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 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.0353 F(o=-0.65,f=-0.035) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -169:sc= -0.0182 (180deg=-0.176) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 30:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 33:sc= 1.23 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.0964 X(o=-0.096,f=-0.18) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 65:sc= 1.18 USER MOD Single : A 63 MET CE :methyl -151:sc= -0.15 (180deg=-1.32) USER MOD ----------------------------------------------------------------- ATOM 170 N LEU A 14 -5.539 6.532 8.063 1.00 63.22 N ATOM 171 CA LEU A 14 -4.207 6.675 7.558 1.00 52.54 C ATOM 172 C LEU A 14 -3.244 6.543 8.693 1.00 24.02 C ATOM 173 O LEU A 14 -3.330 7.285 9.675 1.00 1.52 O ATOM 174 CB LEU A 14 -4.064 8.037 6.906 1.00 22.01 C ATOM 175 CG LEU A 14 -5.082 8.335 5.817 1.00 51.51 C ATOM 176 CD1 LEU A 14 -4.952 9.749 5.328 1.00 1.22 C ATOM 177 CD2 LEU A 14 -4.965 7.356 4.662 1.00 65.34 C ATOM 0 HA LEU A 14 -3.999 5.904 6.816 1.00 52.54 H new ATOM 0 HB2 LEU A 14 -4.144 8.803 7.677 1.00 22.01 H new ATOM 0 HB3 LEU A 14 -3.064 8.117 6.480 1.00 22.01 H new ATOM 0 HG LEU A 14 -6.072 8.215 6.257 1.00 51.51 H new ATOM 0 HD11 LEU A 14 -5.692 9.934 4.550 1.00 1.22 H new ATOM 0 HD12 LEU A 14 -5.117 10.437 6.157 1.00 1.22 H new ATOM 0 HD13 LEU A 14 -3.952 9.903 4.922 1.00 1.22 H new ATOM 0 HD21 LEU A 14 -5.708 7.599 3.902 1.00 65.34 H new ATOM 0 HD22 LEU A 14 -3.967 7.422 4.228 1.00 65.34 H new ATOM 0 HD23 LEU A 14 -5.136 6.343 5.025 1.00 65.34 H new ATOM 189 N THR A 15 -2.342 5.606 8.570 1.00 74.43 N ATOM 190 CA THR A 15 -1.390 5.324 9.627 1.00 41.42 C ATOM 191 C THR A 15 -0.455 6.513 9.893 1.00 31.53 C ATOM 192 O THR A 15 -0.152 6.824 11.052 1.00 50.44 O ATOM 193 CB THR A 15 -0.562 4.010 9.360 1.00 13.12 C ATOM 194 OG1 THR A 15 0.214 3.680 10.514 1.00 24.41 O ATOM 195 CG2 THR A 15 0.385 4.159 8.165 1.00 34.31 C ATOM 0 H THR A 15 -2.241 5.017 7.743 1.00 74.43 H new ATOM 0 HA THR A 15 -1.983 5.157 10.526 1.00 41.42 H new ATOM 0 HB THR A 15 -1.279 3.220 9.138 1.00 13.12 H new ATOM 0 HG1 THR A 15 0.725 2.862 10.342 1.00 24.41 H new ATOM 0 HG21 THR A 15 0.935 3.229 8.018 1.00 34.31 H new ATOM 0 HG22 THR A 15 -0.193 4.384 7.269 1.00 34.31 H new ATOM 0 HG23 THR A 15 1.088 4.970 8.357 1.00 34.31 H new ATOM 203 N THR A 16 -0.019 7.178 8.816 1.00 3.54 N ATOM 204 CA THR A 16 0.934 8.289 8.869 1.00 71.34 C ATOM 205 C THR A 16 2.368 7.802 9.260 1.00 35.34 C ATOM 206 O THR A 16 3.362 8.244 8.672 1.00 24.42 O ATOM 207 CB THR A 16 0.434 9.430 9.793 1.00 43.23 C ATOM 208 OG1 THR A 16 -0.856 9.886 9.314 1.00 61.21 O ATOM 209 CG2 THR A 16 1.405 10.600 9.800 1.00 24.23 C ATOM 0 H THR A 16 -0.325 6.954 7.869 1.00 3.54 H new ATOM 0 HA THR A 16 1.004 8.704 7.864 1.00 71.34 H new ATOM 0 HB THR A 16 0.356 9.046 10.810 1.00 43.23 H new ATOM 0 HG1 THR A 16 -1.183 10.607 9.892 1.00 61.21 H new ATOM 0 HG21 THR A 16 1.026 11.383 10.457 1.00 24.23 H new ATOM 0 HG22 THR A 16 2.377 10.264 10.160 1.00 24.23 H new ATOM 0 HG23 THR A 16 1.508 10.993 8.789 1.00 24.23 H new ATOM 217 N GLN A 17 2.440 6.880 10.223 1.00 34.11 N ATOM 218 CA GLN A 17 3.688 6.274 10.672 1.00 42.43 C ATOM 219 C GLN A 17 4.341 5.563 9.505 1.00 42.13 C ATOM 220 O GLN A 17 3.651 4.953 8.686 1.00 40.02 O ATOM 221 CB GLN A 17 3.411 5.272 11.793 1.00 2.54 C ATOM 222 CG GLN A 17 2.678 5.863 12.987 1.00 34.13 C ATOM 223 CD GLN A 17 3.411 7.021 13.654 1.00 43.04 C ATOM 224 OE1 GLN A 17 4.723 7.004 13.628 1.00 72.02 O flip ATOM 225 NE2 GLN A 17 2.779 7.920 14.210 1.00 21.30 N flip ATOM 0 H GLN A 17 1.619 6.531 10.718 1.00 34.11 H new ATOM 0 HA GLN A 17 4.352 7.051 11.050 1.00 42.43 H new ATOM 0 HB2 GLN A 17 2.823 4.447 11.391 1.00 2.54 H new ATOM 0 HB3 GLN A 17 4.358 4.852 12.133 1.00 2.54 H new ATOM 0 HG2 GLN A 17 1.696 6.207 12.663 1.00 34.13 H new ATOM 0 HG3 GLN A 17 2.514 5.077 13.725 1.00 34.13 H new ATOM 0 HE21 GLN A 17 1.759 7.901 14.211 1.00 21.30 H new ATOM 0 HE22 GLN A 17 3.275 8.683 14.670 1.00 21.30 H new ATOM 234 N ARG A 18 5.641 5.621 9.429 1.00 32.42 N ATOM 235 CA ARG A 18 6.325 5.094 8.284 1.00 54.54 C ATOM 236 C ARG A 18 6.761 3.657 8.449 1.00 20.24 C ATOM 237 O ARG A 18 7.284 3.253 9.501 1.00 63.12 O ATOM 238 CB ARG A 18 7.506 5.962 7.909 1.00 62.54 C ATOM 239 CG ARG A 18 7.105 7.370 7.572 1.00 61.43 C ATOM 240 CD ARG A 18 8.246 8.153 7.000 1.00 43.11 C ATOM 241 NE ARG A 18 9.330 8.336 7.964 1.00 24.45 N ATOM 242 CZ ARG A 18 10.464 9.009 7.744 1.00 53.31 C ATOM 243 NH1 ARG A 18 10.698 9.584 6.565 1.00 34.43 N ATOM 244 NH2 ARG A 18 11.365 9.101 8.715 1.00 41.21 N ATOM 0 H ARG A 18 6.245 6.026 10.144 1.00 32.42 H new ATOM 0 HA ARG A 18 5.597 5.106 7.473 1.00 54.54 H new ATOM 0 HB2 ARG A 18 8.217 5.979 8.735 1.00 62.54 H new ATOM 0 HB3 ARG A 18 8.020 5.520 7.055 1.00 62.54 H new ATOM 0 HG2 ARG A 18 6.282 7.352 6.857 1.00 61.43 H new ATOM 0 HG3 ARG A 18 6.737 7.867 8.469 1.00 61.43 H new ATOM 0 HD2 ARG A 18 8.630 7.641 6.118 1.00 43.11 H new ATOM 0 HD3 ARG A 18 7.886 9.128 6.671 1.00 43.11 H new ATOM 0 HE ARG A 18 9.211 7.913 8.885 1.00 24.45 H new ATOM 0 HH11 ARG A 18 10.008 9.514 5.817 1.00 34.43 H new ATOM 0 HH12 ARG A 18 11.567 10.095 6.410 1.00 34.43 H new ATOM 0 HH21 ARG A 18 11.188 8.661 9.618 1.00 41.21 H new ATOM 0 HH22 ARG A 18 12.234 9.612 8.558 1.00 41.21 H new ATOM 258 N LEU A 19 6.540 2.892 7.414 1.00 31.31 N ATOM 259 CA LEU A 19 6.977 1.520 7.340 1.00 12.14 C ATOM 260 C LEU A 19 8.116 1.442 6.350 1.00 54.05 C ATOM 261 O LEU A 19 8.129 2.209 5.385 1.00 34.21 O ATOM 262 CB LEU A 19 5.846 0.557 6.882 1.00 31.23 C ATOM 263 CG LEU A 19 4.651 0.315 7.829 1.00 55.01 C ATOM 264 CD1 LEU A 19 3.805 1.561 8.033 1.00 43.32 C ATOM 265 CD2 LEU A 19 3.800 -0.828 7.313 1.00 3.43 C ATOM 0 H LEU A 19 6.042 3.209 6.582 1.00 31.31 H new ATOM 0 HA LEU A 19 7.285 1.208 8.338 1.00 12.14 H new ATOM 0 HB2 LEU A 19 5.450 0.936 5.940 1.00 31.23 H new ATOM 0 HB3 LEU A 19 6.301 -0.410 6.670 1.00 31.23 H new ATOM 0 HG LEU A 19 5.060 0.050 8.804 1.00 55.01 H new ATOM 0 HD11 LEU A 19 2.979 1.334 8.707 1.00 43.32 H new ATOM 0 HD12 LEU A 19 4.419 2.351 8.465 1.00 43.32 H new ATOM 0 HD13 LEU A 19 3.409 1.893 7.073 1.00 43.32 H new ATOM 0 HD21 LEU A 19 2.960 -0.990 7.989 1.00 3.43 H new ATOM 0 HD22 LEU A 19 3.425 -0.582 6.320 1.00 3.43 H new ATOM 0 HD23 LEU A 19 4.403 -1.735 7.259 1.00 3.43 H new ATOM 277 N PRO A 20 9.099 0.549 6.572 1.00 12.10 N ATOM 278 CA PRO A 20 10.205 0.366 5.636 1.00 71.30 C ATOM 279 C PRO A 20 9.679 -0.027 4.264 1.00 65.52 C ATOM 280 O PRO A 20 8.754 -0.851 4.154 1.00 54.01 O ATOM 281 CB PRO A 20 11.013 -0.796 6.223 1.00 43.33 C ATOM 282 CG PRO A 20 10.577 -0.929 7.638 1.00 3.13 C ATOM 283 CD PRO A 20 9.204 -0.328 7.746 1.00 33.02 C ATOM 0 HA PRO A 20 10.793 1.276 5.512 1.00 71.30 H new ATOM 0 HB2 PRO A 20 10.829 -1.717 5.670 1.00 43.33 H new ATOM 0 HB3 PRO A 20 12.083 -0.597 6.162 1.00 43.33 H new ATOM 0 HG2 PRO A 20 10.561 -1.977 7.937 1.00 3.13 H new ATOM 0 HG3 PRO A 20 11.273 -0.418 8.303 1.00 3.13 H new ATOM 0 HD2 PRO A 20 8.431 -1.097 7.739 1.00 33.02 H new ATOM 0 HD3 PRO A 20 9.087 0.233 8.673 1.00 33.02 H new ATOM 291 N CYS A 21 10.272 0.518 3.228 1.00 14.32 N ATOM 292 CA CYS A 21 9.822 0.268 1.872 1.00 10.21 C ATOM 293 C CYS A 21 10.148 -1.188 1.505 1.00 21.32 C ATOM 294 O CYS A 21 9.528 -1.792 0.618 1.00 2.23 O ATOM 295 CB CYS A 21 10.484 1.248 0.900 1.00 44.15 C ATOM 296 SG CYS A 21 9.513 1.565 -0.595 1.00 12.42 S ATOM 0 H CYS A 21 11.075 1.144 3.296 1.00 14.32 H new ATOM 0 HA CYS A 21 8.745 0.420 1.803 1.00 10.21 H new ATOM 0 HB2 CYS A 21 10.660 2.193 1.415 1.00 44.15 H new ATOM 0 HB3 CYS A 21 11.459 0.856 0.612 1.00 44.15 H new ATOM 301 N SER A 22 11.107 -1.750 2.230 1.00 61.44 N ATOM 302 CA SER A 22 11.481 -3.142 2.120 1.00 13.45 C ATOM 303 C SER A 22 10.314 -4.042 2.579 1.00 5.32 C ATOM 304 O SER A 22 10.203 -5.186 2.162 1.00 50.34 O ATOM 305 CB SER A 22 12.742 -3.399 2.984 1.00 60.11 C ATOM 306 OG SER A 22 13.146 -4.764 2.960 1.00 32.21 O ATOM 0 H SER A 22 11.653 -1.236 2.922 1.00 61.44 H new ATOM 0 HA SER A 22 11.706 -3.381 1.081 1.00 13.45 H new ATOM 0 HB2 SER A 22 13.560 -2.774 2.624 1.00 60.11 H new ATOM 0 HB3 SER A 22 12.542 -3.100 4.013 1.00 60.11 H new ATOM 0 HG SER A 22 13.945 -4.879 3.516 1.00 32.21 H new ATOM 312 N ARG A 23 9.425 -3.501 3.412 1.00 11.44 N ATOM 313 CA ARG A 23 8.314 -4.277 3.926 1.00 32.41 C ATOM 314 C ARG A 23 7.054 -4.100 3.093 1.00 40.43 C ATOM 315 O ARG A 23 6.053 -4.776 3.329 1.00 52.02 O ATOM 316 CB ARG A 23 8.048 -3.988 5.404 1.00 63.42 C ATOM 317 CG ARG A 23 9.193 -4.401 6.305 1.00 10.11 C ATOM 318 CD ARG A 23 8.880 -4.174 7.771 1.00 22.41 C ATOM 319 NE ARG A 23 10.005 -4.570 8.623 1.00 75.42 N ATOM 320 CZ ARG A 23 10.136 -4.275 9.919 1.00 41.52 C ATOM 321 NH1 ARG A 23 9.215 -3.551 10.537 1.00 23.44 N ATOM 322 NH2 ARG A 23 11.186 -4.706 10.593 1.00 33.23 N ATOM 0 H ARG A 23 9.458 -2.535 3.739 1.00 11.44 H new ATOM 0 HA ARG A 23 8.608 -5.324 3.846 1.00 32.41 H new ATOM 0 HB2 ARG A 23 7.859 -2.922 5.531 1.00 63.42 H new ATOM 0 HB3 ARG A 23 7.143 -4.511 5.713 1.00 63.42 H new ATOM 0 HG2 ARG A 23 9.419 -5.455 6.143 1.00 10.11 H new ATOM 0 HG3 ARG A 23 10.087 -3.838 6.035 1.00 10.11 H new ATOM 0 HD2 ARG A 23 8.648 -3.122 7.937 1.00 22.41 H new ATOM 0 HD3 ARG A 23 7.993 -4.744 8.048 1.00 22.41 H new ATOM 0 HE ARG A 23 10.750 -5.116 8.190 1.00 75.42 H new ATOM 0 HH11 ARG A 23 8.400 -3.216 10.023 1.00 23.44 H new ATOM 0 HH12 ARG A 23 9.320 -3.329 11.527 1.00 23.44 H new ATOM 0 HH21 ARG A 23 11.899 -5.265 10.124 1.00 33.23 H new ATOM 0 HH22 ARG A 23 11.285 -4.480 11.583 1.00 33.23 H new ATOM 336 N ILE A 24 7.098 -3.199 2.133 1.00 32.22 N ATOM 337 CA ILE A 24 5.978 -3.008 1.224 1.00 62.35 C ATOM 338 C ILE A 24 5.951 -4.182 0.250 1.00 63.15 C ATOM 339 O ILE A 24 6.976 -4.520 -0.341 1.00 1.23 O ATOM 340 CB ILE A 24 6.114 -1.706 0.375 1.00 51.23 C ATOM 341 CG1 ILE A 24 6.163 -0.432 1.250 1.00 74.02 C ATOM 342 CG2 ILE A 24 4.952 -1.624 -0.617 1.00 60.45 C ATOM 343 CD1 ILE A 24 4.850 -0.054 1.900 1.00 15.11 C ATOM 0 H ILE A 24 7.895 -2.586 1.959 1.00 32.22 H new ATOM 0 HA ILE A 24 5.072 -2.936 1.826 1.00 62.35 H new ATOM 0 HB ILE A 24 7.061 -1.756 -0.162 1.00 51.23 H new ATOM 0 HG12 ILE A 24 6.910 -0.574 2.031 1.00 74.02 H new ATOM 0 HG13 ILE A 24 6.500 0.402 0.634 1.00 74.02 H new ATOM 0 HG21 ILE A 24 5.045 -0.715 -1.212 1.00 60.45 H new ATOM 0 HG22 ILE A 24 4.974 -2.492 -1.276 1.00 60.45 H new ATOM 0 HG23 ILE A 24 4.008 -1.606 -0.072 1.00 60.45 H new ATOM 0 HD11 ILE A 24 4.985 0.851 2.492 1.00 15.11 H new ATOM 0 HD12 ILE A 24 4.101 0.125 1.129 1.00 15.11 H new ATOM 0 HD13 ILE A 24 4.518 -0.865 2.548 1.00 15.11 H new ATOM 355 N LYS A 25 4.823 -4.803 0.102 1.00 1.34 N ATOM 356 CA LYS A 25 4.695 -5.868 -0.850 1.00 44.43 C ATOM 357 C LYS A 25 3.973 -5.316 -2.068 1.00 13.41 C ATOM 358 O LYS A 25 4.468 -5.405 -3.189 1.00 32.14 O ATOM 359 CB LYS A 25 3.917 -7.030 -0.208 1.00 71.43 C ATOM 360 CG LYS A 25 3.905 -8.375 -0.978 1.00 72.35 C ATOM 361 CD LYS A 25 3.140 -8.323 -2.301 1.00 4.43 C ATOM 362 CE LYS A 25 3.182 -9.656 -3.029 1.00 73.33 C ATOM 363 NZ LYS A 25 4.560 -10.054 -3.400 1.00 51.42 N ATOM 0 H LYS A 25 3.975 -4.593 0.628 1.00 1.34 H new ATOM 0 HA LYS A 25 5.669 -6.251 -1.155 1.00 44.43 H new ATOM 0 HB2 LYS A 25 4.333 -7.210 0.783 1.00 71.43 H new ATOM 0 HB3 LYS A 25 2.884 -6.710 -0.067 1.00 71.43 H new ATOM 0 HG2 LYS A 25 4.933 -8.679 -1.175 1.00 72.35 H new ATOM 0 HG3 LYS A 25 3.462 -9.142 -0.343 1.00 72.35 H new ATOM 0 HD2 LYS A 25 2.103 -8.045 -2.111 1.00 4.43 H new ATOM 0 HD3 LYS A 25 3.566 -7.548 -2.937 1.00 4.43 H new ATOM 0 HE2 LYS A 25 2.742 -10.427 -2.396 1.00 73.33 H new ATOM 0 HE3 LYS A 25 2.570 -9.595 -3.929 1.00 73.33 H new ATOM 0 HZ1 LYS A 25 4.524 -10.865 -4.050 1.00 51.42 H new ATOM 0 HZ2 LYS A 25 5.038 -9.257 -3.867 1.00 51.42 H new ATOM 0 HZ3 LYS A 25 5.087 -10.320 -2.544 1.00 51.42 H new ATOM 377 N THR A 26 2.821 -4.727 -1.834 1.00 11.05 N ATOM 378 CA THR A 26 2.016 -4.193 -2.889 1.00 62.22 C ATOM 379 C THR A 26 1.081 -3.143 -2.301 1.00 42.33 C ATOM 380 O THR A 26 0.955 -3.048 -1.072 1.00 5.45 O ATOM 381 CB THR A 26 1.196 -5.314 -3.599 1.00 1.44 C ATOM 382 OG1 THR A 26 0.608 -4.803 -4.792 1.00 54.14 O ATOM 383 CG2 THR A 26 0.092 -5.863 -2.698 1.00 3.11 C ATOM 0 H THR A 26 2.423 -4.609 -0.902 1.00 11.05 H new ATOM 0 HA THR A 26 2.664 -3.740 -3.640 1.00 62.22 H new ATOM 0 HB THR A 26 1.885 -6.125 -3.834 1.00 1.44 H new ATOM 0 HG1 THR A 26 0.096 -5.512 -5.234 1.00 54.14 H new ATOM 0 HG21 THR A 26 -0.457 -6.642 -3.228 1.00 3.11 H new ATOM 0 HG22 THR A 26 0.535 -6.282 -1.794 1.00 3.11 H new ATOM 0 HG23 THR A 26 -0.591 -5.058 -2.428 1.00 3.11 H new ATOM 391 N TYR A 27 0.457 -2.352 -3.145 1.00 15.44 N ATOM 392 CA TYR A 27 -0.450 -1.337 -2.676 1.00 34.32 C ATOM 393 C TYR A 27 -1.727 -1.352 -3.503 1.00 62.40 C ATOM 394 O TYR A 27 -1.772 -1.919 -4.589 1.00 14.52 O ATOM 395 CB TYR A 27 0.178 0.076 -2.744 1.00 65.32 C ATOM 396 CG TYR A 27 0.385 0.602 -4.136 1.00 61.13 C ATOM 397 CD1 TYR A 27 -0.660 1.220 -4.802 1.00 30.12 C ATOM 398 CD2 TYR A 27 1.597 0.492 -4.781 1.00 31.22 C ATOM 399 CE1 TYR A 27 -0.518 1.710 -6.056 1.00 75.40 C ATOM 400 CE2 TYR A 27 1.755 0.991 -6.065 1.00 62.32 C ATOM 401 CZ TYR A 27 0.689 1.599 -6.696 1.00 20.34 C ATOM 402 OH TYR A 27 0.835 2.106 -7.968 1.00 52.14 O ATOM 0 H TYR A 27 0.563 -2.395 -4.159 1.00 15.44 H new ATOM 0 HA TYR A 27 -0.674 -1.563 -1.634 1.00 34.32 H new ATOM 0 HB2 TYR A 27 -0.462 0.770 -2.199 1.00 65.32 H new ATOM 0 HB3 TYR A 27 1.139 0.057 -2.230 1.00 65.32 H new ATOM 0 HD1 TYR A 27 -1.615 1.314 -4.307 1.00 30.12 H new ATOM 0 HD2 TYR A 27 2.429 0.015 -4.284 1.00 31.22 H new ATOM 0 HE1 TYR A 27 -1.352 2.186 -6.550 1.00 75.40 H new ATOM 0 HE2 TYR A 27 2.707 0.904 -6.568 1.00 62.32 H new ATOM 0 HH TYR A 27 0.238 2.874 -8.085 1.00 52.14 H new ATOM 412 N THR A 28 -2.733 -0.749 -2.969 1.00 2.44 N ATOM 413 CA THR A 28 -3.985 -0.542 -3.625 1.00 34.30 C ATOM 414 C THR A 28 -4.476 0.855 -3.255 1.00 4.23 C ATOM 415 O THR A 28 -4.615 1.164 -2.075 1.00 30.33 O ATOM 416 CB THR A 28 -5.013 -1.591 -3.173 1.00 51.42 C ATOM 417 OG1 THR A 28 -4.514 -2.913 -3.469 1.00 23.40 O ATOM 418 CG2 THR A 28 -6.345 -1.397 -3.871 1.00 61.41 C ATOM 0 H THR A 28 -2.708 -0.369 -2.023 1.00 2.44 H new ATOM 0 HA THR A 28 -3.861 -0.637 -4.704 1.00 34.30 H new ATOM 0 HB THR A 28 -5.165 -1.473 -2.100 1.00 51.42 H new ATOM 0 HG1 THR A 28 -5.169 -3.582 -3.179 1.00 23.40 H new ATOM 0 HG21 THR A 28 -7.049 -2.155 -3.529 1.00 61.41 H new ATOM 0 HG22 THR A 28 -6.737 -0.407 -3.639 1.00 61.41 H new ATOM 0 HG23 THR A 28 -6.208 -1.489 -4.948 1.00 61.41 H new ATOM 426 N ILE A 29 -4.714 1.693 -4.220 1.00 11.42 N ATOM 427 CA ILE A 29 -5.186 3.032 -3.913 1.00 42.52 C ATOM 428 C ILE A 29 -6.688 3.079 -4.082 1.00 75.21 C ATOM 429 O ILE A 29 -7.207 2.766 -5.145 1.00 2.21 O ATOM 430 CB ILE A 29 -4.534 4.130 -4.797 1.00 35.53 C ATOM 431 CG1 ILE A 29 -3.004 4.099 -4.666 1.00 23.33 C ATOM 432 CG2 ILE A 29 -5.068 5.511 -4.402 1.00 54.20 C ATOM 433 CD1 ILE A 29 -2.306 5.153 -5.488 1.00 44.43 C ATOM 0 H ILE A 29 -4.595 1.489 -5.212 1.00 11.42 H new ATOM 0 HA ILE A 29 -4.899 3.244 -2.883 1.00 42.52 H new ATOM 0 HB ILE A 29 -4.794 3.932 -5.837 1.00 35.53 H new ATOM 0 HG12 ILE A 29 -2.735 4.230 -3.618 1.00 23.33 H new ATOM 0 HG13 ILE A 29 -2.642 3.116 -4.967 1.00 23.33 H new ATOM 0 HG21 ILE A 29 -4.604 6.273 -5.028 1.00 54.20 H new ATOM 0 HG22 ILE A 29 -6.149 5.536 -4.540 1.00 54.20 H new ATOM 0 HG23 ILE A 29 -4.831 5.707 -3.356 1.00 54.20 H new ATOM 0 HD11 ILE A 29 -1.228 5.071 -5.346 1.00 44.43 H new ATOM 0 HD12 ILE A 29 -2.545 5.010 -6.542 1.00 44.43 H new ATOM 0 HD13 ILE A 29 -2.639 6.141 -5.171 1.00 44.43 H new ATOM 445 N THR A 30 -7.375 3.481 -3.051 1.00 63.04 N ATOM 446 CA THR A 30 -8.806 3.506 -3.080 1.00 31.42 C ATOM 447 C THR A 30 -9.298 4.882 -2.748 1.00 33.23 C ATOM 448 O THR A 30 -8.710 5.565 -1.905 1.00 43.44 O ATOM 449 CB THR A 30 -9.422 2.460 -2.117 1.00 22.11 C ATOM 450 OG1 THR A 30 -8.934 2.646 -0.779 1.00 34.04 O ATOM 451 CG2 THR A 30 -9.103 1.045 -2.574 1.00 1.32 C ATOM 0 H THR A 30 -6.961 3.798 -2.174 1.00 63.04 H new ATOM 0 HA THR A 30 -9.126 3.242 -4.088 1.00 31.42 H new ATOM 0 HB THR A 30 -10.502 2.604 -2.128 1.00 22.11 H new ATOM 0 HG1 THR A 30 -9.337 1.976 -0.188 1.00 34.04 H new ATOM 0 HG21 THR A 30 -9.547 0.330 -1.881 1.00 1.32 H new ATOM 0 HG22 THR A 30 -9.511 0.884 -3.572 1.00 1.32 H new ATOM 0 HG23 THR A 30 -8.022 0.905 -2.597 1.00 1.32 H new ATOM 511 N ARG A 35 -9.172 9.318 0.094 1.00 41.41 N ATOM 512 CA ARG A 35 -8.312 8.517 -0.744 1.00 41.31 C ATOM 513 C ARG A 35 -7.217 7.955 0.114 1.00 52.32 C ATOM 514 O ARG A 35 -6.442 8.701 0.712 1.00 72.42 O ATOM 515 CB ARG A 35 -7.741 9.382 -1.881 1.00 25.51 C ATOM 516 CG ARG A 35 -6.875 8.637 -2.890 1.00 34.43 C ATOM 517 CD ARG A 35 -6.427 9.573 -4.000 1.00 55.30 C ATOM 518 NE ARG A 35 -5.659 8.889 -5.051 1.00 4.32 N ATOM 519 CZ ARG A 35 -4.747 9.485 -5.844 1.00 23.30 C ATOM 520 NH1 ARG A 35 -4.481 10.786 -5.701 1.00 72.34 N ATOM 521 NH2 ARG A 35 -4.115 8.777 -6.783 1.00 34.41 N ATOM 0 HA ARG A 35 -8.869 7.698 -1.200 1.00 41.31 H new ATOM 0 HB2 ARG A 35 -8.570 9.849 -2.412 1.00 25.51 H new ATOM 0 HB3 ARG A 35 -7.150 10.186 -1.443 1.00 25.51 H new ATOM 0 HG2 ARG A 35 -6.004 8.214 -2.389 1.00 34.43 H new ATOM 0 HG3 ARG A 35 -7.435 7.803 -3.313 1.00 34.43 H new ATOM 0 HD2 ARG A 35 -7.303 10.045 -4.446 1.00 55.30 H new ATOM 0 HD3 ARG A 35 -5.818 10.370 -3.573 1.00 55.30 H new ATOM 0 HE ARG A 35 -5.829 7.893 -5.190 1.00 4.32 H new ATOM 0 HH11 ARG A 35 -4.969 11.331 -4.990 1.00 72.34 H new ATOM 0 HH12 ARG A 35 -3.790 11.234 -6.303 1.00 72.34 H new ATOM 0 HH21 ARG A 35 -4.323 7.785 -6.900 1.00 34.41 H new ATOM 0 HH22 ARG A 35 -3.425 9.228 -7.383 1.00 34.41 H new ATOM 535 N ALA A 36 -7.170 6.667 0.198 1.00 15.25 N ATOM 536 CA ALA A 36 -6.209 5.994 1.009 1.00 63.13 C ATOM 537 C ALA A 36 -5.536 4.917 0.207 1.00 25.24 C ATOM 538 O ALA A 36 -6.187 4.232 -0.610 1.00 41.13 O ATOM 539 CB ALA A 36 -6.884 5.391 2.234 1.00 63.14 C ATOM 0 H ALA A 36 -7.805 6.044 -0.301 1.00 15.25 H new ATOM 0 HA ALA A 36 -5.460 6.712 1.343 1.00 63.13 H new ATOM 0 HB1 ALA A 36 -6.140 4.880 2.845 1.00 63.14 H new ATOM 0 HB2 ALA A 36 -7.352 6.183 2.819 1.00 63.14 H new ATOM 0 HB3 ALA A 36 -7.644 4.678 1.916 1.00 63.14 H new ATOM 545 N VAL A 37 -4.254 4.785 0.387 1.00 1.24 N ATOM 546 CA VAL A 37 -3.520 3.754 -0.251 1.00 14.44 C ATOM 547 C VAL A 37 -3.227 2.643 0.750 1.00 70.12 C ATOM 548 O VAL A 37 -2.621 2.865 1.804 1.00 33.22 O ATOM 549 CB VAL A 37 -2.226 4.278 -0.946 1.00 61.05 C ATOM 550 CG1 VAL A 37 -1.339 5.027 0.014 1.00 64.12 C ATOM 551 CG2 VAL A 37 -1.463 3.143 -1.601 1.00 42.41 C ATOM 0 H VAL A 37 -3.695 5.395 0.983 1.00 1.24 H new ATOM 0 HA VAL A 37 -4.133 3.347 -1.055 1.00 14.44 H new ATOM 0 HB VAL A 37 -2.538 4.978 -1.721 1.00 61.05 H new ATOM 0 HG11 VAL A 37 -0.449 5.375 -0.509 1.00 64.12 H new ATOM 0 HG12 VAL A 37 -1.880 5.883 0.418 1.00 64.12 H new ATOM 0 HG13 VAL A 37 -1.045 4.366 0.829 1.00 64.12 H new ATOM 0 HG21 VAL A 37 -0.565 3.536 -2.078 1.00 42.41 H new ATOM 0 HG22 VAL A 37 -1.181 2.410 -0.845 1.00 42.41 H new ATOM 0 HG23 VAL A 37 -2.094 2.666 -2.351 1.00 42.41 H new ATOM 561 N ILE A 38 -3.694 1.484 0.437 1.00 43.22 N ATOM 562 CA ILE A 38 -3.547 0.347 1.288 1.00 31.43 C ATOM 563 C ILE A 38 -2.328 -0.441 0.865 1.00 53.31 C ATOM 564 O ILE A 38 -2.260 -0.935 -0.257 1.00 73.53 O ATOM 565 CB ILE A 38 -4.810 -0.555 1.228 1.00 31.24 C ATOM 566 CG1 ILE A 38 -6.052 0.258 1.632 1.00 73.12 C ATOM 567 CG2 ILE A 38 -4.649 -1.782 2.133 1.00 75.53 C ATOM 568 CD1 ILE A 38 -7.350 -0.517 1.573 1.00 21.23 C ATOM 0 H ILE A 38 -4.197 1.293 -0.430 1.00 43.22 H new ATOM 0 HA ILE A 38 -3.424 0.690 2.315 1.00 31.43 H new ATOM 0 HB ILE A 38 -4.937 -0.909 0.205 1.00 31.24 H new ATOM 0 HG12 ILE A 38 -5.912 0.633 2.646 1.00 73.12 H new ATOM 0 HG13 ILE A 38 -6.131 1.127 0.979 1.00 73.12 H new ATOM 0 HG21 ILE A 38 -5.546 -2.398 2.074 1.00 75.53 H new ATOM 0 HG22 ILE A 38 -3.787 -2.364 1.807 1.00 75.53 H new ATOM 0 HG23 ILE A 38 -4.499 -1.457 3.163 1.00 75.53 H new ATOM 0 HD11 ILE A 38 -8.174 0.130 1.873 1.00 21.23 H new ATOM 0 HD12 ILE A 38 -7.517 -0.869 0.555 1.00 21.23 H new ATOM 0 HD13 ILE A 38 -7.295 -1.371 2.248 1.00 21.23 H new ATOM 580 N PHE A 39 -1.376 -0.527 1.741 1.00 2.44 N ATOM 581 CA PHE A 39 -0.175 -1.266 1.503 1.00 14.15 C ATOM 582 C PHE A 39 -0.231 -2.573 2.183 1.00 51.13 C ATOM 583 O PHE A 39 -0.480 -2.652 3.382 1.00 64.15 O ATOM 584 CB PHE A 39 1.065 -0.523 1.975 1.00 31.12 C ATOM 585 CG PHE A 39 1.414 0.640 1.139 1.00 13.21 C ATOM 586 CD1 PHE A 39 2.088 0.449 -0.041 1.00 31.34 C ATOM 587 CD2 PHE A 39 1.089 1.911 1.522 1.00 31.31 C ATOM 588 CE1 PHE A 39 2.426 1.501 -0.838 1.00 74.23 C ATOM 589 CE2 PHE A 39 1.427 2.979 0.732 1.00 61.35 C ATOM 590 CZ PHE A 39 2.097 2.765 -0.458 1.00 11.42 C ATOM 0 H PHE A 39 -1.412 -0.079 2.656 1.00 2.44 H new ATOM 0 HA PHE A 39 -0.103 -1.403 0.424 1.00 14.15 H new ATOM 0 HB2 PHE A 39 0.909 -0.188 3.000 1.00 31.12 H new ATOM 0 HB3 PHE A 39 1.908 -1.214 1.990 1.00 31.12 H new ATOM 0 HD1 PHE A 39 2.355 -0.553 -0.343 1.00 31.34 H new ATOM 0 HD2 PHE A 39 0.564 2.075 2.451 1.00 31.31 H new ATOM 0 HE1 PHE A 39 2.952 1.332 -1.766 1.00 74.23 H new ATOM 0 HE2 PHE A 39 1.171 3.983 1.038 1.00 61.35 H new ATOM 0 HZ PHE A 39 2.360 3.603 -1.087 1.00 11.42 H new ATOM 600 N ILE A 40 -0.015 -3.593 1.457 1.00 74.13 N ATOM 601 CA ILE A 40 0.032 -4.866 2.046 1.00 12.54 C ATOM 602 C ILE A 40 1.481 -5.133 2.306 1.00 64.45 C ATOM 603 O ILE A 40 2.312 -4.978 1.401 1.00 14.23 O ATOM 604 CB ILE A 40 -0.531 -5.974 1.131 1.00 24.22 C ATOM 605 CG1 ILE A 40 -1.849 -5.526 0.471 1.00 1.21 C ATOM 606 CG2 ILE A 40 -0.775 -7.231 1.966 1.00 2.04 C ATOM 607 CD1 ILE A 40 -2.958 -5.151 1.450 1.00 51.35 C ATOM 0 H ILE A 40 0.133 -3.572 0.448 1.00 74.13 H new ATOM 0 HA ILE A 40 -0.581 -4.877 2.947 1.00 12.54 H new ATOM 0 HB ILE A 40 0.191 -6.181 0.342 1.00 24.22 H new ATOM 0 HG12 ILE A 40 -1.645 -4.669 -0.171 1.00 1.21 H new ATOM 0 HG13 ILE A 40 -2.208 -6.329 -0.173 1.00 1.21 H new ATOM 0 HG21 ILE A 40 -1.173 -8.020 1.328 1.00 2.04 H new ATOM 0 HG22 ILE A 40 0.165 -7.562 2.409 1.00 2.04 H new ATOM 0 HG23 ILE A 40 -1.491 -7.009 2.758 1.00 2.04 H new ATOM 0 HD11 ILE A 40 -3.846 -4.849 0.895 1.00 51.35 H new ATOM 0 HD12 ILE A 40 -3.196 -6.011 2.076 1.00 51.35 H new ATOM 0 HD13 ILE A 40 -2.625 -4.325 2.079 1.00 51.35 H new ATOM 619 N THR A 41 1.805 -5.466 3.505 1.00 14.32 N ATOM 620 CA THR A 41 3.160 -5.736 3.840 1.00 13.52 C ATOM 621 C THR A 41 3.454 -7.208 3.529 1.00 75.32 C ATOM 622 O THR A 41 2.522 -8.015 3.430 1.00 1.35 O ATOM 623 CB THR A 41 3.457 -5.379 5.332 1.00 3.51 C ATOM 624 OG1 THR A 41 4.843 -5.539 5.617 1.00 24.32 O ATOM 625 CG2 THR A 41 2.648 -6.245 6.282 1.00 72.13 C ATOM 0 H THR A 41 1.145 -5.559 4.277 1.00 14.32 H new ATOM 0 HA THR A 41 3.821 -5.109 3.242 1.00 13.52 H new ATOM 0 HB THR A 41 3.171 -4.338 5.480 1.00 3.51 H new ATOM 0 HG1 THR A 41 5.369 -5.314 4.821 1.00 24.32 H new ATOM 0 HG21 THR A 41 2.879 -5.970 7.311 1.00 72.13 H new ATOM 0 HG22 THR A 41 1.585 -6.094 6.096 1.00 72.13 H new ATOM 0 HG23 THR A 41 2.899 -7.294 6.122 1.00 72.13 H new ATOM 633 N LYS A 42 4.730 -7.564 3.380 1.00 33.42 N ATOM 634 CA LYS A 42 5.115 -8.935 3.005 1.00 5.33 C ATOM 635 C LYS A 42 4.776 -9.956 4.090 1.00 74.13 C ATOM 636 O LYS A 42 4.796 -11.169 3.849 1.00 5.35 O ATOM 637 CB LYS A 42 6.592 -9.020 2.622 1.00 75.05 C ATOM 638 CG LYS A 42 6.975 -8.137 1.447 1.00 11.03 C ATOM 639 CD LYS A 42 8.413 -8.366 0.997 1.00 50.54 C ATOM 640 CE LYS A 42 9.420 -8.106 2.104 1.00 11.23 C ATOM 641 NZ LYS A 42 10.812 -8.250 1.623 1.00 12.34 N ATOM 0 H LYS A 42 5.516 -6.928 3.512 1.00 33.42 H new ATOM 0 HA LYS A 42 4.521 -9.190 2.127 1.00 5.33 H new ATOM 0 HB2 LYS A 42 7.198 -8.743 3.485 1.00 75.05 H new ATOM 0 HB3 LYS A 42 6.836 -10.055 2.381 1.00 75.05 H new ATOM 0 HG2 LYS A 42 6.300 -8.332 0.613 1.00 11.03 H new ATOM 0 HG3 LYS A 42 6.845 -7.091 1.724 1.00 11.03 H new ATOM 0 HD2 LYS A 42 8.521 -9.392 0.646 1.00 50.54 H new ATOM 0 HD3 LYS A 42 8.633 -7.715 0.151 1.00 50.54 H new ATOM 0 HE2 LYS A 42 9.274 -7.101 2.500 1.00 11.23 H new ATOM 0 HE3 LYS A 42 9.245 -8.801 2.925 1.00 11.23 H new ATOM 0 HZ1 LYS A 42 11.471 -8.065 2.406 1.00 12.34 H new ATOM 0 HZ2 LYS A 42 10.958 -9.217 1.268 1.00 12.34 H new ATOM 0 HZ3 LYS A 42 10.986 -7.570 0.856 1.00 12.34 H new ATOM 655 N ARG A 43 4.450 -9.463 5.266 1.00 34.23 N ATOM 656 CA ARG A 43 4.051 -10.304 6.374 1.00 22.44 C ATOM 657 C ARG A 43 2.604 -10.778 6.111 1.00 31.22 C ATOM 658 O ARG A 43 2.155 -11.769 6.656 1.00 12.02 O ATOM 659 CB ARG A 43 4.215 -9.480 7.691 1.00 14.05 C ATOM 660 CG ARG A 43 4.219 -10.236 9.048 1.00 44.54 C ATOM 661 CD ARG A 43 2.872 -10.292 9.788 1.00 15.41 C ATOM 662 NE ARG A 43 1.859 -11.135 9.168 1.00 11.31 N ATOM 663 CZ ARG A 43 0.754 -11.564 9.784 1.00 53.43 C ATOM 664 NH1 ARG A 43 0.547 -11.271 11.073 1.00 41.40 N ATOM 665 NH2 ARG A 43 -0.139 -12.289 9.119 1.00 75.41 N ATOM 0 H ARG A 43 4.454 -8.466 5.481 1.00 34.23 H new ATOM 0 HA ARG A 43 4.669 -11.196 6.477 1.00 22.44 H new ATOM 0 HB2 ARG A 43 5.150 -8.925 7.619 1.00 14.05 H new ATOM 0 HB3 ARG A 43 3.410 -8.746 7.724 1.00 14.05 H new ATOM 0 HG2 ARG A 43 4.558 -11.257 8.872 1.00 44.54 H new ATOM 0 HG3 ARG A 43 4.952 -9.765 9.703 1.00 44.54 H new ATOM 0 HD2 ARG A 43 3.048 -10.649 10.803 1.00 15.41 H new ATOM 0 HD3 ARG A 43 2.478 -9.279 9.870 1.00 15.41 H new ATOM 0 HE ARG A 43 2.003 -11.417 8.198 1.00 11.31 H new ATOM 0 HH11 ARG A 43 1.234 -10.719 11.587 1.00 41.40 H new ATOM 0 HH12 ARG A 43 -0.297 -11.600 11.541 1.00 41.40 H new ATOM 0 HH21 ARG A 43 0.019 -12.518 8.138 1.00 75.41 H new ATOM 0 HH22 ARG A 43 -0.983 -12.616 9.590 1.00 75.41 H new ATOM 679 N GLY A 44 1.918 -10.087 5.203 1.00 54.10 N ATOM 680 CA GLY A 44 0.559 -10.443 4.829 1.00 11.21 C ATOM 681 C GLY A 44 -0.499 -9.589 5.497 1.00 71.12 C ATOM 682 O GLY A 44 -1.689 -9.874 5.397 1.00 13.05 O ATOM 0 H GLY A 44 2.288 -9.273 4.712 1.00 54.10 H new ATOM 0 HA2 GLY A 44 0.454 -10.356 3.748 1.00 11.21 H new ATOM 0 HA3 GLY A 44 0.383 -11.488 5.083 1.00 11.21 H new ATOM 686 N LEU A 45 -0.076 -8.542 6.163 1.00 65.35 N ATOM 687 CA LEU A 45 -1.014 -7.629 6.798 1.00 60.45 C ATOM 688 C LEU A 45 -1.291 -6.455 5.918 1.00 63.25 C ATOM 689 O LEU A 45 -0.442 -6.033 5.131 1.00 42.20 O ATOM 690 CB LEU A 45 -0.519 -7.158 8.151 1.00 12.50 C ATOM 691 CG LEU A 45 -0.416 -8.219 9.228 1.00 15.10 C ATOM 692 CD1 LEU A 45 0.096 -7.602 10.501 1.00 3.50 C ATOM 693 CD2 LEU A 45 -1.770 -8.881 9.470 1.00 41.41 C ATOM 0 H LEU A 45 0.907 -8.296 6.283 1.00 65.35 H new ATOM 0 HA LEU A 45 -1.940 -8.182 6.955 1.00 60.45 H new ATOM 0 HB2 LEU A 45 0.464 -6.706 8.019 1.00 12.50 H new ATOM 0 HB3 LEU A 45 -1.186 -6.372 8.506 1.00 12.50 H new ATOM 0 HG LEU A 45 0.282 -8.987 8.894 1.00 15.10 H new ATOM 0 HD11 LEU A 45 0.169 -8.368 11.273 1.00 3.50 H new ATOM 0 HD12 LEU A 45 1.081 -7.169 10.325 1.00 3.50 H new ATOM 0 HD13 LEU A 45 -0.590 -6.821 10.828 1.00 3.50 H new ATOM 0 HD21 LEU A 45 -1.671 -9.639 10.247 1.00 41.41 H new ATOM 0 HD22 LEU A 45 -2.492 -8.128 9.787 1.00 41.41 H new ATOM 0 HD23 LEU A 45 -2.116 -9.349 8.549 1.00 41.41 H new ATOM 705 N LYS A 46 -2.462 -5.939 6.062 1.00 42.42 N ATOM 706 CA LYS A 46 -2.922 -4.837 5.280 1.00 43.22 C ATOM 707 C LYS A 46 -2.832 -3.553 6.086 1.00 45.30 C ATOM 708 O LYS A 46 -3.400 -3.430 7.178 1.00 62.43 O ATOM 709 CB LYS A 46 -4.338 -5.145 4.795 1.00 21.11 C ATOM 710 CG LYS A 46 -5.337 -5.383 5.911 1.00 41.31 C ATOM 711 CD LYS A 46 -6.491 -6.241 5.444 1.00 64.23 C ATOM 712 CE LYS A 46 -7.229 -5.646 4.252 1.00 10.22 C ATOM 713 NZ LYS A 46 -8.326 -6.537 3.803 1.00 23.21 N ATOM 0 H LYS A 46 -3.144 -6.277 6.741 1.00 42.42 H new ATOM 0 HA LYS A 46 -2.293 -4.689 4.402 1.00 43.22 H new ATOM 0 HB2 LYS A 46 -4.688 -4.316 4.179 1.00 21.11 H new ATOM 0 HB3 LYS A 46 -4.308 -6.027 4.155 1.00 21.11 H new ATOM 0 HG2 LYS A 46 -4.838 -5.867 6.751 1.00 41.31 H new ATOM 0 HG3 LYS A 46 -5.715 -4.427 6.273 1.00 41.31 H new ATOM 0 HD2 LYS A 46 -6.117 -7.229 5.177 1.00 64.23 H new ATOM 0 HD3 LYS A 46 -7.192 -6.377 6.267 1.00 64.23 H new ATOM 0 HE2 LYS A 46 -7.636 -4.671 4.522 1.00 10.22 H new ATOM 0 HE3 LYS A 46 -6.530 -5.484 3.432 1.00 10.22 H new ATOM 0 HZ1 LYS A 46 -8.812 -6.107 2.990 1.00 23.21 H new ATOM 0 HZ2 LYS A 46 -7.933 -7.458 3.524 1.00 23.21 H new ATOM 0 HZ3 LYS A 46 -9.004 -6.671 4.580 1.00 23.21 H new ATOM 727 N VAL A 47 -2.085 -2.644 5.576 1.00 0.10 N ATOM 728 CA VAL A 47 -1.828 -1.372 6.221 1.00 10.41 C ATOM 729 C VAL A 47 -2.435 -0.250 5.377 1.00 1.21 C ATOM 730 O VAL A 47 -2.521 -0.374 4.173 1.00 61.11 O ATOM 731 CB VAL A 47 -0.293 -1.143 6.412 1.00 62.11 C ATOM 732 CG1 VAL A 47 0.000 0.157 7.157 1.00 1.14 C ATOM 733 CG2 VAL A 47 0.337 -2.326 7.143 1.00 23.45 C ATOM 0 H VAL A 47 -1.615 -2.749 4.677 1.00 0.10 H new ATOM 0 HA VAL A 47 -2.288 -1.375 7.209 1.00 10.41 H new ATOM 0 HB VAL A 47 0.150 -1.061 5.420 1.00 62.11 H new ATOM 0 HG11 VAL A 47 1.078 0.278 7.268 1.00 1.14 H new ATOM 0 HG12 VAL A 47 -0.403 0.998 6.593 1.00 1.14 H new ATOM 0 HG13 VAL A 47 -0.465 0.125 8.142 1.00 1.14 H new ATOM 0 HG21 VAL A 47 1.405 -2.150 7.267 1.00 23.45 H new ATOM 0 HG22 VAL A 47 -0.129 -2.438 8.122 1.00 23.45 H new ATOM 0 HG23 VAL A 47 0.185 -3.236 6.562 1.00 23.45 H new ATOM 743 N CYS A 48 -2.845 0.829 5.994 1.00 22.14 N ATOM 744 CA CYS A 48 -3.475 1.906 5.259 1.00 43.11 C ATOM 745 C CYS A 48 -2.634 3.163 5.461 1.00 73.00 C ATOM 746 O CYS A 48 -2.362 3.575 6.598 1.00 40.35 O ATOM 747 CB CYS A 48 -4.876 2.123 5.828 1.00 45.45 C ATOM 748 SG CYS A 48 -5.876 0.595 5.929 1.00 50.42 S ATOM 0 H CYS A 48 -2.757 0.989 6.998 1.00 22.14 H new ATOM 0 HA CYS A 48 -3.548 1.673 4.197 1.00 43.11 H new ATOM 0 HB2 CYS A 48 -4.790 2.557 6.824 1.00 45.45 H new ATOM 0 HB3 CYS A 48 -5.401 2.850 5.208 1.00 45.45 H new ATOM 0 HG CYS A 48 -7.045 0.874 6.424 1.00 50.42 H new ATOM 753 N ALA A 49 -2.235 3.780 4.372 1.00 31.41 N ATOM 754 CA ALA A 49 -1.290 4.870 4.415 1.00 14.24 C ATOM 755 C ALA A 49 -1.775 6.111 3.683 1.00 71.24 C ATOM 756 O ALA A 49 -2.587 6.032 2.756 1.00 14.41 O ATOM 757 CB ALA A 49 0.050 4.416 3.884 1.00 52.35 C ATOM 0 H ALA A 49 -2.556 3.540 3.434 1.00 31.41 H new ATOM 0 HA ALA A 49 -1.184 5.160 5.460 1.00 14.24 H new ATOM 0 HB1 ALA A 49 0.756 5.246 3.921 1.00 52.35 H new ATOM 0 HB2 ALA A 49 0.424 3.594 4.495 1.00 52.35 H new ATOM 0 HB3 ALA A 49 -0.062 4.080 2.853 1.00 52.35 H new ATOM 763 N ASP A 50 -1.286 7.248 4.143 1.00 11.25 N ATOM 764 CA ASP A 50 -1.632 8.564 3.610 1.00 51.21 C ATOM 765 C ASP A 50 -0.901 8.826 2.289 1.00 41.32 C ATOM 766 O ASP A 50 0.315 8.851 2.261 1.00 52.34 O ATOM 767 CB ASP A 50 -1.236 9.628 4.636 1.00 54.02 C ATOM 768 CG ASP A 50 -1.509 11.035 4.174 1.00 20.53 C ATOM 769 OD1 ASP A 50 -0.669 11.606 3.505 1.00 23.31 O ATOM 770 OD2 ASP A 50 -2.556 11.592 4.518 1.00 2.44 O ATOM 0 H ASP A 50 -0.621 7.289 4.916 1.00 11.25 H new ATOM 0 HA ASP A 50 -2.704 8.602 3.419 1.00 51.21 H new ATOM 0 HB2 ASP A 50 -1.778 9.447 5.564 1.00 54.02 H new ATOM 0 HB3 ASP A 50 -0.174 9.527 4.862 1.00 54.02 H new ATOM 775 N PRO A 51 -1.639 9.036 1.179 1.00 44.12 N ATOM 776 CA PRO A 51 -1.042 9.265 -0.161 1.00 75.31 C ATOM 777 C PRO A 51 -0.240 10.588 -0.284 1.00 52.32 C ATOM 778 O PRO A 51 0.470 10.800 -1.276 1.00 42.30 O ATOM 779 CB PRO A 51 -2.267 9.316 -1.095 1.00 51.51 C ATOM 780 CG PRO A 51 -3.373 8.702 -0.315 1.00 65.24 C ATOM 781 CD PRO A 51 -3.106 9.047 1.115 1.00 61.53 C ATOM 0 HA PRO A 51 -0.317 8.485 -0.393 1.00 75.31 H new ATOM 0 HB2 PRO A 51 -2.505 10.341 -1.377 1.00 51.51 H new ATOM 0 HB3 PRO A 51 -2.083 8.766 -2.018 1.00 51.51 H new ATOM 0 HG2 PRO A 51 -4.340 9.090 -0.636 1.00 65.24 H new ATOM 0 HG3 PRO A 51 -3.399 7.622 -0.458 1.00 65.24 H new ATOM 0 HD2 PRO A 51 -3.516 10.022 1.380 1.00 61.53 H new ATOM 0 HD3 PRO A 51 -3.547 8.320 1.797 1.00 61.53 H new ATOM 789 N GLN A 52 -0.350 11.460 0.705 1.00 54.11 N ATOM 790 CA GLN A 52 0.344 12.744 0.681 1.00 44.43 C ATOM 791 C GLN A 52 1.694 12.634 1.357 1.00 41.23 C ATOM 792 O GLN A 52 2.538 13.523 1.234 1.00 72.13 O ATOM 793 CB GLN A 52 -0.493 13.830 1.361 1.00 61.04 C ATOM 794 CG GLN A 52 -1.798 14.142 0.661 1.00 53.33 C ATOM 795 CD GLN A 52 -1.582 14.711 -0.719 1.00 32.40 C ATOM 796 OE1 GLN A 52 -1.519 13.986 -1.712 1.00 23.24 O ATOM 797 NE2 GLN A 52 -1.454 16.011 -0.801 1.00 50.14 N ATOM 0 H GLN A 52 -0.915 11.304 1.540 1.00 54.11 H new ATOM 0 HA GLN A 52 0.494 13.023 -0.362 1.00 44.43 H new ATOM 0 HB2 GLN A 52 -0.708 13.519 2.383 1.00 61.04 H new ATOM 0 HB3 GLN A 52 0.099 14.743 1.423 1.00 61.04 H new ATOM 0 HG2 GLN A 52 -2.396 13.233 0.588 1.00 53.33 H new ATOM 0 HG3 GLN A 52 -2.369 14.852 1.260 1.00 53.33 H new ATOM 0 HE21 GLN A 52 -1.511 16.583 0.041 1.00 50.14 H new ATOM 0 HE22 GLN A 52 -1.297 16.452 -1.707 1.00 50.14 H new ATOM 806 N ALA A 53 1.888 11.561 2.084 1.00 64.31 N ATOM 807 CA ALA A 53 3.136 11.301 2.750 1.00 52.22 C ATOM 808 C ALA A 53 4.213 10.999 1.736 1.00 13.24 C ATOM 809 O ALA A 53 4.010 10.201 0.807 1.00 60.12 O ATOM 810 CB ALA A 53 2.979 10.161 3.734 1.00 33.04 C ATOM 0 H ALA A 53 1.180 10.841 2.230 1.00 64.31 H new ATOM 0 HA ALA A 53 3.433 12.189 3.308 1.00 52.22 H new ATOM 0 HB1 ALA A 53 3.931 9.975 4.231 1.00 33.04 H new ATOM 0 HB2 ALA A 53 2.227 10.424 4.478 1.00 33.04 H new ATOM 0 HB3 ALA A 53 2.666 9.262 3.203 1.00 33.04 H new ATOM 816 N THR A 54 5.348 11.634 1.905 1.00 2.12 N ATOM 817 CA THR A 54 6.467 11.485 1.015 1.00 63.15 C ATOM 818 C THR A 54 6.938 10.037 0.940 1.00 23.34 C ATOM 819 O THR A 54 7.280 9.551 -0.139 1.00 51.02 O ATOM 820 CB THR A 54 7.621 12.425 1.432 1.00 25.33 C ATOM 821 OG1 THR A 54 7.173 13.786 1.321 1.00 4.41 O ATOM 822 CG2 THR A 54 8.860 12.224 0.563 1.00 64.13 C ATOM 0 H THR A 54 5.519 12.278 2.677 1.00 2.12 H new ATOM 0 HA THR A 54 6.137 11.768 0.015 1.00 63.15 H new ATOM 0 HB THR A 54 7.898 12.192 2.460 1.00 25.33 H new ATOM 0 HG1 THR A 54 7.897 14.391 1.585 1.00 4.41 H new ATOM 0 HG21 THR A 54 9.647 12.904 0.889 1.00 64.13 H new ATOM 0 HG22 THR A 54 9.207 11.195 0.657 1.00 64.13 H new ATOM 0 HG23 THR A 54 8.611 12.430 -0.478 1.00 64.13 H new ATOM 830 N TRP A 55 6.888 9.327 2.063 1.00 13.53 N ATOM 831 CA TRP A 55 7.355 7.938 2.068 1.00 43.14 C ATOM 832 C TRP A 55 6.407 7.071 1.253 1.00 64.20 C ATOM 833 O TRP A 55 6.814 6.105 0.600 1.00 50.21 O ATOM 834 CB TRP A 55 7.522 7.383 3.496 1.00 42.55 C ATOM 835 CG TRP A 55 6.254 7.130 4.245 1.00 34.34 C ATOM 836 CD1 TRP A 55 5.497 8.031 4.887 1.00 61.52 C ATOM 837 CD2 TRP A 55 5.625 5.870 4.440 1.00 34.51 C ATOM 838 NE1 TRP A 55 4.428 7.422 5.481 1.00 41.53 N ATOM 839 CE2 TRP A 55 4.481 6.090 5.212 1.00 0.42 C ATOM 840 CE3 TRP A 55 5.926 4.588 4.028 1.00 13.31 C ATOM 841 CZ2 TRP A 55 3.632 5.066 5.585 1.00 53.52 C ATOM 842 CZ3 TRP A 55 5.084 3.559 4.390 1.00 63.33 C ATOM 843 CH2 TRP A 55 3.943 3.804 5.165 1.00 73.31 C ATOM 0 H TRP A 55 6.541 9.673 2.957 1.00 13.53 H new ATOM 0 HA TRP A 55 8.343 7.917 1.609 1.00 43.14 H new ATOM 0 HB2 TRP A 55 8.082 6.449 3.440 1.00 42.55 H new ATOM 0 HB3 TRP A 55 8.128 8.084 4.070 1.00 42.55 H new ATOM 0 HD1 TRP A 55 5.703 9.090 4.929 1.00 61.52 H new ATOM 0 HE1 TRP A 55 3.709 7.889 6.034 1.00 41.53 H new ATOM 0 HE3 TRP A 55 6.806 4.394 3.432 1.00 13.31 H new ATOM 0 HZ2 TRP A 55 2.755 5.256 6.186 1.00 53.52 H new ATOM 0 HZ3 TRP A 55 5.306 2.551 4.072 1.00 63.33 H new ATOM 0 HH2 TRP A 55 3.298 2.981 5.435 1.00 73.31 H new ATOM 854 N VAL A 56 5.146 7.451 1.271 1.00 35.23 N ATOM 855 CA VAL A 56 4.134 6.761 0.531 1.00 63.13 C ATOM 856 C VAL A 56 4.290 7.038 -0.922 1.00 60.02 C ATOM 857 O VAL A 56 4.351 6.114 -1.705 1.00 53.51 O ATOM 858 CB VAL A 56 2.711 7.122 1.001 1.00 22.21 C ATOM 859 CG1 VAL A 56 1.674 6.539 0.069 1.00 24.23 C ATOM 860 CG2 VAL A 56 2.490 6.610 2.401 1.00 72.53 C ATOM 0 H VAL A 56 4.803 8.250 1.804 1.00 35.23 H new ATOM 0 HA VAL A 56 4.265 5.695 0.714 1.00 63.13 H new ATOM 0 HB VAL A 56 2.609 8.207 0.993 1.00 22.21 H new ATOM 0 HG11 VAL A 56 0.677 6.807 0.420 1.00 24.23 H new ATOM 0 HG12 VAL A 56 1.823 6.936 -0.935 1.00 24.23 H new ATOM 0 HG13 VAL A 56 1.772 5.454 0.049 1.00 24.23 H new ATOM 0 HG21 VAL A 56 1.483 6.868 2.728 1.00 72.53 H new ATOM 0 HG22 VAL A 56 2.610 5.527 2.415 1.00 72.53 H new ATOM 0 HG23 VAL A 56 3.217 7.064 3.074 1.00 72.53 H new ATOM 870 N ARG A 57 4.385 8.320 -1.277 1.00 51.12 N ATOM 871 CA ARG A 57 4.594 8.718 -2.665 1.00 54.13 C ATOM 872 C ARG A 57 5.787 8.001 -3.231 1.00 14.53 C ATOM 873 O ARG A 57 5.746 7.488 -4.327 1.00 40.13 O ATOM 874 CB ARG A 57 4.812 10.223 -2.787 1.00 34.44 C ATOM 875 CG ARG A 57 3.602 11.064 -2.468 1.00 74.20 C ATOM 876 CD ARG A 57 3.934 12.539 -2.591 1.00 64.11 C ATOM 877 NE ARG A 57 2.764 13.401 -2.402 1.00 40.12 N ATOM 878 CZ ARG A 57 2.795 14.616 -1.834 1.00 44.30 C ATOM 879 NH1 ARG A 57 3.927 15.091 -1.323 1.00 40.51 N ATOM 880 NH2 ARG A 57 1.694 15.352 -1.780 1.00 44.43 N ATOM 0 H ARG A 57 4.320 9.098 -0.621 1.00 51.12 H new ATOM 0 HA ARG A 57 3.697 8.451 -3.224 1.00 54.13 H new ATOM 0 HB2 ARG A 57 5.625 10.514 -2.121 1.00 34.44 H new ATOM 0 HB3 ARG A 57 5.136 10.448 -3.803 1.00 34.44 H new ATOM 0 HG2 ARG A 57 2.787 10.811 -3.146 1.00 74.20 H new ATOM 0 HG3 ARG A 57 3.256 10.846 -1.458 1.00 74.20 H new ATOM 0 HD2 ARG A 57 4.694 12.799 -1.854 1.00 64.11 H new ATOM 0 HD3 ARG A 57 4.365 12.729 -3.574 1.00 64.11 H new ATOM 0 HE ARG A 57 1.862 13.052 -2.725 1.00 40.12 H new ATOM 0 HH11 ARG A 57 4.779 14.531 -1.362 1.00 40.51 H new ATOM 0 HH12 ARG A 57 3.944 16.016 -0.893 1.00 40.51 H new ATOM 0 HH21 ARG A 57 0.822 14.995 -2.170 1.00 44.43 H new ATOM 0 HH22 ARG A 57 1.719 16.276 -1.348 1.00 44.43 H new ATOM 894 N ASP A 58 6.825 7.940 -2.448 1.00 12.55 N ATOM 895 CA ASP A 58 8.056 7.300 -2.850 1.00 44.22 C ATOM 896 C ASP A 58 7.857 5.801 -3.116 1.00 72.43 C ATOM 897 O ASP A 58 8.253 5.301 -4.161 1.00 51.34 O ATOM 898 CB ASP A 58 9.112 7.506 -1.766 1.00 74.12 C ATOM 899 CG ASP A 58 10.453 6.938 -2.129 1.00 62.14 C ATOM 900 OD1 ASP A 58 11.241 7.642 -2.787 1.00 54.11 O ATOM 901 OD2 ASP A 58 10.762 5.796 -1.736 1.00 63.41 O ATOM 0 H ASP A 58 6.847 8.333 -1.507 1.00 12.55 H new ATOM 0 HA ASP A 58 8.388 7.756 -3.783 1.00 44.22 H new ATOM 0 HB2 ASP A 58 9.218 8.573 -1.570 1.00 74.12 H new ATOM 0 HB3 ASP A 58 8.768 7.044 -0.841 1.00 74.12 H new ATOM 906 N CYS A 59 7.175 5.100 -2.222 1.00 42.11 N ATOM 907 CA CYS A 59 7.013 3.655 -2.367 1.00 31.44 C ATOM 908 C CYS A 59 5.878 3.249 -3.269 1.00 31.24 C ATOM 909 O CYS A 59 5.979 2.240 -3.986 1.00 53.44 O ATOM 910 CB CYS A 59 6.856 2.987 -1.047 1.00 64.23 C ATOM 911 SG CYS A 59 8.319 3.104 0.012 1.00 61.43 S ATOM 0 H CYS A 59 6.728 5.499 -1.397 1.00 42.11 H new ATOM 0 HA CYS A 59 7.935 3.322 -2.844 1.00 31.44 H new ATOM 0 HB2 CYS A 59 6.006 3.428 -0.526 1.00 64.23 H new ATOM 0 HB3 CYS A 59 6.620 1.935 -1.209 1.00 64.23 H new ATOM 916 N VAL A 60 4.805 4.017 -3.263 1.00 74.23 N ATOM 917 CA VAL A 60 3.662 3.731 -4.103 1.00 42.32 C ATOM 918 C VAL A 60 4.128 3.890 -5.562 1.00 64.52 C ATOM 919 O VAL A 60 3.636 3.254 -6.468 1.00 54.21 O ATOM 920 CB VAL A 60 2.435 4.670 -3.767 1.00 34.31 C ATOM 921 CG1 VAL A 60 2.597 6.059 -4.315 1.00 45.24 C ATOM 922 CG2 VAL A 60 1.124 4.085 -4.205 1.00 13.24 C ATOM 0 H VAL A 60 4.703 4.848 -2.681 1.00 74.23 H new ATOM 0 HA VAL A 60 3.303 2.717 -3.928 1.00 42.32 H new ATOM 0 HB VAL A 60 2.422 4.744 -2.680 1.00 34.31 H new ATOM 0 HG11 VAL A 60 1.724 6.658 -4.053 1.00 45.24 H new ATOM 0 HG12 VAL A 60 3.491 6.516 -3.890 1.00 45.24 H new ATOM 0 HG13 VAL A 60 2.693 6.013 -5.400 1.00 45.24 H new ATOM 0 HG21 VAL A 60 0.316 4.771 -3.950 1.00 13.24 H new ATOM 0 HG22 VAL A 60 1.138 3.926 -5.283 1.00 13.24 H new ATOM 0 HG23 VAL A 60 0.964 3.132 -3.700 1.00 13.24 H new ATOM 932 N ARG A 61 5.147 4.721 -5.734 1.00 34.15 N ATOM 933 CA ARG A 61 5.745 4.951 -7.035 1.00 54.30 C ATOM 934 C ARG A 61 6.876 3.970 -7.301 1.00 54.14 C ATOM 935 O ARG A 61 7.162 3.654 -8.445 1.00 14.53 O ATOM 936 CB ARG A 61 6.205 6.385 -7.215 1.00 74.23 C ATOM 937 CG ARG A 61 5.067 7.383 -7.272 1.00 34.30 C ATOM 938 CD ARG A 61 5.594 8.790 -7.377 1.00 32.32 C ATOM 939 NE ARG A 61 4.524 9.779 -7.450 1.00 74.45 N ATOM 940 CZ ARG A 61 4.699 11.087 -7.272 1.00 73.32 C ATOM 941 NH1 ARG A 61 5.896 11.561 -6.938 1.00 24.24 N ATOM 942 NH2 ARG A 61 3.678 11.917 -7.413 1.00 2.42 N ATOM 0 H ARG A 61 5.578 5.251 -4.977 1.00 34.15 H new ATOM 0 HA ARG A 61 4.965 4.777 -7.776 1.00 54.30 H new ATOM 0 HB2 ARG A 61 6.870 6.651 -6.393 1.00 74.23 H new ATOM 0 HB3 ARG A 61 6.788 6.458 -8.133 1.00 74.23 H new ATOM 0 HG2 ARG A 61 4.428 7.164 -8.128 1.00 34.30 H new ATOM 0 HG3 ARG A 61 4.448 7.287 -6.380 1.00 34.30 H new ATOM 0 HD2 ARG A 61 6.225 9.004 -6.515 1.00 32.32 H new ATOM 0 HD3 ARG A 61 6.224 8.874 -8.262 1.00 32.32 H new ATOM 0 HE ARG A 61 3.581 9.447 -7.650 1.00 74.45 H new ATOM 0 HH11 ARG A 61 6.682 10.922 -6.818 1.00 24.24 H new ATOM 0 HH12 ARG A 61 6.028 12.563 -6.802 1.00 24.24 H new ATOM 0 HH21 ARG A 61 2.756 11.555 -7.658 1.00 2.42 H new ATOM 0 HH22 ARG A 61 3.813 12.919 -7.277 1.00 2.42 H new ATOM 956 N SER A 62 7.526 3.501 -6.241 1.00 41.35 N ATOM 957 CA SER A 62 8.555 2.468 -6.369 1.00 54.34 C ATOM 958 C SER A 62 7.933 1.173 -6.920 1.00 74.51 C ATOM 959 O SER A 62 8.480 0.533 -7.816 1.00 41.50 O ATOM 960 CB SER A 62 9.256 2.216 -5.013 1.00 35.31 C ATOM 961 OG SER A 62 9.966 3.367 -4.579 1.00 42.54 O ATOM 0 H SER A 62 7.361 3.817 -5.285 1.00 41.35 H new ATOM 0 HA SER A 62 9.313 2.814 -7.071 1.00 54.34 H new ATOM 0 HB2 SER A 62 8.515 1.939 -4.264 1.00 35.31 H new ATOM 0 HB3 SER A 62 9.944 1.376 -5.107 1.00 35.31 H new ATOM 0 HG SER A 62 9.334 4.095 -4.405 1.00 42.54 H new ATOM 967 N MET A 63 6.760 0.826 -6.416 1.00 2.41 N ATOM 968 CA MET A 63 6.051 -0.357 -6.883 1.00 30.31 C ATOM 969 C MET A 63 5.446 -0.106 -8.258 1.00 32.33 C ATOM 970 O MET A 63 5.313 -1.018 -9.072 1.00 64.12 O ATOM 971 CB MET A 63 5.000 -0.812 -5.873 1.00 44.12 C ATOM 972 CG MET A 63 5.594 -1.153 -4.521 1.00 24.34 C ATOM 973 SD MET A 63 6.867 -2.420 -4.645 1.00 21.41 S ATOM 974 CE MET A 63 7.452 -2.487 -2.963 1.00 4.03 C ATOM 0 H MET A 63 6.277 1.346 -5.683 1.00 2.41 H new ATOM 0 HA MET A 63 6.769 -1.172 -6.978 1.00 30.31 H new ATOM 0 HB2 MET A 63 4.256 -0.025 -5.750 1.00 44.12 H new ATOM 0 HB3 MET A 63 4.479 -1.685 -6.266 1.00 44.12 H new ATOM 0 HG2 MET A 63 6.019 -0.254 -4.075 1.00 24.34 H new ATOM 0 HG3 MET A 63 4.804 -1.497 -3.854 1.00 24.34 H new ATOM 0 HE1 MET A 63 8.500 -2.788 -2.954 1.00 4.03 H new ATOM 0 HE2 MET A 63 7.353 -1.503 -2.504 1.00 4.03 H new ATOM 0 HE3 MET A 63 6.862 -3.211 -2.401 1.00 4.03 H new ATOM 984 N ASP A 64 5.101 1.144 -8.512 1.00 55.01 N ATOM 985 CA ASP A 64 4.575 1.573 -9.816 1.00 15.44 C ATOM 986 C ASP A 64 5.692 1.511 -10.866 1.00 14.34 C ATOM 987 O ASP A 64 5.453 1.330 -12.054 1.00 33.51 O ATOM 988 CB ASP A 64 3.987 2.989 -9.710 1.00 24.50 C ATOM 989 CG ASP A 64 3.340 3.490 -10.983 1.00 31.31 C ATOM 990 OD1 ASP A 64 2.172 3.109 -11.266 1.00 60.43 O ATOM 991 OD2 ASP A 64 3.960 4.311 -11.696 1.00 52.40 O ATOM 0 H ASP A 64 5.174 1.897 -7.828 1.00 55.01 H new ATOM 0 HA ASP A 64 3.774 0.902 -10.125 1.00 15.44 H new ATOM 0 HB2 ASP A 64 3.247 3.004 -8.910 1.00 24.50 H new ATOM 0 HB3 ASP A 64 4.781 3.679 -9.423 1.00 24.50 H new ATOM 996 N ARG A 65 6.912 1.668 -10.402 1.00 4.32 N ATOM 997 CA ARG A 65 8.097 1.560 -11.237 1.00 24.32 C ATOM 998 C ARG A 65 8.325 0.090 -11.616 1.00 53.55 C ATOM 999 O ARG A 65 8.902 -0.223 -12.667 1.00 60.05 O ATOM 1000 CB ARG A 65 9.297 2.144 -10.488 1.00 64.21 C ATOM 1001 CG ARG A 65 10.608 2.178 -11.257 1.00 1.14 C ATOM 1002 CD ARG A 65 11.673 2.900 -10.446 1.00 55.02 C ATOM 1003 NE ARG A 65 11.248 4.278 -10.131 1.00 62.54 N ATOM 1004 CZ ARG A 65 11.768 5.060 -9.173 1.00 22.12 C ATOM 1005 NH1 ARG A 65 12.821 4.657 -8.471 1.00 32.54 N ATOM 1006 NH2 ARG A 65 11.228 6.253 -8.933 1.00 1.53 N ATOM 0 H ARG A 65 7.116 1.877 -9.425 1.00 4.32 H new ATOM 0 HA ARG A 65 7.964 2.126 -12.159 1.00 24.32 H new ATOM 0 HB2 ARG A 65 9.050 3.161 -10.183 1.00 64.21 H new ATOM 0 HB3 ARG A 65 9.448 1.566 -9.576 1.00 64.21 H new ATOM 0 HG2 ARG A 65 10.935 1.162 -11.478 1.00 1.14 H new ATOM 0 HG3 ARG A 65 10.465 2.682 -12.213 1.00 1.14 H new ATOM 0 HD2 ARG A 65 11.866 2.354 -9.522 1.00 55.02 H new ATOM 0 HD3 ARG A 65 12.609 2.922 -11.004 1.00 55.02 H new ATOM 0 HE ARG A 65 10.492 4.671 -10.692 1.00 62.54 H new ATOM 0 HH11 ARG A 65 13.241 3.746 -8.658 1.00 32.54 H new ATOM 0 HH12 ARG A 65 13.210 5.258 -7.744 1.00 32.54 H new ATOM 0 HH21 ARG A 65 10.424 6.567 -9.476 1.00 1.53 H new ATOM 0 HH22 ARG A 65 11.618 6.853 -8.206 1.00 1.53 H new