USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 411 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 15 THR OG1 : rot 81:sc= 0.17 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.866 K(o=-0.87,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -167:sc= -0.0319 (180deg=-0.199) USER MOD Single : A 26 THR OG1 : rot 180:sc=-0.000872 USER MOD Single : A 27 TYR OH : rot 30:sc= 0 USER MOD Single : A 28 THR OG1 : rot -30:sc= -1.31! USER MOD Single : A 30 THR OG1 : rot -21:sc= 0.207 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -122:sc= 0.238 (180deg=-0.144) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot 180:sc= -1.61 USER MOD Single : A 52 GLN : amide:sc= -0.589 X(o=-0.59,f=-0.15) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -159:sc= -0.567 (180deg=-1.07) USER MOD ----------------------------------------------------------------- ATOM 170 N LEU A 14 -5.398 6.255 8.532 1.00 73.20 N ATOM 171 CA LEU A 14 -4.215 6.345 7.705 1.00 44.50 C ATOM 172 C LEU A 14 -2.975 6.541 8.520 1.00 54.43 C ATOM 173 O LEU A 14 -2.915 7.405 9.402 1.00 62.01 O ATOM 174 CB LEU A 14 -4.345 7.462 6.679 1.00 43.13 C ATOM 175 CG LEU A 14 -5.535 7.345 5.751 1.00 23.44 C ATOM 176 CD1 LEU A 14 -5.561 8.482 4.744 1.00 20.53 C ATOM 177 CD2 LEU A 14 -5.539 6.004 5.062 1.00 33.41 C ATOM 0 HA LEU A 14 -4.126 5.394 7.181 1.00 44.50 H new ATOM 0 HB2 LEU A 14 -4.407 8.414 7.207 1.00 43.13 H new ATOM 0 HB3 LEU A 14 -3.436 7.490 6.078 1.00 43.13 H new ATOM 0 HG LEU A 14 -6.442 7.420 6.351 1.00 23.44 H new ATOM 0 HD11 LEU A 14 -6.427 8.370 4.092 1.00 20.53 H new ATOM 0 HD12 LEU A 14 -5.624 9.434 5.271 1.00 20.53 H new ATOM 0 HD13 LEU A 14 -4.650 8.459 4.145 1.00 20.53 H new ATOM 0 HD21 LEU A 14 -6.402 5.938 4.399 1.00 33.41 H new ATOM 0 HD22 LEU A 14 -4.624 5.891 4.480 1.00 33.41 H new ATOM 0 HD23 LEU A 14 -5.594 5.212 5.808 1.00 33.41 H new ATOM 189 N THR A 15 -2.010 5.748 8.224 1.00 22.53 N ATOM 190 CA THR A 15 -0.766 5.779 8.852 1.00 10.21 C ATOM 191 C THR A 15 0.107 6.844 8.185 1.00 53.42 C ATOM 192 O THR A 15 0.406 6.757 6.986 1.00 33.12 O ATOM 193 CB THR A 15 -0.101 4.404 8.700 1.00 52.21 C ATOM 194 OG1 THR A 15 -1.005 3.381 9.162 1.00 55.44 O ATOM 195 CG2 THR A 15 1.153 4.345 9.514 1.00 74.22 C ATOM 0 H THR A 15 -2.083 5.031 7.502 1.00 22.53 H new ATOM 0 HA THR A 15 -0.885 6.017 9.909 1.00 10.21 H new ATOM 0 HB THR A 15 0.141 4.244 7.649 1.00 52.21 H new ATOM 0 HG1 THR A 15 -1.659 3.181 8.460 1.00 55.44 H new ATOM 0 HG21 THR A 15 1.616 3.365 9.398 1.00 74.22 H new ATOM 0 HG22 THR A 15 1.845 5.116 9.173 1.00 74.22 H new ATOM 0 HG23 THR A 15 0.913 4.511 10.564 1.00 74.22 H new ATOM 203 N THR A 16 0.459 7.854 8.933 1.00 31.21 N ATOM 204 CA THR A 16 1.339 8.873 8.437 1.00 10.13 C ATOM 205 C THR A 16 2.776 8.512 8.841 1.00 73.13 C ATOM 206 O THR A 16 3.757 8.960 8.216 1.00 75.33 O ATOM 207 CB THR A 16 0.931 10.292 8.956 1.00 44.02 C ATOM 208 OG1 THR A 16 1.784 11.306 8.405 1.00 63.14 O ATOM 209 CG2 THR A 16 0.976 10.368 10.478 1.00 31.55 C ATOM 0 H THR A 16 0.147 7.992 9.894 1.00 31.21 H new ATOM 0 HA THR A 16 1.268 8.918 7.350 1.00 10.13 H new ATOM 0 HB THR A 16 -0.094 10.466 8.628 1.00 44.02 H new ATOM 0 HG1 THR A 16 1.509 12.184 8.742 1.00 63.14 H new ATOM 0 HG21 THR A 16 0.687 11.368 10.801 1.00 31.55 H new ATOM 0 HG22 THR A 16 0.286 9.637 10.899 1.00 31.55 H new ATOM 0 HG23 THR A 16 1.987 10.154 10.823 1.00 31.55 H new ATOM 217 N GLN A 17 2.880 7.659 9.875 1.00 71.44 N ATOM 218 CA GLN A 17 4.161 7.164 10.360 1.00 2.15 C ATOM 219 C GLN A 17 4.761 6.245 9.316 1.00 53.10 C ATOM 220 O GLN A 17 4.036 5.642 8.528 1.00 13.41 O ATOM 221 CB GLN A 17 3.985 6.433 11.692 1.00 12.43 C ATOM 222 CG GLN A 17 3.450 7.319 12.809 1.00 45.03 C ATOM 223 CD GLN A 17 3.240 6.582 14.120 1.00 44.13 C ATOM 224 OE1 GLN A 17 2.354 6.934 14.910 1.00 24.34 O ATOM 225 NE2 GLN A 17 4.030 5.564 14.370 1.00 44.35 N ATOM 0 H GLN A 17 2.076 7.300 10.390 1.00 71.44 H new ATOM 0 HA GLN A 17 4.835 8.003 10.531 1.00 2.15 H new ATOM 0 HB2 GLN A 17 3.305 5.593 11.549 1.00 12.43 H new ATOM 0 HB3 GLN A 17 4.945 6.017 11.998 1.00 12.43 H new ATOM 0 HG2 GLN A 17 4.144 8.143 12.972 1.00 45.03 H new ATOM 0 HG3 GLN A 17 2.504 7.757 12.492 1.00 45.03 H new ATOM 0 HE21 GLN A 17 4.750 5.300 13.698 1.00 44.35 H new ATOM 0 HE22 GLN A 17 3.924 5.037 15.237 1.00 44.35 H new ATOM 234 N ARG A 18 6.058 6.125 9.302 1.00 24.11 N ATOM 235 CA ARG A 18 6.703 5.403 8.242 1.00 70.24 C ATOM 236 C ARG A 18 6.916 3.940 8.548 1.00 60.52 C ATOM 237 O ARG A 18 7.116 3.539 9.700 1.00 4.22 O ATOM 238 CB ARG A 18 8.019 6.045 7.838 1.00 60.41 C ATOM 239 CG ARG A 18 7.897 7.496 7.475 1.00 43.32 C ATOM 240 CD ARG A 18 9.166 8.017 6.860 1.00 54.13 C ATOM 241 NE ARG A 18 10.324 7.945 7.762 1.00 43.33 N ATOM 242 CZ ARG A 18 11.575 8.245 7.402 1.00 21.11 C ATOM 243 NH1 ARG A 18 11.838 8.598 6.154 1.00 31.41 N ATOM 244 NH2 ARG A 18 12.560 8.194 8.285 1.00 11.14 N ATOM 0 H ARG A 18 6.685 6.514 10.006 1.00 24.11 H new ATOM 0 HA ARG A 18 6.009 5.457 7.403 1.00 70.24 H new ATOM 0 HB2 ARG A 18 8.729 5.944 8.658 1.00 60.41 H new ATOM 0 HB3 ARG A 18 8.433 5.501 6.989 1.00 60.41 H new ATOM 0 HG2 ARG A 18 7.071 7.629 6.776 1.00 43.32 H new ATOM 0 HG3 ARG A 18 7.658 8.077 8.366 1.00 43.32 H new ATOM 0 HD2 ARG A 18 9.383 7.448 5.956 1.00 54.13 H new ATOM 0 HD3 ARG A 18 9.015 9.053 6.556 1.00 54.13 H new ATOM 0 HE ARG A 18 10.162 7.647 8.724 1.00 43.33 H new ATOM 0 HH11 ARG A 18 11.085 8.641 5.467 1.00 31.41 H new ATOM 0 HH12 ARG A 18 12.793 8.827 5.879 1.00 31.41 H new ATOM 0 HH21 ARG A 18 12.367 7.924 9.249 1.00 11.14 H new ATOM 0 HH22 ARG A 18 13.512 8.425 8.001 1.00 11.14 H new ATOM 258 N LEU A 19 6.855 3.164 7.502 1.00 41.30 N ATOM 259 CA LEU A 19 7.136 1.754 7.517 1.00 12.12 C ATOM 260 C LEU A 19 8.339 1.537 6.622 1.00 3.22 C ATOM 261 O LEU A 19 8.631 2.397 5.779 1.00 34.12 O ATOM 262 CB LEU A 19 5.953 0.913 6.946 1.00 44.33 C ATOM 263 CG LEU A 19 4.656 0.774 7.768 1.00 73.02 C ATOM 264 CD1 LEU A 19 3.928 2.098 7.955 1.00 21.31 C ATOM 265 CD2 LEU A 19 3.749 -0.253 7.114 1.00 50.52 C ATOM 0 H LEU A 19 6.598 3.510 6.578 1.00 41.30 H new ATOM 0 HA LEU A 19 7.306 1.437 8.546 1.00 12.12 H new ATOM 0 HB2 LEU A 19 5.684 1.341 5.980 1.00 44.33 H new ATOM 0 HB3 LEU A 19 6.329 -0.092 6.755 1.00 44.33 H new ATOM 0 HG LEU A 19 4.934 0.438 8.767 1.00 73.02 H new ATOM 0 HD11 LEU A 19 3.023 1.936 8.541 1.00 21.31 H new ATOM 0 HD12 LEU A 19 4.578 2.800 8.477 1.00 21.31 H new ATOM 0 HD13 LEU A 19 3.661 2.507 6.981 1.00 21.31 H new ATOM 0 HD21 LEU A 19 2.832 -0.351 7.695 1.00 50.52 H new ATOM 0 HD22 LEU A 19 3.504 0.070 6.102 1.00 50.52 H new ATOM 0 HD23 LEU A 19 4.258 -1.216 7.075 1.00 50.52 H new ATOM 277 N PRO A 20 9.076 0.434 6.782 1.00 14.21 N ATOM 278 CA PRO A 20 10.157 0.124 5.879 1.00 62.41 C ATOM 279 C PRO A 20 9.585 -0.216 4.511 1.00 11.21 C ATOM 280 O PRO A 20 8.697 -1.075 4.394 1.00 21.05 O ATOM 281 CB PRO A 20 10.836 -1.108 6.481 1.00 71.03 C ATOM 282 CG PRO A 20 10.224 -1.308 7.828 1.00 32.35 C ATOM 283 CD PRO A 20 8.918 -0.573 7.839 1.00 44.33 C ATOM 0 HA PRO A 20 10.853 0.954 5.756 1.00 62.41 H new ATOM 0 HB2 PRO A 20 10.682 -1.984 5.850 1.00 71.03 H new ATOM 0 HB3 PRO A 20 11.913 -0.958 6.562 1.00 71.03 H new ATOM 0 HG2 PRO A 20 10.069 -2.369 8.026 1.00 32.35 H new ATOM 0 HG3 PRO A 20 10.884 -0.931 8.609 1.00 32.35 H new ATOM 0 HD2 PRO A 20 8.081 -1.241 7.634 1.00 44.33 H new ATOM 0 HD3 PRO A 20 8.727 -0.110 8.807 1.00 44.33 H new ATOM 291 N CYS A 21 10.094 0.434 3.486 1.00 5.33 N ATOM 292 CA CYS A 21 9.591 0.270 2.129 1.00 54.15 C ATOM 293 C CYS A 21 9.845 -1.165 1.657 1.00 12.04 C ATOM 294 O CYS A 21 9.120 -1.705 0.820 1.00 5.41 O ATOM 295 CB CYS A 21 10.262 1.284 1.184 1.00 72.30 C ATOM 296 SG CYS A 21 9.394 1.545 -0.382 1.00 2.52 S ATOM 0 H CYS A 21 10.869 1.093 3.565 1.00 5.33 H new ATOM 0 HA CYS A 21 8.517 0.458 2.118 1.00 54.15 H new ATOM 0 HB2 CYS A 21 10.348 2.240 1.700 1.00 72.30 H new ATOM 0 HB3 CYS A 21 11.276 0.945 0.970 1.00 72.30 H new ATOM 301 N SER A 22 10.853 -1.792 2.247 1.00 11.35 N ATOM 302 CA SER A 22 11.188 -3.168 1.955 1.00 21.51 C ATOM 303 C SER A 22 10.067 -4.135 2.419 1.00 33.22 C ATOM 304 O SER A 22 10.012 -5.289 1.987 1.00 61.42 O ATOM 305 CB SER A 22 12.506 -3.512 2.627 1.00 74.55 C ATOM 306 OG SER A 22 13.517 -2.591 2.226 1.00 45.51 O ATOM 0 H SER A 22 11.459 -1.355 2.942 1.00 11.35 H new ATOM 0 HA SER A 22 11.287 -3.284 0.876 1.00 21.51 H new ATOM 0 HB2 SER A 22 12.388 -3.485 3.710 1.00 74.55 H new ATOM 0 HB3 SER A 22 12.803 -4.527 2.364 1.00 74.55 H new ATOM 0 HG SER A 22 14.362 -2.821 2.666 1.00 45.51 H new ATOM 312 N ARG A 23 9.169 -3.655 3.289 1.00 13.52 N ATOM 313 CA ARG A 23 8.073 -4.484 3.753 1.00 73.01 C ATOM 314 C ARG A 23 6.833 -4.286 2.903 1.00 73.41 C ATOM 315 O ARG A 23 5.834 -4.980 3.086 1.00 72.33 O ATOM 316 CB ARG A 23 7.736 -4.245 5.212 1.00 31.34 C ATOM 317 CG ARG A 23 8.846 -4.570 6.183 1.00 71.45 C ATOM 318 CD ARG A 23 8.338 -4.405 7.583 1.00 75.52 C ATOM 319 NE ARG A 23 9.367 -4.596 8.604 1.00 5.04 N ATOM 320 CZ ARG A 23 9.147 -4.368 9.900 1.00 61.53 C ATOM 321 NH1 ARG A 23 7.931 -4.022 10.311 1.00 65.42 N ATOM 322 NH2 ARG A 23 10.125 -4.515 10.782 1.00 21.11 N ATOM 0 H ARG A 23 9.186 -2.711 3.675 1.00 13.52 H new ATOM 0 HA ARG A 23 8.414 -5.515 3.655 1.00 73.01 H new ATOM 0 HB2 ARG A 23 7.457 -3.199 5.339 1.00 31.34 H new ATOM 0 HB3 ARG A 23 6.861 -4.842 5.470 1.00 31.34 H new ATOM 0 HG2 ARG A 23 9.194 -5.591 6.027 1.00 71.45 H new ATOM 0 HG3 ARG A 23 9.699 -3.913 6.013 1.00 71.45 H new ATOM 0 HD2 ARG A 23 7.911 -3.408 7.691 1.00 75.52 H new ATOM 0 HD3 ARG A 23 7.531 -5.117 7.754 1.00 75.52 H new ATOM 0 HE ARG A 23 10.291 -4.917 8.314 1.00 5.04 H new ATOM 0 HH11 ARG A 23 7.171 -3.932 9.637 1.00 65.42 H new ATOM 0 HH12 ARG A 23 7.758 -3.847 11.301 1.00 65.42 H new ATOM 0 HH21 ARG A 23 11.053 -4.804 10.471 1.00 21.11 H new ATOM 0 HH22 ARG A 23 9.950 -4.339 11.771 1.00 21.11 H new ATOM 336 N ILE A 24 6.888 -3.336 1.989 1.00 52.22 N ATOM 337 CA ILE A 24 5.791 -3.116 1.072 1.00 30.35 C ATOM 338 C ILE A 24 5.769 -4.264 0.071 1.00 71.21 C ATOM 339 O ILE A 24 6.798 -4.598 -0.524 1.00 72.14 O ATOM 340 CB ILE A 24 5.939 -1.787 0.277 1.00 64.11 C ATOM 341 CG1 ILE A 24 5.997 -0.555 1.218 1.00 61.44 C ATOM 342 CG2 ILE A 24 4.782 -1.667 -0.706 1.00 53.32 C ATOM 343 CD1 ILE A 24 4.689 -0.162 1.873 1.00 72.34 C ATOM 0 H ILE A 24 7.680 -2.706 1.863 1.00 52.22 H new ATOM 0 HA ILE A 24 4.873 -3.060 1.657 1.00 30.35 H new ATOM 0 HB ILE A 24 6.883 -1.809 -0.268 1.00 64.11 H new ATOM 0 HG12 ILE A 24 6.728 -0.754 2.001 1.00 61.44 H new ATOM 0 HG13 ILE A 24 6.366 0.297 0.647 1.00 61.44 H new ATOM 0 HG21 ILE A 24 4.877 -0.738 -1.268 1.00 53.32 H new ATOM 0 HG22 ILE A 24 4.801 -2.512 -1.395 1.00 53.32 H new ATOM 0 HG23 ILE A 24 3.839 -1.665 -0.159 1.00 53.32 H new ATOM 0 HD11 ILE A 24 4.847 0.710 2.508 1.00 72.34 H new ATOM 0 HD12 ILE A 24 3.955 0.077 1.104 1.00 72.34 H new ATOM 0 HD13 ILE A 24 4.322 -0.990 2.479 1.00 72.34 H new ATOM 355 N LYS A 25 4.635 -4.882 -0.083 1.00 51.24 N ATOM 356 CA LYS A 25 4.492 -5.953 -1.029 1.00 51.23 C ATOM 357 C LYS A 25 3.731 -5.415 -2.240 1.00 24.30 C ATOM 358 O LYS A 25 4.161 -5.570 -3.390 1.00 33.02 O ATOM 359 CB LYS A 25 3.740 -7.107 -0.335 1.00 51.11 C ATOM 360 CG LYS A 25 3.688 -8.472 -1.065 1.00 63.34 C ATOM 361 CD LYS A 25 2.847 -8.451 -2.340 1.00 11.01 C ATOM 362 CE LYS A 25 2.844 -9.804 -3.034 1.00 42.10 C ATOM 363 NZ LYS A 25 4.199 -10.209 -3.474 1.00 35.13 N ATOM 0 H LYS A 25 3.787 -4.661 0.439 1.00 51.24 H new ATOM 0 HA LYS A 25 5.454 -6.333 -1.372 1.00 51.23 H new ATOM 0 HB2 LYS A 25 4.197 -7.266 0.642 1.00 51.11 H new ATOM 0 HB3 LYS A 25 2.715 -6.781 -0.158 1.00 51.11 H new ATOM 0 HG2 LYS A 25 4.703 -8.780 -1.314 1.00 63.34 H new ATOM 0 HG3 LYS A 25 3.285 -9.223 -0.386 1.00 63.34 H new ATOM 0 HD2 LYS A 25 1.824 -8.165 -2.096 1.00 11.01 H new ATOM 0 HD3 LYS A 25 3.236 -7.694 -3.020 1.00 11.01 H new ATOM 0 HE2 LYS A 25 2.443 -10.558 -2.356 1.00 42.10 H new ATOM 0 HE3 LYS A 25 2.179 -9.766 -3.897 1.00 42.10 H new ATOM 0 HZ1 LYS A 25 4.126 -11.016 -4.126 1.00 35.13 H new ATOM 0 HZ2 LYS A 25 4.659 -9.412 -3.959 1.00 35.13 H new ATOM 0 HZ3 LYS A 25 4.765 -10.484 -2.646 1.00 35.13 H new ATOM 377 N THR A 26 2.629 -4.759 -1.972 1.00 3.53 N ATOM 378 CA THR A 26 1.794 -4.214 -3.001 1.00 65.24 C ATOM 379 C THR A 26 0.941 -3.112 -2.393 1.00 32.32 C ATOM 380 O THR A 26 0.877 -2.990 -1.166 1.00 33.41 O ATOM 381 CB THR A 26 0.885 -5.315 -3.632 1.00 61.11 C ATOM 382 OG1 THR A 26 0.184 -4.798 -4.771 1.00 2.13 O ATOM 383 CG2 THR A 26 -0.126 -5.851 -2.622 1.00 45.02 C ATOM 0 H THR A 26 2.288 -4.590 -1.026 1.00 3.53 H new ATOM 0 HA THR A 26 2.420 -3.811 -3.798 1.00 65.24 H new ATOM 0 HB THR A 26 1.536 -6.132 -3.943 1.00 61.11 H new ATOM 0 HG1 THR A 26 -0.380 -5.502 -5.155 1.00 2.13 H new ATOM 0 HG21 THR A 26 -0.742 -6.616 -3.095 1.00 45.02 H new ATOM 0 HG22 THR A 26 0.403 -6.285 -1.773 1.00 45.02 H new ATOM 0 HG23 THR A 26 -0.761 -5.036 -2.276 1.00 45.02 H new ATOM 391 N TYR A 27 0.315 -2.309 -3.222 1.00 0.03 N ATOM 392 CA TYR A 27 -0.545 -1.259 -2.738 1.00 54.11 C ATOM 393 C TYR A 27 -1.823 -1.236 -3.547 1.00 50.03 C ATOM 394 O TYR A 27 -1.890 -1.801 -4.639 1.00 62.21 O ATOM 395 CB TYR A 27 0.129 0.136 -2.800 1.00 71.24 C ATOM 396 CG TYR A 27 0.395 0.647 -4.184 1.00 74.21 C ATOM 397 CD1 TYR A 27 -0.602 1.296 -4.883 1.00 73.20 C ATOM 398 CD2 TYR A 27 1.624 0.490 -4.787 1.00 25.51 C ATOM 399 CE1 TYR A 27 -0.395 1.771 -6.140 1.00 51.22 C ATOM 400 CE2 TYR A 27 1.846 0.971 -6.061 1.00 51.53 C ATOM 401 CZ TYR A 27 0.835 1.610 -6.733 1.00 64.20 C ATOM 402 OH TYR A 27 1.058 2.083 -8.004 1.00 11.24 O ATOM 0 H TYR A 27 0.387 -2.365 -4.238 1.00 0.03 H new ATOM 0 HA TYR A 27 -0.760 -1.473 -1.691 1.00 54.11 H new ATOM 0 HB2 TYR A 27 -0.505 0.853 -2.279 1.00 71.24 H new ATOM 0 HB3 TYR A 27 1.073 0.092 -2.257 1.00 71.24 H new ATOM 0 HD1 TYR A 27 -1.569 1.430 -4.421 1.00 73.20 H new ATOM 0 HD2 TYR A 27 2.420 -0.014 -4.258 1.00 25.51 H new ATOM 0 HE1 TYR A 27 -1.192 2.272 -6.670 1.00 51.22 H new ATOM 0 HE2 TYR A 27 2.812 0.845 -6.527 1.00 51.53 H new ATOM 0 HH TYR A 27 0.495 2.869 -8.164 1.00 11.24 H new ATOM 412 N THR A 28 -2.795 -0.576 -3.018 1.00 43.14 N ATOM 413 CA THR A 28 -4.070 -0.377 -3.633 1.00 35.42 C ATOM 414 C THR A 28 -4.500 1.036 -3.378 1.00 64.50 C ATOM 415 O THR A 28 -4.560 1.467 -2.226 1.00 3.15 O ATOM 416 CB THR A 28 -5.140 -1.349 -3.070 1.00 4.24 C ATOM 417 OG1 THR A 28 -5.103 -1.363 -1.634 1.00 1.33 O ATOM 418 CG2 THR A 28 -4.946 -2.741 -3.593 1.00 52.34 C ATOM 0 H THR A 28 -2.723 -0.137 -2.100 1.00 43.14 H new ATOM 0 HA THR A 28 -3.976 -0.573 -4.701 1.00 35.42 H new ATOM 0 HB THR A 28 -6.114 -0.990 -3.402 1.00 4.24 H new ATOM 0 HG1 THR A 28 -4.191 -1.177 -1.328 1.00 1.33 H new ATOM 0 HG21 THR A 28 -5.713 -3.396 -3.178 1.00 52.34 H new ATOM 0 HG22 THR A 28 -5.023 -2.735 -4.680 1.00 52.34 H new ATOM 0 HG23 THR A 28 -3.961 -3.105 -3.301 1.00 52.34 H new ATOM 426 N ILE A 29 -4.760 1.777 -4.399 1.00 53.24 N ATOM 427 CA ILE A 29 -5.214 3.105 -4.181 1.00 22.54 C ATOM 428 C ILE A 29 -6.724 3.126 -4.282 1.00 13.12 C ATOM 429 O ILE A 29 -7.297 2.668 -5.276 1.00 12.12 O ATOM 430 CB ILE A 29 -4.554 4.150 -5.125 1.00 41.44 C ATOM 431 CG1 ILE A 29 -3.017 4.142 -4.943 1.00 62.20 C ATOM 432 CG2 ILE A 29 -5.117 5.550 -4.848 1.00 5.13 C ATOM 433 CD1 ILE A 29 -2.277 5.121 -5.828 1.00 3.05 C ATOM 0 H ILE A 29 -4.669 1.494 -5.375 1.00 53.24 H new ATOM 0 HA ILE A 29 -4.907 3.407 -3.180 1.00 22.54 H new ATOM 0 HB ILE A 29 -4.784 3.882 -6.156 1.00 41.44 H new ATOM 0 HG12 ILE A 29 -2.786 4.366 -3.902 1.00 62.20 H new ATOM 0 HG13 ILE A 29 -2.645 3.137 -5.143 1.00 62.20 H new ATOM 0 HG21 ILE A 29 -4.646 6.271 -5.516 1.00 5.13 H new ATOM 0 HG22 ILE A 29 -6.194 5.549 -5.017 1.00 5.13 H new ATOM 0 HG23 ILE A 29 -4.912 5.826 -3.814 1.00 5.13 H new ATOM 0 HD11 ILE A 29 -1.207 5.049 -5.635 1.00 3.05 H new ATOM 0 HD12 ILE A 29 -2.474 4.886 -6.874 1.00 3.05 H new ATOM 0 HD13 ILE A 29 -2.617 6.134 -5.613 1.00 3.05 H new ATOM 445 N THR A 30 -7.356 3.611 -3.257 1.00 51.42 N ATOM 446 CA THR A 30 -8.786 3.629 -3.186 1.00 11.10 C ATOM 447 C THR A 30 -9.297 5.042 -3.055 1.00 45.24 C ATOM 448 O THR A 30 -8.763 5.826 -2.266 1.00 14.01 O ATOM 449 CB THR A 30 -9.297 2.775 -1.995 1.00 55.21 C ATOM 450 OG1 THR A 30 -8.624 3.164 -0.770 1.00 72.14 O ATOM 451 CG2 THR A 30 -9.092 1.287 -2.243 1.00 5.14 C ATOM 0 H THR A 30 -6.891 4.008 -2.441 1.00 51.42 H new ATOM 0 HA THR A 30 -9.167 3.198 -4.112 1.00 11.10 H new ATOM 0 HB THR A 30 -10.367 2.958 -1.896 1.00 55.21 H new ATOM 0 HG1 THR A 30 -7.785 3.621 -0.989 1.00 72.14 H new ATOM 0 HG21 THR A 30 -9.462 0.721 -1.388 1.00 5.14 H new ATOM 0 HG22 THR A 30 -9.637 0.989 -3.138 1.00 5.14 H new ATOM 0 HG23 THR A 30 -8.030 1.084 -2.381 1.00 5.14 H new ATOM 511 N ARG A 35 -9.765 8.801 0.121 1.00 5.30 N ATOM 512 CA ARG A 35 -8.682 8.511 -0.794 1.00 52.03 C ATOM 513 C ARG A 35 -7.485 8.077 0.009 1.00 15.42 C ATOM 514 O ARG A 35 -6.878 8.878 0.731 1.00 4.14 O ATOM 515 CB ARG A 35 -8.364 9.727 -1.681 1.00 2.52 C ATOM 516 CG ARG A 35 -7.118 9.582 -2.552 1.00 71.10 C ATOM 517 CD ARG A 35 -6.993 10.753 -3.517 1.00 53.21 C ATOM 518 NE ARG A 35 -5.716 10.744 -4.254 1.00 21.01 N ATOM 519 CZ ARG A 35 -5.574 11.000 -5.564 1.00 33.23 C ATOM 520 NH1 ARG A 35 -6.625 11.054 -6.365 1.00 64.32 N ATOM 521 NH2 ARG A 35 -4.364 11.142 -6.075 1.00 72.43 N ATOM 0 HA ARG A 35 -8.972 7.706 -1.469 1.00 52.03 H new ATOM 0 HB2 ARG A 35 -9.220 9.920 -2.327 1.00 2.52 H new ATOM 0 HB3 ARG A 35 -8.243 10.602 -1.042 1.00 2.52 H new ATOM 0 HG2 ARG A 35 -6.231 9.530 -1.920 1.00 71.10 H new ATOM 0 HG3 ARG A 35 -7.167 8.648 -3.111 1.00 71.10 H new ATOM 0 HD2 ARG A 35 -7.819 10.724 -4.228 1.00 53.21 H new ATOM 0 HD3 ARG A 35 -7.082 11.687 -2.963 1.00 53.21 H new ATOM 0 HE ARG A 35 -4.872 10.525 -3.725 1.00 21.01 H new ATOM 0 HH11 ARG A 35 -7.561 10.900 -5.990 1.00 64.32 H new ATOM 0 HH12 ARG A 35 -6.500 11.250 -7.358 1.00 64.32 H new ATOM 0 HH21 ARG A 35 -3.544 11.057 -5.475 1.00 72.43 H new ATOM 0 HH22 ARG A 35 -4.250 11.337 -7.070 1.00 72.43 H new ATOM 535 N ALA A 36 -7.180 6.818 -0.087 1.00 45.53 N ATOM 536 CA ALA A 36 -6.145 6.223 0.689 1.00 61.20 C ATOM 537 C ALA A 36 -5.431 5.168 -0.100 1.00 4.31 C ATOM 538 O ALA A 36 -6.041 4.481 -0.942 1.00 44.24 O ATOM 539 CB ALA A 36 -6.753 5.592 1.921 1.00 23.54 C ATOM 0 H ALA A 36 -7.653 6.170 -0.717 1.00 45.53 H new ATOM 0 HA ALA A 36 -5.429 6.995 0.971 1.00 61.20 H new ATOM 0 HB1 ALA A 36 -5.967 5.134 2.521 1.00 23.54 H new ATOM 0 HB2 ALA A 36 -7.259 6.357 2.510 1.00 23.54 H new ATOM 0 HB3 ALA A 36 -7.472 4.829 1.622 1.00 23.54 H new ATOM 545 N VAL A 37 -4.162 5.038 0.143 1.00 13.04 N ATOM 546 CA VAL A 37 -3.399 4.009 -0.458 1.00 31.50 C ATOM 547 C VAL A 37 -3.145 2.910 0.577 1.00 42.41 C ATOM 548 O VAL A 37 -2.537 3.140 1.633 1.00 51.20 O ATOM 549 CB VAL A 37 -2.078 4.535 -1.105 1.00 50.31 C ATOM 550 CG1 VAL A 37 -1.199 5.256 -0.107 1.00 51.02 C ATOM 551 CG2 VAL A 37 -1.320 3.405 -1.773 1.00 51.24 C ATOM 0 H VAL A 37 -3.634 5.648 0.766 1.00 13.04 H new ATOM 0 HA VAL A 37 -3.970 3.591 -1.287 1.00 31.50 H new ATOM 0 HB VAL A 37 -2.361 5.263 -1.866 1.00 50.31 H new ATOM 0 HG11 VAL A 37 -0.293 5.603 -0.604 1.00 51.02 H new ATOM 0 HG12 VAL A 37 -1.738 6.110 0.302 1.00 51.02 H new ATOM 0 HG13 VAL A 37 -0.932 4.575 0.701 1.00 51.02 H new ATOM 0 HG21 VAL A 37 -0.404 3.794 -2.217 1.00 51.24 H new ATOM 0 HG22 VAL A 37 -1.070 2.646 -1.032 1.00 51.24 H new ATOM 0 HG23 VAL A 37 -1.940 2.961 -2.552 1.00 51.24 H new ATOM 561 N ILE A 38 -3.660 1.753 0.302 1.00 42.04 N ATOM 562 CA ILE A 38 -3.554 0.643 1.198 1.00 71.32 C ATOM 563 C ILE A 38 -2.448 -0.288 0.743 1.00 51.14 C ATOM 564 O ILE A 38 -2.528 -0.887 -0.329 1.00 13.13 O ATOM 565 CB ILE A 38 -4.903 -0.127 1.307 1.00 64.44 C ATOM 566 CG1 ILE A 38 -6.009 0.816 1.796 1.00 14.40 C ATOM 567 CG2 ILE A 38 -4.783 -1.328 2.243 1.00 22.12 C ATOM 568 CD1 ILE A 38 -7.363 0.156 1.932 1.00 54.50 C ATOM 0 H ILE A 38 -4.170 1.550 -0.558 1.00 42.04 H new ATOM 0 HA ILE A 38 -3.310 1.028 2.188 1.00 71.32 H new ATOM 0 HB ILE A 38 -5.160 -0.499 0.315 1.00 64.44 H new ATOM 0 HG12 ILE A 38 -5.719 1.230 2.762 1.00 14.40 H new ATOM 0 HG13 ILE A 38 -6.092 1.653 1.103 1.00 14.40 H new ATOM 0 HG21 ILE A 38 -5.742 -1.844 2.297 1.00 22.12 H new ATOM 0 HG22 ILE A 38 -4.024 -2.011 1.862 1.00 22.12 H new ATOM 0 HG23 ILE A 38 -4.498 -0.987 3.238 1.00 22.12 H new ATOM 0 HD11 ILE A 38 -8.091 0.888 2.282 1.00 54.50 H new ATOM 0 HD12 ILE A 38 -7.677 -0.233 0.963 1.00 54.50 H new ATOM 0 HD13 ILE A 38 -7.298 -0.663 2.648 1.00 54.50 H new ATOM 580 N PHE A 39 -1.434 -0.380 1.543 1.00 44.21 N ATOM 581 CA PHE A 39 -0.304 -1.219 1.285 1.00 1.30 C ATOM 582 C PHE A 39 -0.459 -2.502 1.994 1.00 65.05 C ATOM 583 O PHE A 39 -0.943 -2.546 3.121 1.00 42.22 O ATOM 584 CB PHE A 39 0.989 -0.569 1.743 1.00 33.41 C ATOM 585 CG PHE A 39 1.366 0.619 0.956 1.00 5.42 C ATOM 586 CD1 PHE A 39 2.088 0.470 -0.204 1.00 42.43 C ATOM 587 CD2 PHE A 39 1.007 1.876 1.358 1.00 62.41 C ATOM 588 CE1 PHE A 39 2.446 1.550 -0.951 1.00 54.25 C ATOM 589 CE2 PHE A 39 1.361 2.960 0.611 1.00 52.23 C ATOM 590 CZ PHE A 39 2.083 2.794 -0.548 1.00 31.30 C ATOM 0 H PHE A 39 -1.366 0.140 2.418 1.00 44.21 H new ATOM 0 HA PHE A 39 -0.256 -1.380 0.208 1.00 1.30 H new ATOM 0 HB2 PHE A 39 0.891 -0.284 2.790 1.00 33.41 H new ATOM 0 HB3 PHE A 39 1.794 -1.302 1.686 1.00 33.41 H new ATOM 0 HD1 PHE A 39 2.376 -0.519 -0.528 1.00 42.43 H new ATOM 0 HD2 PHE A 39 0.442 2.010 2.269 1.00 62.41 H new ATOM 0 HE1 PHE A 39 3.016 1.418 -1.859 1.00 54.25 H new ATOM 0 HE2 PHE A 39 1.074 3.951 0.930 1.00 52.23 H new ATOM 0 HZ PHE A 39 2.361 3.655 -1.138 1.00 31.30 H new ATOM 600 N ILE A 40 -0.077 -3.536 1.362 1.00 52.43 N ATOM 601 CA ILE A 40 -0.119 -4.797 1.974 1.00 63.03 C ATOM 602 C ILE A 40 1.311 -5.185 2.235 1.00 4.11 C ATOM 603 O ILE A 40 2.172 -5.021 1.347 1.00 5.13 O ATOM 604 CB ILE A 40 -0.783 -5.865 1.076 1.00 61.44 C ATOM 605 CG1 ILE A 40 -2.069 -5.317 0.411 1.00 12.14 C ATOM 606 CG2 ILE A 40 -1.127 -7.076 1.926 1.00 2.01 C ATOM 607 CD1 ILE A 40 -3.148 -4.850 1.380 1.00 75.11 C ATOM 0 H ILE A 40 0.274 -3.533 0.404 1.00 52.43 H new ATOM 0 HA ILE A 40 -0.714 -4.743 2.886 1.00 63.03 H new ATOM 0 HB ILE A 40 -0.085 -6.141 0.285 1.00 61.44 H new ATOM 0 HG12 ILE A 40 -1.798 -4.483 -0.236 1.00 12.14 H new ATOM 0 HG13 ILE A 40 -2.488 -6.094 -0.229 1.00 12.14 H new ATOM 0 HG21 ILE A 40 -1.597 -7.837 1.302 1.00 2.01 H new ATOM 0 HG22 ILE A 40 -0.217 -7.481 2.368 1.00 2.01 H new ATOM 0 HG23 ILE A 40 -1.815 -6.781 2.718 1.00 2.01 H new ATOM 0 HD11 ILE A 40 -4.008 -4.484 0.819 1.00 75.11 H new ATOM 0 HD12 ILE A 40 -3.455 -5.683 2.012 1.00 75.11 H new ATOM 0 HD13 ILE A 40 -2.754 -4.048 2.004 1.00 75.11 H new ATOM 619 N THR A 41 1.586 -5.639 3.415 1.00 71.40 N ATOM 620 CA THR A 41 2.916 -6.027 3.776 1.00 40.43 C ATOM 621 C THR A 41 3.126 -7.512 3.467 1.00 54.14 C ATOM 622 O THR A 41 2.197 -8.197 3.000 1.00 0.44 O ATOM 623 CB THR A 41 3.151 -5.769 5.276 1.00 20.22 C ATOM 624 OG1 THR A 41 2.167 -6.487 6.056 1.00 61.31 O ATOM 625 CG2 THR A 41 3.056 -4.283 5.589 1.00 54.15 C ATOM 0 H THR A 41 0.896 -5.752 4.158 1.00 71.40 H new ATOM 0 HA THR A 41 3.627 -5.436 3.198 1.00 40.43 H new ATOM 0 HB THR A 41 4.151 -6.118 5.532 1.00 20.22 H new ATOM 0 HG1 THR A 41 2.321 -6.321 7.010 1.00 61.31 H new ATOM 0 HG21 THR A 41 3.225 -4.124 6.654 1.00 54.15 H new ATOM 0 HG22 THR A 41 3.810 -3.742 5.017 1.00 54.15 H new ATOM 0 HG23 THR A 41 2.065 -3.917 5.321 1.00 54.15 H new ATOM 633 N LYS A 42 4.319 -8.025 3.737 1.00 33.43 N ATOM 634 CA LYS A 42 4.605 -9.445 3.504 1.00 25.13 C ATOM 635 C LYS A 42 3.886 -10.336 4.515 1.00 31.01 C ATOM 636 O LYS A 42 3.736 -11.551 4.304 1.00 15.50 O ATOM 637 CB LYS A 42 6.110 -9.765 3.500 1.00 41.53 C ATOM 638 CG LYS A 42 6.912 -9.300 2.281 1.00 44.12 C ATOM 639 CD LYS A 42 6.980 -7.799 2.124 1.00 30.04 C ATOM 640 CE LYS A 42 7.814 -7.416 0.908 1.00 13.42 C ATOM 641 NZ LYS A 42 9.229 -7.869 1.016 1.00 61.43 N ATOM 0 H LYS A 42 5.101 -7.490 4.114 1.00 33.43 H new ATOM 0 HA LYS A 42 4.224 -9.660 2.506 1.00 25.13 H new ATOM 0 HB2 LYS A 42 6.555 -9.318 4.389 1.00 41.53 H new ATOM 0 HB3 LYS A 42 6.228 -10.845 3.592 1.00 41.53 H new ATOM 0 HG2 LYS A 42 7.926 -9.693 2.355 1.00 44.12 H new ATOM 0 HG3 LYS A 42 6.469 -9.729 1.382 1.00 44.12 H new ATOM 0 HD2 LYS A 42 5.973 -7.394 2.021 1.00 30.04 H new ATOM 0 HD3 LYS A 42 7.412 -7.355 3.021 1.00 30.04 H new ATOM 0 HE2 LYS A 42 7.365 -7.849 0.014 1.00 13.42 H new ATOM 0 HE3 LYS A 42 7.792 -6.333 0.784 1.00 13.42 H new ATOM 0 HZ1 LYS A 42 9.863 -7.048 0.941 1.00 61.43 H new ATOM 0 HZ2 LYS A 42 9.375 -8.337 1.933 1.00 61.43 H new ATOM 0 HZ3 LYS A 42 9.439 -8.539 0.249 1.00 61.43 H new ATOM 655 N ARG A 43 3.443 -9.740 5.609 1.00 63.22 N ATOM 656 CA ARG A 43 2.695 -10.463 6.610 1.00 73.44 C ATOM 657 C ARG A 43 1.258 -10.704 6.122 1.00 64.23 C ATOM 658 O ARG A 43 0.562 -11.601 6.594 1.00 71.10 O ATOM 659 CB ARG A 43 2.721 -9.713 7.956 1.00 41.30 C ATOM 660 CG ARG A 43 1.926 -10.388 9.061 1.00 32.45 C ATOM 661 CD ARG A 43 2.041 -9.645 10.378 1.00 41.44 C ATOM 662 NE ARG A 43 1.135 -10.212 11.383 1.00 2.31 N ATOM 663 CZ ARG A 43 1.130 -9.915 12.686 1.00 30.03 C ATOM 664 NH1 ARG A 43 2.035 -9.097 13.201 1.00 72.34 N ATOM 665 NH2 ARG A 43 0.207 -10.444 13.470 1.00 14.12 N ATOM 0 H ARG A 43 3.592 -8.754 5.822 1.00 63.22 H new ATOM 0 HA ARG A 43 3.163 -11.434 6.771 1.00 73.44 H new ATOM 0 HB2 ARG A 43 3.756 -9.608 8.281 1.00 41.30 H new ATOM 0 HB3 ARG A 43 2.331 -8.706 7.806 1.00 41.30 H new ATOM 0 HG2 ARG A 43 0.878 -10.448 8.769 1.00 32.45 H new ATOM 0 HG3 ARG A 43 2.280 -11.411 9.190 1.00 32.45 H new ATOM 0 HD2 ARG A 43 3.068 -9.695 10.740 1.00 41.44 H new ATOM 0 HD3 ARG A 43 1.808 -8.591 10.227 1.00 41.44 H new ATOM 0 HE ARG A 43 0.448 -10.893 11.059 1.00 2.31 H new ATOM 0 HH11 ARG A 43 2.749 -8.684 12.601 1.00 72.34 H new ATOM 0 HH12 ARG A 43 2.018 -8.880 14.198 1.00 72.34 H new ATOM 0 HH21 ARG A 43 -0.494 -11.074 13.079 1.00 14.12 H new ATOM 0 HH22 ARG A 43 0.196 -10.223 14.466 1.00 14.12 H new ATOM 679 N GLY A 44 0.841 -9.933 5.141 1.00 1.22 N ATOM 680 CA GLY A 44 -0.475 -10.100 4.588 1.00 15.41 C ATOM 681 C GLY A 44 -1.487 -9.203 5.239 1.00 52.44 C ATOM 682 O GLY A 44 -2.695 -9.352 5.021 1.00 23.43 O ATOM 0 H GLY A 44 1.395 -9.190 4.715 1.00 1.22 H new ATOM 0 HA2 GLY A 44 -0.445 -9.894 3.518 1.00 15.41 H new ATOM 0 HA3 GLY A 44 -0.786 -11.138 4.704 1.00 15.41 H new ATOM 686 N LEU A 45 -1.018 -8.279 6.038 1.00 35.21 N ATOM 687 CA LEU A 45 -1.903 -7.350 6.676 1.00 63.42 C ATOM 688 C LEU A 45 -2.042 -6.154 5.825 1.00 41.01 C ATOM 689 O LEU A 45 -1.125 -5.813 5.067 1.00 74.42 O ATOM 690 CB LEU A 45 -1.410 -6.933 8.048 1.00 75.12 C ATOM 691 CG LEU A 45 -1.282 -8.037 9.070 1.00 25.30 C ATOM 692 CD1 LEU A 45 -0.853 -7.467 10.397 1.00 5.31 C ATOM 693 CD2 LEU A 45 -2.583 -8.807 9.215 1.00 70.12 C ATOM 0 H LEU A 45 -0.030 -8.153 6.259 1.00 35.21 H new ATOM 0 HA LEU A 45 -2.864 -7.846 6.809 1.00 63.42 H new ATOM 0 HB2 LEU A 45 -0.436 -6.457 7.933 1.00 75.12 H new ATOM 0 HB3 LEU A 45 -2.090 -6.177 8.442 1.00 75.12 H new ATOM 0 HG LEU A 45 -0.521 -8.736 8.723 1.00 25.30 H new ATOM 0 HD11 LEU A 45 -0.764 -8.272 11.127 1.00 5.31 H new ATOM 0 HD12 LEU A 45 0.111 -6.970 10.285 1.00 5.31 H new ATOM 0 HD13 LEU A 45 -1.595 -6.746 10.740 1.00 5.31 H new ATOM 0 HD21 LEU A 45 -2.459 -9.595 9.958 1.00 70.12 H new ATOM 0 HD22 LEU A 45 -3.374 -8.128 9.535 1.00 70.12 H new ATOM 0 HD23 LEU A 45 -2.852 -9.251 8.257 1.00 70.12 H new ATOM 705 N LYS A 46 -3.157 -5.516 5.916 1.00 64.24 N ATOM 706 CA LYS A 46 -3.333 -4.334 5.145 1.00 13.44 C ATOM 707 C LYS A 46 -3.045 -3.142 5.990 1.00 24.53 C ATOM 708 O LYS A 46 -3.517 -3.019 7.140 1.00 11.32 O ATOM 709 CB LYS A 46 -4.715 -4.179 4.469 1.00 12.05 C ATOM 710 CG LYS A 46 -5.885 -3.908 5.390 1.00 0.33 C ATOM 711 CD LYS A 46 -6.394 -5.150 6.054 1.00 50.22 C ATOM 712 CE LYS A 46 -7.075 -6.061 5.058 1.00 32.31 C ATOM 713 NZ LYS A 46 -7.679 -7.229 5.720 1.00 31.45 N ATOM 0 H LYS A 46 -3.946 -5.785 6.504 1.00 64.24 H new ATOM 0 HA LYS A 46 -2.626 -4.419 4.320 1.00 13.44 H new ATOM 0 HB2 LYS A 46 -4.653 -3.366 3.746 1.00 12.05 H new ATOM 0 HB3 LYS A 46 -4.925 -5.089 3.907 1.00 12.05 H new ATOM 0 HG2 LYS A 46 -5.584 -3.190 6.153 1.00 0.33 H new ATOM 0 HG3 LYS A 46 -6.692 -3.448 4.820 1.00 0.33 H new ATOM 0 HD2 LYS A 46 -5.566 -5.678 6.527 1.00 50.22 H new ATOM 0 HD3 LYS A 46 -7.095 -4.882 6.845 1.00 50.22 H new ATOM 0 HE2 LYS A 46 -7.846 -5.506 4.523 1.00 32.31 H new ATOM 0 HE3 LYS A 46 -6.351 -6.396 4.316 1.00 32.31 H new ATOM 0 HZ1 LYS A 46 -8.138 -7.833 5.008 1.00 31.45 H new ATOM 0 HZ2 LYS A 46 -6.939 -7.772 6.210 1.00 31.45 H new ATOM 0 HZ3 LYS A 46 -8.388 -6.909 6.411 1.00 31.45 H new ATOM 727 N VAL A 47 -2.268 -2.306 5.467 1.00 25.52 N ATOM 728 CA VAL A 47 -1.929 -1.080 6.105 1.00 13.01 C ATOM 729 C VAL A 47 -2.412 0.031 5.210 1.00 13.00 C ATOM 730 O VAL A 47 -2.409 -0.110 4.015 1.00 5.02 O ATOM 731 CB VAL A 47 -0.384 -0.956 6.328 1.00 32.24 C ATOM 732 CG1 VAL A 47 -0.025 0.351 7.032 1.00 10.45 C ATOM 733 CG2 VAL A 47 0.148 -2.145 7.123 1.00 70.33 C ATOM 0 H VAL A 47 -1.826 -2.438 4.557 1.00 25.52 H new ATOM 0 HA VAL A 47 -2.396 -1.031 7.089 1.00 13.01 H new ATOM 0 HB VAL A 47 0.088 -0.953 5.345 1.00 32.24 H new ATOM 0 HG11 VAL A 47 1.055 0.405 7.171 1.00 10.45 H new ATOM 0 HG12 VAL A 47 -0.355 1.194 6.425 1.00 10.45 H new ATOM 0 HG13 VAL A 47 -0.518 0.388 8.003 1.00 10.45 H new ATOM 0 HG21 VAL A 47 1.223 -2.036 7.265 1.00 70.33 H new ATOM 0 HG22 VAL A 47 -0.344 -2.183 8.095 1.00 70.33 H new ATOM 0 HG23 VAL A 47 -0.054 -3.067 6.578 1.00 70.33 H new ATOM 743 N CYS A 48 -2.818 1.105 5.756 1.00 23.23 N ATOM 744 CA CYS A 48 -3.253 2.186 4.951 1.00 33.12 C ATOM 745 C CYS A 48 -2.411 3.367 5.273 1.00 43.04 C ATOM 746 O CYS A 48 -2.237 3.731 6.436 1.00 44.44 O ATOM 747 CB CYS A 48 -4.746 2.462 5.144 1.00 23.25 C ATOM 748 SG CYS A 48 -5.249 2.852 6.853 1.00 53.23 S ATOM 0 H CYS A 48 -2.861 1.267 6.762 1.00 23.23 H new ATOM 0 HA CYS A 48 -3.135 1.941 3.896 1.00 33.12 H new ATOM 0 HB2 CYS A 48 -5.032 3.293 4.500 1.00 23.25 H new ATOM 0 HB3 CYS A 48 -5.307 1.590 4.807 1.00 23.25 H new ATOM 0 HG CYS A 48 -6.530 3.068 6.890 1.00 53.23 H new ATOM 753 N ALA A 49 -1.861 3.936 4.263 1.00 11.00 N ATOM 754 CA ALA A 49 -0.917 4.977 4.410 1.00 51.32 C ATOM 755 C ALA A 49 -1.439 6.253 3.835 1.00 23.53 C ATOM 756 O ALA A 49 -2.288 6.243 2.930 1.00 70.31 O ATOM 757 CB ALA A 49 0.382 4.577 3.759 1.00 25.22 C ATOM 0 H ALA A 49 -2.059 3.685 3.294 1.00 11.00 H new ATOM 0 HA ALA A 49 -0.738 5.148 5.472 1.00 51.32 H new ATOM 0 HB1 ALA A 49 1.109 5.381 3.873 1.00 25.22 H new ATOM 0 HB2 ALA A 49 0.763 3.673 4.233 1.00 25.22 H new ATOM 0 HB3 ALA A 49 0.214 4.387 2.699 1.00 25.22 H new ATOM 763 N ASP A 50 -0.968 7.335 4.378 1.00 42.20 N ATOM 764 CA ASP A 50 -1.363 8.655 3.954 1.00 74.31 C ATOM 765 C ASP A 50 -0.671 8.990 2.620 1.00 61.42 C ATOM 766 O ASP A 50 0.546 9.108 2.565 1.00 61.15 O ATOM 767 CB ASP A 50 -0.948 9.656 5.034 1.00 62.42 C ATOM 768 CG ASP A 50 -1.371 11.065 4.738 1.00 73.22 C ATOM 769 OD1 ASP A 50 -2.502 11.445 5.113 1.00 2.14 O ATOM 770 OD2 ASP A 50 -0.576 11.825 4.167 1.00 2.44 O ATOM 0 H ASP A 50 -0.289 7.331 5.139 1.00 42.20 H new ATOM 0 HA ASP A 50 -2.442 8.703 3.809 1.00 74.31 H new ATOM 0 HB2 ASP A 50 -1.378 9.349 5.987 1.00 62.42 H new ATOM 0 HB3 ASP A 50 0.136 9.627 5.148 1.00 62.42 H new ATOM 775 N PRO A 51 -1.452 9.149 1.519 1.00 20.11 N ATOM 776 CA PRO A 51 -0.910 9.392 0.152 1.00 74.13 C ATOM 777 C PRO A 51 -0.152 10.738 0.027 1.00 4.44 C ATOM 778 O PRO A 51 0.462 11.027 -1.005 1.00 72.15 O ATOM 779 CB PRO A 51 -2.173 9.433 -0.729 1.00 53.24 C ATOM 780 CG PRO A 51 -3.244 8.789 0.081 1.00 44.41 C ATOM 781 CD PRO A 51 -2.926 9.099 1.511 1.00 51.31 C ATOM 0 HA PRO A 51 -0.184 8.627 -0.124 1.00 74.13 H new ATOM 0 HB2 PRO A 51 -2.439 10.458 -0.987 1.00 53.24 H new ATOM 0 HB3 PRO A 51 -2.015 8.899 -1.666 1.00 53.24 H new ATOM 0 HG2 PRO A 51 -4.226 9.176 -0.193 1.00 44.41 H new ATOM 0 HG3 PRO A 51 -3.267 7.713 -0.089 1.00 44.41 H new ATOM 0 HD2 PRO A 51 -3.364 10.046 1.826 1.00 51.31 H new ATOM 0 HD3 PRO A 51 -3.308 8.332 2.185 1.00 51.31 H new ATOM 789 N GLN A 52 -0.218 11.567 1.060 1.00 45.12 N ATOM 790 CA GLN A 52 0.460 12.850 1.044 1.00 75.43 C ATOM 791 C GLN A 52 1.861 12.713 1.619 1.00 60.33 C ATOM 792 O GLN A 52 2.702 13.611 1.469 1.00 62.51 O ATOM 793 CB GLN A 52 -0.323 13.903 1.827 1.00 42.31 C ATOM 794 CG GLN A 52 -1.730 14.170 1.315 1.00 32.43 C ATOM 795 CD GLN A 52 -1.758 14.630 -0.124 1.00 22.34 C ATOM 796 OE1 GLN A 52 -1.673 15.820 -0.412 1.00 61.42 O ATOM 797 NE2 GLN A 52 -1.891 13.701 -1.034 1.00 14.43 N ATOM 0 H GLN A 52 -0.734 11.372 1.918 1.00 45.12 H new ATOM 0 HA GLN A 52 0.527 13.178 0.007 1.00 75.43 H new ATOM 0 HB2 GLN A 52 -0.385 13.588 2.869 1.00 42.31 H new ATOM 0 HB3 GLN A 52 0.237 14.838 1.810 1.00 42.31 H new ATOM 0 HG2 GLN A 52 -2.324 13.261 1.412 1.00 32.43 H new ATOM 0 HG3 GLN A 52 -2.201 14.927 1.942 1.00 32.43 H new ATOM 0 HE21 GLN A 52 -1.959 12.722 -0.757 1.00 14.43 H new ATOM 0 HE22 GLN A 52 -1.927 13.955 -2.021 1.00 14.43 H new ATOM 806 N ALA A 53 2.107 11.598 2.283 1.00 75.23 N ATOM 807 CA ALA A 53 3.406 11.327 2.838 1.00 21.34 C ATOM 808 C ALA A 53 4.380 11.047 1.721 1.00 24.41 C ATOM 809 O ALA A 53 4.123 10.209 0.850 1.00 33.11 O ATOM 810 CB ALA A 53 3.346 10.172 3.816 1.00 71.42 C ATOM 0 H ALA A 53 1.415 10.867 2.448 1.00 75.23 H new ATOM 0 HA ALA A 53 3.748 12.202 3.391 1.00 21.34 H new ATOM 0 HB1 ALA A 53 4.341 9.987 4.222 1.00 71.42 H new ATOM 0 HB2 ALA A 53 2.663 10.418 4.629 1.00 71.42 H new ATOM 0 HB3 ALA A 53 2.992 9.278 3.302 1.00 71.42 H new ATOM 816 N THR A 54 5.481 11.743 1.745 1.00 42.51 N ATOM 817 CA THR A 54 6.483 11.648 0.716 1.00 42.43 C ATOM 818 C THR A 54 7.088 10.244 0.641 1.00 34.34 C ATOM 819 O THR A 54 7.410 9.762 -0.443 1.00 43.24 O ATOM 820 CB THR A 54 7.571 12.701 0.951 1.00 10.21 C ATOM 821 OG1 THR A 54 6.941 13.995 0.998 1.00 72.44 O ATOM 822 CG2 THR A 54 8.613 12.693 -0.163 1.00 2.44 C ATOM 0 H THR A 54 5.713 12.402 2.489 1.00 42.51 H new ATOM 0 HA THR A 54 6.004 11.840 -0.244 1.00 42.43 H new ATOM 0 HB THR A 54 8.082 12.474 1.887 1.00 10.21 H new ATOM 0 HG1 THR A 54 7.621 14.684 1.150 1.00 72.44 H new ATOM 0 HG21 THR A 54 9.368 13.453 0.039 1.00 2.44 H new ATOM 0 HG22 THR A 54 9.088 11.713 -0.210 1.00 2.44 H new ATOM 0 HG23 THR A 54 8.129 12.907 -1.116 1.00 2.44 H new ATOM 830 N TRP A 55 7.198 9.571 1.780 1.00 12.02 N ATOM 831 CA TRP A 55 7.763 8.231 1.778 1.00 74.34 C ATOM 832 C TRP A 55 6.781 7.277 1.097 1.00 70.43 C ATOM 833 O TRP A 55 7.179 6.321 0.423 1.00 73.41 O ATOM 834 CB TRP A 55 8.109 7.739 3.198 1.00 62.44 C ATOM 835 CG TRP A 55 6.934 7.386 4.035 1.00 34.44 C ATOM 836 CD1 TRP A 55 6.189 8.220 4.778 1.00 0.52 C ATOM 837 CD2 TRP A 55 6.381 6.082 4.205 1.00 75.21 C ATOM 838 NE1 TRP A 55 5.191 7.523 5.417 1.00 31.13 N ATOM 839 CE2 TRP A 55 5.292 6.203 5.069 1.00 43.05 C ATOM 840 CE3 TRP A 55 6.708 4.824 3.696 1.00 75.44 C ATOM 841 CZ2 TRP A 55 4.524 5.117 5.446 1.00 41.30 C ATOM 842 CZ3 TRP A 55 5.943 3.744 4.064 1.00 50.41 C ATOM 843 CH2 TRP A 55 4.860 3.896 4.932 1.00 5.32 C ATOM 0 H TRP A 55 6.911 9.921 2.694 1.00 12.02 H new ATOM 0 HA TRP A 55 8.701 8.256 1.223 1.00 74.34 H new ATOM 0 HB2 TRP A 55 8.756 6.866 3.118 1.00 62.44 H new ATOM 0 HB3 TRP A 55 8.681 8.514 3.707 1.00 62.44 H new ATOM 0 HD1 TRP A 55 6.350 9.285 4.862 1.00 0.52 H new ATOM 0 HE1 TRP A 55 4.493 7.922 6.045 1.00 31.13 H new ATOM 0 HE3 TRP A 55 7.546 4.702 3.026 1.00 75.44 H new ATOM 0 HZ2 TRP A 55 3.689 5.229 6.122 1.00 41.30 H new ATOM 0 HZ3 TRP A 55 6.182 2.765 3.677 1.00 50.41 H new ATOM 0 HH2 TRP A 55 4.275 3.030 5.203 1.00 5.32 H new ATOM 854 N VAL A 56 5.491 7.569 1.271 1.00 73.14 N ATOM 855 CA VAL A 56 4.436 6.803 0.658 1.00 33.13 C ATOM 856 C VAL A 56 4.475 7.014 -0.812 1.00 13.31 C ATOM 857 O VAL A 56 4.487 6.058 -1.565 1.00 23.23 O ATOM 858 CB VAL A 56 3.036 7.173 1.208 1.00 40.10 C ATOM 859 CG1 VAL A 56 1.955 6.476 0.425 1.00 21.23 C ATOM 860 CG2 VAL A 56 2.931 6.795 2.658 1.00 71.21 C ATOM 0 H VAL A 56 5.161 8.346 1.844 1.00 73.14 H new ATOM 0 HA VAL A 56 4.603 5.753 0.898 1.00 33.13 H new ATOM 0 HB VAL A 56 2.905 8.250 1.106 1.00 40.10 H new ATOM 0 HG11 VAL A 56 0.980 6.750 0.828 1.00 21.23 H new ATOM 0 HG12 VAL A 56 2.013 6.776 -0.621 1.00 21.23 H new ATOM 0 HG13 VAL A 56 2.089 5.397 0.501 1.00 21.23 H new ATOM 0 HG21 VAL A 56 1.942 7.060 3.032 1.00 71.21 H new ATOM 0 HG22 VAL A 56 3.084 5.721 2.766 1.00 71.21 H new ATOM 0 HG23 VAL A 56 3.691 7.329 3.229 1.00 71.21 H new ATOM 870 N ARG A 57 4.522 8.272 -1.213 1.00 34.35 N ATOM 871 CA ARG A 57 4.627 8.626 -2.611 1.00 2.33 C ATOM 872 C ARG A 57 5.824 7.941 -3.230 1.00 1.42 C ATOM 873 O ARG A 57 5.721 7.321 -4.265 1.00 44.12 O ATOM 874 CB ARG A 57 4.710 10.137 -2.779 1.00 43.40 C ATOM 875 CG ARG A 57 3.454 10.851 -2.335 1.00 63.15 C ATOM 876 CD ARG A 57 3.575 12.343 -2.518 1.00 50.13 C ATOM 877 NE ARG A 57 2.332 13.044 -2.180 1.00 55.33 N ATOM 878 CZ ARG A 57 2.219 14.379 -2.104 1.00 32.33 C ATOM 879 NH1 ARG A 57 3.297 15.146 -2.212 1.00 44.24 N ATOM 880 NH2 ARG A 57 1.033 14.938 -1.900 1.00 74.04 N ATOM 0 H ARG A 57 4.488 9.071 -0.580 1.00 34.35 H new ATOM 0 HA ARG A 57 3.731 8.285 -3.129 1.00 2.33 H new ATOM 0 HB2 ARG A 57 5.557 10.515 -2.207 1.00 43.40 H new ATOM 0 HB3 ARG A 57 4.903 10.370 -3.826 1.00 43.40 H new ATOM 0 HG2 ARG A 57 2.602 10.481 -2.906 1.00 63.15 H new ATOM 0 HG3 ARG A 57 3.257 10.626 -1.287 1.00 63.15 H new ATOM 0 HD2 ARG A 57 4.384 12.720 -1.893 1.00 50.13 H new ATOM 0 HD3 ARG A 57 3.843 12.560 -3.552 1.00 50.13 H new ATOM 0 HE ARG A 57 1.502 12.482 -1.991 1.00 55.33 H new ATOM 0 HH11 ARG A 57 4.213 14.721 -2.353 1.00 44.24 H new ATOM 0 HH12 ARG A 57 3.209 16.161 -2.154 1.00 44.24 H new ATOM 0 HH21 ARG A 57 0.204 14.353 -1.800 1.00 74.04 H new ATOM 0 HH22 ARG A 57 0.951 15.953 -1.843 1.00 74.04 H new ATOM 894 N ASP A 58 6.935 8.005 -2.545 1.00 24.32 N ATOM 895 CA ASP A 58 8.154 7.349 -2.983 1.00 15.30 C ATOM 896 C ASP A 58 7.961 5.830 -3.180 1.00 1.34 C ATOM 897 O ASP A 58 8.406 5.277 -4.179 1.00 43.53 O ATOM 898 CB ASP A 58 9.303 7.639 -2.009 1.00 52.43 C ATOM 899 CG ASP A 58 10.575 6.906 -2.354 1.00 62.14 C ATOM 900 OD1 ASP A 58 11.251 7.276 -3.343 1.00 74.30 O ATOM 901 OD2 ASP A 58 10.933 5.956 -1.630 1.00 23.33 O ATOM 0 H ASP A 58 7.028 8.513 -1.665 1.00 24.32 H new ATOM 0 HA ASP A 58 8.414 7.762 -3.958 1.00 15.30 H new ATOM 0 HB2 ASP A 58 9.500 8.711 -1.999 1.00 52.43 H new ATOM 0 HB3 ASP A 58 8.994 7.363 -1.001 1.00 52.43 H new ATOM 906 N CYS A 59 7.262 5.166 -2.264 1.00 24.12 N ATOM 907 CA CYS A 59 7.067 3.713 -2.380 1.00 22.40 C ATOM 908 C CYS A 59 5.933 3.315 -3.293 1.00 62.25 C ATOM 909 O CYS A 59 6.045 2.321 -4.029 1.00 51.01 O ATOM 910 CB CYS A 59 6.869 3.068 -1.054 1.00 23.21 C ATOM 911 SG CYS A 59 8.299 3.207 0.036 1.00 55.34 S ATOM 0 H CYS A 59 6.827 5.594 -1.447 1.00 24.12 H new ATOM 0 HA CYS A 59 7.993 3.355 -2.830 1.00 22.40 H new ATOM 0 HB2 CYS A 59 6.005 3.518 -0.565 1.00 23.21 H new ATOM 0 HB3 CYS A 59 6.637 2.013 -1.203 1.00 23.21 H new ATOM 916 N VAL A 60 4.847 4.069 -3.268 1.00 42.21 N ATOM 917 CA VAL A 60 3.701 3.778 -4.108 1.00 4.31 C ATOM 918 C VAL A 60 4.153 3.948 -5.571 1.00 34.04 C ATOM 919 O VAL A 60 3.662 3.302 -6.479 1.00 13.35 O ATOM 920 CB VAL A 60 2.460 4.711 -3.776 1.00 35.33 C ATOM 921 CG1 VAL A 60 2.661 6.105 -4.268 1.00 22.11 C ATOM 922 CG2 VAL A 60 1.188 4.164 -4.340 1.00 0.34 C ATOM 0 H VAL A 60 4.736 4.890 -2.672 1.00 42.21 H new ATOM 0 HA VAL A 60 3.359 2.759 -3.925 1.00 4.31 H new ATOM 0 HB VAL A 60 2.382 4.734 -2.689 1.00 35.33 H new ATOM 0 HG11 VAL A 60 1.788 6.708 -4.019 1.00 22.11 H new ATOM 0 HG12 VAL A 60 3.545 6.534 -3.795 1.00 22.11 H new ATOM 0 HG13 VAL A 60 2.798 6.093 -5.349 1.00 22.11 H new ATOM 0 HG21 VAL A 60 0.363 4.831 -4.091 1.00 0.34 H new ATOM 0 HG22 VAL A 60 1.275 4.084 -5.424 1.00 0.34 H new ATOM 0 HG23 VAL A 60 0.997 3.178 -3.917 1.00 0.34 H new ATOM 932 N ARG A 61 5.157 4.796 -5.757 1.00 14.12 N ATOM 933 CA ARG A 61 5.705 5.024 -7.083 1.00 0.44 C ATOM 934 C ARG A 61 6.847 4.053 -7.359 1.00 24.13 C ATOM 935 O ARG A 61 7.098 3.706 -8.503 1.00 73.23 O ATOM 936 CB ARG A 61 6.156 6.478 -7.313 1.00 73.01 C ATOM 937 CG ARG A 61 5.060 7.528 -7.112 1.00 75.13 C ATOM 938 CD ARG A 61 3.808 7.251 -7.932 1.00 73.04 C ATOM 939 NE ARG A 61 4.050 7.243 -9.375 1.00 74.40 N ATOM 940 CZ ARG A 61 3.087 7.371 -10.295 1.00 1.14 C ATOM 941 NH1 ARG A 61 1.819 7.587 -9.924 1.00 54.31 N ATOM 942 NH2 ARG A 61 3.394 7.302 -11.577 1.00 3.11 N ATOM 0 H ARG A 61 5.603 5.332 -5.012 1.00 14.12 H new ATOM 0 HA ARG A 61 4.897 4.841 -7.791 1.00 0.44 H new ATOM 0 HB2 ARG A 61 6.981 6.700 -6.636 1.00 73.01 H new ATOM 0 HB3 ARG A 61 6.544 6.567 -8.328 1.00 73.01 H new ATOM 0 HG2 ARG A 61 4.793 7.568 -6.056 1.00 75.13 H new ATOM 0 HG3 ARG A 61 5.452 8.509 -7.379 1.00 75.13 H new ATOM 0 HD2 ARG A 61 3.394 6.288 -7.635 1.00 73.04 H new ATOM 0 HD3 ARG A 61 3.057 8.006 -7.701 1.00 73.04 H new ATOM 0 HE ARG A 61 5.011 7.133 -9.699 1.00 74.40 H new ATOM 0 HH11 ARG A 61 1.582 7.655 -8.934 1.00 54.31 H new ATOM 0 HH12 ARG A 61 1.090 7.684 -10.631 1.00 54.31 H new ATOM 0 HH21 ARG A 61 4.362 7.152 -11.862 1.00 3.11 H new ATOM 0 HH22 ARG A 61 2.664 7.399 -12.282 1.00 3.11 H new ATOM 956 N SER A 62 7.535 3.619 -6.296 1.00 50.42 N ATOM 957 CA SER A 62 8.609 2.621 -6.401 1.00 52.12 C ATOM 958 C SER A 62 8.046 1.324 -7.000 1.00 64.22 C ATOM 959 O SER A 62 8.605 0.760 -7.947 1.00 32.42 O ATOM 960 CB SER A 62 9.237 2.343 -4.998 1.00 33.13 C ATOM 961 OG SER A 62 10.279 1.383 -5.061 1.00 12.11 O ATOM 0 H SER A 62 7.366 3.946 -5.345 1.00 50.42 H new ATOM 0 HA SER A 62 9.392 3.008 -7.053 1.00 52.12 H new ATOM 0 HB2 SER A 62 9.626 3.273 -4.585 1.00 33.13 H new ATOM 0 HB3 SER A 62 8.462 1.992 -4.317 1.00 33.13 H new ATOM 0 HG SER A 62 10.646 1.239 -4.164 1.00 12.11 H new ATOM 967 N MET A 63 6.913 0.888 -6.465 1.00 54.41 N ATOM 968 CA MET A 63 6.242 -0.329 -6.930 1.00 23.22 C ATOM 969 C MET A 63 5.705 -0.163 -8.348 1.00 61.33 C ATOM 970 O MET A 63 5.599 -1.131 -9.102 1.00 54.53 O ATOM 971 CB MET A 63 5.144 -0.760 -5.959 1.00 1.14 C ATOM 972 CG MET A 63 5.679 -1.170 -4.603 1.00 42.11 C ATOM 973 SD MET A 63 6.762 -2.604 -4.718 1.00 33.11 S ATOM 974 CE MET A 63 7.361 -2.708 -3.044 1.00 31.32 C ATOM 0 H MET A 63 6.432 1.362 -5.701 1.00 54.41 H new ATOM 0 HA MET A 63 6.985 -1.126 -6.958 1.00 23.22 H new ATOM 0 HB2 MET A 63 4.437 0.060 -5.832 1.00 1.14 H new ATOM 0 HB3 MET A 63 4.591 -1.593 -6.392 1.00 1.14 H new ATOM 0 HG2 MET A 63 6.225 -0.337 -4.160 1.00 42.11 H new ATOM 0 HG3 MET A 63 4.846 -1.396 -3.937 1.00 42.11 H new ATOM 0 HE1 MET A 63 8.291 -3.276 -3.025 1.00 31.32 H new ATOM 0 HE2 MET A 63 7.541 -1.704 -2.659 1.00 31.32 H new ATOM 0 HE3 MET A 63 6.618 -3.207 -2.422 1.00 31.32 H new ATOM 984 N ASP A 64 5.358 1.056 -8.691 1.00 42.24 N ATOM 985 CA ASP A 64 4.918 1.383 -10.045 1.00 33.03 C ATOM 986 C ASP A 64 6.112 1.343 -11.011 1.00 12.03 C ATOM 987 O ASP A 64 6.018 0.810 -12.117 1.00 24.11 O ATOM 988 CB ASP A 64 4.246 2.762 -10.058 1.00 3.12 C ATOM 989 CG ASP A 64 3.895 3.248 -11.446 1.00 10.03 C ATOM 990 OD1 ASP A 64 2.875 2.802 -12.013 1.00 55.13 O ATOM 991 OD2 ASP A 64 4.623 4.113 -11.973 1.00 31.04 O ATOM 0 H ASP A 64 5.369 1.850 -8.051 1.00 42.24 H new ATOM 0 HA ASP A 64 4.188 0.644 -10.375 1.00 33.03 H new ATOM 0 HB2 ASP A 64 3.339 2.721 -9.456 1.00 3.12 H new ATOM 0 HB3 ASP A 64 4.910 3.486 -9.585 1.00 3.12 H new ATOM 996 N ARG A 65 7.245 1.862 -10.549 1.00 34.33 N ATOM 997 CA ARG A 65 8.483 1.891 -11.328 1.00 1.33 C ATOM 998 C ARG A 65 8.996 0.480 -11.620 1.00 3.11 C ATOM 999 O ARG A 65 9.407 0.172 -12.748 1.00 70.01 O ATOM 1000 CB ARG A 65 9.563 2.701 -10.601 1.00 64.32 C ATOM 1001 CG ARG A 65 10.903 2.678 -11.306 1.00 1.34 C ATOM 1002 CD ARG A 65 11.965 3.434 -10.548 1.00 45.22 C ATOM 1003 NE ARG A 65 13.279 3.277 -11.177 1.00 54.24 N ATOM 1004 CZ ARG A 65 14.419 3.814 -10.731 1.00 55.11 C ATOM 1005 NH1 ARG A 65 14.414 4.611 -9.659 1.00 51.01 N ATOM 1006 NH2 ARG A 65 15.563 3.548 -11.364 1.00 14.23 N ATOM 0 H ARG A 65 7.333 2.276 -9.621 1.00 34.33 H new ATOM 0 HA ARG A 65 8.257 2.374 -12.279 1.00 1.33 H new ATOM 0 HB2 ARG A 65 9.229 3.734 -10.503 1.00 64.32 H new ATOM 0 HB3 ARG A 65 9.684 2.308 -9.591 1.00 64.32 H new ATOM 0 HG2 ARG A 65 11.222 1.644 -11.440 1.00 1.34 H new ATOM 0 HG3 ARG A 65 10.794 3.109 -12.301 1.00 1.34 H new ATOM 0 HD2 ARG A 65 11.703 4.491 -10.507 1.00 45.22 H new ATOM 0 HD3 ARG A 65 12.006 3.075 -9.520 1.00 45.22 H new ATOM 0 HE ARG A 65 13.328 2.712 -12.025 1.00 54.24 H new ATOM 0 HH11 ARG A 65 13.538 4.812 -9.177 1.00 51.01 H new ATOM 0 HH12 ARG A 65 15.286 5.018 -9.322 1.00 51.01 H new ATOM 0 HH21 ARG A 65 15.563 2.939 -12.182 1.00 14.23 H new ATOM 0 HH22 ARG A 65 16.437 3.954 -11.030 1.00 14.23 H new