4.621 1.00 0.00 N ATOM 1090 CA LYS A 68 9.373 12.410 3.903 1.00 0.00 C ATOM 1091 C LYS A 68 8.275 13.318 4.465 1.00 0.00 C ATOM 1092 O LYS A 68 8.392 14.529 4.455 1.00 0.00 O ATOM 1093 CB LYS A 68 9.086 12.063 2.442 1.00 0.00 C ATOM 1094 CG LYS A 68 10.350 11.494 1.795 1.00 0.00 C ATOM 1095 CD LYS A 68 10.113 11.301 0.296 1.00 0.00 C ATOM 1096 CE LYS A 68 10.227 12.650 -0.417 1.00 0.00 C ATOM 1097 NZ LYS A 68 11.686 12.840 -0.646 1.00 0.00 N ATOM 0 H LYS A 68 8.616 10.464 4.342 1.00 0.00 H new ATOM 0 HA LYS A 68 10.319 12.940 4.014 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.275 11.337 2.382 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.758 12.952 1.904 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.190 12.169 1.957 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.612 10.543 2.258 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.842 10.600 -0.111 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.126 10.870 0.126 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.676 12.647 -1.358 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.814 13.455 0.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.926 13.846 -0.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.222 12.281 0.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.931 12.525 -1.607 1.00 0.00 H new ATOM 1111 N TYR A 69 7.214 12.732 4.962 1.00 0.00 N ATOM 1112 CA TYR A 69 6.101 13.546 5.537 1.00 0.00 C ATOM 1113 C TYR A 69 6.515 14.103 6.902 1.00 0.00 C ATOM 1114 O TYR A 69 6.432 15.290 7.146 1.00 0.00 O ATOM 1115 CB TYR A 69 4.931 12.565 5.688 1.00 0.00 C ATOM 1116 CG TYR A 69 3.718 13.285 6.233 1.00 0.00 C ATOM 1117 CD1 TYR A 69 3.653 13.626 7.589 1.00 0.00 C ATOM 1118 CD2 TYR A 69 2.655 13.606 5.380 1.00 0.00 C ATOM 1119 CE1 TYR A 69 2.526 14.290 8.092 1.00 0.00 C ATOM 1120 CE2 TYR A 69 1.529 14.269 5.883 1.00 0.00 C ATOM 1121 CZ TYR A 69 1.465 14.611 7.238 1.00 0.00 C ATOM 1122 OH TYR A 69 0.355 15.264 7.733 1.00 0.00 O ATOM 0 H TYR A 69 7.071 11.723 4.994 1.00 0.00 H new ATOM 0 HA TYR A 69 5.839 14.398 4.909 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.695 12.117 4.723 1.00 0.00 H new ATOM 0 HB3 TYR A 69 5.212 11.752 6.357 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.472 13.377 8.248 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.704 13.342 4.334 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.476 14.554 9.138 1.00 0.00 H new ATOM 0 HE2 TYR A 69 0.709 14.516 5.225 1.00 0.00 H new ATOM 0 HH TYR A 69 0.245 16.120 7.269 1.00 0.00 H new ATOM 1132 N GLU A 70 6.949 13.247 7.790 1.00 0.00 N ATOM 1133 CA GLU A 70 7.362 13.710 9.152 1.00 0.00 C ATOM 1134 C GLU A 70 8.648 14.549 9.098 1.00 0.00 C ATOM 1135 O GLU A 70 9.036 15.147 10.084 1.00 0.00 O ATOM 1136 CB GLU A 70 7.601 12.428 9.953 1.00 0.00 C ATOM 1137 CG GLU A 70 6.257 11.800 10.326 1.00 0.00 C ATOM 1138 CD GLU A 70 6.491 10.611 11.259 1.00 0.00 C ATOM 1139 OE1 GLU A 70 6.712 9.522 10.755 1.00 0.00 O ATOM 1140 OE2 GLU A 70 6.444 10.808 12.462 1.00 0.00 O ATOM 0 H GLU A 70 7.036 12.243 7.632 1.00 0.00 H new ATOM 0 HA GLU A 70 6.600 14.348 9.600 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.192 11.725 9.366 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.173 12.651 10.854 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.621 12.539 10.814 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.734 11.473 9.427 1.00 0.00 H new ATOM 1147 N LYS A 71 9.315 14.597 7.969 1.00 0.00 N ATOM 1148 CA LYS A 71 10.575 15.395 7.877 1.00 0.00 C ATOM 1149 C LYS A 71 10.335 16.704 7.119 1.00 0.00 C ATOM 1150 O LYS A 71 10.974 17.705 7.382 1.00 0.00 O ATOM 1151 CB LYS A 71 11.550 14.502 7.110 1.00 0.00 C ATOM 1152 CG LYS A 71 12.217 13.522 8.077 1.00 0.00 C ATOM 1153 CD LYS A 71 13.438 12.892 7.404 1.00 0.00 C ATOM 1154 CE LYS A 71 14.016 11.802 8.311 1.00 0.00 C ATOM 1155 NZ LYS A 71 14.869 12.531 9.290 1.00 0.00 N ATOM 0 H LYS A 71 9.041 14.119 7.111 1.00 0.00 H new ATOM 0 HA LYS A 71 10.956 15.672 8.860 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.021 13.955 6.329 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.306 15.112 6.616 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.518 14.041 8.987 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.510 12.746 8.371 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.156 12.467 6.441 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.192 13.654 7.208 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.225 11.246 8.814 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.599 11.080 7.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.381 11.846 9.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.553 13.126 8.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.270 13.131 9.893 1.00 0.00 H new ATOM 1169 N ASP A 72 9.431 16.699 6.173 1.00 0.00 N ATOM 1170 CA ASP A 72 9.159 17.941 5.386 1.00 0.00 C ATOM 1171 C ASP A 72 7.996 18.734 5.990 1.00 0.00 C ATOM 1172 O ASP A 72 7.930 19.942 5.858 1.00 0.00 O ATOM 1173 CB ASP A 72 8.795 17.444 3.986 1.00 0.00 C ATOM 1174 CG ASP A 72 8.787 18.624 3.011 1.00 0.00 C ATOM 1175 OD1 ASP A 72 7.958 19.502 3.181 1.00 0.00 O ATOM 1176 OD2 ASP A 72 9.611 18.627 2.111 1.00 0.00 O ATOM 0 H ASP A 72 8.869 15.889 5.911 1.00 0.00 H new ATOM 0 HA ASP A 72 10.018 18.613 5.380 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.513 16.692 3.658 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.816 16.965 4.002 1.00 0.00 H new ATOM 1181 N ILE A 73 7.074 18.066 6.640 1.00 0.00 N ATOM 1182 CA ILE A 73 5.908 18.788 7.239 1.00 0.00 C ATOM 1183 C ILE A 73 6.352 19.655 8.432 1.00 0.00 C ATOM 1184 O ILE A 73 5.680 20.601 8.801 1.00 0.00 O ATOM 1185 CB ILE A 73 4.919 17.680 7.661 1.00 0.00 C ATOM 1186 CG1 ILE A 73 3.530 18.293 7.847 1.00 0.00 C ATOM 1187 CG2 ILE A 73 5.359 17.004 8.969 1.00 0.00 C ATOM 1188 CD1 ILE A 73 2.813 18.339 6.496 1.00 0.00 C ATOM 0 H ILE A 73 7.078 17.056 6.781 1.00 0.00 H new ATOM 0 HA ILE A 73 5.444 19.480 6.536 1.00 0.00 H new ATOM 0 HB ILE A 73 4.898 16.921 6.879 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.952 17.703 8.559 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.616 19.298 8.261 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.641 16.229 9.238 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.343 16.556 8.834 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.405 17.747 9.765 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.822 18.775 6.624 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.390 18.947 5.799 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.716 17.328 6.101 1.00 0.00 H new