USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 550 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 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 22 ASN : amide:sc= -0.549 K(o=-0.55,f=-1.1) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.151 K(o=-0.15,f=-1.1!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 28:sc= 0.792 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 177:sc= 1.12 (180deg=1.01) USER MOD Single : A 79 LYS NZ :NH3+ 163:sc= 0.529 (180deg=0.381) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 164:sc= 1.28 (180deg=0.933) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 134:sc= 0.718 USER MOD Single : A 99 GLN : amide:sc=-0.00175 K(o=-0.0017,f=-1.1) USER MOD Single : A 102 SER OG : rot -33:sc= 0.154 USER MOD ----------------------------------------------------------------- ATOM 189 N LYS A 14 1.956 -17.336 8.452 1.00 31.13 N ATOM 190 CA LYS A 14 0.581 -17.102 8.040 1.00 1.11 C ATOM 191 C LYS A 14 0.490 -16.166 6.836 1.00 21.25 C ATOM 192 O LYS A 14 -0.179 -16.507 5.860 1.00 21.22 O ATOM 193 CB LYS A 14 -0.205 -16.559 9.245 1.00 33.55 C ATOM 194 CG LYS A 14 -1.697 -16.912 9.185 1.00 72.11 C ATOM 195 CD LYS A 14 -2.049 -18.076 10.123 1.00 72.12 C ATOM 196 CE LYS A 14 -3.543 -18.413 10.088 1.00 63.03 C ATOM 197 NZ LYS A 14 -3.887 -19.357 9.013 1.00 43.14 N ATOM 0 HA LYS A 14 0.142 -18.045 7.713 1.00 1.11 H new ATOM 0 HB2 LYS A 14 0.223 -16.961 10.164 1.00 33.55 H new ATOM 0 HB3 LYS A 14 -0.093 -15.476 9.288 1.00 33.55 H new ATOM 0 HG2 LYS A 14 -2.288 -16.037 9.455 1.00 72.11 H new ATOM 0 HG3 LYS A 14 -1.967 -17.176 8.162 1.00 72.11 H new ATOM 0 HD2 LYS A 14 -1.473 -18.957 9.839 1.00 72.12 H new ATOM 0 HD3 LYS A 14 -1.759 -17.820 11.142 1.00 72.12 H new ATOM 0 HE2 LYS A 14 -3.838 -18.838 11.047 1.00 63.03 H new ATOM 0 HE3 LYS A 14 -4.115 -17.495 9.957 1.00 63.03 H new ATOM 0 HZ1 LYS A 14 -4.909 -19.550 9.035 1.00 43.14 H new ATOM 0 HZ2 LYS A 14 -3.632 -18.944 8.093 1.00 43.14 H new ATOM 0 HZ3 LYS A 14 -3.364 -20.245 9.150 1.00 43.14 H new ATOM 207 N PHE A 15 1.137 -15.002 6.915 1.00 22.15 N ATOM 208 CA PHE A 15 1.154 -14.008 5.856 1.00 11.15 C ATOM 209 C PHE A 15 2.077 -14.478 4.725 1.00 23.22 C ATOM 210 O PHE A 15 1.677 -14.404 3.564 1.00 75.42 O ATOM 211 CB PHE A 15 1.580 -12.636 6.423 1.00 74.10 C ATOM 212 CG PHE A 15 0.753 -12.140 7.596 1.00 33.11 C ATOM 213 CD1 PHE A 15 -0.517 -11.580 7.363 1.00 13.13 C ATOM 214 CD2 PHE A 15 1.241 -12.239 8.915 1.00 73.42 C ATOM 215 CE1 PHE A 15 -1.310 -11.151 8.441 1.00 11.35 C ATOM 216 CE2 PHE A 15 0.453 -11.797 9.994 1.00 63.40 C ATOM 217 CZ PHE A 15 -0.825 -11.257 9.758 1.00 53.20 C ATOM 0 H PHE A 15 1.673 -14.724 7.737 1.00 22.15 H new ATOM 0 HA PHE A 15 0.153 -13.890 5.441 1.00 11.15 H new ATOM 0 HB2 PHE A 15 2.623 -12.696 6.733 1.00 74.10 H new ATOM 0 HB3 PHE A 15 1.528 -11.897 5.623 1.00 74.10 H new ATOM 0 HD1 PHE A 15 -0.883 -11.480 6.352 1.00 13.13 H new ATOM 0 HD2 PHE A 15 2.221 -12.655 9.098 1.00 73.42 H new ATOM 0 HE1 PHE A 15 -2.292 -10.740 8.259 1.00 11.35 H new ATOM 0 HE2 PHE A 15 0.829 -11.872 11.004 1.00 63.40 H new ATOM 0 HZ PHE A 15 -1.433 -10.924 10.586 1.00 53.20 H new ATOM 226 N ALA A 16 3.273 -14.986 5.052 1.00 34.41 N ATOM 227 CA ALA A 16 4.329 -15.349 4.102 1.00 12.41 C ATOM 228 C ALA A 16 3.825 -16.216 2.955 1.00 40.42 C ATOM 229 O ALA A 16 4.280 -16.065 1.822 1.00 32.14 O ATOM 230 CB ALA A 16 5.459 -16.108 4.809 1.00 33.44 C ATOM 0 H ALA A 16 3.540 -15.161 6.021 1.00 34.41 H new ATOM 0 HA ALA A 16 4.692 -14.407 3.691 1.00 12.41 H new ATOM 0 HB1 ALA A 16 6.232 -16.367 4.085 1.00 33.44 H new ATOM 0 HB2 ALA A 16 5.888 -15.478 5.588 1.00 33.44 H new ATOM 0 HB3 ALA A 16 5.061 -17.019 5.257 1.00 33.44 H new ATOM 236 N HIS A 17 2.914 -17.142 3.257 1.00 2.32 N ATOM 237 CA HIS A 17 2.281 -17.970 2.254 1.00 63.10 C ATOM 238 C HIS A 17 1.454 -17.089 1.294 1.00 54.21 C ATOM 239 O HIS A 17 1.900 -16.879 0.159 1.00 53.02 O ATOM 240 CB HIS A 17 1.516 -19.107 2.944 1.00 2.12 C ATOM 241 CG HIS A 17 2.447 -20.133 3.567 1.00 73.34 C ATOM 242 ND1 HIS A 17 3.320 -20.947 2.875 1.00 41.43 N ATOM 243 CD2 HIS A 17 2.638 -20.382 4.903 1.00 51.40 C ATOM 244 CE1 HIS A 17 4.024 -21.657 3.770 1.00 23.24 C ATOM 245 NE2 HIS A 17 3.648 -21.348 5.022 1.00 21.44 N ATOM 0 H HIS A 17 2.600 -17.332 4.209 1.00 2.32 H new ATOM 0 HA HIS A 17 3.013 -18.463 1.615 1.00 63.10 H new ATOM 0 HB2 HIS A 17 0.869 -18.691 3.716 1.00 2.12 H new ATOM 0 HB3 HIS A 17 0.869 -19.600 2.218 1.00 2.12 H new ATOM 0 HD2 HIS A 17 2.105 -19.916 5.719 1.00 51.40 H new ATOM 0 HE1 HIS A 17 4.788 -22.378 3.518 1.00 23.24 H new ATOM 0 HE2 HIS A 17 4.022 -21.738 5.887 1.00 21.44 H new ATOM 252 N ASP A 18 0.275 -16.590 1.700 1.00 32.53 N ATOM 253 CA ASP A 18 -0.560 -15.642 0.935 1.00 20.24 C ATOM 254 C ASP A 18 -1.795 -15.247 1.738 1.00 2.34 C ATOM 255 O ASP A 18 -1.984 -15.701 2.868 1.00 13.53 O ATOM 256 CB ASP A 18 -1.056 -16.248 -0.403 1.00 32.44 C ATOM 257 CG ASP A 18 -1.083 -15.284 -1.591 1.00 43.31 C ATOM 258 OD1 ASP A 18 -0.187 -14.430 -1.764 1.00 71.15 O ATOM 259 OD2 ASP A 18 -2.058 -15.381 -2.371 1.00 2.21 O ATOM 0 H ASP A 18 -0.139 -16.842 2.598 1.00 32.53 H new ATOM 0 HA ASP A 18 0.071 -14.777 0.732 1.00 20.24 H new ATOM 0 HB2 ASP A 18 -0.417 -17.094 -0.658 1.00 32.44 H new ATOM 0 HB3 ASP A 18 -2.061 -16.641 -0.253 1.00 32.44 H new ATOM 263 N ALA A 19 -2.695 -14.481 1.101 1.00 24.31 N ATOM 264 CA ALA A 19 -4.108 -14.309 1.425 1.00 13.13 C ATOM 265 C ALA A 19 -4.294 -13.409 2.630 1.00 3.54 C ATOM 266 O ALA A 19 -4.715 -12.271 2.466 1.00 72.21 O ATOM 267 CB ALA A 19 -4.817 -15.651 1.591 1.00 52.44 C ATOM 0 H ALA A 19 -2.428 -13.928 0.287 1.00 24.31 H new ATOM 0 HA ALA A 19 -4.580 -13.809 0.579 1.00 13.13 H new ATOM 0 HB1 ALA A 19 -5.866 -15.481 1.832 1.00 52.44 H new ATOM 0 HB2 ALA A 19 -4.745 -16.218 0.663 1.00 52.44 H new ATOM 0 HB3 ALA A 19 -4.347 -16.214 2.397 1.00 52.44 H new ATOM 273 N GLU A 20 -3.848 -13.864 3.802 1.00 63.10 N ATOM 274 CA GLU A 20 -3.778 -13.016 4.991 1.00 44.10 C ATOM 275 C GLU A 20 -2.893 -11.819 4.627 1.00 43.34 C ATOM 276 O GLU A 20 -3.188 -10.671 4.965 1.00 55.02 O ATOM 277 CB GLU A 20 -3.197 -13.796 6.190 1.00 53.21 C ATOM 278 CG GLU A 20 -4.045 -14.986 6.679 1.00 32.04 C ATOM 279 CD GLU A 20 -5.327 -14.574 7.414 1.00 11.34 C ATOM 280 OE1 GLU A 20 -6.339 -14.279 6.737 1.00 71.00 O ATOM 281 OE2 GLU A 20 -5.347 -14.576 8.671 1.00 71.40 O ATOM 0 H GLU A 20 -3.528 -14.821 3.952 1.00 63.10 H new ATOM 0 HA GLU A 20 -4.771 -12.683 5.292 1.00 44.10 H new ATOM 0 HB2 GLU A 20 -2.208 -14.165 5.917 1.00 53.21 H new ATOM 0 HB3 GLU A 20 -3.061 -13.103 7.021 1.00 53.21 H new ATOM 0 HG2 GLU A 20 -4.312 -15.606 5.823 1.00 32.04 H new ATOM 0 HG3 GLU A 20 -3.439 -15.603 7.343 1.00 32.04 H new ATOM 286 N LEU A 21 -1.835 -12.075 3.843 1.00 43.13 N ATOM 287 CA LEU A 21 -0.948 -11.012 3.402 1.00 63.12 C ATOM 288 C LEU A 21 -1.571 -10.146 2.338 1.00 44.21 C ATOM 289 O LEU A 21 -1.304 -8.952 2.321 1.00 20.24 O ATOM 290 CB LEU A 21 0.365 -11.614 2.882 1.00 40.34 C ATOM 291 CG LEU A 21 1.410 -10.627 2.323 1.00 71.21 C ATOM 292 CD1 LEU A 21 1.853 -9.605 3.372 1.00 61.52 C ATOM 293 CD2 LEU A 21 2.639 -11.405 1.845 1.00 3.44 C ATOM 0 H LEU A 21 -1.582 -13.005 3.509 1.00 43.13 H new ATOM 0 HA LEU A 21 -0.752 -10.374 4.264 1.00 63.12 H new ATOM 0 HB2 LEU A 21 0.827 -12.174 3.695 1.00 40.34 H new ATOM 0 HB3 LEU A 21 0.123 -12.332 2.098 1.00 40.34 H new ATOM 0 HG LEU A 21 0.945 -10.088 1.497 1.00 71.21 H new ATOM 0 HD11 LEU A 21 2.589 -8.930 2.935 1.00 61.52 H new ATOM 0 HD12 LEU A 21 0.989 -9.031 3.708 1.00 61.52 H new ATOM 0 HD13 LEU A 21 2.297 -10.124 4.221 1.00 61.52 H new ATOM 0 HD21 LEU A 21 3.379 -10.709 1.449 1.00 3.44 H new ATOM 0 HD22 LEU A 21 3.069 -11.955 2.682 1.00 3.44 H new ATOM 0 HD23 LEU A 21 2.345 -12.105 1.063 1.00 3.44 H new ATOM 304 N ASN A 22 -2.407 -10.711 1.475 1.00 61.23 N ATOM 305 CA ASN A 22 -3.022 -9.962 0.388 1.00 24.13 C ATOM 306 C ASN A 22 -3.857 -8.846 1.002 1.00 53.24 C ATOM 307 O ASN A 22 -3.705 -7.684 0.639 1.00 44.44 O ATOM 308 CB ASN A 22 -3.842 -10.890 -0.536 1.00 23.05 C ATOM 309 CG ASN A 22 -2.967 -11.977 -1.163 1.00 35.21 C ATOM 310 OD1 ASN A 22 -1.749 -11.837 -1.215 1.00 44.31 O ATOM 311 ND2 ASN A 22 -3.509 -13.106 -1.594 1.00 12.41 N ATOM 0 H ASN A 22 -2.676 -11.694 1.509 1.00 61.23 H new ATOM 0 HA ASN A 22 -2.260 -9.518 -0.252 1.00 24.13 H new ATOM 0 HB2 ASN A 22 -4.646 -11.354 0.035 1.00 23.05 H new ATOM 0 HB3 ASN A 22 -4.310 -10.299 -1.324 1.00 23.05 H new ATOM 0 HD21 ASN A 22 -2.915 -13.848 -1.964 1.00 12.41 H new ATOM 0 HD22 ASN A 22 -4.520 -13.233 -1.556 1.00 12.41 H new ATOM 317 N PHE A 23 -4.658 -9.184 2.014 1.00 74.10 N ATOM 318 CA PHE A 23 -5.594 -8.244 2.615 1.00 41.51 C ATOM 319 C PHE A 23 -4.865 -7.106 3.321 1.00 12.23 C ATOM 320 O PHE A 23 -5.312 -5.959 3.289 1.00 43.11 O ATOM 321 CB PHE A 23 -6.502 -8.980 3.604 1.00 0.34 C ATOM 322 CG PHE A 23 -7.601 -9.803 2.952 1.00 75.04 C ATOM 323 CD1 PHE A 23 -8.634 -9.163 2.238 1.00 2.53 C ATOM 324 CD2 PHE A 23 -7.610 -11.207 3.065 1.00 4.25 C ATOM 325 CE1 PHE A 23 -9.653 -9.920 1.634 1.00 34.43 C ATOM 326 CE2 PHE A 23 -8.629 -11.965 2.460 1.00 62.12 C ATOM 327 CZ PHE A 23 -9.652 -11.321 1.744 1.00 23.22 C ATOM 0 H PHE A 23 -4.673 -10.113 2.435 1.00 74.10 H new ATOM 0 HA PHE A 23 -6.198 -7.809 1.818 1.00 41.51 H new ATOM 0 HB2 PHE A 23 -5.890 -9.637 4.221 1.00 0.34 H new ATOM 0 HB3 PHE A 23 -6.959 -8.250 4.272 1.00 0.34 H new ATOM 0 HD1 PHE A 23 -8.643 -8.086 2.155 1.00 2.53 H new ATOM 0 HD2 PHE A 23 -6.829 -11.705 3.620 1.00 4.25 H new ATOM 0 HE1 PHE A 23 -10.439 -9.424 1.084 1.00 34.43 H new ATOM 0 HE2 PHE A 23 -8.625 -13.042 2.546 1.00 62.12 H new ATOM 0 HZ PHE A 23 -10.436 -11.901 1.279 1.00 23.22 H new ATOM 336 N LYS A 24 -3.763 -7.404 4.012 1.00 1.21 N ATOM 337 CA LYS A 24 -2.999 -6.389 4.723 1.00 44.34 C ATOM 338 C LYS A 24 -2.162 -5.567 3.749 1.00 3.03 C ATOM 339 O LYS A 24 -2.191 -4.339 3.806 1.00 53.32 O ATOM 340 CB LYS A 24 -2.154 -7.085 5.790 1.00 35.33 C ATOM 341 CG LYS A 24 -3.055 -7.686 6.887 1.00 41.20 C ATOM 342 CD LYS A 24 -2.898 -6.944 8.215 1.00 52.24 C ATOM 343 CE LYS A 24 -1.595 -7.381 8.872 1.00 3.41 C ATOM 344 NZ LYS A 24 -1.442 -6.874 10.250 1.00 13.05 N ATOM 0 H LYS A 24 -3.382 -8.347 4.092 1.00 1.21 H new ATOM 0 HA LYS A 24 -3.664 -5.682 5.218 1.00 44.34 H new ATOM 0 HB2 LYS A 24 -1.555 -7.872 5.332 1.00 35.33 H new ATOM 0 HB3 LYS A 24 -1.458 -6.372 6.233 1.00 35.33 H new ATOM 0 HG2 LYS A 24 -4.096 -7.644 6.567 1.00 41.20 H new ATOM 0 HG3 LYS A 24 -2.807 -8.738 7.026 1.00 41.20 H new ATOM 0 HD2 LYS A 24 -2.893 -5.867 8.047 1.00 52.24 H new ATOM 0 HD3 LYS A 24 -3.742 -7.161 8.870 1.00 52.24 H new ATOM 0 HE2 LYS A 24 -1.549 -8.470 8.885 1.00 3.41 H new ATOM 0 HE3 LYS A 24 -0.756 -7.034 8.268 1.00 3.41 H new ATOM 0 HZ1 LYS A 24 -0.538 -7.204 10.643 1.00 13.05 H new ATOM 0 HZ2 LYS A 24 -1.456 -5.834 10.241 1.00 13.05 H new ATOM 0 HZ3 LYS A 24 -2.224 -7.226 10.838 1.00 13.05 H new ATOM 354 N ALA A 25 -1.427 -6.222 2.848 1.00 75.24 N ATOM 355 CA ALA A 25 -0.510 -5.570 1.931 1.00 72.42 C ATOM 356 C ALA A 25 -1.257 -4.556 1.075 1.00 13.45 C ATOM 357 O ALA A 25 -0.876 -3.384 1.085 1.00 53.02 O ATOM 358 CB ALA A 25 0.227 -6.594 1.062 1.00 61.11 C ATOM 0 H ALA A 25 -1.458 -7.236 2.739 1.00 75.24 H new ATOM 0 HA ALA A 25 0.242 -5.040 2.515 1.00 72.42 H new ATOM 0 HB1 ALA A 25 0.906 -6.075 0.386 1.00 61.11 H new ATOM 0 HB2 ALA A 25 0.796 -7.270 1.700 1.00 61.11 H new ATOM 0 HB3 ALA A 25 -0.496 -7.166 0.481 1.00 61.11 H new ATOM 364 N GLU A 26 -2.323 -4.960 0.373 1.00 14.22 N ATOM 365 CA GLU A 26 -3.038 -4.060 -0.535 1.00 21.55 C ATOM 366 C GLU A 26 -3.608 -2.845 0.202 1.00 53.20 C ATOM 367 O GLU A 26 -3.784 -1.782 -0.390 1.00 54.10 O ATOM 368 CB GLU A 26 -4.199 -4.774 -1.245 1.00 13.32 C ATOM 369 CG GLU A 26 -3.857 -5.923 -2.208 1.00 72.44 C ATOM 370 CD GLU A 26 -2.527 -5.749 -2.927 1.00 51.33 C ATOM 371 OE1 GLU A 26 -2.325 -4.731 -3.632 1.00 51.01 O ATOM 372 OE2 GLU A 26 -1.635 -6.611 -2.745 1.00 4.02 O ATOM 0 H GLU A 26 -2.708 -5.904 0.418 1.00 14.22 H new ATOM 0 HA GLU A 26 -2.303 -3.732 -1.270 1.00 21.55 H new ATOM 0 HB2 GLU A 26 -4.868 -5.167 -0.479 1.00 13.32 H new ATOM 0 HB3 GLU A 26 -4.760 -4.025 -1.804 1.00 13.32 H new ATOM 0 HG2 GLU A 26 -3.837 -6.859 -1.649 1.00 72.44 H new ATOM 0 HG3 GLU A 26 -4.651 -6.011 -2.950 1.00 72.44 H new ATOM 377 N ALA A 27 -3.865 -2.970 1.504 1.00 35.32 N ATOM 378 CA ALA A 27 -4.410 -1.915 2.347 1.00 33.22 C ATOM 379 C ALA A 27 -3.325 -1.077 3.034 1.00 4.05 C ATOM 380 O ALA A 27 -3.639 -0.146 3.777 1.00 73.32 O ATOM 381 CB ALA A 27 -5.348 -2.558 3.362 1.00 13.02 C ATOM 0 H ALA A 27 -3.693 -3.837 2.013 1.00 35.32 H new ATOM 0 HA ALA A 27 -4.957 -1.211 1.719 1.00 33.22 H new ATOM 0 HB1 ALA A 27 -5.770 -1.787 4.007 1.00 13.02 H new ATOM 0 HB2 ALA A 27 -6.153 -3.074 2.838 1.00 13.02 H new ATOM 0 HB3 ALA A 27 -4.793 -3.274 3.968 1.00 13.02 H new ATOM 387 N ARG A 28 -2.047 -1.372 2.785 1.00 35.41 N ATOM 388 CA ARG A 28 -0.899 -0.615 3.275 1.00 54.13 C ATOM 389 C ARG A 28 -0.164 0.086 2.147 1.00 51.20 C ATOM 390 O ARG A 28 0.322 1.193 2.371 1.00 13.33 O ATOM 391 CB ARG A 28 0.076 -1.554 4.001 1.00 75.14 C ATOM 392 CG ARG A 28 -0.336 -1.882 5.438 1.00 1.41 C ATOM 393 CD ARG A 28 -0.267 -0.677 6.387 1.00 31.25 C ATOM 394 NE ARG A 28 0.346 -1.038 7.677 1.00 23.21 N ATOM 395 CZ ARG A 28 1.172 -0.297 8.433 1.00 31.53 C ATOM 396 NH1 ARG A 28 1.620 0.892 8.028 1.00 32.25 N ATOM 397 NH2 ARG A 28 1.557 -0.746 9.620 1.00 42.00 N ATOM 0 H ARG A 28 -1.776 -2.174 2.216 1.00 35.41 H new ATOM 0 HA ARG A 28 -1.276 0.142 3.962 1.00 54.13 H new ATOM 0 HB2 ARG A 28 0.160 -2.482 3.436 1.00 75.14 H new ATOM 0 HB3 ARG A 28 1.066 -1.097 4.012 1.00 75.14 H new ATOM 0 HG2 ARG A 28 -1.353 -2.274 5.435 1.00 1.41 H new ATOM 0 HG3 ARG A 28 0.309 -2.673 5.821 1.00 1.41 H new ATOM 0 HD2 ARG A 28 0.309 0.122 5.920 1.00 31.25 H new ATOM 0 HD3 ARG A 28 -1.271 -0.289 6.557 1.00 31.25 H new ATOM 0 HE ARG A 28 0.115 -1.963 8.040 1.00 23.21 H new ATOM 0 HH11 ARG A 28 1.336 1.262 7.121 1.00 32.25 H new ATOM 0 HH12 ARG A 28 2.247 1.431 8.625 1.00 32.25 H new ATOM 0 HH21 ARG A 28 1.226 -1.651 9.955 1.00 42.00 H new ATOM 0 HH22 ARG A 28 2.184 -0.187 10.198 1.00 42.00 H new ATOM 408 N ARG A 29 -0.026 -0.525 0.962 1.00 40.42 N ATOM 409 CA ARG A 29 0.850 0.047 -0.071 1.00 52.43 C ATOM 410 C ARG A 29 0.282 1.392 -0.532 1.00 35.45 C ATOM 411 O ARG A 29 1.015 2.379 -0.539 1.00 34.45 O ATOM 412 CB ARG A 29 1.136 -0.912 -1.254 1.00 35.14 C ATOM 413 CG ARG A 29 1.190 -2.409 -0.884 1.00 0.01 C ATOM 414 CD ARG A 29 2.194 -3.242 -1.696 1.00 12.04 C ATOM 415 NE ARG A 29 1.578 -3.841 -2.881 1.00 61.31 N ATOM 416 CZ ARG A 29 1.250 -5.126 -3.062 1.00 64.13 C ATOM 417 NH1 ARG A 29 1.735 -6.085 -2.282 1.00 34.50 N ATOM 418 NH2 ARG A 29 0.416 -5.437 -4.039 1.00 72.22 N ATOM 0 H ARG A 29 -0.495 -1.392 0.699 1.00 40.42 H new ATOM 0 HA ARG A 29 1.828 0.209 0.382 1.00 52.43 H new ATOM 0 HB2 ARG A 29 0.366 -0.769 -2.012 1.00 35.14 H new ATOM 0 HB3 ARG A 29 2.086 -0.631 -1.708 1.00 35.14 H new ATOM 0 HG2 ARG A 29 1.438 -2.498 0.174 1.00 0.01 H new ATOM 0 HG3 ARG A 29 0.196 -2.836 -1.015 1.00 0.01 H new ATOM 0 HD2 ARG A 29 3.027 -2.609 -2.001 1.00 12.04 H new ATOM 0 HD3 ARG A 29 2.606 -4.029 -1.065 1.00 12.04 H new ATOM 0 HE ARG A 29 1.376 -3.209 -3.655 1.00 61.31 H new ATOM 0 HH11 ARG A 29 2.374 -5.850 -1.523 1.00 34.50 H new ATOM 0 HH12 ARG A 29 1.468 -7.056 -2.442 1.00 34.50 H new ATOM 0 HH21 ARG A 29 0.036 -4.704 -4.638 1.00 72.22 H new ATOM 0 HH22 ARG A 29 0.153 -6.410 -4.194 1.00 72.22 H new ATOM 429 N ASN A 30 -1.028 1.446 -0.781 1.00 40.14 N ATOM 430 CA ASN A 30 -1.817 2.650 -1.051 1.00 23.33 C ATOM 431 C ASN A 30 -1.466 3.768 -0.077 1.00 21.12 C ATOM 432 O ASN A 30 -1.118 4.860 -0.495 1.00 61.11 O ATOM 433 CB ASN A 30 -3.331 2.337 -0.940 1.00 20.45 C ATOM 434 CG ASN A 30 -3.975 2.072 -2.292 1.00 22.53 C ATOM 435 OD1 ASN A 30 -3.606 2.691 -3.274 1.00 43.00 O ATOM 436 ND2 ASN A 30 -4.928 1.170 -2.389 1.00 75.54 N ATOM 0 H ASN A 30 -1.600 0.602 -0.801 1.00 40.14 H new ATOM 0 HA ASN A 30 -1.582 2.978 -2.063 1.00 23.33 H new ATOM 0 HB2 ASN A 30 -3.472 1.468 -0.298 1.00 20.45 H new ATOM 0 HB3 ASN A 30 -3.837 3.174 -0.459 1.00 20.45 H new ATOM 0 HD21 ASN A 30 -5.364 0.984 -3.292 1.00 75.54 H new ATOM 0 HD22 ASN A 30 -5.230 0.657 -1.561 1.00 75.54 H new ATOM 442 N ARG A 31 -1.520 3.511 1.239 1.00 53.01 N ATOM 443 CA ARG A 31 -1.261 4.525 2.271 1.00 31.51 C ATOM 444 C ARG A 31 0.061 5.263 2.012 1.00 75.14 C ATOM 445 O ARG A 31 0.105 6.489 2.064 1.00 62.32 O ATOM 446 CB ARG A 31 -1.280 3.855 3.661 1.00 42.13 C ATOM 447 CG ARG A 31 -1.309 4.862 4.819 1.00 32.43 C ATOM 448 CD ARG A 31 -1.168 4.140 6.170 1.00 53.03 C ATOM 449 NE ARG A 31 -1.376 5.061 7.299 1.00 53.11 N ATOM 450 CZ ARG A 31 -0.563 6.054 7.679 1.00 60.54 C ATOM 451 NH1 ARG A 31 0.674 6.151 7.220 1.00 21.33 N ATOM 452 NH2 ARG A 31 -1.019 6.971 8.514 1.00 43.02 N ATOM 0 H ARG A 31 -1.745 2.591 1.618 1.00 53.01 H new ATOM 0 HA ARG A 31 -2.048 5.278 2.236 1.00 31.51 H new ATOM 0 HB2 ARG A 31 -2.152 3.205 3.732 1.00 42.13 H new ATOM 0 HB3 ARG A 31 -0.400 3.220 3.763 1.00 42.13 H new ATOM 0 HG2 ARG A 31 -0.501 5.584 4.700 1.00 32.43 H new ATOM 0 HG3 ARG A 31 -2.243 5.423 4.796 1.00 32.43 H new ATOM 0 HD2 ARG A 31 -1.891 3.326 6.226 1.00 53.03 H new ATOM 0 HD3 ARG A 31 -0.177 3.692 6.242 1.00 53.03 H new ATOM 0 HE ARG A 31 -2.226 4.929 7.847 1.00 53.11 H new ATOM 0 HH11 ARG A 31 1.029 5.459 6.560 1.00 21.33 H new ATOM 0 HH12 ARG A 31 1.273 6.918 7.526 1.00 21.33 H new ATOM 0 HH21 ARG A 31 -1.977 6.915 8.859 1.00 43.02 H new ATOM 0 HH22 ARG A 31 -0.413 7.734 8.814 1.00 43.02 H new ATOM 463 N LEU A 32 1.119 4.507 1.705 1.00 21.22 N ATOM 464 CA LEU A 32 2.466 5.017 1.455 1.00 21.44 C ATOM 465 C LEU A 32 2.455 5.960 0.243 1.00 22.12 C ATOM 466 O LEU A 32 3.103 7.010 0.256 1.00 14.35 O ATOM 467 CB LEU A 32 3.441 3.850 1.168 1.00 41.30 C ATOM 468 CG LEU A 32 3.471 2.692 2.188 1.00 4.33 C ATOM 469 CD1 LEU A 32 3.958 1.358 1.608 1.00 61.21 C ATOM 470 CD2 LEU A 32 4.369 2.995 3.373 1.00 14.02 C ATOM 0 H LEU A 32 1.058 3.492 1.622 1.00 21.22 H new ATOM 0 HA LEU A 32 2.796 5.557 2.343 1.00 21.44 H new ATOM 0 HB2 LEU A 32 3.193 3.434 0.191 1.00 41.30 H new ATOM 0 HB3 LEU A 32 4.448 4.261 1.093 1.00 41.30 H new ATOM 0 HG LEU A 32 2.428 2.598 2.490 1.00 4.33 H new ATOM 0 HD11 LEU A 32 3.949 0.597 2.388 1.00 61.21 H new ATOM 0 HD12 LEU A 32 3.299 1.052 0.796 1.00 61.21 H new ATOM 0 HD13 LEU A 32 4.973 1.476 1.227 1.00 61.21 H new ATOM 0 HD21 LEU A 32 4.358 2.151 4.063 1.00 14.02 H new ATOM 0 HD22 LEU A 32 5.388 3.165 3.024 1.00 14.02 H new ATOM 0 HD23 LEU A 32 4.008 3.887 3.885 1.00 14.02 H new ATOM 481 N LEU A 33 1.773 5.559 -0.835 1.00 3.05 N ATOM 482 CA LEU A 33 1.724 6.285 -2.104 1.00 75.42 C ATOM 483 C LEU A 33 0.820 7.522 -1.995 1.00 34.25 C ATOM 484 O LEU A 33 1.119 8.567 -2.569 1.00 54.30 O ATOM 485 CB LEU A 33 1.229 5.320 -3.193 1.00 62.54 C ATOM 486 CG LEU A 33 1.486 5.813 -4.631 1.00 33.55 C ATOM 487 CD1 LEU A 33 2.957 5.682 -5.041 1.00 34.41 C ATOM 488 CD2 LEU A 33 0.688 4.965 -5.614 1.00 52.33 C ATOM 0 H LEU A 33 1.226 4.698 -0.847 1.00 3.05 H new ATOM 0 HA LEU A 33 2.719 6.647 -2.365 1.00 75.42 H new ATOM 0 HB2 LEU A 33 1.717 4.355 -3.058 1.00 62.54 H new ATOM 0 HB3 LEU A 33 0.159 5.157 -3.061 1.00 62.54 H new ATOM 0 HG LEU A 33 1.192 6.862 -4.653 1.00 33.55 H new ATOM 0 HD11 LEU A 33 3.084 6.043 -6.062 1.00 34.41 H new ATOM 0 HD12 LEU A 33 3.577 6.274 -4.367 1.00 34.41 H new ATOM 0 HD13 LEU A 33 3.258 4.636 -4.986 1.00 34.41 H new ATOM 0 HD21 LEU A 33 0.872 5.316 -6.630 1.00 52.33 H new ATOM 0 HD22 LEU A 33 0.996 3.923 -5.529 1.00 52.33 H new ATOM 0 HD23 LEU A 33 -0.375 5.049 -5.388 1.00 52.33 H new ATOM 499 N GLY A 34 -0.240 7.452 -1.195 1.00 64.42 N ATOM 500 CA GLY A 34 -1.085 8.591 -0.875 1.00 55.24 C ATOM 501 C GLY A 34 -0.285 9.665 -0.145 1.00 73.14 C ATOM 502 O GLY A 34 -0.284 10.827 -0.554 1.00 12.21 O ATOM 0 H GLY A 34 -0.538 6.587 -0.745 1.00 64.42 H new ATOM 0 HA2 GLY A 34 -1.509 9.005 -1.790 1.00 55.24 H new ATOM 0 HA3 GLY A 34 -1.921 8.268 -0.254 1.00 55.24 H new ATOM 506 N GLU A 35 0.442 9.278 0.908 1.00 33.23 N ATOM 507 CA GLU A 35 1.273 10.203 1.679 1.00 34.44 C ATOM 508 C GLU A 35 2.420 10.784 0.830 1.00 3.44 C ATOM 509 O GLU A 35 2.905 11.874 1.130 1.00 22.24 O ATOM 510 CB GLU A 35 1.838 9.499 2.928 1.00 64.54 C ATOM 511 CG GLU A 35 0.765 9.267 4.007 1.00 14.03 C ATOM 512 CD GLU A 35 1.289 8.441 5.191 1.00 72.31 C ATOM 513 OE1 GLU A 35 1.906 7.375 4.971 1.00 74.33 O ATOM 514 OE2 GLU A 35 1.026 8.810 6.363 1.00 53.24 O ATOM 0 H GLU A 35 0.470 8.317 1.248 1.00 33.23 H new ATOM 0 HA GLU A 35 0.640 11.033 1.991 1.00 34.44 H new ATOM 0 HB2 GLU A 35 2.270 8.541 2.638 1.00 64.54 H new ATOM 0 HB3 GLU A 35 2.646 10.100 3.346 1.00 64.54 H new ATOM 0 HG2 GLU A 35 0.406 10.230 4.371 1.00 14.03 H new ATOM 0 HG3 GLU A 35 -0.089 8.756 3.562 1.00 14.03 H new ATOM 519 N TRP A 36 2.854 10.099 -0.235 1.00 52.44 N ATOM 520 CA TRP A 36 3.777 10.645 -1.229 1.00 64.42 C ATOM 521 C TRP A 36 3.078 11.759 -2.012 1.00 13.32 C ATOM 522 O TRP A 36 3.508 12.910 -1.955 1.00 20.54 O ATOM 523 CB TRP A 36 4.282 9.516 -2.146 1.00 41.12 C ATOM 524 CG TRP A 36 4.918 9.893 -3.445 1.00 32.45 C ATOM 525 CD1 TRP A 36 6.124 10.482 -3.599 1.00 60.54 C ATOM 526 CD2 TRP A 36 4.393 9.697 -4.796 1.00 62.15 C ATOM 527 NE1 TRP A 36 6.386 10.634 -4.944 1.00 4.01 N ATOM 528 CE2 TRP A 36 5.353 10.179 -5.731 1.00 75.25 C ATOM 529 CE3 TRP A 36 3.202 9.159 -5.333 1.00 72.14 C ATOM 530 CZ2 TRP A 36 5.142 10.135 -7.119 1.00 20.42 C ATOM 531 CZ3 TRP A 36 2.985 9.094 -6.723 1.00 20.34 C ATOM 532 CH2 TRP A 36 3.951 9.589 -7.616 1.00 44.04 C ATOM 0 H TRP A 36 2.569 9.139 -0.430 1.00 52.44 H new ATOM 0 HA TRP A 36 4.648 11.079 -0.739 1.00 64.42 H new ATOM 0 HB2 TRP A 36 5.003 8.926 -1.581 1.00 41.12 H new ATOM 0 HB3 TRP A 36 3.438 8.863 -2.366 1.00 41.12 H new ATOM 0 HD1 TRP A 36 6.779 10.786 -2.796 1.00 60.54 H new ATOM 0 HE1 TRP A 36 7.247 11.037 -5.313 1.00 4.01 H new ATOM 0 HE3 TRP A 36 2.441 8.789 -4.662 1.00 72.14 H new ATOM 0 HZ2 TRP A 36 5.891 10.518 -7.797 1.00 20.42 H new ATOM 0 HZ3 TRP A 36 2.072 8.662 -7.105 1.00 20.34 H new ATOM 0 HH2 TRP A 36 3.776 9.549 -8.681 1.00 44.04 H new ATOM 542 N ALA A 37 1.984 11.436 -2.709 1.00 1.44 N ATOM 543 CA ALA A 37 1.306 12.355 -3.616 1.00 3.22 C ATOM 544 C ALA A 37 0.840 13.635 -2.912 1.00 51.02 C ATOM 545 O ALA A 37 0.958 14.713 -3.489 1.00 11.01 O ATOM 546 CB ALA A 37 0.135 11.624 -4.277 1.00 55.12 C ATOM 0 H ALA A 37 1.543 10.518 -2.656 1.00 1.44 H new ATOM 0 HA ALA A 37 2.016 12.676 -4.379 1.00 3.22 H new ATOM 0 HB1 ALA A 37 -0.380 12.302 -4.958 1.00 55.12 H new ATOM 0 HB2 ALA A 37 0.510 10.766 -4.834 1.00 55.12 H new ATOM 0 HB3 ALA A 37 -0.561 11.283 -3.510 1.00 55.12 H new ATOM 552 N ALA A 38 0.391 13.554 -1.657 1.00 55.10 N ATOM 553 CA ALA A 38 0.109 14.712 -0.807 1.00 15.25 C ATOM 554 C ALA A 38 1.257 15.735 -0.821 1.00 42.32 C ATOM 555 O ALA A 38 1.008 16.934 -0.950 1.00 33.12 O ATOM 556 CB ALA A 38 -0.125 14.202 0.611 1.00 61.34 C ATOM 0 H ALA A 38 0.210 12.663 -1.195 1.00 55.10 H new ATOM 0 HA ALA A 38 -0.772 15.228 -1.188 1.00 15.25 H new ATOM 0 HB1 ALA A 38 -0.338 15.044 1.270 1.00 61.34 H new ATOM 0 HB2 ALA A 38 -0.971 13.514 0.615 1.00 61.34 H new ATOM 0 HB3 ALA A 38 0.767 13.683 0.963 1.00 61.34 H new ATOM 562 N GLY A 39 2.511 15.286 -0.732 1.00 32.35 N ATOM 563 CA GLY A 39 3.690 16.149 -0.751 1.00 65.54 C ATOM 564 C GLY A 39 3.888 16.881 -2.075 1.00 33.13 C ATOM 565 O GLY A 39 4.453 17.975 -2.099 1.00 41.20 O ATOM 0 H GLY A 39 2.737 14.295 -0.643 1.00 32.35 H new ATOM 0 HA2 GLY A 39 3.607 16.882 0.051 1.00 65.54 H new ATOM 0 HA3 GLY A 39 4.574 15.547 -0.542 1.00 65.54 H new ATOM 569 N LEU A 40 3.424 16.274 -3.166 1.00 1.03 N ATOM 570 CA LEU A 40 3.601 16.736 -4.532 1.00 23.52 C ATOM 571 C LEU A 40 2.538 17.770 -4.869 1.00 55.01 C ATOM 572 O LEU A 40 2.842 18.838 -5.395 1.00 73.31 O ATOM 573 CB LEU A 40 3.463 15.532 -5.475 1.00 44.23 C ATOM 574 CG LEU A 40 4.482 14.412 -5.245 1.00 1.45 C ATOM 575 CD1 LEU A 40 4.223 13.329 -6.294 1.00 14.32 C ATOM 576 CD2 LEU A 40 5.923 14.883 -5.424 1.00 54.02 C ATOM 0 H LEU A 40 2.890 15.406 -3.114 1.00 1.03 H new ATOM 0 HA LEU A 40 4.585 17.192 -4.645 1.00 23.52 H new ATOM 0 HB2 LEU A 40 2.460 15.118 -5.368 1.00 44.23 H new ATOM 0 HB3 LEU A 40 3.556 15.882 -6.503 1.00 44.23 H new ATOM 0 HG LEU A 40 4.365 14.056 -4.222 1.00 1.45 H new ATOM 0 HD11 LEU A 40 4.934 12.514 -6.158 1.00 14.32 H new ATOM 0 HD12 LEU A 40 3.208 12.948 -6.181 1.00 14.32 H new ATOM 0 HD13 LEU A 40 4.343 13.752 -7.291 1.00 14.32 H new ATOM 0 HD21 LEU A 40 6.603 14.049 -5.249 1.00 54.02 H new ATOM 0 HD22 LEU A 40 6.060 15.257 -6.439 1.00 54.02 H new ATOM 0 HD23 LEU A 40 6.136 15.680 -4.712 1.00 54.02 H new ATOM 587 N LEU A 41 1.284 17.450 -4.541 1.00 60.21 N ATOM 588 CA LEU A 41 0.132 18.338 -4.665 1.00 21.14 C ATOM 589 C LEU A 41 0.385 19.569 -3.795 1.00 64.13 C ATOM 590 O LEU A 41 0.112 20.699 -4.200 1.00 72.41 O ATOM 591 CB LEU A 41 -1.129 17.579 -4.232 1.00 40.11 C ATOM 592 CG LEU A 41 -1.432 16.362 -5.136 1.00 1.12 C ATOM 593 CD1 LEU A 41 -2.126 15.248 -4.371 1.00 64.41 C ATOM 594 CD2 LEU A 41 -2.325 16.729 -6.318 1.00 55.30 C ATOM 0 H LEU A 41 1.037 16.533 -4.169 1.00 60.21 H new ATOM 0 HA LEU A 41 -0.014 18.665 -5.694 1.00 21.14 H new ATOM 0 HB2 LEU A 41 -1.009 17.241 -3.203 1.00 40.11 H new ATOM 0 HB3 LEU A 41 -1.981 18.259 -4.247 1.00 40.11 H new ATOM 0 HG LEU A 41 -0.460 16.024 -5.496 1.00 1.12 H new ATOM 0 HD11 LEU A 41 -2.321 14.412 -5.043 1.00 64.41 H new ATOM 0 HD12 LEU A 41 -1.487 14.915 -3.553 1.00 64.41 H new ATOM 0 HD13 LEU A 41 -3.069 15.617 -3.967 1.00 64.41 H new ATOM 0 HD21 LEU A 41 -2.510 15.842 -6.924 1.00 55.30 H new ATOM 0 HD22 LEU A 41 -3.273 17.121 -5.950 1.00 55.30 H new ATOM 0 HD23 LEU A 41 -1.831 17.487 -6.926 1.00 55.30 H new ATOM 605 N GLY A 42 0.995 19.338 -2.632 1.00 50.32 N ATOM 606 CA GLY A 42 1.612 20.351 -1.807 1.00 52.23 C ATOM 607 C GLY A 42 0.780 20.584 -0.570 1.00 62.13 C ATOM 608 O GLY A 42 0.266 21.686 -0.374 1.00 12.42 O ATOM 0 H GLY A 42 1.070 18.402 -2.233 1.00 50.32 H new ATOM 0 HA2 GLY A 42 2.618 20.040 -1.526 1.00 52.23 H new ATOM 0 HA3 GLY A 42 1.711 21.280 -2.369 1.00 52.23 H new ATOM 612 N LYS A 43 0.634 19.521 0.222 1.00 12.21 N ATOM 613 CA LYS A 43 -0.141 19.469 1.451 1.00 74.40 C ATOM 614 C LYS A 43 0.771 19.147 2.613 1.00 14.03 C ATOM 615 O LYS A 43 1.834 18.547 2.427 1.00 5.03 O ATOM 616 CB LYS A 43 -1.208 18.371 1.357 1.00 43.23 C ATOM 617 CG LYS A 43 -2.116 18.464 0.133 1.00 60.41 C ATOM 618 CD LYS A 43 -2.887 19.790 0.081 1.00 63.51 C ATOM 619 CE LYS A 43 -3.671 19.958 -1.220 1.00 75.50 C ATOM 620 NZ LYS A 43 -4.948 19.234 -1.194 1.00 74.52 N ATOM 0 H LYS A 43 1.079 18.629 0.007 1.00 12.21 H new ATOM 0 HA LYS A 43 -0.619 20.437 1.601 1.00 74.40 H new ATOM 0 HB2 LYS A 43 -0.711 17.401 1.351 1.00 43.23 H new ATOM 0 HB3 LYS A 43 -1.826 18.407 2.254 1.00 43.23 H new ATOM 0 HG2 LYS A 43 -1.516 18.359 -0.771 1.00 60.41 H new ATOM 0 HG3 LYS A 43 -2.823 17.635 0.144 1.00 60.41 H new ATOM 0 HD2 LYS A 43 -3.575 19.841 0.925 1.00 63.51 H new ATOM 0 HD3 LYS A 43 -2.187 20.619 0.190 1.00 63.51 H new ATOM 0 HE2 LYS A 43 -3.859 21.017 -1.395 1.00 75.50 H new ATOM 0 HE3 LYS A 43 -3.069 19.599 -2.054 1.00 75.50 H new ATOM 0 HZ1 LYS A 43 -5.446 19.376 -2.096 1.00 74.52 H new ATOM 0 HZ2 LYS A 43 -4.769 18.219 -1.053 1.00 74.52 H new ATOM 0 HZ3 LYS A 43 -5.535 19.593 -0.414 1.00 74.52 H new ATOM 630 N THR A 44 0.313 19.477 3.814 1.00 74.22 N ATOM 631 CA THR A 44 1.056 19.305 5.057 1.00 65.31 C ATOM 632 C THR A 44 0.075 19.013 6.207 1.00 64.14 C ATOM 633 O THR A 44 -1.107 18.751 5.960 1.00 64.44 O ATOM 634 CB THR A 44 1.912 20.567 5.288 1.00 51.10 C ATOM 635 OG1 THR A 44 1.097 21.718 5.383 1.00 54.10 O ATOM 636 CG2 THR A 44 2.977 20.804 4.212 1.00 22.51 C ATOM 0 H THR A 44 -0.612 19.883 3.955 1.00 74.22 H new ATOM 0 HA THR A 44 1.732 18.452 5.006 1.00 65.31 H new ATOM 0 HB THR A 44 2.435 20.387 6.227 1.00 51.10 H new ATOM 0 HG1 THR A 44 1.660 22.506 5.531 1.00 54.10 H new ATOM 0 HG21 THR A 44 3.536 21.710 4.447 1.00 22.51 H new ATOM 0 HG22 THR A 44 3.659 19.954 4.182 1.00 22.51 H new ATOM 0 HG23 THR A 44 2.495 20.917 3.241 1.00 22.51 H new ATOM 644 N GLY A 45 0.548 19.055 7.457 1.00 4.41 N ATOM 645 CA GLY A 45 -0.274 19.119 8.659 1.00 34.13 C ATOM 646 C GLY A 45 -1.086 17.846 8.849 1.00 44.34 C ATOM 647 O GLY A 45 -0.535 16.828 9.275 1.00 33.53 O ATOM 0 H GLY A 45 1.547 19.045 7.661 1.00 4.41 H new ATOM 0 HA2 GLY A 45 0.363 19.278 9.529 1.00 34.13 H new ATOM 0 HA3 GLY A 45 -0.946 19.975 8.596 1.00 34.13 H new ATOM 651 N ASP A 46 -2.378 17.896 8.520 1.00 1.23 N ATOM 652 CA ASP A 46 -3.273 16.745 8.417 1.00 71.53 C ATOM 653 C ASP A 46 -4.048 16.761 7.090 1.00 62.42 C ATOM 654 O ASP A 46 -4.741 15.800 6.769 1.00 25.35 O ATOM 655 CB ASP A 46 -4.228 16.678 9.628 1.00 31.51 C ATOM 656 CG ASP A 46 -4.265 15.272 10.226 1.00 44.41 C ATOM 657 OD1 ASP A 46 -3.291 14.940 10.942 1.00 21.22 O ATOM 658 OD2 ASP A 46 -5.232 14.507 10.015 1.00 53.34 O ATOM 0 H ASP A 46 -2.848 18.777 8.310 1.00 1.23 H new ATOM 0 HA ASP A 46 -2.662 15.842 8.427 1.00 71.53 H new ATOM 0 HB2 ASP A 46 -3.907 17.391 10.388 1.00 31.51 H new ATOM 0 HB3 ASP A 46 -5.231 16.971 9.320 1.00 31.51 H new ATOM 662 N ASP A 47 -3.908 17.809 6.264 1.00 32.35 N ATOM 663 CA ASP A 47 -4.447 17.861 4.895 1.00 50.33 C ATOM 664 C ASP A 47 -3.818 16.756 4.057 1.00 43.31 C ATOM 665 O ASP A 47 -4.483 16.118 3.237 1.00 74.12 O ATOM 666 CB ASP A 47 -4.106 19.200 4.206 1.00 34.11 C ATOM 667 CG ASP A 47 -5.239 20.223 4.225 1.00 30.52 C ATOM 668 OD1 ASP A 47 -6.405 19.853 3.940 1.00 35.55 O ATOM 669 OD2 ASP A 47 -4.945 21.420 4.446 1.00 21.33 O ATOM 0 H ASP A 47 -3.410 18.658 6.532 1.00 32.35 H new ATOM 0 HA ASP A 47 -5.529 17.746 4.967 1.00 50.33 H new ATOM 0 HB2 ASP A 47 -3.233 19.634 4.693 1.00 34.11 H new ATOM 0 HB3 ASP A 47 -3.828 19.002 3.171 1.00 34.11 H new ATOM 673 N ALA A 48 -2.515 16.555 4.257 1.00 62.41 N ATOM 674 CA ALA A 48 -1.732 15.568 3.548 1.00 21.33 C ATOM 675 C ALA A 48 -2.197 14.177 3.929 1.00 32.42 C ATOM 676 O ALA A 48 -2.247 13.269 3.100 1.00 64.22 O ATOM 677 CB ALA A 48 -0.266 15.739 3.942 1.00 53.02 C ATOM 0 H ALA A 48 -1.972 17.091 4.934 1.00 62.41 H new ATOM 0 HA ALA A 48 -1.852 15.701 2.473 1.00 21.33 H new ATOM 0 HB1 ALA A 48 0.340 15.002 3.416 1.00 53.02 H new ATOM 0 HB2 ALA A 48 0.068 16.741 3.674 1.00 53.02 H new ATOM 0 HB3 ALA A 48 -0.159 15.596 5.017 1.00 53.02 H new ATOM 683 N ARG A 49 -2.549 14.011 5.203 1.00 20.31 N ATOM 684 CA ARG A 49 -3.097 12.762 5.665 1.00 20.12 C ATOM 685 C ARG A 49 -4.442 12.547 5.013 1.00 33.52 C ATOM 686 O ARG A 49 -4.616 11.490 4.426 1.00 32.15 O ATOM 687 CB ARG A 49 -3.208 12.727 7.182 1.00 72.50 C ATOM 688 CG ARG A 49 -1.830 12.825 7.841 1.00 41.12 C ATOM 689 CD ARG A 49 -2.020 12.484 9.313 1.00 3.02 C ATOM 690 NE ARG A 49 -1.152 13.263 10.185 1.00 70.13 N ATOM 691 CZ ARG A 49 0.116 13.018 10.500 1.00 73.21 C ATOM 692 NH1 ARG A 49 0.805 12.054 9.895 1.00 4.03 N ATOM 693 NH2 ARG A 49 0.675 13.768 11.439 1.00 30.52 N ATOM 0 H ARG A 49 -2.460 14.729 5.922 1.00 20.31 H new ATOM 0 HA ARG A 49 -2.424 11.952 5.383 1.00 20.12 H new ATOM 0 HB2 ARG A 49 -3.836 13.550 7.522 1.00 72.50 H new ATOM 0 HB3 ARG A 49 -3.697 11.804 7.492 1.00 72.50 H new ATOM 0 HG2 ARG A 49 -1.128 12.136 7.372 1.00 41.12 H new ATOM 0 HG3 ARG A 49 -1.417 13.827 7.727 1.00 41.12 H new ATOM 0 HD2 ARG A 49 -3.059 12.658 9.591 1.00 3.02 H new ATOM 0 HD3 ARG A 49 -1.823 11.423 9.465 1.00 3.02 H new ATOM 0 HE ARG A 49 -1.566 14.096 10.604 1.00 70.13 H new ATOM 0 HH11 ARG A 49 0.361 11.486 9.174 1.00 4.03 H new ATOM 0 HH12 ARG A 49 1.777 11.883 10.152 1.00 4.03 H new ATOM 0 HH21 ARG A 49 0.134 14.504 11.893 1.00 30.52 H new ATOM 0 HH22 ARG A 49 1.646 13.609 11.707 1.00 30.52 H new ATOM 704 N ALA A 50 -5.356 13.519 5.083 1.00 44.22 N ATOM 705 CA ALA A 50 -6.721 13.397 4.584 1.00 3.14 C ATOM 706 C ALA A 50 -6.760 12.879 3.142 1.00 74.53 C ATOM 707 O ALA A 50 -7.599 12.034 2.826 1.00 11.43 O ATOM 708 CB ALA A 50 -7.450 14.739 4.717 1.00 40.13 C ATOM 0 H ALA A 50 -5.160 14.430 5.497 1.00 44.22 H new ATOM 0 HA ALA A 50 -7.239 12.657 5.194 1.00 3.14 H new ATOM 0 HB1 ALA A 50 -8.469 14.639 4.342 1.00 40.13 H new ATOM 0 HB2 ALA A 50 -7.477 15.036 5.765 1.00 40.13 H new ATOM 0 HB3 ALA A 50 -6.924 15.498 4.138 1.00 40.13 H new ATOM 714 N TYR A 51 -5.839 13.339 2.291 1.00 75.11 N ATOM 715 CA TYR A 51 -5.690 12.879 0.914 1.00 74.33 C ATOM 716 C TYR A 51 -5.425 11.370 0.826 1.00 0.24 C ATOM 717 O TYR A 51 -5.982 10.692 -0.035 1.00 22.31 O ATOM 718 CB TYR A 51 -4.516 13.619 0.281 1.00 3.14 C ATOM 719 CG TYR A 51 -4.287 13.258 -1.166 1.00 40.13 C ATOM 720 CD1 TYR A 51 -4.982 13.951 -2.170 1.00 21.33 C ATOM 721 CD2 TYR A 51 -3.408 12.211 -1.500 1.00 60.13 C ATOM 722 CE1 TYR A 51 -4.767 13.626 -3.519 1.00 14.24 C ATOM 723 CE2 TYR A 51 -3.256 11.829 -2.841 1.00 73.33 C ATOM 724 CZ TYR A 51 -3.931 12.541 -3.855 1.00 60.11 C ATOM 725 OH TYR A 51 -3.759 12.199 -5.157 1.00 15.33 O ATOM 0 H TYR A 51 -5.163 14.058 2.549 1.00 75.11 H new ATOM 0 HA TYR A 51 -6.624 13.082 0.390 1.00 74.33 H new ATOM 0 HB2 TYR A 51 -4.690 14.692 0.356 1.00 3.14 H new ATOM 0 HB3 TYR A 51 -3.611 13.402 0.849 1.00 3.14 H new ATOM 0 HD1 TYR A 51 -5.680 14.732 -1.906 1.00 21.33 H new ATOM 0 HD2 TYR A 51 -2.852 11.703 -0.726 1.00 60.13 H new ATOM 0 HE1 TYR A 51 -5.241 14.206 -4.297 1.00 14.24 H new ATOM 0 HE2 TYR A 51 -2.624 10.992 -3.097 1.00 73.33 H new ATOM 0 HH TYR A 51 -3.878 12.991 -5.722 1.00 15.33 H new ATOM 734 N ALA A 52 -4.554 10.841 1.690 1.00 54.02 N ATOM 735 CA ALA A 52 -4.203 9.427 1.712 1.00 3.22 C ATOM 736 C ALA A 52 -5.447 8.573 1.956 1.00 12.23 C ATOM 737 O ALA A 52 -5.624 7.523 1.343 1.00 55.33 O ATOM 738 CB ALA A 52 -3.162 9.168 2.810 1.00 42.33 C ATOM 0 H ALA A 52 -4.070 11.392 2.399 1.00 54.02 H new ATOM 0 HA ALA A 52 -3.780 9.154 0.745 1.00 3.22 H new ATOM 0 HB1 ALA A 52 -2.902 8.109 2.823 1.00 42.33 H new ATOM 0 HB2 ALA A 52 -2.268 9.758 2.610 1.00 42.33 H new ATOM 0 HB3 ALA A 52 -3.576 9.452 3.778 1.00 42.33 H new ATOM 744 N LEU A 53 -6.298 9.014 2.888 1.00 42.33 N ATOM 745 CA LEU A 53 -7.312 8.184 3.540 1.00 4.23 C ATOM 746 C LEU A 53 -8.426 7.703 2.606 1.00 2.45 C ATOM 747 O LEU A 53 -9.222 6.867 3.033 1.00 32.41 O ATOM 748 CB LEU A 53 -7.974 8.932 4.710 1.00 51.42 C ATOM 749 CG LEU A 53 -7.052 9.677 5.683 1.00 71.22 C ATOM 750 CD1 LEU A 53 -7.869 10.460 6.717 1.00 11.01 C ATOM 751 CD2 LEU A 53 -6.039 8.780 6.395 1.00 12.03 C ATOM 0 H LEU A 53 -6.300 9.980 3.216 1.00 42.33 H new ATOM 0 HA LEU A 53 -6.762 7.310 3.889 1.00 4.23 H new ATOM 0 HB2 LEU A 53 -8.678 9.653 4.294 1.00 51.42 H new ATOM 0 HB3 LEU A 53 -8.557 8.212 5.283 1.00 51.42 H new ATOM 0 HG LEU A 53 -6.475 10.364 5.064 1.00 71.22 H new ATOM 0 HD11 LEU A 53 -7.194 10.980 7.396 1.00 11.01 H new ATOM 0 HD12 LEU A 53 -8.501 11.187 6.207 1.00 11.01 H new ATOM 0 HD13 LEU A 53 -8.494 9.771 7.284 1.00 11.01 H new ATOM 0 HD21 LEU A 53 -5.426 9.383 7.064 1.00 12.03 H new ATOM 0 HD22 LEU A 53 -6.567 8.021 6.972 1.00 12.03 H new ATOM 0 HD23 LEU A 53 -5.400 8.295 5.657 1.00 12.03 H new ATOM 762 N THR A 54 -8.516 8.237 1.386 1.00 41.23 N ATOM 763 CA THR A 54 -9.548 7.891 0.419 1.00 60.51 C ATOM 764 C THR A 54 -9.061 6.756 -0.497 1.00 23.25 C ATOM 765 O THR A 54 -9.851 5.873 -0.831 1.00 11.14 O ATOM 766 CB THR A 54 -10.042 9.182 -0.294 1.00 4.21 C ATOM 767 OG1 THR A 54 -10.941 8.969 -1.372 1.00 61.03 O ATOM 768 CG2 THR A 54 -8.926 10.117 -0.780 1.00 61.10 C ATOM 0 H THR A 54 -7.858 8.936 1.040 1.00 41.23 H new ATOM 0 HA THR A 54 -10.432 7.479 0.906 1.00 60.51 H new ATOM 0 HB THR A 54 -10.583 9.669 0.517 1.00 4.21 H new ATOM 0 HG1 THR A 54 -11.199 9.832 -1.758 1.00 61.03 H new ATOM 0 HG21 THR A 54 -9.367 10.989 -1.264 1.00 61.10 H new ATOM 0 HG22 THR A 54 -8.325 10.439 0.070 1.00 61.10 H new ATOM 0 HG23 THR A 54 -8.293 9.588 -1.492 1.00 61.10 H new ATOM 776 N VAL A 55 -7.794 6.731 -0.934 1.00 21.24 N ATOM 777 CA VAL A 55 -7.382 5.821 -2.015 1.00 72.12 C ATOM 778 C VAL A 55 -7.144 4.395 -1.494 1.00 63.52 C ATOM 779 O VAL A 55 -7.088 3.464 -2.294 1.00 33.11 O ATOM 780 CB VAL A 55 -6.186 6.418 -2.801 1.00 41.20 C ATOM 781 CG1 VAL A 55 -5.750 5.580 -4.017 1.00 14.43 C ATOM 782 CG2 VAL A 55 -6.564 7.816 -3.333 1.00 1.35 C ATOM 0 H VAL A 55 -7.047 7.319 -0.564 1.00 21.24 H new ATOM 0 HA VAL A 55 -8.198 5.726 -2.731 1.00 72.12 H new ATOM 0 HB VAL A 55 -5.358 6.444 -2.092 1.00 41.20 H new ATOM 0 HG11 VAL A 55 -4.909 6.066 -4.511 1.00 14.43 H new ATOM 0 HG12 VAL A 55 -5.451 4.586 -3.685 1.00 14.43 H new ATOM 0 HG13 VAL A 55 -6.581 5.494 -4.717 1.00 14.43 H new ATOM 0 HG21 VAL A 55 -5.723 8.235 -3.885 1.00 1.35 H new ATOM 0 HG22 VAL A 55 -7.427 7.733 -3.994 1.00 1.35 H new ATOM 0 HG23 VAL A 55 -6.810 8.470 -2.496 1.00 1.35 H new ATOM 792 N VAL A 56 -7.063 4.192 -0.172 1.00 72.44 N ATOM 793 CA VAL A 56 -6.764 2.922 0.496 1.00 15.34 C ATOM 794 C VAL A 56 -7.942 1.933 0.389 1.00 32.02 C ATOM 795 O VAL A 56 -8.561 1.556 1.389 1.00 73.01 O ATOM 796 CB VAL A 56 -6.311 3.164 1.960 1.00 73.23 C ATOM 797 CG1 VAL A 56 -5.485 1.970 2.459 1.00 2.05 C ATOM 798 CG2 VAL A 56 -5.482 4.440 2.168 1.00 43.21 C ATOM 0 H VAL A 56 -7.212 4.950 0.494 1.00 72.44 H new ATOM 0 HA VAL A 56 -5.928 2.451 -0.021 1.00 15.34 H new ATOM 0 HB VAL A 56 -7.234 3.285 2.527 1.00 73.23 H new ATOM 0 HG11 VAL A 56 -5.171 2.149 3.487 1.00 2.05 H new ATOM 0 HG12 VAL A 56 -6.091 1.065 2.417 1.00 2.05 H new ATOM 0 HG13 VAL A 56 -4.605 1.847 1.828 1.00 2.05 H new ATOM 0 HG21 VAL A 56 -5.209 4.529 3.219 1.00 43.21 H new ATOM 0 HG22 VAL A 56 -4.578 4.389 1.561 1.00 43.21 H new ATOM 0 HG23 VAL A 56 -6.070 5.308 1.871 1.00 43.21 H new ATOM 915 N GLU A 66 -5.282 -2.221 -12.129 1.00 11.41 N ATOM 916 CA GLU A 66 -4.617 -1.347 -13.096 1.00 71.25 C ATOM 917 C GLU A 66 -5.263 0.028 -13.312 1.00 14.23 C ATOM 918 O GLU A 66 -4.657 0.865 -13.993 1.00 53.31 O ATOM 919 CB GLU A 66 -4.399 -2.032 -14.455 1.00 75.23 C ATOM 920 CG GLU A 66 -3.504 -3.278 -14.425 1.00 34.43 C ATOM 921 CD GLU A 66 -2.568 -3.284 -15.638 1.00 72.45 C ATOM 922 OE1 GLU A 66 -3.044 -3.183 -16.793 1.00 60.14 O ATOM 923 OE2 GLU A 66 -1.332 -3.267 -15.429 1.00 24.10 O ATOM 0 HA GLU A 66 -3.656 -1.155 -12.619 1.00 71.25 H new ATOM 0 HB2 GLU A 66 -5.371 -2.312 -14.862 1.00 75.23 H new ATOM 0 HB3 GLU A 66 -3.962 -1.308 -15.143 1.00 75.23 H new ATOM 0 HG2 GLU A 66 -2.920 -3.293 -13.505 1.00 34.43 H new ATOM 0 HG3 GLU A 66 -4.120 -4.177 -14.427 1.00 34.43 H new ATOM 928 N ASP A 67 -6.427 0.337 -12.735 1.00 44.55 N ATOM 929 CA ASP A 67 -6.991 1.686 -12.910 1.00 54.11 C ATOM 930 C ASP A 67 -6.142 2.667 -12.090 1.00 33.31 C ATOM 931 O ASP A 67 -5.966 3.826 -12.447 1.00 0.21 O ATOM 932 CB ASP A 67 -8.478 1.753 -12.533 1.00 4.10 C ATOM 933 CG ASP A 67 -8.754 2.678 -11.358 1.00 62.22 C ATOM 934 OD1 ASP A 67 -8.534 2.284 -10.192 1.00 53.55 O ATOM 935 OD2 ASP A 67 -9.185 3.826 -11.615 1.00 1.33 O ATOM 0 H ASP A 67 -6.983 -0.298 -12.163 1.00 44.55 H new ATOM 0 HA ASP A 67 -6.953 1.960 -13.964 1.00 54.11 H new ATOM 0 HB2 ASP A 67 -9.051 2.091 -13.396 1.00 4.10 H new ATOM 0 HB3 ASP A 67 -8.831 0.751 -12.289 1.00 4.10 H new ATOM 939 N VAL A 68 -5.523 2.153 -11.034 1.00 51.33 N ATOM 940 CA VAL A 68 -4.731 2.831 -10.027 1.00 31.43 C ATOM 941 C VAL A 68 -3.560 3.614 -10.632 1.00 33.42 C ATOM 942 O VAL A 68 -3.192 4.670 -10.111 1.00 34.13 O ATOM 943 CB VAL A 68 -4.306 1.754 -9.012 1.00 60.23 C ATOM 944 CG1 VAL A 68 -3.529 2.335 -7.830 1.00 3.12 C ATOM 945 CG2 VAL A 68 -5.564 1.064 -8.474 1.00 12.53 C ATOM 0 H VAL A 68 -5.571 1.151 -10.848 1.00 51.33 H new ATOM 0 HA VAL A 68 -5.311 3.603 -9.521 1.00 31.43 H new ATOM 0 HB VAL A 68 -3.650 1.054 -9.529 1.00 60.23 H new ATOM 0 HG11 VAL A 68 -3.254 1.532 -7.146 1.00 3.12 H new ATOM 0 HG12 VAL A 68 -2.627 2.826 -8.194 1.00 3.12 H new ATOM 0 HG13 VAL A 68 -4.152 3.061 -7.307 1.00 3.12 H new ATOM 0 HG21 VAL A 68 -5.279 0.298 -7.753 1.00 12.53 H new ATOM 0 HG22 VAL A 68 -6.203 1.801 -7.987 1.00 12.53 H new ATOM 0 HG23 VAL A 68 -6.107 0.602 -9.299 1.00 12.53 H new ATOM 955 N PHE A 69 -2.983 3.159 -11.749 1.00 43.34 N ATOM 956 CA PHE A 69 -1.999 3.958 -12.471 1.00 60.11 C ATOM 957 C PHE A 69 -2.656 5.244 -12.978 1.00 40.05 C ATOM 958 O PHE A 69 -2.210 6.358 -12.699 1.00 4.00 O ATOM 959 CB PHE A 69 -1.416 3.146 -13.631 1.00 74.22 C ATOM 960 CG PHE A 69 -0.589 3.993 -14.572 1.00 2.30 C ATOM 961 CD1 PHE A 69 0.592 4.604 -14.108 1.00 32.52 C ATOM 962 CD2 PHE A 69 -1.036 4.235 -15.886 1.00 23.43 C ATOM 963 CE1 PHE A 69 1.356 5.407 -14.968 1.00 54.25 C ATOM 964 CE2 PHE A 69 -0.266 5.035 -16.745 1.00 62.14 C ATOM 965 CZ PHE A 69 0.929 5.616 -16.288 1.00 21.10 C ATOM 0 H PHE A 69 -3.181 2.250 -12.166 1.00 43.34 H new ATOM 0 HA PHE A 69 -1.183 4.226 -11.801 1.00 60.11 H new ATOM 0 HB2 PHE A 69 -0.798 2.342 -13.233 1.00 74.22 H new ATOM 0 HB3 PHE A 69 -2.228 2.678 -14.187 1.00 74.22 H new ATOM 0 HD1 PHE A 69 0.910 4.454 -13.087 1.00 32.52 H new ATOM 0 HD2 PHE A 69 -1.966 3.807 -16.231 1.00 23.43 H new ATOM 0 HE1 PHE A 69 2.269 5.863 -14.615 1.00 54.25 H new ATOM 0 HE2 PHE A 69 -0.593 5.204 -17.760 1.00 62.14 H new ATOM 0 HZ PHE A 69 1.521 6.225 -16.955 1.00 21.10 H new ATOM 974 N ARG A 70 -3.744 5.074 -13.726 1.00 54.15 N ATOM 975 CA ARG A 70 -4.493 6.142 -14.359 1.00 1.31 C ATOM 976 C ARG A 70 -5.055 7.098 -13.302 1.00 23.40 C ATOM 977 O ARG A 70 -4.995 8.310 -13.522 1.00 55.24 O ATOM 978 CB ARG A 70 -5.563 5.480 -15.248 1.00 21.34 C ATOM 979 CG ARG A 70 -6.083 6.376 -16.373 1.00 75.23 C ATOM 980 CD ARG A 70 -7.200 7.316 -15.904 1.00 40.24 C ATOM 981 NE ARG A 70 -7.101 8.623 -16.555 1.00 61.34 N ATOM 982 CZ ARG A 70 -7.929 9.653 -16.380 1.00 74.05 C ATOM 983 NH1 ARG A 70 -9.029 9.539 -15.648 1.00 2.41 N ATOM 984 NH2 ARG A 70 -7.628 10.811 -16.940 1.00 14.41 N ATOM 0 H ARG A 70 -4.138 4.151 -13.911 1.00 54.15 H new ATOM 0 HA ARG A 70 -3.865 6.768 -14.993 1.00 1.31 H new ATOM 0 HB2 ARG A 70 -5.146 4.572 -15.684 1.00 21.34 H new ATOM 0 HB3 ARG A 70 -6.402 5.177 -14.622 1.00 21.34 H new ATOM 0 HG2 ARG A 70 -5.259 6.967 -16.773 1.00 75.23 H new ATOM 0 HG3 ARG A 70 -6.454 5.754 -17.187 1.00 75.23 H new ATOM 0 HD2 ARG A 70 -8.170 6.870 -16.124 1.00 40.24 H new ATOM 0 HD3 ARG A 70 -7.144 7.440 -14.823 1.00 40.24 H new ATOM 0 HE ARG A 70 -6.326 8.759 -17.204 1.00 61.34 H new ATOM 0 HH11 ARG A 70 -9.257 8.649 -15.205 1.00 2.41 H new ATOM 0 HH12 ARG A 70 -9.647 10.341 -15.528 1.00 2.41 H new ATOM 0 HH21 ARG A 70 -6.776 10.904 -17.493 1.00 14.41 H new ATOM 0 HH22 ARG A 70 -8.247 11.612 -16.819 1.00 14.41 H new ATOM 995 N LYS A 71 -5.540 6.586 -12.161 1.00 31.23 N ATOM 996 CA LYS A 71 -6.007 7.371 -11.015 1.00 1.24 C ATOM 997 C LYS A 71 -4.931 8.343 -10.552 1.00 13.03 C ATOM 998 O LYS A 71 -5.219 9.529 -10.385 1.00 75.43 O ATOM 999 CB LYS A 71 -6.388 6.440 -9.852 1.00 52.45 C ATOM 1000 CG LYS A 71 -7.897 6.293 -9.626 1.00 63.24 C ATOM 1001 CD LYS A 71 -8.139 5.324 -8.457 1.00 43.11 C ATOM 1002 CE LYS A 71 -9.626 5.076 -8.178 1.00 4.52 C ATOM 1003 NZ LYS A 71 -10.205 4.108 -9.123 1.00 52.25 N ATOM 0 H LYS A 71 -5.619 5.581 -12.008 1.00 31.23 H new ATOM 0 HA LYS A 71 -6.884 7.937 -11.329 1.00 1.24 H new ATOM 0 HB2 LYS A 71 -5.963 5.454 -10.038 1.00 52.45 H new ATOM 0 HB3 LYS A 71 -5.931 6.816 -8.937 1.00 52.45 H new ATOM 0 HG2 LYS A 71 -8.341 7.264 -9.407 1.00 63.24 H new ATOM 0 HG3 LYS A 71 -8.378 5.919 -10.530 1.00 63.24 H new ATOM 0 HD2 LYS A 71 -7.653 4.373 -8.675 1.00 43.11 H new ATOM 0 HD3 LYS A 71 -7.669 5.724 -7.559 1.00 43.11 H new ATOM 0 HE2 LYS A 71 -9.748 4.707 -7.160 1.00 4.52 H new ATOM 0 HE3 LYS A 71 -10.170 6.018 -8.244 1.00 4.52 H new ATOM 0 HZ1 LYS A 71 -11.198 3.928 -8.871 1.00 52.25 H new ATOM 0 HZ2 LYS A 71 -10.157 4.493 -10.088 1.00 52.25 H new ATOM 0 HZ3 LYS A 71 -9.670 3.217 -9.079 1.00 52.25 H new ATOM 1013 N LEU A 72 -3.713 7.852 -10.301 1.00 44.04 N ATOM 1014 CA LEU A 72 -2.627 8.684 -9.788 1.00 11.31 C ATOM 1015 C LEU A 72 -2.181 9.685 -10.853 1.00 14.00 C ATOM 1016 O LEU A 72 -1.930 10.841 -10.525 1.00 13.23 O ATOM 1017 CB LEU A 72 -1.445 7.813 -9.326 1.00 34.33 C ATOM 1018 CG LEU A 72 -1.460 7.363 -7.851 1.00 52.33 C ATOM 1019 CD1 LEU A 72 -1.077 8.525 -6.939 1.00 13.01 C ATOM 1020 CD2 LEU A 72 -2.780 6.751 -7.365 1.00 24.43 C ATOM 0 H LEU A 72 -3.457 6.876 -10.447 1.00 44.04 H new ATOM 0 HA LEU A 72 -2.993 9.239 -8.924 1.00 11.31 H new ATOM 0 HB2 LEU A 72 -1.410 6.923 -9.954 1.00 34.33 H new ATOM 0 HB3 LEU A 72 -0.523 8.366 -9.505 1.00 34.33 H new ATOM 0 HG LEU A 72 -0.724 6.560 -7.800 1.00 52.33 H new ATOM 0 HD11 LEU A 72 -1.092 8.193 -5.901 1.00 13.01 H new ATOM 0 HD12 LEU A 72 -0.076 8.873 -7.194 1.00 13.01 H new ATOM 0 HD13 LEU A 72 -1.789 9.340 -7.069 1.00 13.01 H new ATOM 0 HD21 LEU A 72 -2.686 6.468 -6.317 1.00 24.43 H new ATOM 0 HD22 LEU A 72 -3.581 7.482 -7.473 1.00 24.43 H new ATOM 0 HD23 LEU A 72 -3.012 5.867 -7.960 1.00 24.43 H new ATOM 1031 N ALA A 73 -2.103 9.274 -12.122 1.00 63.21 N ATOM 1032 CA ALA A 73 -1.743 10.177 -13.212 1.00 2.23 C ATOM 1033 C ALA A 73 -2.791 11.273 -13.430 1.00 74.15 C ATOM 1034 O ALA A 73 -2.451 12.343 -13.922 1.00 52.34 O ATOM 1035 CB ALA A 73 -1.517 9.377 -14.498 1.00 44.15 C ATOM 0 H ALA A 73 -2.286 8.315 -12.418 1.00 63.21 H new ATOM 0 HA ALA A 73 -0.817 10.680 -12.933 1.00 2.23 H new ATOM 0 HB1 ALA A 73 -1.249 10.057 -15.307 1.00 44.15 H new ATOM 0 HB2 ALA A 73 -0.710 8.660 -14.344 1.00 44.15 H new ATOM 0 HB3 ALA A 73 -2.431 8.844 -14.760 1.00 44.15 H new ATOM 1041 N ALA A 74 -4.051 11.028 -13.059 1.00 52.13 N ATOM 1042 CA ALA A 74 -5.124 12.016 -13.073 1.00 32.20 C ATOM 1043 C ALA A 74 -5.129 12.869 -11.797 1.00 1.23 C ATOM 1044 O ALA A 74 -6.117 13.561 -11.542 1.00 51.25 O ATOM 1045 CB ALA A 74 -6.469 11.299 -13.259 1.00 20.32 C ATOM 0 H ALA A 74 -4.357 10.111 -12.733 1.00 52.13 H new ATOM 0 HA ALA A 74 -4.958 12.698 -13.907 1.00 32.20 H new ATOM 0 HB1 ALA A 74 -7.274 12.033 -13.270 1.00 20.32 H new ATOM 0 HB2 ALA A 74 -6.463 10.753 -14.202 1.00 20.32 H new ATOM 0 HB3 ALA A 74 -6.626 10.601 -12.437 1.00 20.32 H new ATOM 1051 N ASP A 75 -4.088 12.799 -10.965 1.00 22.41 N ATOM 1052 CA ASP A 75 -3.947 13.567 -9.732 1.00 72.41 C ATOM 1053 C ASP A 75 -2.651 14.356 -9.781 1.00 64.52 C ATOM 1054 O ASP A 75 -2.681 15.582 -9.686 1.00 73.44 O ATOM 1055 CB ASP A 75 -3.996 12.659 -8.494 1.00 42.42 C ATOM 1056 CG ASP A 75 -5.231 12.979 -7.670 1.00 2.14 C ATOM 1057 OD1 ASP A 75 -6.304 12.394 -7.936 1.00 40.23 O ATOM 1058 OD2 ASP A 75 -5.122 13.785 -6.723 1.00 33.53 O ATOM 0 H ASP A 75 -3.294 12.184 -11.140 1.00 22.41 H new ATOM 0 HA ASP A 75 -4.786 14.258 -9.650 1.00 72.41 H new ATOM 0 HB2 ASP A 75 -4.012 11.613 -8.799 1.00 42.42 H new ATOM 0 HB3 ASP A 75 -3.099 12.801 -7.892 1.00 42.42 H new ATOM 1062 N LEU A 76 -1.520 13.671 -9.983 1.00 42.42 N ATOM 1063 CA LEU A 76 -0.211 14.261 -10.229 1.00 23.30 C ATOM 1064 C LEU A 76 -0.053 14.705 -11.686 1.00 54.31 C ATOM 1065 O LEU A 76 1.050 14.650 -12.226 1.00 22.31 O ATOM 1066 CB LEU A 76 0.891 13.248 -9.875 1.00 0.30 C ATOM 1067 CG LEU A 76 1.018 12.828 -8.408 1.00 14.00 C ATOM 1068 CD1 LEU A 76 0.700 13.936 -7.394 1.00 55.31 C ATOM 1069 CD2 LEU A 76 0.210 11.567 -8.140 1.00 4.30 C ATOM 0 H LEU A 76 -1.497 12.651 -9.978 1.00 42.42 H new ATOM 0 HA LEU A 76 -0.121 15.145 -9.598 1.00 23.30 H new ATOM 0 HB2 LEU A 76 0.726 12.349 -10.469 1.00 0.30 H new ATOM 0 HB3 LEU A 76 1.847 13.667 -10.189 1.00 0.30 H new ATOM 0 HG LEU A 76 2.075 12.613 -8.252 1.00 14.00 H new ATOM 0 HD11 LEU A 76 0.816 13.548 -6.382 1.00 55.31 H new ATOM 0 HD12 LEU A 76 1.383 14.772 -7.542 1.00 55.31 H new ATOM 0 HD13 LEU A 76 -0.326 14.276 -7.536 1.00 55.31 H new ATOM 0 HD21 LEU A 76 0.313 11.285 -7.092 1.00 4.30 H new ATOM 0 HD22 LEU A 76 -0.840 11.753 -8.364 1.00 4.30 H new ATOM 0 HD23 LEU A 76 0.578 10.758 -8.772 1.00 4.30 H new ATOM 1080 N GLU A 77 -1.140 15.115 -12.330 1.00 12.11 N ATOM 1081 CA GLU A 77 -1.128 15.700 -13.656 1.00 52.33 C ATOM 1082 C GLU A 77 -0.241 16.956 -13.593 1.00 51.32 C ATOM 1083 O GLU A 77 -0.647 17.975 -13.022 1.00 42.44 O ATOM 1084 CB GLU A 77 -2.584 15.972 -14.071 1.00 73.24 C ATOM 1085 CG GLU A 77 -2.732 16.203 -15.579 1.00 11.20 C ATOM 1086 CD GLU A 77 -4.097 16.806 -15.932 1.00 55.21 C ATOM 1087 OE1 GLU A 77 -5.134 16.289 -15.464 1.00 0.22 O ATOM 1088 OE2 GLU A 77 -4.147 17.811 -16.685 1.00 42.32 O ATOM 0 H GLU A 77 -2.076 15.046 -11.930 1.00 12.11 H new ATOM 0 HA GLU A 77 -0.707 15.045 -14.419 1.00 52.33 H new ATOM 0 HB2 GLU A 77 -3.207 15.128 -13.773 1.00 73.24 H new ATOM 0 HB3 GLU A 77 -2.954 16.846 -13.535 1.00 73.24 H new ATOM 0 HG2 GLU A 77 -1.941 16.868 -15.924 1.00 11.20 H new ATOM 0 HG3 GLU A 77 -2.605 15.257 -16.106 1.00 11.20 H new ATOM 1093 N GLY A 78 0.999 16.859 -14.083 1.00 23.13 N ATOM 1094 CA GLY A 78 1.987 17.928 -13.992 1.00 15.14 C ATOM 1095 C GLY A 78 2.798 17.939 -12.693 1.00 20.50 C ATOM 1096 O GLY A 78 3.374 18.975 -12.356 1.00 13.10 O ATOM 0 H GLY A 78 1.344 16.025 -14.558 1.00 23.13 H new ATOM 0 HA2 GLY A 78 2.675 17.842 -14.833 1.00 15.14 H new ATOM 0 HA3 GLY A 78 1.477 18.886 -14.094 1.00 15.14 H new ATOM 1100 N LYS A 79 2.821 16.835 -11.938 1.00 0.11 N ATOM 1101 CA LYS A 79 3.604 16.672 -10.714 1.00 71.43 C ATOM 1102 C LYS A 79 4.477 15.422 -10.743 1.00 53.05 C ATOM 1103 O LYS A 79 5.552 15.442 -10.140 1.00 34.13 O ATOM 1104 CB LYS A 79 2.675 16.577 -9.501 1.00 51.15 C ATOM 1105 CG LYS A 79 1.855 17.821 -9.161 1.00 12.43 C ATOM 1106 CD LYS A 79 2.783 18.948 -8.723 1.00 35.13 C ATOM 1107 CE LYS A 79 1.958 20.048 -8.061 1.00 21.42 C ATOM 1108 NZ LYS A 79 2.812 20.984 -7.303 1.00 55.13 N ATOM 0 H LYS A 79 2.276 16.005 -12.172 1.00 0.11 H new ATOM 0 HA LYS A 79 4.251 17.546 -10.642 1.00 71.43 H new ATOM 0 HB2 LYS A 79 1.985 15.750 -9.666 1.00 51.15 H new ATOM 0 HB3 LYS A 79 3.278 16.320 -8.630 1.00 51.15 H new ATOM 0 HG2 LYS A 79 1.274 18.133 -10.029 1.00 12.43 H new ATOM 0 HG3 LYS A 79 1.144 17.593 -8.366 1.00 12.43 H new ATOM 0 HD2 LYS A 79 3.531 18.569 -8.027 1.00 35.13 H new ATOM 0 HD3 LYS A 79 3.321 19.348 -9.583 1.00 35.13 H new ATOM 0 HE2 LYS A 79 1.403 20.596 -8.822 1.00 21.42 H new ATOM 0 HE3 LYS A 79 1.224 19.600 -7.391 1.00 21.42 H new ATOM 0 HZ1 LYS A 79 2.283 21.859 -7.112 1.00 55.13 H new ATOM 0 HZ2 LYS A 79 3.094 20.546 -6.403 1.00 55.13 H new ATOM 0 HZ3 LYS A 79 3.661 21.208 -7.860 1.00 55.13 H new ATOM 1118 N ALA A 80 4.014 14.310 -11.317 1.00 24.54 N ATOM 1119 CA ALA A 80 4.785 13.083 -11.386 1.00 34.54 C ATOM 1120 C ALA A 80 4.367 12.358 -12.655 1.00 34.53 C ATOM 1121 O ALA A 80 3.180 12.200 -12.933 1.00 63.15 O ATOM 1122 CB ALA A 80 4.565 12.225 -10.132 1.00 2.30 C ATOM 0 H ALA A 80 3.091 14.242 -11.746 1.00 24.54 H new ATOM 0 HA ALA A 80 5.853 13.297 -11.419 1.00 34.54 H new ATOM 0 HB1 ALA A 80 5.154 11.311 -10.209 1.00 2.30 H new ATOM 0 HB2 ALA A 80 4.876 12.784 -9.249 1.00 2.30 H new ATOM 0 HB3 ALA A 80 3.509 11.970 -10.046 1.00 2.30 H new ATOM 1128 N ASP A 81 5.364 11.952 -13.426 1.00 75.42 N ATOM 1129 CA ASP A 81 5.204 11.369 -14.752 1.00 4.01 C ATOM 1130 C ASP A 81 4.880 9.880 -14.646 1.00 32.43 C ATOM 1131 O ASP A 81 4.990 9.283 -13.573 1.00 20.34 O ATOM 1132 CB ASP A 81 6.504 11.548 -15.551 1.00 34.43 C ATOM 1133 CG ASP A 81 6.919 13.008 -15.687 1.00 32.51 C ATOM 1134 OD1 ASP A 81 6.066 13.832 -16.076 1.00 74.55 O ATOM 1135 OD2 ASP A 81 8.108 13.316 -15.433 1.00 31.41 O ATOM 0 H ASP A 81 6.340 12.021 -13.137 1.00 75.42 H new ATOM 0 HA ASP A 81 4.383 11.875 -15.259 1.00 4.01 H new ATOM 0 HB2 ASP A 81 7.304 10.992 -15.063 1.00 34.43 H new ATOM 0 HB3 ASP A 81 6.377 11.118 -16.544 1.00 34.43 H new ATOM 1139 N GLU A 82 4.580 9.236 -15.778 1.00 24.32 N ATOM 1140 CA GLU A 82 4.535 7.777 -15.897 1.00 21.30 C ATOM 1141 C GLU A 82 5.811 7.160 -15.323 1.00 15.20 C ATOM 1142 O GLU A 82 5.745 6.210 -14.539 1.00 41.05 O ATOM 1143 CB GLU A 82 4.338 7.384 -17.371 1.00 54.35 C ATOM 1144 CG GLU A 82 4.302 5.865 -17.621 1.00 64.43 C ATOM 1145 CD GLU A 82 5.656 5.167 -17.831 1.00 75.23 C ATOM 1146 OE1 GLU A 82 6.681 5.829 -18.100 1.00 75.21 O ATOM 1147 OE2 GLU A 82 5.670 3.913 -17.754 1.00 72.53 O ATOM 0 H GLU A 82 4.359 9.720 -16.648 1.00 24.32 H new ATOM 0 HA GLU A 82 3.692 7.391 -15.323 1.00 21.30 H new ATOM 0 HB2 GLU A 82 3.407 7.822 -17.731 1.00 54.35 H new ATOM 0 HB3 GLU A 82 5.144 7.819 -17.962 1.00 54.35 H new ATOM 0 HG2 GLU A 82 3.803 5.393 -16.775 1.00 64.43 H new ATOM 0 HG3 GLU A 82 3.684 5.679 -18.499 1.00 64.43 H new ATOM 1152 N GLU A 83 6.948 7.766 -15.665 1.00 40.03 N ATOM 1153 CA GLU A 83 8.314 7.430 -15.283 1.00 53.11 C ATOM 1154 C GLU A 83 8.498 7.375 -13.760 1.00 42.41 C ATOM 1155 O GLU A 83 9.459 6.774 -13.282 1.00 51.13 O ATOM 1156 CB GLU A 83 9.221 8.509 -15.893 1.00 22.20 C ATOM 1157 CG GLU A 83 10.706 8.137 -16.015 1.00 1.32 C ATOM 1158 CD GLU A 83 11.480 9.237 -16.751 1.00 35.50 C ATOM 1159 OE1 GLU A 83 11.211 10.429 -16.484 1.00 61.22 O ATOM 1160 OE2 GLU A 83 12.341 8.913 -17.606 1.00 3.32 O ATOM 0 H GLU A 83 6.930 8.583 -16.275 1.00 40.03 H new ATOM 0 HA GLU A 83 8.565 6.436 -15.652 1.00 53.11 H new ATOM 0 HB2 GLU A 83 8.844 8.756 -16.885 1.00 22.20 H new ATOM 0 HB3 GLU A 83 9.140 9.412 -15.287 1.00 22.20 H new ATOM 0 HG2 GLU A 83 11.132 7.987 -15.023 1.00 1.32 H new ATOM 0 HG3 GLU A 83 10.807 7.193 -16.551 1.00 1.32 H new ATOM 1165 N THR A 84 7.575 7.971 -13.002 1.00 71.41 N ATOM 1166 CA THR A 84 7.663 8.191 -11.570 1.00 72.54 C ATOM 1167 C THR A 84 6.518 7.461 -10.862 1.00 74.23 C ATOM 1168 O THR A 84 6.763 6.709 -9.929 1.00 11.24 O ATOM 1169 CB THR A 84 7.623 9.711 -11.310 1.00 62.35 C ATOM 1170 OG1 THR A 84 8.378 10.448 -12.259 1.00 11.00 O ATOM 1171 CG2 THR A 84 8.083 10.059 -9.896 1.00 61.21 C ATOM 0 H THR A 84 6.705 8.328 -13.397 1.00 71.41 H new ATOM 0 HA THR A 84 8.596 7.792 -11.172 1.00 72.54 H new ATOM 0 HB THR A 84 6.578 10.001 -11.418 1.00 62.35 H new ATOM 0 HG1 THR A 84 8.319 11.404 -12.052 1.00 11.00 H new ATOM 0 HG21 THR A 84 8.040 11.139 -9.755 1.00 61.21 H new ATOM 0 HG22 THR A 84 7.431 9.572 -9.171 1.00 61.21 H new ATOM 0 HG23 THR A 84 9.107 9.715 -9.752 1.00 61.21 H new ATOM 1179 N ILE A 85 5.267 7.620 -11.293 1.00 75.24 N ATOM 1180 CA ILE A 85 4.097 6.971 -10.705 1.00 31.12 C ATOM 1181 C ILE A 85 4.271 5.454 -10.697 1.00 1.10 C ATOM 1182 O ILE A 85 4.209 4.835 -9.631 1.00 74.51 O ATOM 1183 CB ILE A 85 2.849 7.368 -11.511 1.00 34.32 C ATOM 1184 CG1 ILE A 85 2.597 8.890 -11.398 1.00 24.24 C ATOM 1185 CG2 ILE A 85 1.593 6.604 -11.039 1.00 62.13 C ATOM 1186 CD1 ILE A 85 1.612 9.411 -12.446 1.00 21.11 C ATOM 0 H ILE A 85 5.034 8.221 -12.083 1.00 75.24 H new ATOM 0 HA ILE A 85 3.981 7.298 -9.672 1.00 31.12 H new ATOM 0 HB ILE A 85 3.039 7.102 -12.551 1.00 34.32 H new ATOM 0 HG12 ILE A 85 2.214 9.117 -10.403 1.00 24.24 H new ATOM 0 HG13 ILE A 85 3.544 9.419 -11.503 1.00 24.24 H new ATOM 0 HG21 ILE A 85 0.734 6.914 -11.634 1.00 62.13 H new ATOM 0 HG22 ILE A 85 1.752 5.533 -11.161 1.00 62.13 H new ATOM 0 HG23 ILE A 85 1.406 6.826 -9.988 1.00 62.13 H new ATOM 0 HD11 ILE A 85 1.476 10.485 -12.316 1.00 21.11 H new ATOM 0 HD12 ILE A 85 2.004 9.213 -13.444 1.00 21.11 H new ATOM 0 HD13 ILE A 85 0.653 8.907 -12.326 1.00 21.11 H new ATOM 1197 N ARG A 86 4.462 4.841 -11.876 1.00 20.50 N ATOM 1198 CA ARG A 86 4.627 3.387 -11.942 1.00 42.31 C ATOM 1199 C ARG A 86 5.862 3.000 -11.134 1.00 33.33 C ATOM 1200 O ARG A 86 5.817 1.980 -10.449 1.00 0.43 O ATOM 1201 CB ARG A 86 4.675 2.887 -13.405 1.00 74.34 C ATOM 1202 CG ARG A 86 3.308 2.411 -13.934 1.00 32.10 C ATOM 1203 CD ARG A 86 3.108 0.887 -13.880 1.00 13.12 C ATOM 1204 NE ARG A 86 3.564 0.212 -15.110 1.00 54.44 N ATOM 1205 CZ ARG A 86 3.558 -1.111 -15.326 1.00 31.10 C ATOM 1206 NH1 ARG A 86 3.243 -1.968 -14.361 1.00 61.45 N ATOM 1207 NH2 ARG A 86 3.870 -1.592 -16.520 1.00 32.34 N ATOM 0 H ARG A 86 4.505 5.320 -12.776 1.00 20.50 H new ATOM 0 HA ARG A 86 3.762 2.893 -11.501 1.00 42.31 H new ATOM 0 HB2 ARG A 86 5.044 3.690 -14.044 1.00 74.34 H new ATOM 0 HB3 ARG A 86 5.390 2.067 -13.478 1.00 74.34 H new ATOM 0 HG2 ARG A 86 2.519 2.891 -13.354 1.00 32.10 H new ATOM 0 HG3 ARG A 86 3.194 2.745 -14.965 1.00 32.10 H new ATOM 0 HD2 ARG A 86 3.651 0.483 -13.025 1.00 13.12 H new ATOM 0 HD3 ARG A 86 2.052 0.668 -13.720 1.00 13.12 H new ATOM 0 HE ARG A 86 3.915 0.804 -15.863 1.00 54.44 H new ATOM 0 HH11 ARG A 86 2.999 -1.623 -13.433 1.00 61.45 H new ATOM 0 HH12 ARG A 86 3.245 -2.971 -14.549 1.00 61.45 H new ATOM 0 HH21 ARG A 86 4.116 -0.955 -17.278 1.00 32.34 H new ATOM 0 HH22 ARG A 86 3.865 -2.599 -16.681 1.00 32.34 H new ATOM 1218 N ALA A 87 6.891 3.853 -11.110 1.00 40.32 N ATOM 1219 CA ALA A 87 8.122 3.583 -10.373 1.00 60.34 C ATOM 1220 C ALA A 87 7.833 3.486 -8.875 1.00 64.33 C ATOM 1221 O ALA A 87 8.039 2.433 -8.280 1.00 60.34 O ATOM 1222 CB ALA A 87 9.226 4.597 -10.697 1.00 3.23 C ATOM 0 H ALA A 87 6.891 4.747 -11.601 1.00 40.32 H new ATOM 0 HA ALA A 87 8.508 2.617 -10.699 1.00 60.34 H new ATOM 0 HB1 ALA A 87 10.122 4.355 -10.125 1.00 3.23 H new ATOM 0 HB2 ALA A 87 9.454 4.558 -11.762 1.00 3.23 H new ATOM 0 HB3 ALA A 87 8.888 5.599 -10.435 1.00 3.23 H new ATOM 1228 N LYS A 88 7.270 4.532 -8.269 1.00 31.31 N ATOM 1229 CA LYS A 88 6.879 4.573 -6.860 1.00 63.12 C ATOM 1230 C LYS A 88 5.958 3.423 -6.512 1.00 52.11 C ATOM 1231 O LYS A 88 6.125 2.807 -5.463 1.00 43.43 O ATOM 1232 CB LYS A 88 6.153 5.891 -6.558 1.00 11.32 C ATOM 1233 CG LYS A 88 7.084 7.104 -6.600 1.00 21.50 C ATOM 1234 CD LYS A 88 8.163 7.161 -5.518 1.00 4.21 C ATOM 1235 CE LYS A 88 7.671 7.151 -4.064 1.00 32.40 C ATOM 1236 NZ LYS A 88 7.983 5.881 -3.367 1.00 33.52 N ATOM 0 H LYS A 88 7.067 5.402 -8.762 1.00 31.31 H new ATOM 0 HA LYS A 88 7.787 4.494 -6.262 1.00 63.12 H new ATOM 0 HB2 LYS A 88 5.349 6.031 -7.280 1.00 11.32 H new ATOM 0 HB3 LYS A 88 5.690 5.828 -5.573 1.00 11.32 H new ATOM 0 HG2 LYS A 88 7.573 7.128 -7.574 1.00 21.50 H new ATOM 0 HG3 LYS A 88 6.476 8.006 -6.526 1.00 21.50 H new ATOM 0 HD2 LYS A 88 8.833 6.313 -5.658 1.00 4.21 H new ATOM 0 HD3 LYS A 88 8.755 8.063 -5.672 1.00 4.21 H new ATOM 0 HE2 LYS A 88 8.128 7.980 -3.524 1.00 32.40 H new ATOM 0 HE3 LYS A 88 6.594 7.315 -4.047 1.00 32.40 H new ATOM 0 HZ1 LYS A 88 7.883 6.015 -2.340 1.00 33.52 H new ATOM 0 HZ2 LYS A 88 7.326 5.140 -3.685 1.00 33.52 H new ATOM 0 HZ3 LYS A 88 8.959 5.596 -3.586 1.00 33.52 H new ATOM 1246 N MET A 89 4.966 3.146 -7.355 1.00 34.12 N ATOM 1247 CA MET A 89 4.019 2.080 -7.093 1.00 71.55 C ATOM 1248 C MET A 89 4.717 0.709 -7.104 1.00 75.22 C ATOM 1249 O MET A 89 4.275 -0.186 -6.382 1.00 51.12 O ATOM 1250 CB MET A 89 2.853 2.206 -8.082 1.00 74.14 C ATOM 1251 CG MET A 89 1.756 1.172 -7.803 1.00 23.31 C ATOM 1252 SD MET A 89 0.173 1.450 -8.645 1.00 20.13 S ATOM 1253 CE MET A 89 0.640 1.329 -10.392 1.00 52.14 C ATOM 0 H MET A 89 4.802 3.650 -8.226 1.00 34.12 H new ATOM 0 HA MET A 89 3.601 2.169 -6.090 1.00 71.55 H new ATOM 0 HB2 MET A 89 2.431 3.209 -8.021 1.00 74.14 H new ATOM 0 HB3 MET A 89 3.223 2.078 -9.099 1.00 74.14 H new ATOM 0 HG2 MET A 89 2.129 0.189 -8.088 1.00 23.31 H new ATOM 0 HG3 MET A 89 1.574 1.145 -6.729 1.00 23.31 H new ATOM 0 HE1 MET A 89 -0.241 1.481 -11.015 1.00 52.14 H new ATOM 0 HE2 MET A 89 1.384 2.091 -10.623 1.00 52.14 H new ATOM 0 HE3 MET A 89 1.058 0.342 -10.589 1.00 52.14 H new ATOM 1261 N VAL A 90 5.811 0.522 -7.850 1.00 75.11 N ATOM 1262 CA VAL A 90 6.666 -0.660 -7.750 1.00 15.24 C ATOM 1263 C VAL A 90 7.558 -0.584 -6.509 1.00 15.42 C ATOM 1264 O VAL A 90 7.680 -1.577 -5.806 1.00 33.34 O ATOM 1265 CB VAL A 90 7.506 -0.832 -9.026 1.00 41.31 C ATOM 1266 CG1 VAL A 90 8.526 -1.969 -8.900 1.00 40.32 C ATOM 1267 CG2 VAL A 90 6.598 -1.198 -10.199 1.00 1.21 C ATOM 0 H VAL A 90 6.129 1.196 -8.547 1.00 75.11 H new ATOM 0 HA VAL A 90 6.026 -1.536 -7.647 1.00 15.24 H new ATOM 0 HB VAL A 90 8.023 0.114 -9.183 1.00 41.31 H new ATOM 0 HG11 VAL A 90 9.095 -2.052 -9.826 1.00 40.32 H new ATOM 0 HG12 VAL A 90 9.205 -1.758 -8.074 1.00 40.32 H new ATOM 0 HG13 VAL A 90 8.004 -2.907 -8.710 1.00 40.32 H new ATOM 0 HG21 VAL A 90 7.199 -1.319 -11.100 1.00 1.21 H new ATOM 0 HG22 VAL A 90 6.080 -2.132 -9.981 1.00 1.21 H new ATOM 0 HG23 VAL A 90 5.866 -0.405 -10.354 1.00 1.21 H new ATOM 1277 N GLU A 91 8.161 0.568 -6.211 1.00 75.53 N ATOM 1278 CA GLU A 91 9.088 0.804 -5.096 1.00 61.34 C ATOM 1279 C GLU A 91 8.453 0.567 -3.720 1.00 14.42 C ATOM 1280 O GLU A 91 9.134 0.543 -2.696 1.00 43.11 O ATOM 1281 CB GLU A 91 9.572 2.257 -5.191 1.00 73.31 C ATOM 1282 CG GLU A 91 10.933 2.471 -4.518 1.00 74.44 C ATOM 1283 CD GLU A 91 11.222 3.928 -4.163 1.00 20.40 C ATOM 1284 OE1 GLU A 91 10.340 4.812 -4.254 1.00 60.32 O ATOM 1285 OE2 GLU A 91 12.360 4.193 -3.712 1.00 4.21 O ATOM 0 H GLU A 91 8.010 1.408 -6.769 1.00 75.53 H new ATOM 0 HA GLU A 91 9.909 0.093 -5.182 1.00 61.34 H new ATOM 0 HB2 GLU A 91 9.640 2.545 -6.240 1.00 73.31 H new ATOM 0 HB3 GLU A 91 8.835 2.913 -4.728 1.00 73.31 H new ATOM 0 HG2 GLU A 91 10.978 1.870 -3.610 1.00 74.44 H new ATOM 0 HG3 GLU A 91 11.717 2.106 -5.181 1.00 74.44 H new ATOM 1290 N LEU A 92 7.136 0.411 -3.685 1.00 41.24 N ATOM 1291 CA LEU A 92 6.358 0.112 -2.499 1.00 54.35 C ATOM 1292 C LEU A 92 5.861 -1.325 -2.515 1.00 35.24 C ATOM 1293 O LEU A 92 5.398 -1.822 -1.491 1.00 64.35 O ATOM 1294 CB LEU A 92 5.178 1.091 -2.462 1.00 2.24 C ATOM 1295 CG LEU A 92 5.652 2.546 -2.237 1.00 1.04 C ATOM 1296 CD1 LEU A 92 4.482 3.507 -2.451 1.00 23.13 C ATOM 1297 CD2 LEU A 92 6.287 2.751 -0.860 1.00 61.50 C ATOM 0 H LEU A 92 6.559 0.494 -4.522 1.00 41.24 H new ATOM 0 HA LEU A 92 6.977 0.223 -1.609 1.00 54.35 H new ATOM 0 HB2 LEU A 92 4.624 1.029 -3.398 1.00 2.24 H new ATOM 0 HB3 LEU A 92 4.491 0.804 -1.666 1.00 2.24 H new ATOM 0 HG LEU A 92 6.433 2.758 -2.968 1.00 1.04 H new ATOM 0 HD11 LEU A 92 4.819 4.531 -2.292 1.00 23.13 H new ATOM 0 HD12 LEU A 92 4.107 3.402 -3.469 1.00 23.13 H new ATOM 0 HD13 LEU A 92 3.685 3.273 -1.745 1.00 23.13 H new ATOM 0 HD21 LEU A 92 6.602 3.789 -0.755 1.00 61.50 H new ATOM 0 HD22 LEU A 92 5.559 2.513 -0.085 1.00 61.50 H new ATOM 0 HD23 LEU A 92 7.153 2.097 -0.758 1.00 61.50 H new ATOM 1308 N ARG A 93 5.930 -2.003 -3.657 1.00 33.53 N ATOM 1309 CA ARG A 93 5.314 -3.295 -3.880 1.00 62.42 C ATOM 1310 C ARG A 93 6.083 -4.354 -3.110 1.00 22.30 C ATOM 1311 O ARG A 93 5.536 -4.936 -2.173 1.00 12.43 O ATOM 1312 CB ARG A 93 5.230 -3.568 -5.392 1.00 31.14 C ATOM 1313 CG ARG A 93 3.911 -4.258 -5.757 1.00 73.34 C ATOM 1314 CD ARG A 93 2.780 -3.224 -5.897 1.00 21.22 C ATOM 1315 NE ARG A 93 2.840 -2.523 -7.189 1.00 35.52 N ATOM 1316 CZ ARG A 93 2.353 -2.943 -8.370 1.00 0.21 C ATOM 1317 NH1 ARG A 93 1.826 -4.156 -8.508 1.00 0.34 N ATOM 1318 NH2 ARG A 93 2.415 -2.127 -9.419 1.00 74.41 N ATOM 0 H ARG A 93 6.432 -1.653 -4.473 1.00 33.53 H new ATOM 0 HA ARG A 93 4.291 -3.315 -3.505 1.00 62.42 H new ATOM 0 HB2 ARG A 93 5.316 -2.629 -5.939 1.00 31.14 H new ATOM 0 HB3 ARG A 93 6.068 -4.194 -5.699 1.00 31.14 H new ATOM 0 HG2 ARG A 93 4.028 -4.806 -6.692 1.00 73.34 H new ATOM 0 HG3 ARG A 93 3.651 -4.987 -4.990 1.00 73.34 H new ATOM 0 HD2 ARG A 93 1.816 -3.723 -5.798 1.00 21.22 H new ATOM 0 HD3 ARG A 93 2.848 -2.499 -5.086 1.00 21.22 H new ATOM 0 HE ARG A 93 3.304 -1.615 -7.189 1.00 35.52 H new ATOM 0 HH11 ARG A 93 1.785 -4.788 -7.709 1.00 0.34 H new ATOM 0 HH12 ARG A 93 1.462 -4.454 -9.413 1.00 0.34 H new ATOM 0 HH21 ARG A 93 2.827 -1.199 -9.320 1.00 74.41 H new ATOM 0 HH22 ARG A 93 2.050 -2.429 -10.322 1.00 74.41 H new ATOM 1329 N ALA A 94 7.362 -4.543 -3.432 1.00 73.22 N ATOM 1330 CA ALA A 94 8.229 -5.512 -2.780 1.00 34.12 C ATOM 1331 C ALA A 94 8.709 -5.041 -1.396 1.00 3.13 C ATOM 1332 O ALA A 94 9.436 -5.778 -0.732 1.00 15.10 O ATOM 1333 CB ALA A 94 9.410 -5.820 -3.710 1.00 64.32 C ATOM 0 H ALA A 94 7.830 -4.014 -4.168 1.00 73.22 H new ATOM 0 HA ALA A 94 7.657 -6.421 -2.597 1.00 34.12 H new ATOM 0 HB1 ALA A 94 10.069 -6.546 -3.233 1.00 64.32 H new ATOM 0 HB2 ALA A 94 9.037 -6.230 -4.648 1.00 64.32 H new ATOM 0 HB3 ALA A 94 9.965 -4.903 -3.910 1.00 64.32 H new ATOM 1339 N THR A 95 8.338 -3.833 -0.963 1.00 51.31 N ATOM 1340 CA THR A 95 8.703 -3.257 0.328 1.00 24.12 C ATOM 1341 C THR A 95 7.565 -3.461 1.322 1.00 64.50 C ATOM 1342 O THR A 95 7.774 -4.061 2.377 1.00 2.03 O ATOM 1343 CB THR A 95 9.032 -1.762 0.169 1.00 42.44 C ATOM 1344 OG1 THR A 95 9.929 -1.611 -0.911 1.00 2.33 O ATOM 1345 CG2 THR A 95 9.634 -1.159 1.439 1.00 54.30 C ATOM 0 H THR A 95 7.756 -3.210 -1.523 1.00 51.31 H new ATOM 0 HA THR A 95 9.592 -3.760 0.709 1.00 24.12 H new ATOM 0 HB THR A 95 8.103 -1.226 -0.024 1.00 42.44 H new ATOM 0 HG1 THR A 95 9.626 -0.879 -1.488 1.00 2.33 H new ATOM 0 HG21 THR A 95 9.848 -0.103 1.274 1.00 54.30 H new ATOM 0 HG22 THR A 95 8.926 -1.262 2.261 1.00 54.30 H new ATOM 0 HG23 THR A 95 10.558 -1.682 1.688 1.00 54.30 H new ATOM 1353 N ALA A 96 6.363 -2.970 0.987 1.00 75.41 N ATOM 1354 CA ALA A 96 5.215 -2.940 1.886 1.00 31.21 C ATOM 1355 C ALA A 96 4.812 -4.346 2.337 1.00 20.43 C ATOM 1356 O ALA A 96 4.263 -4.499 3.419 1.00 42.12 O ATOM 1357 CB ALA A 96 4.039 -2.256 1.206 1.00 42.10 C ATOM 0 H ALA A 96 6.165 -2.577 0.067 1.00 75.41 H new ATOM 0 HA ALA A 96 5.503 -2.375 2.773 1.00 31.21 H new ATOM 0 HB1 ALA A 96 3.186 -2.238 1.885 1.00 42.10 H new ATOM 0 HB2 ALA A 96 4.315 -1.235 0.943 1.00 42.10 H new ATOM 0 HB3 ALA A 96 3.772 -2.804 0.302 1.00 42.10 H new ATOM 1363 N ARG A 97 5.087 -5.362 1.510 1.00 62.23 N ATOM 1364 CA ARG A 97 4.859 -6.768 1.824 1.00 72.30 C ATOM 1365 C ARG A 97 5.602 -7.139 3.104 1.00 75.30 C ATOM 1366 O ARG A 97 4.972 -7.504 4.088 1.00 61.31 O ATOM 1367 CB ARG A 97 5.295 -7.648 0.639 1.00 61.44 C ATOM 1368 CG ARG A 97 4.361 -7.499 -0.570 1.00 15.12 C ATOM 1369 CD ARG A 97 4.898 -8.261 -1.791 1.00 13.13 C ATOM 1370 NE ARG A 97 4.547 -9.682 -1.687 1.00 20.40 N ATOM 1371 CZ ARG A 97 5.137 -10.748 -2.233 1.00 72.34 C ATOM 1372 NH1 ARG A 97 6.240 -10.651 -2.958 1.00 2.24 N ATOM 1373 NH2 ARG A 97 4.578 -11.940 -2.074 1.00 23.30 N ATOM 0 H ARG A 97 5.484 -5.220 0.581 1.00 62.23 H new ATOM 0 HA ARG A 97 3.796 -6.939 1.992 1.00 72.30 H new ATOM 0 HB2 ARG A 97 6.311 -7.382 0.346 1.00 61.44 H new ATOM 0 HB3 ARG A 97 5.317 -8.692 0.953 1.00 61.44 H new ATOM 0 HG2 ARG A 97 3.369 -7.872 -0.314 1.00 15.12 H new ATOM 0 HG3 ARG A 97 4.250 -6.443 -0.818 1.00 15.12 H new ATOM 0 HD2 ARG A 97 4.480 -7.840 -2.706 1.00 13.13 H new ATOM 0 HD3 ARG A 97 5.980 -8.148 -1.854 1.00 13.13 H new ATOM 0 HE ARG A 97 3.730 -9.886 -1.111 1.00 20.40 H new ATOM 0 HH11 ARG A 97 6.668 -9.739 -3.116 1.00 2.24 H new ATOM 0 HH12 ARG A 97 6.662 -11.489 -3.359 1.00 2.24 H new ATOM 0 HH21 ARG A 97 3.712 -12.030 -1.542 1.00 23.30 H new ATOM 0 HH22 ARG A 97 5.014 -12.766 -2.484 1.00 23.30 H new ATOM 1384 N GLU A 98 6.926 -7.006 3.118 1.00 11.12 N ATOM 1385 CA GLU A 98 7.757 -7.372 4.256 1.00 22.21 C ATOM 1386 C GLU A 98 7.437 -6.468 5.455 1.00 11.42 C ATOM 1387 O GLU A 98 7.411 -6.913 6.605 1.00 62.10 O ATOM 1388 CB GLU A 98 9.215 -7.190 3.818 1.00 3.14 C ATOM 1389 CG GLU A 98 9.670 -8.116 2.679 1.00 51.31 C ATOM 1390 CD GLU A 98 9.543 -9.608 2.989 1.00 54.44 C ATOM 1391 OE1 GLU A 98 8.401 -10.125 2.988 1.00 74.54 O ATOM 1392 OE2 GLU A 98 10.590 -10.276 3.119 1.00 55.43 O ATOM 0 H GLU A 98 7.456 -6.636 2.329 1.00 11.12 H new ATOM 0 HA GLU A 98 7.573 -8.401 4.563 1.00 22.21 H new ATOM 0 HB2 GLU A 98 9.358 -6.156 3.505 1.00 3.14 H new ATOM 0 HB3 GLU A 98 9.861 -7.355 4.680 1.00 3.14 H new ATOM 0 HG2 GLU A 98 9.084 -7.891 1.788 1.00 51.31 H new ATOM 0 HG3 GLU A 98 10.710 -7.894 2.440 1.00 51.31 H new ATOM 1397 N GLN A 99 7.128 -5.198 5.179 1.00 40.23 N ATOM 1398 CA GLN A 99 6.669 -4.212 6.129 1.00 2.04 C ATOM 1399 C GLN A 99 5.424 -4.637 6.924 1.00 22.22 C ATOM 1400 O GLN A 99 5.206 -4.084 8.000 1.00 31.11 O ATOM 1401 CB GLN A 99 6.418 -2.905 5.362 1.00 15.32 C ATOM 1402 CG GLN A 99 7.477 -1.843 5.644 1.00 34.14 C ATOM 1403 CD GLN A 99 7.094 -0.465 5.086 1.00 30.32 C ATOM 1404 OE1 GLN A 99 5.920 -0.106 4.987 1.00 15.12 O ATOM 1405 NE2 GLN A 99 8.063 0.335 4.680 1.00 51.42 N ATOM 0 H GLN A 99 7.199 -4.822 4.233 1.00 40.23 H new ATOM 0 HA GLN A 99 7.444 -4.084 6.885 1.00 2.04 H new ATOM 0 HB2 GLN A 99 6.396 -3.115 4.293 1.00 15.32 H new ATOM 0 HB3 GLN A 99 5.437 -2.514 5.631 1.00 15.32 H new ATOM 0 HG2 GLN A 99 7.631 -1.765 6.720 1.00 34.14 H new ATOM 0 HG3 GLN A 99 8.426 -2.156 5.208 1.00 34.14 H new ATOM 0 HE21 GLN A 99 9.036 0.040 4.761 1.00 51.42 H new ATOM 0 HE22 GLN A 99 7.839 1.248 4.285 1.00 51.42 H new ATOM 1412 N ILE A 100 4.622 -5.598 6.454 1.00 71.34 N ATOM 1413 CA ILE A 100 3.497 -6.138 7.216 1.00 15.04 C ATOM 1414 C ILE A 100 4.013 -6.775 8.501 1.00 23.14 C ATOM 1415 O ILE A 100 3.497 -6.477 9.574 1.00 42.14 O ATOM 1416 CB ILE A 100 2.696 -7.134 6.340 1.00 42.01 C ATOM 1417 CG1 ILE A 100 1.949 -6.417 5.190 1.00 15.02 C ATOM 1418 CG2 ILE A 100 1.685 -8.000 7.104 1.00 74.42 C ATOM 1419 CD1 ILE A 100 1.086 -5.235 5.638 1.00 0.03 C ATOM 0 H ILE A 100 4.737 -6.022 5.533 1.00 71.34 H new ATOM 0 HA ILE A 100 2.813 -5.338 7.498 1.00 15.04 H new ATOM 0 HB ILE A 100 3.464 -7.800 5.947 1.00 42.01 H new ATOM 0 HG12 ILE A 100 2.680 -6.063 4.463 1.00 15.02 H new ATOM 0 HG13 ILE A 100 1.315 -7.141 4.678 1.00 15.02 H new ATOM 0 HG21 ILE A 100 1.174 -8.664 6.407 1.00 74.42 H new ATOM 0 HG22 ILE A 100 2.208 -8.594 7.854 1.00 74.42 H new ATOM 0 HG23 ILE A 100 0.954 -7.358 7.595 1.00 74.42 H new ATOM 0 HD11 ILE A 100 0.599 -4.791 4.770 1.00 0.03 H new ATOM 0 HD12 ILE A 100 0.329 -5.583 6.341 1.00 0.03 H new ATOM 0 HD13 ILE A 100 1.715 -4.488 6.123 1.00 0.03 H new ATOM 1430 N ILE A 101 5.026 -7.633 8.424 1.00 3.43 N ATOM 1431 CA ILE A 101 5.632 -8.259 9.581 1.00 53.01 C ATOM 1432 C ILE A 101 6.401 -7.222 10.376 1.00 22.42 C ATOM 1433 O ILE A 101 6.411 -7.276 11.601 1.00 63.11 O ATOM 1434 CB ILE A 101 6.529 -9.414 9.113 1.00 14.23 C ATOM 1435 CG1 ILE A 101 5.711 -10.441 8.310 1.00 73.13 C ATOM 1436 CG2 ILE A 101 7.254 -10.062 10.301 1.00 24.15 C ATOM 1437 CD1 ILE A 101 4.404 -10.913 8.944 1.00 54.41 C ATOM 0 H ILE A 101 5.451 -7.913 7.540 1.00 3.43 H new ATOM 0 HA ILE A 101 4.868 -8.672 10.239 1.00 53.01 H new ATOM 0 HB ILE A 101 7.295 -9.012 8.450 1.00 14.23 H new ATOM 0 HG12 ILE A 101 5.482 -10.009 7.336 1.00 73.13 H new ATOM 0 HG13 ILE A 101 6.339 -11.314 8.132 1.00 73.13 H new ATOM 0 HG21 ILE A 101 7.883 -10.877 9.943 1.00 24.15 H new ATOM 0 HG22 ILE A 101 7.875 -9.317 10.799 1.00 24.15 H new ATOM 0 HG23 ILE A 101 6.520 -10.453 11.006 1.00 24.15 H new ATOM 0 HD11 ILE A 101 3.919 -11.633 8.285 1.00 54.41 H new ATOM 0 HD12 ILE A 101 4.615 -11.384 9.904 1.00 54.41 H new ATOM 0 HD13 ILE A 101 3.744 -10.059 9.096 1.00 54.41 H new ATOM 1448 N SER A 102 7.004 -6.252 9.695 1.00 30.41 N ATOM 1449 CA SER A 102 7.789 -5.222 10.353 1.00 10.12 C ATOM 1450 C SER A 102 6.912 -4.295 11.206 1.00 34.44 C ATOM 1451 O SER A 102 7.470 -3.469 11.930 1.00 10.42 O ATOM 1452 CB SER A 102 8.515 -4.416 9.284 1.00 43.02 C ATOM 1453 OG SER A 102 9.529 -3.584 9.810 1.00 2.14 O ATOM 0 H SER A 102 6.961 -6.161 8.680 1.00 30.41 H new ATOM 0 HA SER A 102 8.502 -5.698 11.026 1.00 10.12 H new ATOM 0 HB2 SER A 102 8.955 -5.100 8.558 1.00 43.02 H new ATOM 0 HB3 SER A 102 7.792 -3.802 8.747 1.00 43.02 H new ATOM 0 HG SER A 102 9.268 -3.275 10.703 1.00 2.14 H new ATOM 1458 N GLU A 103 5.580 -4.374 11.098 1.00 45.03 N ATOM 1459 CA GLU A 103 4.677 -3.618 11.952 1.00 3.41 C ATOM 1460 C GLU A 103 4.373 -4.389 13.239 1.00 42.00 C ATOM 1461 O GLU A 103 3.981 -3.776 14.232 1.00 65.41 O ATOM 1462 CB GLU A 103 3.401 -3.236 11.179 1.00 21.25 C ATOM 1463 CG GLU A 103 2.158 -4.134 11.330 1.00 32.32 C ATOM 1464 CD GLU A 103 1.276 -3.742 12.523 1.00 73.33 C ATOM 1465 OE1 GLU A 103 1.005 -2.534 12.713 1.00 42.34 O ATOM 1466 OE2 GLU A 103 0.787 -4.628 13.263 1.00 33.54 O ATOM 0 H GLU A 103 5.106 -4.965 10.415 1.00 45.03 H new ATOM 0 HA GLU A 103 5.164 -2.689 12.249 1.00 3.41 H new ATOM 0 HB2 GLU A 103 3.120 -2.227 11.479 1.00 21.25 H new ATOM 0 HB3 GLU A 103 3.654 -3.194 10.120 1.00 21.25 H new ATOM 0 HG2 GLU A 103 1.567 -4.083 10.416 1.00 32.32 H new ATOM 0 HG3 GLU A 103 2.477 -5.170 11.446 1.00 32.32 H new ATOM 1471 N ILE A 104 4.492 -5.720 13.205 1.00 30.31 N ATOM 1472 CA ILE A 104 4.147 -6.589 14.330 1.00 24.51 C ATOM 1473 C ILE A 104 5.308 -6.592 15.323 1.00 34.21 C ATOM 1474 O ILE A 104 5.172 -5.928 16.373 1.00 74.14 O ATOM 1475 CB ILE A 104 3.759 -8.028 13.897 1.00 43.43 C ATOM 1476 CG1 ILE A 104 3.099 -8.186 12.522 1.00 40.31 C ATOM 1477 CG2 ILE A 104 2.825 -8.632 14.960 1.00 63.20 C ATOM 1478 CD1 ILE A 104 3.097 -9.653 12.062 1.00 42.14 C ATOM 0 H ILE A 104 4.833 -6.227 12.388 1.00 30.31 H new ATOM 0 HA ILE A 104 3.253 -6.187 14.807 1.00 24.51 H new ATOM 0 HB ILE A 104 4.712 -8.550 13.808 1.00 43.43 H new ATOM 0 HG12 ILE A 104 2.075 -7.816 12.564 1.00 40.31 H new ATOM 0 HG13 ILE A 104 3.629 -7.575 11.791 1.00 40.31 H new ATOM 0 HG21 ILE A 104 2.546 -9.644 14.666 1.00 63.20 H new ATOM 0 HG22 ILE A 104 3.339 -8.662 15.921 1.00 63.20 H new ATOM 0 HG23 ILE A 104 1.928 -8.019 15.047 1.00 63.20 H new ATOM 0 HD11 ILE A 104 2.622 -9.727 11.084 1.00 42.14 H new ATOM 0 HD12 ILE A 104 4.123 -10.015 11.995 1.00 42.14 H new ATOM 0 HD13 ILE A 104 2.545 -10.259 12.781 1.00 42.14 H new