USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 548 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 Set 1.1: A 48 SER OG : rot 169:sc= -0.846 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 180:sc= -0.195 USER MOD Single : A 23 THR OG1 : rot -88:sc= 1.22 USER MOD Single : A 24 MET CE :methyl -112:sc= -1.33 (180deg=-2.8!) USER MOD Single : A 34 GLN : amide:sc= -1.44 K(o=-1.4,f=-6.1!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0151 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.0159 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.0635 X(o=-0.063,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.348 K(o=-0.35,f=-0.92) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS :FLIP no HD1:sc= -0.0314 F(o=-1.2,f=-0.031) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 145 N TYR A 11 7.746 16.147 -11.257 1.00 24.21 N ATOM 146 CA TYR A 11 8.653 17.231 -11.615 1.00 24.23 C ATOM 147 C TYR A 11 9.713 17.433 -10.536 1.00 11.23 C ATOM 148 O TYR A 11 9.395 17.747 -9.389 1.00 14.33 O ATOM 149 CB TYR A 11 7.872 18.528 -11.828 1.00 0.43 C ATOM 150 CG TYR A 11 6.880 18.458 -12.966 1.00 73.33 C ATOM 151 CD1 TYR A 11 7.292 18.139 -14.254 1.00 54.13 C ATOM 152 CD2 TYR A 11 5.530 18.709 -12.754 1.00 34.45 C ATOM 153 CE1 TYR A 11 6.388 18.074 -15.298 1.00 4.25 C ATOM 154 CE2 TYR A 11 4.619 18.645 -13.791 1.00 21.55 C ATOM 155 CZ TYR A 11 5.053 18.327 -15.061 1.00 4.53 C ATOM 156 OH TYR A 11 4.150 18.262 -16.097 1.00 3.41 O ATOM 0 HA TYR A 11 9.154 16.960 -12.544 1.00 24.23 H new ATOM 0 HB2 TYR A 11 7.341 18.777 -10.909 1.00 0.43 H new ATOM 0 HB3 TYR A 11 8.575 19.338 -12.020 1.00 0.43 H new ATOM 0 HD1 TYR A 11 8.336 17.938 -14.443 1.00 54.13 H new ATOM 0 HD2 TYR A 11 5.187 18.959 -11.761 1.00 34.45 H new ATOM 0 HE1 TYR A 11 6.725 17.826 -16.294 1.00 4.25 H new ATOM 0 HE2 TYR A 11 3.573 18.843 -13.608 1.00 21.55 H new ATOM 0 HH TYR A 11 3.252 18.466 -15.762 1.00 3.41 H new ATOM 166 N ARG A 12 10.974 17.251 -10.913 1.00 2.52 N ATOM 167 CA ARG A 12 12.082 17.413 -9.979 1.00 12.24 C ATOM 168 C ARG A 12 12.251 18.878 -9.584 1.00 61.44 C ATOM 169 O ARG A 12 12.462 19.194 -8.414 1.00 43.33 O ATOM 170 CB ARG A 12 13.379 16.887 -10.596 1.00 73.00 C ATOM 171 CG ARG A 12 13.724 17.531 -11.929 1.00 1.34 C ATOM 172 CD ARG A 12 14.340 16.527 -12.890 1.00 22.00 C ATOM 173 NE ARG A 12 13.555 16.388 -14.114 1.00 3.32 N ATOM 174 CZ ARG A 12 13.679 15.367 -14.954 1.00 53.02 C ATOM 175 NH1 ARG A 12 14.550 14.400 -14.704 1.00 24.10 N ATOM 176 NH2 ARG A 12 12.929 15.311 -16.047 1.00 54.53 N ATOM 0 H ARG A 12 11.254 16.991 -11.859 1.00 2.52 H new ATOM 0 HA ARG A 12 11.855 16.837 -9.082 1.00 12.24 H new ATOM 0 HB2 ARG A 12 14.198 17.056 -9.897 1.00 73.00 H new ATOM 0 HB3 ARG A 12 13.295 15.809 -10.734 1.00 73.00 H new ATOM 0 HG2 ARG A 12 12.824 17.956 -12.373 1.00 1.34 H new ATOM 0 HG3 ARG A 12 14.419 18.355 -11.767 1.00 1.34 H new ATOM 0 HD2 ARG A 12 15.353 16.841 -13.143 1.00 22.00 H new ATOM 0 HD3 ARG A 12 14.420 15.557 -12.399 1.00 22.00 H new ATOM 0 HE ARG A 12 12.875 17.115 -14.336 1.00 3.32 H new ATOM 0 HH11 ARG A 12 15.128 14.439 -13.864 1.00 24.10 H new ATOM 0 HH12 ARG A 12 14.643 13.617 -15.351 1.00 24.10 H new ATOM 0 HH21 ARG A 12 12.257 16.053 -16.243 1.00 54.53 H new ATOM 0 HH22 ARG A 12 13.025 14.526 -16.692 1.00 54.53 H new ATOM 190 N GLU A 13 12.157 19.765 -10.570 1.00 3.13 N ATOM 191 CA GLU A 13 12.302 21.195 -10.325 1.00 14.31 C ATOM 192 C GLU A 13 11.265 21.682 -9.316 1.00 70.04 C ATOM 193 O GLU A 13 11.576 22.470 -8.423 1.00 15.41 O ATOM 194 CB GLU A 13 12.162 21.976 -11.634 1.00 32.15 C ATOM 195 CG GLU A 13 13.423 21.976 -12.480 1.00 65.42 C ATOM 196 CD GLU A 13 13.651 23.297 -13.189 1.00 33.21 C ATOM 197 OE1 GLU A 13 13.684 24.340 -12.502 1.00 74.44 O ATOM 198 OE2 GLU A 13 13.795 23.288 -14.429 1.00 41.31 O ATOM 0 H GLU A 13 11.981 19.519 -11.544 1.00 3.13 H new ATOM 0 HA GLU A 13 13.296 21.368 -9.911 1.00 14.31 H new ATOM 0 HB2 GLU A 13 11.344 21.550 -12.216 1.00 32.15 H new ATOM 0 HB3 GLU A 13 11.888 23.006 -11.405 1.00 32.15 H new ATOM 0 HG2 GLU A 13 14.281 21.756 -11.845 1.00 65.42 H new ATOM 0 HG3 GLU A 13 13.360 21.178 -13.219 1.00 65.42 H new ATOM 205 N ILE A 14 10.033 21.207 -9.467 1.00 42.10 N ATOM 206 CA ILE A 14 8.951 21.593 -8.570 1.00 22.12 C ATOM 207 C ILE A 14 9.294 21.263 -7.121 1.00 43.11 C ATOM 208 O ILE A 14 8.717 21.827 -6.192 1.00 50.32 O ATOM 209 CB ILE A 14 7.632 20.893 -8.945 1.00 72.23 C ATOM 210 CG1 ILE A 14 7.208 21.283 -10.363 1.00 33.32 C ATOM 211 CG2 ILE A 14 6.542 21.245 -7.944 1.00 54.55 C ATOM 212 CD1 ILE A 14 6.943 22.763 -10.529 1.00 22.22 C ATOM 0 H ILE A 14 9.760 20.555 -10.202 1.00 42.10 H new ATOM 0 HA ILE A 14 8.824 22.670 -8.675 1.00 22.12 H new ATOM 0 HB ILE A 14 7.789 19.815 -8.917 1.00 72.23 H new ATOM 0 HG12 ILE A 14 7.987 20.981 -11.063 1.00 33.32 H new ATOM 0 HG13 ILE A 14 6.308 20.729 -10.630 1.00 33.32 H new ATOM 0 HG21 ILE A 14 5.616 20.742 -8.223 1.00 54.55 H new ATOM 0 HG22 ILE A 14 6.845 20.922 -6.948 1.00 54.55 H new ATOM 0 HG23 ILE A 14 6.383 22.323 -7.943 1.00 54.55 H new ATOM 0 HD11 ILE A 14 6.647 22.966 -11.558 1.00 22.22 H new ATOM 0 HD12 ILE A 14 6.143 23.067 -9.855 1.00 22.22 H new ATOM 0 HD13 ILE A 14 7.848 23.323 -10.294 1.00 22.22 H new ATOM 224 N MET A 15 10.239 20.347 -6.936 1.00 61.14 N ATOM 225 CA MET A 15 10.662 19.944 -5.600 1.00 13.20 C ATOM 226 C MET A 15 11.007 21.162 -4.749 1.00 0.11 C ATOM 227 O MET A 15 10.924 21.116 -3.522 1.00 45.01 O ATOM 228 CB MET A 15 11.868 19.007 -5.684 1.00 43.50 C ATOM 229 CG MET A 15 12.261 18.401 -4.347 1.00 3.24 C ATOM 230 SD MET A 15 12.361 16.602 -4.402 1.00 65.23 S ATOM 231 CE MET A 15 11.090 16.155 -3.222 1.00 44.20 C ATOM 0 H MET A 15 10.726 19.870 -7.694 1.00 61.14 H new ATOM 0 HA MET A 15 9.834 19.416 -5.128 1.00 13.20 H new ATOM 0 HB2 MET A 15 11.645 18.204 -6.386 1.00 43.50 H new ATOM 0 HB3 MET A 15 12.718 19.557 -6.088 1.00 43.50 H new ATOM 0 HG2 MET A 15 13.225 18.805 -4.039 1.00 3.24 H new ATOM 0 HG3 MET A 15 11.534 18.698 -3.591 1.00 3.24 H new ATOM 0 HE1 MET A 15 11.031 15.069 -3.145 1.00 44.20 H new ATOM 0 HE2 MET A 15 11.335 16.575 -2.247 1.00 44.20 H new ATOM 0 HE3 MET A 15 10.130 16.548 -3.555 1.00 44.20 H new ATOM 241 N GLU A 16 11.394 22.249 -5.409 1.00 0.32 N ATOM 242 CA GLU A 16 11.753 23.478 -4.711 1.00 13.40 C ATOM 243 C GLU A 16 10.621 23.934 -3.794 1.00 71.23 C ATOM 244 O GLU A 16 10.821 24.138 -2.596 1.00 41.53 O ATOM 245 CB GLU A 16 12.086 24.583 -5.716 1.00 14.21 C ATOM 246 CG GLU A 16 13.431 24.401 -6.398 1.00 22.53 C ATOM 247 CD GLU A 16 14.559 24.174 -5.410 1.00 65.33 C ATOM 248 OE1 GLU A 16 14.770 25.043 -4.539 1.00 42.12 O ATOM 249 OE2 GLU A 16 15.232 23.126 -5.509 1.00 74.31 O ATOM 0 H GLU A 16 11.467 22.304 -6.425 1.00 0.32 H new ATOM 0 HA GLU A 16 12.633 23.275 -4.100 1.00 13.40 H new ATOM 0 HB2 GLU A 16 11.305 24.619 -6.476 1.00 14.21 H new ATOM 0 HB3 GLU A 16 12.076 25.544 -5.203 1.00 14.21 H new ATOM 0 HG2 GLU A 16 13.376 23.554 -7.082 1.00 22.53 H new ATOM 0 HG3 GLU A 16 13.652 25.283 -7.000 1.00 22.53 H new ATOM 256 N LEU A 17 9.432 24.091 -4.366 1.00 30.04 N ATOM 257 CA LEU A 17 8.267 24.523 -3.601 1.00 71.32 C ATOM 258 C LEU A 17 7.610 23.341 -2.896 1.00 74.41 C ATOM 259 O LEU A 17 7.282 23.416 -1.711 1.00 72.13 O ATOM 260 CB LEU A 17 7.255 25.210 -4.520 1.00 63.34 C ATOM 261 CG LEU A 17 6.334 26.234 -3.857 1.00 53.05 C ATOM 262 CD1 LEU A 17 6.779 27.649 -4.194 1.00 32.23 C ATOM 263 CD2 LEU A 17 4.891 26.010 -4.287 1.00 41.43 C ATOM 0 H LEU A 17 9.249 23.926 -5.356 1.00 30.04 H new ATOM 0 HA LEU A 17 8.602 25.233 -2.845 1.00 71.32 H new ATOM 0 HB2 LEU A 17 7.801 25.708 -5.321 1.00 63.34 H new ATOM 0 HB3 LEU A 17 6.637 24.442 -4.985 1.00 63.34 H new ATOM 0 HG LEU A 17 6.395 26.104 -2.777 1.00 53.05 H new ATOM 0 HD11 LEU A 17 6.112 28.364 -3.713 1.00 32.23 H new ATOM 0 HD12 LEU A 17 7.797 27.805 -3.836 1.00 32.23 H new ATOM 0 HD13 LEU A 17 6.748 27.793 -5.274 1.00 32.23 H new ATOM 0 HD21 LEU A 17 4.249 26.748 -3.806 1.00 41.43 H new ATOM 0 HD22 LEU A 17 4.814 26.113 -5.369 1.00 41.43 H new ATOM 0 HD23 LEU A 17 4.575 25.009 -3.994 1.00 41.43 H new ATOM 275 N CYS A 18 7.422 22.250 -3.631 1.00 0.10 N ATOM 276 CA CYS A 18 6.805 21.051 -3.076 1.00 21.34 C ATOM 277 C CYS A 18 7.436 20.685 -1.736 1.00 41.20 C ATOM 278 O CYS A 18 6.748 20.252 -0.811 1.00 63.24 O ATOM 279 CB CYS A 18 6.942 19.882 -4.053 1.00 53.41 C ATOM 280 SG CYS A 18 6.395 18.293 -3.385 1.00 42.54 S ATOM 0 H CYS A 18 7.688 22.171 -4.613 1.00 0.10 H new ATOM 0 HA CYS A 18 5.747 21.259 -2.915 1.00 21.34 H new ATOM 0 HB2 CYS A 18 6.366 20.104 -4.951 1.00 53.41 H new ATOM 0 HB3 CYS A 18 7.985 19.797 -4.356 1.00 53.41 H new ATOM 0 HG CYS A 18 6.548 17.368 -4.285 1.00 42.54 H new ATOM 286 N PHE A 19 8.750 20.861 -1.639 1.00 53.40 N ATOM 287 CA PHE A 19 9.475 20.548 -0.413 1.00 73.42 C ATOM 288 C PHE A 19 8.854 21.262 0.784 1.00 71.12 C ATOM 289 O PHE A 19 8.708 20.682 1.860 1.00 43.10 O ATOM 290 CB PHE A 19 10.946 20.943 -0.551 1.00 4.25 C ATOM 291 CG PHE A 19 11.726 20.806 0.726 1.00 15.12 C ATOM 292 CD1 PHE A 19 11.631 19.655 1.491 1.00 35.31 C ATOM 293 CD2 PHE A 19 12.553 21.829 1.162 1.00 74.13 C ATOM 294 CE1 PHE A 19 12.346 19.525 2.666 1.00 5.14 C ATOM 295 CE2 PHE A 19 13.271 21.705 2.336 1.00 63.22 C ATOM 296 CZ PHE A 19 13.167 20.552 3.090 1.00 41.14 C ATOM 0 H PHE A 19 9.334 21.219 -2.395 1.00 53.40 H new ATOM 0 HA PHE A 19 9.409 19.473 -0.246 1.00 73.42 H new ATOM 0 HB2 PHE A 19 11.410 20.324 -1.319 1.00 4.25 H new ATOM 0 HB3 PHE A 19 11.006 21.976 -0.895 1.00 4.25 H new ATOM 0 HD1 PHE A 19 10.990 18.849 1.165 1.00 35.31 H new ATOM 0 HD2 PHE A 19 12.637 22.733 0.578 1.00 74.13 H new ATOM 0 HE1 PHE A 19 12.263 18.622 3.252 1.00 5.14 H new ATOM 0 HE2 PHE A 19 13.913 22.509 2.664 1.00 63.22 H new ATOM 0 HZ PHE A 19 13.726 20.454 4.009 1.00 41.14 H new ATOM 306 N VAL A 20 8.490 22.525 0.588 1.00 2.30 N ATOM 307 CA VAL A 20 7.885 23.320 1.650 1.00 34.10 C ATOM 308 C VAL A 20 6.428 22.926 1.869 1.00 41.24 C ATOM 309 O VAL A 20 5.961 22.841 3.005 1.00 45.41 O ATOM 310 CB VAL A 20 7.956 24.826 1.335 1.00 61.24 C ATOM 311 CG1 VAL A 20 7.192 25.627 2.378 1.00 72.24 C ATOM 312 CG2 VAL A 20 9.404 25.285 1.254 1.00 23.40 C ATOM 0 H VAL A 20 8.604 23.020 -0.297 1.00 2.30 H new ATOM 0 HA VAL A 20 8.454 23.120 2.558 1.00 34.10 H new ATOM 0 HB VAL A 20 7.489 24.999 0.366 1.00 61.24 H new ATOM 0 HG11 VAL A 20 7.254 26.689 2.138 1.00 72.24 H new ATOM 0 HG12 VAL A 20 6.147 25.316 2.382 1.00 72.24 H new ATOM 0 HG13 VAL A 20 7.627 25.451 3.362 1.00 72.24 H new ATOM 0 HG21 VAL A 20 9.436 26.351 1.031 1.00 23.40 H new ATOM 0 HG22 VAL A 20 9.899 25.099 2.207 1.00 23.40 H new ATOM 0 HG23 VAL A 20 9.917 24.734 0.466 1.00 23.40 H new ATOM 322 N ILE A 21 5.715 22.686 0.773 1.00 2.33 N ATOM 323 CA ILE A 21 4.312 22.300 0.846 1.00 74.35 C ATOM 324 C ILE A 21 4.145 20.969 1.572 1.00 55.40 C ATOM 325 O ILE A 21 3.138 20.739 2.242 1.00 31.31 O ATOM 326 CB ILE A 21 3.686 22.188 -0.557 1.00 74.02 C ATOM 327 CG1 ILE A 21 4.000 23.439 -1.381 1.00 35.33 C ATOM 328 CG2 ILE A 21 2.182 21.981 -0.451 1.00 61.42 C ATOM 329 CD1 ILE A 21 3.620 24.729 -0.688 1.00 44.03 C ATOM 0 H ILE A 21 6.086 22.752 -0.175 1.00 2.33 H new ATOM 0 HA ILE A 21 3.798 23.083 1.404 1.00 74.35 H new ATOM 0 HB ILE A 21 4.117 21.324 -1.063 1.00 74.02 H new ATOM 0 HG12 ILE A 21 5.066 23.458 -1.607 1.00 35.33 H new ATOM 0 HG13 ILE A 21 3.473 23.379 -2.333 1.00 35.33 H new ATOM 0 HG21 ILE A 21 1.754 21.904 -1.450 1.00 61.42 H new ATOM 0 HG22 ILE A 21 1.979 21.064 0.103 1.00 61.42 H new ATOM 0 HG23 ILE A 21 1.734 22.827 0.071 1.00 61.42 H new ATOM 0 HD11 ILE A 21 3.871 25.574 -1.329 1.00 44.03 H new ATOM 0 HD12 ILE A 21 2.549 24.732 -0.486 1.00 44.03 H new ATOM 0 HD13 ILE A 21 4.166 24.812 0.252 1.00 44.03 H new ATOM 341 N ARG A 22 5.139 20.098 1.436 1.00 53.14 N ATOM 342 CA ARG A 22 5.102 18.791 2.080 1.00 63.45 C ATOM 343 C ARG A 22 5.221 18.927 3.595 1.00 51.23 C ATOM 344 O ARG A 22 4.783 18.054 4.344 1.00 13.05 O ATOM 345 CB ARG A 22 6.230 17.905 1.547 1.00 70.41 C ATOM 346 CG ARG A 22 6.441 16.635 2.356 1.00 51.13 C ATOM 347 CD ARG A 22 7.512 15.751 1.736 1.00 75.13 C ATOM 348 NE ARG A 22 8.858 16.181 2.105 1.00 74.23 N ATOM 349 CZ ARG A 22 9.425 15.898 3.272 1.00 64.43 C ATOM 350 NH1 ARG A 22 8.768 15.188 4.178 1.00 75.21 N ATOM 351 NH2 ARG A 22 10.654 16.324 3.534 1.00 42.21 N ATOM 0 H ARG A 22 5.980 20.274 0.886 1.00 53.14 H new ATOM 0 HA ARG A 22 4.143 18.327 1.849 1.00 63.45 H new ATOM 0 HB2 ARG A 22 6.011 17.635 0.514 1.00 70.41 H new ATOM 0 HB3 ARG A 22 7.157 18.478 1.538 1.00 70.41 H new ATOM 0 HG2 ARG A 22 6.727 16.895 3.375 1.00 51.13 H new ATOM 0 HG3 ARG A 22 5.503 16.083 2.419 1.00 51.13 H new ATOM 0 HD2 ARG A 22 7.361 14.720 2.055 1.00 75.13 H new ATOM 0 HD3 ARG A 22 7.411 15.767 0.651 1.00 75.13 H new ATOM 0 HE ARG A 22 9.392 16.728 1.430 1.00 74.23 H new ATOM 0 HH11 ARG A 22 7.824 14.857 3.980 1.00 75.21 H new ATOM 0 HH12 ARG A 22 9.207 14.973 5.073 1.00 75.21 H new ATOM 0 HH21 ARG A 22 11.164 16.869 2.839 1.00 42.21 H new ATOM 0 HH22 ARG A 22 11.089 16.106 4.431 1.00 42.21 H new ATOM 365 N THR A 23 5.817 20.029 4.040 1.00 42.14 N ATOM 366 CA THR A 23 5.995 20.280 5.464 1.00 22.42 C ATOM 367 C THR A 23 4.678 20.674 6.122 1.00 51.41 C ATOM 368 O THR A 23 4.496 20.495 7.326 1.00 43.03 O ATOM 369 CB THR A 23 7.033 21.390 5.714 1.00 65.21 C ATOM 370 OG1 THR A 23 6.429 22.675 5.535 1.00 52.34 O ATOM 371 CG2 THR A 23 8.218 21.245 4.771 1.00 61.15 C ATOM 0 H THR A 23 6.185 20.762 3.434 1.00 42.14 H new ATOM 0 HA THR A 23 6.355 19.351 5.906 1.00 22.42 H new ATOM 0 HB THR A 23 7.391 21.297 6.739 1.00 65.21 H new ATOM 0 HG1 THR A 23 6.498 22.941 4.594 1.00 52.34 H new ATOM 0 HG21 THR A 23 8.938 22.040 4.966 1.00 61.15 H new ATOM 0 HG22 THR A 23 8.694 20.277 4.931 1.00 61.15 H new ATOM 0 HG23 THR A 23 7.873 21.314 3.739 1.00 61.15 H new ATOM 379 N MET A 24 3.761 21.212 5.324 1.00 42.11 N ATOM 380 CA MET A 24 2.459 21.630 5.830 1.00 51.44 C ATOM 381 C MET A 24 1.425 20.523 5.652 1.00 64.30 C ATOM 382 O MET A 24 0.747 20.136 6.603 1.00 22.41 O ATOM 383 CB MET A 24 1.993 22.899 5.112 1.00 32.32 C ATOM 384 CG MET A 24 2.919 24.087 5.315 1.00 70.20 C ATOM 385 SD MET A 24 2.834 24.756 6.987 1.00 2.20 S ATOM 386 CE MET A 24 1.193 25.473 6.982 1.00 34.30 C ATOM 0 H MET A 24 3.896 21.369 4.325 1.00 42.11 H new ATOM 0 HA MET A 24 2.561 21.839 6.895 1.00 51.44 H new ATOM 0 HB2 MET A 24 1.909 22.693 4.045 1.00 32.32 H new ATOM 0 HB3 MET A 24 0.996 23.161 5.466 1.00 32.32 H new ATOM 0 HG2 MET A 24 3.944 23.785 5.101 1.00 70.20 H new ATOM 0 HG3 MET A 24 2.662 24.870 4.601 1.00 70.20 H new ATOM 0 HE1 MET A 24 1.270 26.559 7.033 1.00 34.30 H new ATOM 0 HE2 MET A 24 0.675 25.189 6.066 1.00 34.30 H new ATOM 0 HE3 MET A 24 0.634 25.108 7.844 1.00 34.30 H new ATOM 536 N ILE A 33 -0.700 17.407 -2.656 1.00 44.40 N ATOM 537 CA ILE A 33 -0.450 18.403 -1.621 1.00 44.24 C ATOM 538 C ILE A 33 -1.203 19.697 -1.911 1.00 5.43 C ATOM 539 O ILE A 33 -1.234 20.167 -3.048 1.00 4.34 O ATOM 540 CB ILE A 33 1.053 18.715 -1.491 1.00 60.23 C ATOM 541 CG1 ILE A 33 1.885 17.589 -2.108 1.00 70.34 C ATOM 542 CG2 ILE A 33 1.427 18.918 -0.031 1.00 3.12 C ATOM 543 CD1 ILE A 33 3.376 17.770 -1.928 1.00 52.31 C ATOM 0 HA ILE A 33 -0.807 17.980 -0.682 1.00 44.24 H new ATOM 0 HB ILE A 33 1.266 19.637 -2.032 1.00 60.23 H new ATOM 0 HG12 ILE A 33 1.586 16.641 -1.661 1.00 70.34 H new ATOM 0 HG13 ILE A 33 1.661 17.524 -3.173 1.00 70.34 H new ATOM 0 HG21 ILE A 33 2.492 19.138 0.045 1.00 3.12 H new ATOM 0 HG22 ILE A 33 0.855 19.750 0.379 1.00 3.12 H new ATOM 0 HG23 ILE A 33 1.203 18.012 0.531 1.00 3.12 H new ATOM 0 HD11 ILE A 33 3.902 16.935 -2.390 1.00 52.31 H new ATOM 0 HD12 ILE A 33 3.689 18.702 -2.399 1.00 52.31 H new ATOM 0 HD13 ILE A 33 3.613 17.804 -0.865 1.00 52.31 H new ATOM 555 N GLN A 34 -1.806 20.269 -0.874 1.00 33.34 N ATOM 556 CA GLN A 34 -2.558 21.510 -1.017 1.00 32.33 C ATOM 557 C GLN A 34 -2.464 22.352 0.251 1.00 52.50 C ATOM 558 O GLN A 34 -2.525 21.828 1.363 1.00 13.43 O ATOM 559 CB GLN A 34 -4.024 21.209 -1.336 1.00 23.02 C ATOM 560 CG GLN A 34 -4.228 20.548 -2.689 1.00 54.45 C ATOM 561 CD GLN A 34 -4.298 19.037 -2.597 1.00 35.13 C ATOM 562 OE1 GLN A 34 -3.690 18.429 -1.716 1.00 23.41 O ATOM 563 NE2 GLN A 34 -5.044 18.421 -3.507 1.00 45.44 N ATOM 0 H GLN A 34 -1.789 19.893 0.074 1.00 33.34 H new ATOM 0 HA GLN A 34 -2.123 22.076 -1.841 1.00 32.33 H new ATOM 0 HB2 GLN A 34 -4.431 20.561 -0.559 1.00 23.02 H new ATOM 0 HB3 GLN A 34 -4.592 22.139 -1.306 1.00 23.02 H new ATOM 0 HG2 GLN A 34 -5.148 20.924 -3.137 1.00 54.45 H new ATOM 0 HG3 GLN A 34 -3.411 20.830 -3.353 1.00 54.45 H new ATOM 0 HE21 GLN A 34 -5.531 18.964 -4.220 1.00 45.44 H new ATOM 0 HE22 GLN A 34 -5.130 17.405 -3.493 1.00 45.44 H new ATOM 572 N VAL A 35 -2.315 23.662 0.076 1.00 64.43 N ATOM 573 CA VAL A 35 -2.213 24.578 1.206 1.00 63.55 C ATOM 574 C VAL A 35 -2.664 25.981 0.818 1.00 43.25 C ATOM 575 O VAL A 35 -2.554 26.383 -0.341 1.00 42.24 O ATOM 576 CB VAL A 35 -0.772 24.644 1.746 1.00 42.11 C ATOM 577 CG1 VAL A 35 -0.437 23.385 2.530 1.00 23.40 C ATOM 578 CG2 VAL A 35 0.215 24.851 0.607 1.00 51.23 C ATOM 0 H VAL A 35 -2.262 24.112 -0.838 1.00 64.43 H new ATOM 0 HA VAL A 35 -2.868 24.192 1.987 1.00 63.55 H new ATOM 0 HB VAL A 35 -0.695 25.495 2.422 1.00 42.11 H new ATOM 0 HG11 VAL A 35 0.585 23.450 2.903 1.00 23.40 H new ATOM 0 HG12 VAL A 35 -1.125 23.286 3.370 1.00 23.40 H new ATOM 0 HG13 VAL A 35 -0.531 22.515 1.879 1.00 23.40 H new ATOM 0 HG21 VAL A 35 1.228 24.895 1.007 1.00 51.23 H new ATOM 0 HG22 VAL A 35 0.138 24.022 -0.096 1.00 51.23 H new ATOM 0 HG23 VAL A 35 -0.013 25.785 0.093 1.00 51.23 H new ATOM 588 N THR A 36 -3.172 26.725 1.795 1.00 11.02 N ATOM 589 CA THR A 36 -3.641 28.084 1.557 1.00 43.23 C ATOM 590 C THR A 36 -2.489 29.081 1.618 1.00 55.50 C ATOM 591 O THR A 36 -1.477 28.837 2.274 1.00 31.45 O ATOM 592 CB THR A 36 -4.716 28.495 2.580 1.00 11.40 C ATOM 593 OG1 THR A 36 -4.322 28.089 3.895 1.00 4.02 O ATOM 594 CG2 THR A 36 -6.060 27.872 2.233 1.00 42.31 C ATOM 0 H THR A 36 -3.269 26.409 2.760 1.00 11.02 H new ATOM 0 HA THR A 36 -4.078 28.098 0.558 1.00 43.23 H new ATOM 0 HB THR A 36 -4.818 29.580 2.550 1.00 11.40 H new ATOM 0 HG1 THR A 36 -5.010 28.356 4.540 1.00 4.02 H new ATOM 0 HG21 THR A 36 -6.803 28.177 2.970 1.00 42.31 H new ATOM 0 HG22 THR A 36 -6.371 28.207 1.243 1.00 42.31 H new ATOM 0 HG23 THR A 36 -5.969 26.786 2.237 1.00 42.31 H new ATOM 602 N PHE A 37 -2.651 30.207 0.930 1.00 3.25 N ATOM 603 CA PHE A 37 -1.624 31.242 0.907 1.00 42.32 C ATOM 604 C PHE A 37 -1.198 31.618 2.323 1.00 43.21 C ATOM 605 O PHE A 37 -0.008 31.675 2.631 1.00 61.33 O ATOM 606 CB PHE A 37 -2.136 32.482 0.170 1.00 21.22 C ATOM 607 CG PHE A 37 -1.314 33.713 0.425 1.00 62.21 C ATOM 608 CD1 PHE A 37 0.069 33.664 0.360 1.00 23.15 C ATOM 609 CD2 PHE A 37 -1.924 34.919 0.729 1.00 33.24 C ATOM 610 CE1 PHE A 37 0.829 34.795 0.594 1.00 72.11 C ATOM 611 CE2 PHE A 37 -1.170 36.053 0.963 1.00 12.14 C ATOM 612 CZ PHE A 37 0.208 35.991 0.897 1.00 61.12 C ATOM 0 H PHE A 37 -3.483 30.426 0.382 1.00 3.25 H new ATOM 0 HA PHE A 37 -0.757 30.846 0.379 1.00 42.32 H new ATOM 0 HB2 PHE A 37 -2.149 32.279 -0.901 1.00 21.22 H new ATOM 0 HB3 PHE A 37 -3.166 32.674 0.470 1.00 21.22 H new ATOM 0 HD1 PHE A 37 0.559 32.731 0.124 1.00 23.15 H new ATOM 0 HD2 PHE A 37 -3.001 34.974 0.784 1.00 33.24 H new ATOM 0 HE1 PHE A 37 1.906 34.743 0.540 1.00 72.11 H new ATOM 0 HE2 PHE A 37 -1.658 36.987 1.197 1.00 12.14 H new ATOM 0 HZ PHE A 37 0.799 36.876 1.082 1.00 61.12 H new ATOM 622 N GLY A 38 -2.180 31.875 3.182 1.00 41.34 N ATOM 623 CA GLY A 38 -1.887 32.243 4.555 1.00 54.54 C ATOM 624 C GLY A 38 -0.953 31.260 5.232 1.00 14.40 C ATOM 625 O GLY A 38 0.011 31.660 5.884 1.00 33.20 O ATOM 0 H GLY A 38 -3.173 31.835 2.952 1.00 41.34 H new ATOM 0 HA2 GLY A 38 -1.439 33.237 4.574 1.00 54.54 H new ATOM 0 HA3 GLY A 38 -2.818 32.302 5.119 1.00 54.54 H new ATOM 629 N GLU A 39 -1.241 29.972 5.079 1.00 62.51 N ATOM 630 CA GLU A 39 -0.420 28.929 5.684 1.00 44.42 C ATOM 631 C GLU A 39 0.971 28.900 5.057 1.00 43.12 C ATOM 632 O GLU A 39 1.982 28.926 5.760 1.00 44.01 O ATOM 633 CB GLU A 39 -1.091 27.564 5.525 1.00 33.34 C ATOM 634 CG GLU A 39 -1.904 27.141 6.737 1.00 13.05 C ATOM 635 CD GLU A 39 -2.683 25.862 6.500 1.00 33.12 C ATOM 636 OE1 GLU A 39 -3.383 25.775 5.469 1.00 24.15 O ATOM 637 OE2 GLU A 39 -2.593 24.947 7.346 1.00 2.41 O ATOM 0 H GLU A 39 -2.036 29.625 4.542 1.00 62.51 H new ATOM 0 HA GLU A 39 -0.317 29.153 6.746 1.00 44.42 H new ATOM 0 HB2 GLU A 39 -1.742 27.588 4.651 1.00 33.34 H new ATOM 0 HB3 GLU A 39 -0.326 26.813 5.331 1.00 33.34 H new ATOM 0 HG2 GLU A 39 -1.236 27.003 7.587 1.00 13.05 H new ATOM 0 HG3 GLU A 39 -2.597 27.940 7.002 1.00 13.05 H new ATOM 644 N LEU A 40 1.015 28.845 3.730 1.00 14.43 N ATOM 645 CA LEU A 40 2.281 28.812 3.007 1.00 71.02 C ATOM 646 C LEU A 40 3.173 29.979 3.417 1.00 24.10 C ATOM 647 O LEU A 40 4.345 29.792 3.745 1.00 3.44 O ATOM 648 CB LEU A 40 2.030 28.852 1.498 1.00 3.53 C ATOM 649 CG LEU A 40 2.518 27.640 0.704 1.00 13.12 C ATOM 650 CD1 LEU A 40 2.143 27.778 -0.763 1.00 64.34 C ATOM 651 CD2 LEU A 40 4.022 27.471 0.859 1.00 20.42 C ATOM 0 H LEU A 40 0.188 28.822 3.133 1.00 14.43 H new ATOM 0 HA LEU A 40 2.792 27.883 3.260 1.00 71.02 H new ATOM 0 HB2 LEU A 40 0.959 28.963 1.331 1.00 3.53 H new ATOM 0 HB3 LEU A 40 2.510 29.743 1.094 1.00 3.53 H new ATOM 0 HG LEU A 40 2.030 26.749 1.100 1.00 13.12 H new ATOM 0 HD11 LEU A 40 2.498 26.906 -1.313 1.00 64.34 H new ATOM 0 HD12 LEU A 40 1.059 27.849 -0.856 1.00 64.34 H new ATOM 0 HD13 LEU A 40 2.602 28.678 -1.173 1.00 64.34 H new ATOM 0 HD21 LEU A 40 4.352 26.604 0.287 1.00 20.42 H new ATOM 0 HD22 LEU A 40 4.528 28.363 0.490 1.00 20.42 H new ATOM 0 HD23 LEU A 40 4.265 27.325 1.911 1.00 20.42 H new ATOM 663 N PHE A 41 2.611 31.183 3.398 1.00 73.40 N ATOM 664 CA PHE A 41 3.355 32.380 3.769 1.00 11.52 C ATOM 665 C PHE A 41 3.859 32.284 5.206 1.00 0.02 C ATOM 666 O PHE A 41 5.043 32.487 5.475 1.00 42.01 O ATOM 667 CB PHE A 41 2.477 33.623 3.607 1.00 32.11 C ATOM 668 CG PHE A 41 3.257 34.906 3.555 1.00 34.43 C ATOM 669 CD1 PHE A 41 3.810 35.348 2.365 1.00 64.53 C ATOM 670 CD2 PHE A 41 3.436 35.669 4.698 1.00 44.04 C ATOM 671 CE1 PHE A 41 4.528 36.528 2.313 1.00 23.45 C ATOM 672 CE2 PHE A 41 4.153 36.850 4.652 1.00 12.04 C ATOM 673 CZ PHE A 41 4.701 37.279 3.459 1.00 15.22 C ATOM 0 H PHE A 41 1.642 31.355 3.129 1.00 73.40 H new ATOM 0 HA PHE A 41 4.216 32.462 3.105 1.00 11.52 H new ATOM 0 HB2 PHE A 41 1.890 33.527 2.694 1.00 32.11 H new ATOM 0 HB3 PHE A 41 1.771 33.670 4.436 1.00 32.11 H new ATOM 0 HD1 PHE A 41 3.679 34.764 1.466 1.00 64.53 H new ATOM 0 HD2 PHE A 41 3.011 35.338 5.634 1.00 44.04 H new ATOM 0 HE1 PHE A 41 4.953 36.862 1.378 1.00 23.45 H new ATOM 0 HE2 PHE A 41 4.285 37.437 5.549 1.00 12.04 H new ATOM 0 HZ PHE A 41 5.264 38.200 3.422 1.00 15.22 H new ATOM 683 N ASP A 42 2.952 31.974 6.125 1.00 34.43 N ATOM 684 CA ASP A 42 3.303 31.850 7.535 1.00 31.43 C ATOM 685 C ASP A 42 4.383 30.791 7.735 1.00 31.10 C ATOM 686 O ASP A 42 5.051 30.759 8.769 1.00 42.25 O ATOM 687 CB ASP A 42 2.066 31.496 8.362 1.00 74.01 C ATOM 688 CG ASP A 42 1.504 32.692 9.105 1.00 44.41 C ATOM 689 OD1 ASP A 42 1.467 33.792 8.515 1.00 12.32 O ATOM 690 OD2 ASP A 42 1.104 32.529 10.277 1.00 53.14 O ATOM 0 H ASP A 42 1.968 31.804 5.919 1.00 34.43 H new ATOM 0 HA ASP A 42 3.693 32.810 7.872 1.00 31.43 H new ATOM 0 HB2 ASP A 42 1.298 31.087 7.705 1.00 74.01 H new ATOM 0 HB3 ASP A 42 2.323 30.715 9.078 1.00 74.01 H new ATOM 695 N ARG A 43 4.547 29.925 6.740 1.00 43.51 N ATOM 696 CA ARG A 43 5.544 28.864 6.807 1.00 24.05 C ATOM 697 C ARG A 43 6.847 29.298 6.142 1.00 51.41 C ATOM 698 O ARG A 43 7.935 28.922 6.579 1.00 12.50 O ATOM 699 CB ARG A 43 5.015 27.595 6.137 1.00 23.32 C ATOM 700 CG ARG A 43 6.090 26.553 5.872 1.00 73.11 C ATOM 701 CD ARG A 43 6.800 26.147 7.154 1.00 63.35 C ATOM 702 NE ARG A 43 7.918 25.242 6.897 1.00 50.44 N ATOM 703 CZ ARG A 43 8.484 24.490 7.833 1.00 24.51 C ATOM 704 NH1 ARG A 43 8.040 24.532 9.081 1.00 13.24 N ATOM 705 NH2 ARG A 43 9.498 23.691 7.521 1.00 14.44 N ATOM 0 H ARG A 43 4.002 29.938 5.878 1.00 43.51 H new ATOM 0 HA ARG A 43 5.745 28.655 7.858 1.00 24.05 H new ATOM 0 HB2 ARG A 43 4.243 27.156 6.769 1.00 23.32 H new ATOM 0 HB3 ARG A 43 4.540 27.863 5.193 1.00 23.32 H new ATOM 0 HG2 ARG A 43 5.640 25.674 5.410 1.00 73.11 H new ATOM 0 HG3 ARG A 43 6.816 26.950 5.163 1.00 73.11 H new ATOM 0 HD2 ARG A 43 7.165 27.038 7.664 1.00 63.35 H new ATOM 0 HD3 ARG A 43 6.089 25.664 7.825 1.00 63.35 H new ATOM 0 HE ARG A 43 8.283 25.185 5.946 1.00 50.44 H new ATOM 0 HH11 ARG A 43 7.261 25.144 9.325 1.00 13.24 H new ATOM 0 HH12 ARG A 43 8.477 23.953 9.798 1.00 13.24 H new ATOM 0 HH21 ARG A 43 9.842 23.655 6.562 1.00 14.44 H new ATOM 0 HH22 ARG A 43 9.932 23.113 8.241 1.00 14.44 H new ATOM 719 N TYR A 44 6.728 30.091 5.083 1.00 41.23 N ATOM 720 CA TYR A 44 7.895 30.574 4.355 1.00 44.32 C ATOM 721 C TYR A 44 8.553 31.738 5.090 1.00 12.14 C ATOM 722 O TYR A 44 9.751 31.981 4.947 1.00 2.02 O ATOM 723 CB TYR A 44 7.499 31.008 2.943 1.00 75.13 C ATOM 724 CG TYR A 44 7.992 30.073 1.861 1.00 14.23 C ATOM 725 CD1 TYR A 44 7.233 28.979 1.463 1.00 43.01 C ATOM 726 CD2 TYR A 44 9.216 30.283 1.239 1.00 54.33 C ATOM 727 CE1 TYR A 44 7.680 28.122 0.476 1.00 72.22 C ATOM 728 CE2 TYR A 44 9.669 29.432 0.250 1.00 44.33 C ATOM 729 CZ TYR A 44 8.898 28.353 -0.128 1.00 62.11 C ATOM 730 OH TYR A 44 9.347 27.502 -1.112 1.00 4.02 O ATOM 0 H TYR A 44 5.835 30.413 4.710 1.00 41.23 H new ATOM 0 HA TYR A 44 8.613 29.757 4.289 1.00 44.32 H new ATOM 0 HB2 TYR A 44 6.413 31.077 2.884 1.00 75.13 H new ATOM 0 HB3 TYR A 44 7.893 32.007 2.755 1.00 75.13 H new ATOM 0 HD1 TYR A 44 6.278 28.796 1.933 1.00 43.01 H new ATOM 0 HD2 TYR A 44 9.824 31.126 1.534 1.00 54.33 H new ATOM 0 HE1 TYR A 44 7.079 27.275 0.179 1.00 72.22 H new ATOM 0 HE2 TYR A 44 10.622 29.611 -0.225 1.00 44.33 H new ATOM 0 HH TYR A 44 10.221 27.807 -1.434 1.00 4.02 H new ATOM 740 N VAL A 45 7.759 32.455 5.879 1.00 11.14 N ATOM 741 CA VAL A 45 8.262 33.593 6.640 1.00 60.21 C ATOM 742 C VAL A 45 9.426 33.184 7.536 1.00 72.44 C ATOM 743 O VAL A 45 10.294 33.997 7.853 1.00 32.13 O ATOM 744 CB VAL A 45 7.156 34.221 7.509 1.00 71.43 C ATOM 745 CG1 VAL A 45 6.081 34.848 6.634 1.00 61.30 C ATOM 746 CG2 VAL A 45 6.556 33.179 8.441 1.00 52.10 C ATOM 0 H VAL A 45 6.765 32.268 6.008 1.00 11.14 H new ATOM 0 HA VAL A 45 8.607 34.330 5.915 1.00 60.21 H new ATOM 0 HB VAL A 45 7.599 35.008 8.118 1.00 71.43 H new ATOM 0 HG11 VAL A 45 5.308 35.287 7.265 1.00 61.30 H new ATOM 0 HG12 VAL A 45 6.526 35.625 6.012 1.00 61.30 H new ATOM 0 HG13 VAL A 45 5.638 34.082 5.997 1.00 61.30 H new ATOM 0 HG21 VAL A 45 5.776 33.639 9.048 1.00 52.10 H new ATOM 0 HG22 VAL A 45 6.126 32.368 7.852 1.00 52.10 H new ATOM 0 HG23 VAL A 45 7.335 32.781 9.092 1.00 52.10 H new ATOM 756 N ARG A 46 9.438 31.918 7.940 1.00 73.55 N ATOM 757 CA ARG A 46 10.495 31.400 8.800 1.00 71.13 C ATOM 758 C ARG A 46 11.646 30.840 7.969 1.00 30.43 C ATOM 759 O ARG A 46 12.542 30.180 8.498 1.00 74.14 O ATOM 760 CB ARG A 46 9.943 30.313 9.725 1.00 41.45 C ATOM 761 CG ARG A 46 9.838 30.746 11.178 1.00 55.43 C ATOM 762 CD ARG A 46 9.234 29.651 12.043 1.00 41.11 C ATOM 763 NE ARG A 46 9.167 30.039 13.449 1.00 24.13 N ATOM 764 CZ ARG A 46 8.809 29.210 14.424 1.00 45.31 C ATOM 765 NH1 ARG A 46 8.488 27.954 14.146 1.00 0.42 N ATOM 766 NH2 ARG A 46 8.773 29.638 15.680 1.00 61.53 N ATOM 0 H ARG A 46 8.727 31.232 7.685 1.00 73.55 H new ATOM 0 HA ARG A 46 10.873 32.224 9.405 1.00 71.13 H new ATOM 0 HB2 ARG A 46 8.956 30.014 9.372 1.00 41.45 H new ATOM 0 HB3 ARG A 46 10.584 29.434 9.662 1.00 41.45 H new ATOM 0 HG2 ARG A 46 10.828 31.004 11.554 1.00 55.43 H new ATOM 0 HG3 ARG A 46 9.226 31.645 11.248 1.00 55.43 H new ATOM 0 HD2 ARG A 46 8.232 29.416 11.684 1.00 41.11 H new ATOM 0 HD3 ARG A 46 9.829 28.743 11.946 1.00 41.11 H new ATOM 0 HE ARG A 46 9.408 30.999 13.696 1.00 24.13 H new ATOM 0 HH11 ARG A 46 8.516 27.622 13.182 1.00 0.42 H new ATOM 0 HH12 ARG A 46 8.214 27.320 14.896 1.00 0.42 H new ATOM 0 HH21 ARG A 46 9.020 30.604 15.897 1.00 61.53 H new ATOM 0 HH22 ARG A 46 8.498 29.001 16.428 1.00 61.53 H new ATOM 780 N ILE A 47 11.615 31.106 6.668 1.00 14.51 N ATOM 781 CA ILE A 47 12.655 30.630 5.766 1.00 61.53 C ATOM 782 C ILE A 47 13.157 31.752 4.864 1.00 65.12 C ATOM 783 O ILE A 47 14.278 32.236 5.023 1.00 20.31 O ATOM 784 CB ILE A 47 12.151 29.468 4.889 1.00 51.23 C ATOM 785 CG1 ILE A 47 11.699 28.298 5.765 1.00 64.34 C ATOM 786 CG2 ILE A 47 13.238 29.024 3.921 1.00 12.52 C ATOM 787 CD1 ILE A 47 10.733 27.362 5.072 1.00 1.40 C ATOM 0 H ILE A 47 10.880 31.649 6.215 1.00 14.51 H new ATOM 0 HA ILE A 47 13.475 30.275 6.390 1.00 61.53 H new ATOM 0 HB ILE A 47 11.296 29.815 4.309 1.00 51.23 H new ATOM 0 HG12 ILE A 47 12.575 27.733 6.083 1.00 64.34 H new ATOM 0 HG13 ILE A 47 11.229 28.690 6.667 1.00 64.34 H new ATOM 0 HG21 ILE A 47 12.866 28.202 3.309 1.00 12.52 H new ATOM 0 HG22 ILE A 47 13.516 29.859 3.278 1.00 12.52 H new ATOM 0 HG23 ILE A 47 14.111 28.692 4.482 1.00 12.52 H new ATOM 0 HD11 ILE A 47 10.455 26.557 5.752 1.00 1.40 H new ATOM 0 HD12 ILE A 47 9.840 27.913 4.778 1.00 1.40 H new ATOM 0 HD13 ILE A 47 11.207 26.941 4.185 1.00 1.40 H new ATOM 799 N SER A 48 12.320 32.163 3.917 1.00 32.40 N ATOM 800 CA SER A 48 12.679 33.227 2.988 1.00 42.33 C ATOM 801 C SER A 48 11.637 34.341 3.009 1.00 42.54 C ATOM 802 O SER A 48 11.964 35.516 2.835 1.00 22.41 O ATOM 803 CB SER A 48 12.818 32.670 1.570 1.00 42.03 C ATOM 804 OG SER A 48 13.910 33.267 0.892 1.00 63.30 O ATOM 0 H SER A 48 11.388 31.775 3.773 1.00 32.40 H new ATOM 0 HA SER A 48 13.636 33.642 3.303 1.00 42.33 H new ATOM 0 HB2 SER A 48 12.959 31.590 1.612 1.00 42.03 H new ATOM 0 HB3 SER A 48 11.898 32.850 1.014 1.00 42.03 H new ATOM 0 HG SER A 48 14.088 32.776 0.063 1.00 63.30 H new ATOM 810 N ASP A 49 10.382 33.964 3.222 1.00 15.22 N ATOM 811 CA ASP A 49 9.290 34.930 3.267 1.00 0.42 C ATOM 812 C ASP A 49 9.035 35.527 1.886 1.00 32.54 C ATOM 813 O ASP A 49 9.209 36.727 1.674 1.00 21.24 O ATOM 814 CB ASP A 49 9.607 36.044 4.267 1.00 61.05 C ATOM 815 CG ASP A 49 8.364 36.778 4.729 1.00 51.20 C ATOM 816 OD1 ASP A 49 7.249 36.308 4.422 1.00 71.32 O ATOM 817 OD2 ASP A 49 8.506 37.824 5.397 1.00 20.23 O ATOM 0 H ASP A 49 10.095 32.996 3.366 1.00 15.22 H new ATOM 0 HA ASP A 49 8.389 34.408 3.589 1.00 0.42 H new ATOM 0 HB2 ASP A 49 10.116 35.618 5.131 1.00 61.05 H new ATOM 0 HB3 ASP A 49 10.296 36.754 3.809 1.00 61.05 H new ATOM 822 N LYS A 50 8.622 34.680 0.949 1.00 12.03 N ATOM 823 CA LYS A 50 8.342 35.122 -0.412 1.00 30.42 C ATOM 824 C LYS A 50 7.772 33.980 -1.248 1.00 1.21 C ATOM 825 O LYS A 50 8.082 33.850 -2.432 1.00 52.23 O ATOM 826 CB LYS A 50 9.615 35.661 -1.067 1.00 5.32 C ATOM 827 CG LYS A 50 10.652 34.589 -1.355 1.00 43.51 C ATOM 828 CD LYS A 50 11.961 34.872 -0.637 1.00 0.04 C ATOM 829 CE LYS A 50 12.564 36.197 -1.077 1.00 50.12 C ATOM 830 NZ LYS A 50 13.994 36.053 -1.469 1.00 15.24 N ATOM 0 H LYS A 50 8.474 33.683 1.107 1.00 12.03 H new ATOM 0 HA LYS A 50 7.600 35.919 -0.363 1.00 30.42 H new ATOM 0 HB2 LYS A 50 9.351 36.159 -2.000 1.00 5.32 H new ATOM 0 HB3 LYS A 50 10.056 36.416 -0.417 1.00 5.32 H new ATOM 0 HG2 LYS A 50 10.268 33.617 -1.044 1.00 43.51 H new ATOM 0 HG3 LYS A 50 10.830 34.533 -2.429 1.00 43.51 H new ATOM 0 HD2 LYS A 50 11.790 34.889 0.439 1.00 0.04 H new ATOM 0 HD3 LYS A 50 12.667 34.066 -0.835 1.00 0.04 H new ATOM 0 HE2 LYS A 50 11.995 36.593 -1.918 1.00 50.12 H new ATOM 0 HE3 LYS A 50 12.481 36.921 -0.266 1.00 50.12 H new ATOM 0 HZ1 LYS A 50 14.368 36.978 -1.762 1.00 15.24 H new ATOM 0 HZ2 LYS A 50 14.542 35.699 -0.659 1.00 15.24 H new ATOM 0 HZ3 LYS A 50 14.071 35.382 -2.260 1.00 15.24 H new ATOM 844 N VAL A 51 6.937 33.156 -0.624 1.00 75.43 N ATOM 845 CA VAL A 51 6.321 32.027 -1.312 1.00 23.33 C ATOM 846 C VAL A 51 5.613 32.478 -2.584 1.00 72.20 C ATOM 847 O VAL A 51 5.756 31.861 -3.640 1.00 23.24 O ATOM 848 CB VAL A 51 5.311 31.300 -0.404 1.00 54.15 C ATOM 849 CG1 VAL A 51 4.296 32.283 0.159 1.00 1.23 C ATOM 850 CG2 VAL A 51 4.616 30.184 -1.169 1.00 74.30 C ATOM 0 H VAL A 51 6.671 33.249 0.356 1.00 75.43 H new ATOM 0 HA VAL A 51 7.125 31.338 -1.573 1.00 23.33 H new ATOM 0 HB VAL A 51 5.853 30.855 0.431 1.00 54.15 H new ATOM 0 HG11 VAL A 51 3.591 31.752 0.798 1.00 1.23 H new ATOM 0 HG12 VAL A 51 4.812 33.045 0.743 1.00 1.23 H new ATOM 0 HG13 VAL A 51 3.757 32.758 -0.660 1.00 1.23 H new ATOM 0 HG21 VAL A 51 3.906 29.681 -0.513 1.00 74.30 H new ATOM 0 HG22 VAL A 51 4.086 30.604 -2.024 1.00 74.30 H new ATOM 0 HG23 VAL A 51 5.358 29.466 -1.519 1.00 74.30 H new ATOM 860 N VAL A 52 4.847 33.559 -2.477 1.00 2.22 N ATOM 861 CA VAL A 52 4.117 34.095 -3.619 1.00 53.02 C ATOM 862 C VAL A 52 5.055 34.383 -4.786 1.00 22.04 C ATOM 863 O VAL A 52 4.689 34.212 -5.948 1.00 10.04 O ATOM 864 CB VAL A 52 3.365 35.387 -3.249 1.00 13.14 C ATOM 865 CG1 VAL A 52 2.767 36.032 -4.490 1.00 34.32 C ATOM 866 CG2 VAL A 52 2.286 35.098 -2.216 1.00 21.33 C ATOM 0 H VAL A 52 4.716 34.081 -1.610 1.00 2.22 H new ATOM 0 HA VAL A 52 3.394 33.335 -3.916 1.00 53.02 H new ATOM 0 HB VAL A 52 4.076 36.088 -2.812 1.00 13.14 H new ATOM 0 HG11 VAL A 52 2.240 36.943 -4.208 1.00 34.32 H new ATOM 0 HG12 VAL A 52 3.564 36.276 -5.193 1.00 34.32 H new ATOM 0 HG13 VAL A 52 2.069 35.339 -4.959 1.00 34.32 H new ATOM 0 HG21 VAL A 52 1.765 36.022 -1.966 1.00 21.33 H new ATOM 0 HG22 VAL A 52 1.575 34.379 -2.624 1.00 21.33 H new ATOM 0 HG23 VAL A 52 2.744 34.685 -1.317 1.00 21.33 H new ATOM 876 N GLY A 53 6.270 34.821 -4.467 1.00 55.20 N ATOM 877 CA GLY A 53 7.243 35.126 -5.499 1.00 72.35 C ATOM 878 C GLY A 53 7.770 33.881 -6.185 1.00 20.43 C ATOM 879 O GLY A 53 8.102 33.910 -7.370 1.00 42.10 O ATOM 0 H GLY A 53 6.597 34.970 -3.512 1.00 55.20 H new ATOM 0 HA2 GLY A 53 6.787 35.781 -6.242 1.00 72.35 H new ATOM 0 HA3 GLY A 53 8.076 35.674 -5.058 1.00 72.35 H new ATOM 883 N ILE A 54 7.849 32.785 -5.438 1.00 34.42 N ATOM 884 CA ILE A 54 8.340 31.524 -5.981 1.00 10.31 C ATOM 885 C ILE A 54 7.280 30.847 -6.844 1.00 5.33 C ATOM 886 O ILE A 54 7.597 30.212 -7.850 1.00 51.05 O ATOM 887 CB ILE A 54 8.768 30.558 -4.861 1.00 65.31 C ATOM 888 CG1 ILE A 54 9.858 31.195 -3.997 1.00 24.12 C ATOM 889 CG2 ILE A 54 9.255 29.244 -5.453 1.00 63.53 C ATOM 890 CD1 ILE A 54 9.647 30.995 -2.512 1.00 75.04 C ATOM 0 H ILE A 54 7.579 32.745 -4.455 1.00 34.42 H new ATOM 0 HA ILE A 54 9.208 31.762 -6.596 1.00 10.31 H new ATOM 0 HB ILE A 54 7.904 30.352 -4.229 1.00 65.31 H new ATOM 0 HG12 ILE A 54 10.824 30.776 -4.278 1.00 24.12 H new ATOM 0 HG13 ILE A 54 9.900 32.263 -4.209 1.00 24.12 H new ATOM 0 HG21 ILE A 54 9.554 28.571 -4.649 1.00 63.53 H new ATOM 0 HG22 ILE A 54 8.452 28.785 -6.030 1.00 63.53 H new ATOM 0 HG23 ILE A 54 10.108 29.433 -6.105 1.00 63.53 H new ATOM 0 HD11 ILE A 54 10.457 31.473 -1.962 1.00 75.04 H new ATOM 0 HD12 ILE A 54 8.696 31.439 -2.216 1.00 75.04 H new ATOM 0 HD13 ILE A 54 9.635 29.929 -2.287 1.00 75.04 H new ATOM 902 N LEU A 55 6.021 30.988 -6.444 1.00 45.51 N ATOM 903 CA LEU A 55 4.913 30.392 -7.182 1.00 2.12 C ATOM 904 C LEU A 55 4.978 30.767 -8.659 1.00 31.01 C ATOM 905 O LEU A 55 4.557 29.999 -9.523 1.00 60.33 O ATOM 906 CB LEU A 55 3.578 30.843 -6.588 1.00 12.15 C ATOM 907 CG LEU A 55 3.268 30.342 -5.177 1.00 34.24 C ATOM 908 CD1 LEU A 55 1.858 30.739 -4.767 1.00 72.20 C ATOM 909 CD2 LEU A 55 3.443 28.832 -5.096 1.00 41.33 C ATOM 0 H LEU A 55 5.742 31.510 -5.613 1.00 45.51 H new ATOM 0 HA LEU A 55 4.994 29.308 -7.098 1.00 2.12 H new ATOM 0 HB2 LEU A 55 3.557 31.933 -6.578 1.00 12.15 H new ATOM 0 HB3 LEU A 55 2.778 30.515 -7.252 1.00 12.15 H new ATOM 0 HG LEU A 55 3.970 30.807 -4.485 1.00 34.24 H new ATOM 0 HD11 LEU A 55 1.655 30.374 -3.760 1.00 72.20 H new ATOM 0 HD12 LEU A 55 1.766 31.825 -4.784 1.00 72.20 H new ATOM 0 HD13 LEU A 55 1.141 30.303 -5.462 1.00 72.20 H new ATOM 0 HD21 LEU A 55 3.218 28.493 -4.085 1.00 41.33 H new ATOM 0 HD22 LEU A 55 2.765 28.349 -5.800 1.00 41.33 H new ATOM 0 HD23 LEU A 55 4.471 28.571 -5.346 1.00 41.33 H new ATOM 921 N MET A 56 5.510 31.952 -8.941 1.00 32.14 N ATOM 922 CA MET A 56 5.633 32.427 -10.314 1.00 31.21 C ATOM 923 C MET A 56 6.462 31.459 -11.152 1.00 22.23 C ATOM 924 O MET A 56 6.213 31.285 -12.345 1.00 34.13 O ATOM 925 CB MET A 56 6.270 33.817 -10.340 1.00 43.41 C ATOM 926 CG MET A 56 5.472 34.866 -9.582 1.00 42.03 C ATOM 927 SD MET A 56 5.592 36.503 -10.329 1.00 15.03 S ATOM 928 CE MET A 56 6.666 37.331 -9.159 1.00 61.12 C ATOM 0 H MET A 56 5.863 32.600 -8.237 1.00 32.14 H new ATOM 0 HA MET A 56 4.633 32.486 -10.743 1.00 31.21 H new ATOM 0 HB2 MET A 56 7.272 33.757 -9.914 1.00 43.41 H new ATOM 0 HB3 MET A 56 6.383 34.137 -11.376 1.00 43.41 H new ATOM 0 HG2 MET A 56 4.425 34.564 -9.544 1.00 42.03 H new ATOM 0 HG3 MET A 56 5.827 34.914 -8.553 1.00 42.03 H new ATOM 0 HE1 MET A 56 6.835 38.358 -9.484 1.00 61.12 H new ATOM 0 HE2 MET A 56 6.198 37.334 -8.175 1.00 61.12 H new ATOM 0 HE3 MET A 56 7.619 36.806 -9.105 1.00 61.12 H new ATOM 938 N ARG A 57 7.449 30.832 -10.520 1.00 31.32 N ATOM 939 CA ARG A 57 8.316 29.883 -11.208 1.00 35.40 C ATOM 940 C ARG A 57 7.588 28.565 -11.458 1.00 61.23 C ATOM 941 O ARG A 57 7.668 27.998 -12.547 1.00 72.44 O ATOM 942 CB ARG A 57 9.583 29.630 -10.389 1.00 40.34 C ATOM 943 CG ARG A 57 10.433 28.487 -10.920 1.00 1.43 C ATOM 944 CD ARG A 57 11.636 28.227 -10.027 1.00 45.40 C ATOM 945 NE ARG A 57 12.383 29.451 -9.744 1.00 74.52 N ATOM 946 CZ ARG A 57 13.211 30.023 -10.611 1.00 11.14 C ATOM 947 NH1 ARG A 57 13.398 29.486 -11.808 1.00 54.13 N ATOM 948 NH2 ARG A 57 13.854 31.136 -10.280 1.00 20.44 N ATOM 0 H ARG A 57 7.668 30.964 -9.533 1.00 31.32 H new ATOM 0 HA ARG A 57 8.594 30.314 -12.170 1.00 35.40 H new ATOM 0 HB2 ARG A 57 10.183 30.540 -10.372 1.00 40.34 H new ATOM 0 HB3 ARG A 57 9.302 29.414 -9.358 1.00 40.34 H new ATOM 0 HG2 ARG A 57 9.828 27.583 -10.989 1.00 1.43 H new ATOM 0 HG3 ARG A 57 10.771 28.722 -11.929 1.00 1.43 H new ATOM 0 HD2 ARG A 57 11.302 27.781 -9.090 1.00 45.40 H new ATOM 0 HD3 ARG A 57 12.294 27.503 -10.508 1.00 45.40 H new ATOM 0 HE ARG A 57 12.262 29.890 -8.831 1.00 74.52 H new ATOM 0 HH11 ARG A 57 12.905 28.631 -12.066 1.00 54.13 H new ATOM 0 HH12 ARG A 57 14.034 29.928 -12.471 1.00 54.13 H new ATOM 0 HH21 ARG A 57 13.712 31.552 -9.360 1.00 20.44 H new ATOM 0 HH22 ARG A 57 14.490 31.575 -10.946 1.00 20.44 H new ATOM 962 N ALA A 58 6.880 28.084 -10.442 1.00 32.40 N ATOM 963 CA ALA A 58 6.137 26.834 -10.552 1.00 43.11 C ATOM 964 C ALA A 58 4.994 26.962 -11.553 1.00 35.54 C ATOM 965 O ALA A 58 4.638 25.997 -12.229 1.00 61.45 O ATOM 966 CB ALA A 58 5.605 26.414 -9.190 1.00 2.42 C ATOM 0 H ALA A 58 6.805 28.541 -9.533 1.00 32.40 H new ATOM 0 HA ALA A 58 6.819 26.065 -10.915 1.00 43.11 H new ATOM 0 HB1 ALA A 58 5.053 25.479 -9.288 1.00 2.42 H new ATOM 0 HB2 ALA A 58 6.438 26.273 -8.502 1.00 2.42 H new ATOM 0 HB3 ALA A 58 4.942 27.188 -8.804 1.00 2.42 H new ATOM 972 N ARG A 59 4.421 28.157 -11.640 1.00 53.52 N ATOM 973 CA ARG A 59 3.315 28.410 -12.557 1.00 25.11 C ATOM 974 C ARG A 59 3.768 28.265 -14.007 1.00 32.31 C ATOM 975 O ARG A 59 2.973 27.934 -14.887 1.00 32.43 O ATOM 976 CB ARG A 59 2.744 29.810 -12.327 1.00 43.44 C ATOM 977 CG ARG A 59 1.337 29.991 -12.872 1.00 33.22 C ATOM 978 CD ARG A 59 0.811 31.393 -12.604 1.00 64.44 C ATOM 979 NE ARG A 59 0.907 32.247 -13.785 1.00 2.44 N ATOM 980 CZ ARG A 59 0.054 32.195 -14.801 1.00 15.40 C ATOM 981 NH1 ARG A 59 -0.955 31.334 -14.781 1.00 5.40 N ATOM 982 NH2 ARG A 59 0.207 33.006 -15.840 1.00 50.30 N ATOM 0 H ARG A 59 4.704 28.966 -11.087 1.00 53.52 H new ATOM 0 HA ARG A 59 2.537 27.672 -12.362 1.00 25.11 H new ATOM 0 HB2 ARG A 59 2.740 30.020 -11.257 1.00 43.44 H new ATOM 0 HB3 ARG A 59 3.402 30.543 -12.794 1.00 43.44 H new ATOM 0 HG2 ARG A 59 1.334 29.799 -13.945 1.00 33.22 H new ATOM 0 HG3 ARG A 59 0.672 29.258 -12.415 1.00 33.22 H new ATOM 0 HD2 ARG A 59 -0.229 31.335 -12.282 1.00 64.44 H new ATOM 0 HD3 ARG A 59 1.374 31.841 -11.785 1.00 64.44 H new ATOM 0 HE ARG A 59 1.672 32.921 -13.832 1.00 2.44 H new ATOM 0 HH11 ARG A 59 -1.077 30.710 -13.984 1.00 5.40 H new ATOM 0 HH12 ARG A 59 -1.609 31.296 -15.563 1.00 5.40 H new ATOM 0 HH21 ARG A 59 0.981 33.670 -15.859 1.00 50.30 H new ATOM 0 HH22 ARG A 59 -0.449 32.965 -16.620 1.00 50.30 H new ATOM 996 N LYS A 60 5.050 28.515 -14.249 1.00 40.21 N ATOM 997 CA LYS A 60 5.610 28.412 -15.591 1.00 50.24 C ATOM 998 C LYS A 60 5.274 27.063 -16.219 1.00 50.21 C ATOM 999 O LYS A 60 5.080 26.962 -17.431 1.00 13.21 O ATOM 1000 CB LYS A 60 7.128 28.603 -15.549 1.00 52.11 C ATOM 1001 CG LYS A 60 7.556 29.947 -14.987 1.00 4.33 C ATOM 1002 CD LYS A 60 7.851 30.946 -16.093 1.00 12.50 C ATOM 1003 CE LYS A 60 7.290 32.322 -15.765 1.00 62.14 C ATOM 1004 NZ LYS A 60 8.342 33.375 -15.811 1.00 23.23 N ATOM 0 H LYS A 60 5.721 28.791 -13.532 1.00 40.21 H new ATOM 0 HA LYS A 60 5.168 29.198 -16.203 1.00 50.24 H new ATOM 0 HB2 LYS A 60 7.569 27.809 -14.946 1.00 52.11 H new ATOM 0 HB3 LYS A 60 7.527 28.496 -16.558 1.00 52.11 H new ATOM 0 HG2 LYS A 60 6.770 30.339 -14.341 1.00 4.33 H new ATOM 0 HG3 LYS A 60 8.443 29.817 -14.367 1.00 4.33 H new ATOM 0 HD2 LYS A 60 8.928 31.017 -16.243 1.00 12.50 H new ATOM 0 HD3 LYS A 60 7.422 30.591 -17.030 1.00 12.50 H new ATOM 0 HE2 LYS A 60 6.498 32.569 -16.472 1.00 62.14 H new ATOM 0 HE3 LYS A 60 6.838 32.303 -14.773 1.00 62.14 H new ATOM 0 HZ1 LYS A 60 7.920 34.298 -15.582 1.00 23.23 H new ATOM 0 HZ2 LYS A 60 9.086 33.153 -15.119 1.00 23.23 H new ATOM 0 HZ3 LYS A 60 8.756 33.411 -16.764 1.00 23.23 H new ATOM 1018 N HIS A 61 5.206 26.029 -15.387 1.00 34.12 N ATOM 1019 CA HIS A 61 4.891 24.686 -15.861 1.00 35.13 C ATOM 1020 C HIS A 61 3.548 24.216 -15.309 1.00 0.02 C ATOM 1021 O HIS A 61 3.349 23.028 -15.060 1.00 65.30 O ATOM 1022 CB HIS A 61 5.993 23.707 -15.454 1.00 52.35 C ATOM 1023 CG HIS A 61 7.263 23.881 -16.229 1.00 2.04 C ATOM 1024 ND1 HIS A 61 8.503 23.546 -15.726 1.00 13.44 N ATOM 1025 CD2 HIS A 61 7.481 24.356 -17.477 1.00 61.12 C ATOM 1026 CE1 HIS A 61 9.428 23.810 -16.631 1.00 23.43 C ATOM 1027 NE2 HIS A 61 8.835 24.301 -17.703 1.00 55.41 N ATOM 0 H HIS A 61 5.365 26.095 -14.382 1.00 34.12 H new ATOM 0 HA HIS A 61 4.826 24.717 -16.949 1.00 35.13 H new ATOM 0 HB2 HIS A 61 6.205 23.832 -14.392 1.00 52.35 H new ATOM 0 HB3 HIS A 61 5.631 22.688 -15.589 1.00 52.35 H new ATOM 0 HD2 HIS A 61 6.730 24.712 -18.167 1.00 61.12 H new ATOM 0 HE1 HIS A 61 10.490 23.651 -16.514 1.00 23.43 H new ATOM 0 HE2 HIS A 61 9.305 24.592 -18.560 1.00 55.41 H new ATOM 1035 N GLY A 62 2.629 25.158 -15.119 1.00 10.11 N ATOM 1036 CA GLY A 62 1.318 24.821 -14.597 1.00 34.41 C ATOM 1037 C GLY A 62 1.394 24.007 -13.320 1.00 73.13 C ATOM 1038 O GLY A 62 1.019 22.833 -13.300 1.00 4.52 O ATOM 0 H GLY A 62 2.769 26.149 -15.317 1.00 10.11 H new ATOM 0 HA2 GLY A 62 0.759 25.737 -14.407 1.00 34.41 H new ATOM 0 HA3 GLY A 62 0.764 24.260 -15.349 1.00 34.41 H new ATOM 1042 N LEU A 63 1.881 24.629 -12.252 1.00 73.13 N ATOM 1043 CA LEU A 63 2.006 23.954 -10.965 1.00 45.20 C ATOM 1044 C LEU A 63 1.072 24.575 -9.931 1.00 70.44 C ATOM 1045 O LEU A 63 0.689 23.927 -8.957 1.00 22.20 O ATOM 1046 CB LEU A 63 3.452 24.024 -10.469 1.00 50.15 C ATOM 1047 CG LEU A 63 3.747 23.300 -9.155 1.00 53.32 C ATOM 1048 CD1 LEU A 63 3.378 24.177 -7.969 1.00 34.14 C ATOM 1049 CD2 LEU A 63 2.998 21.977 -9.096 1.00 25.50 C ATOM 0 H LEU A 63 2.196 25.599 -12.252 1.00 73.13 H new ATOM 0 HA LEU A 63 1.724 22.910 -11.101 1.00 45.20 H new ATOM 0 HB2 LEU A 63 4.100 23.611 -11.242 1.00 50.15 H new ATOM 0 HB3 LEU A 63 3.724 25.073 -10.352 1.00 50.15 H new ATOM 0 HG LEU A 63 4.816 23.092 -9.108 1.00 53.32 H new ATOM 0 HD11 LEU A 63 3.595 23.646 -7.042 1.00 34.14 H new ATOM 0 HD12 LEU A 63 3.959 25.099 -8.003 1.00 34.14 H new ATOM 0 HD13 LEU A 63 2.315 24.416 -8.010 1.00 34.14 H new ATOM 0 HD21 LEU A 63 3.220 21.475 -8.154 1.00 25.50 H new ATOM 0 HD22 LEU A 63 1.926 22.162 -9.165 1.00 25.50 H new ATOM 0 HD23 LEU A 63 3.311 21.344 -9.927 1.00 25.50 H new ATOM 1061 N VAL A 64 0.706 25.833 -10.152 1.00 3.42 N ATOM 1062 CA VAL A 64 -0.186 26.541 -9.242 1.00 34.24 C ATOM 1063 C VAL A 64 -1.510 26.875 -9.919 1.00 53.15 C ATOM 1064 O VAL A 64 -1.542 27.567 -10.938 1.00 24.02 O ATOM 1065 CB VAL A 64 0.456 27.842 -8.724 1.00 34.41 C ATOM 1066 CG1 VAL A 64 1.575 27.531 -7.742 1.00 61.11 C ATOM 1067 CG2 VAL A 64 0.970 28.680 -9.884 1.00 64.33 C ATOM 0 H VAL A 64 1.014 26.383 -10.954 1.00 3.42 H new ATOM 0 HA VAL A 64 -0.370 25.875 -8.399 1.00 34.24 H new ATOM 0 HB VAL A 64 -0.305 28.419 -8.199 1.00 34.41 H new ATOM 0 HG11 VAL A 64 2.017 28.462 -7.387 1.00 61.11 H new ATOM 0 HG12 VAL A 64 1.172 26.974 -6.896 1.00 61.11 H new ATOM 0 HG13 VAL A 64 2.339 26.933 -8.239 1.00 61.11 H new ATOM 0 HG21 VAL A 64 1.420 29.595 -9.500 1.00 64.33 H new ATOM 0 HG22 VAL A 64 1.717 28.113 -10.439 1.00 64.33 H new ATOM 0 HG23 VAL A 64 0.141 28.933 -10.545 1.00 64.33 H new ATOM 1077 N HIS A 65 -2.603 26.380 -9.348 1.00 34.32 N ATOM 1078 CA HIS A 65 -3.932 26.627 -9.896 1.00 71.24 C ATOM 1079 C HIS A 65 -4.529 27.906 -9.318 1.00 52.32 C ATOM 1080 O HIS A 65 -5.612 28.334 -9.718 1.00 73.12 O ATOM 1081 CB HIS A 65 -4.855 25.443 -9.606 1.00 70.12 C ATOM 1082 CG HIS A 65 -6.206 25.567 -10.241 1.00 20.01 C ATOM 1083 ND1 HIS A 65 -7.303 26.082 -9.582 1.00 64.51 N ATOM 1084 CD2 HIS A 65 -6.634 25.241 -11.483 1.00 42.21 C ATOM 1085 CE1 HIS A 65 -8.347 26.065 -10.391 1.00 0.20 C ATOM 1086 NE2 HIS A 65 -7.968 25.560 -11.551 1.00 43.41 N ATOM 0 H HIS A 65 -2.595 25.805 -8.505 1.00 34.32 H new ATOM 0 HA HIS A 65 -3.836 26.747 -10.975 1.00 71.24 H new ATOM 0 HB2 HIS A 65 -4.380 24.528 -9.958 1.00 70.12 H new ATOM 0 HB3 HIS A 65 -4.977 25.344 -8.527 1.00 70.12 H new ATOM 0 HD2 HIS A 65 -6.037 24.810 -12.273 1.00 42.21 H new ATOM 0 HE1 HIS A 65 -9.342 26.406 -10.146 1.00 0.20 H new ATOM 0 HE2 HIS A 65 -8.568 25.428 -12.365 1.00 43.41 H new ATOM 1094 N PHE A 66 -3.816 28.512 -8.375 1.00 14.44 N ATOM 1095 CA PHE A 66 -4.277 29.742 -7.740 1.00 22.10 C ATOM 1096 C PHE A 66 -4.651 30.787 -8.787 1.00 34.02 C ATOM 1097 O PHE A 66 -4.241 30.696 -9.943 1.00 53.03 O ATOM 1098 CB PHE A 66 -3.195 30.298 -6.812 1.00 44.22 C ATOM 1099 CG PHE A 66 -2.166 31.131 -7.523 1.00 12.15 C ATOM 1100 CD1 PHE A 66 -1.529 30.651 -8.656 1.00 13.24 C ATOM 1101 CD2 PHE A 66 -1.837 32.394 -7.058 1.00 23.15 C ATOM 1102 CE1 PHE A 66 -0.582 31.415 -9.311 1.00 0.34 C ATOM 1103 CE2 PHE A 66 -0.890 33.163 -7.709 1.00 34.14 C ATOM 1104 CZ PHE A 66 -0.263 32.673 -8.837 1.00 51.13 C ATOM 0 H PHE A 66 -2.917 28.172 -8.033 1.00 14.44 H new ATOM 0 HA PHE A 66 -5.165 29.508 -7.152 1.00 22.10 H new ATOM 0 HB2 PHE A 66 -3.667 30.902 -6.037 1.00 44.22 H new ATOM 0 HB3 PHE A 66 -2.696 29.469 -6.310 1.00 44.22 H new ATOM 0 HD1 PHE A 66 -1.775 29.669 -9.031 1.00 13.24 H new ATOM 0 HD2 PHE A 66 -2.326 32.782 -6.177 1.00 23.15 H new ATOM 0 HE1 PHE A 66 -0.092 31.029 -10.193 1.00 0.34 H new ATOM 0 HE2 PHE A 66 -0.641 34.145 -7.336 1.00 34.14 H new ATOM 0 HZ PHE A 66 0.476 33.272 -9.348 1.00 51.13 H new ATOM 1168 N LEU A 71 -1.016 37.618 -4.224 1.00 24.45 N ATOM 1169 CA LEU A 71 -1.827 37.410 -3.029 1.00 53.42 C ATOM 1170 C LEU A 71 -1.357 38.307 -1.889 1.00 25.15 C ATOM 1171 O LEU A 71 -0.199 38.245 -1.475 1.00 22.13 O ATOM 1172 CB LEU A 71 -1.770 35.944 -2.598 1.00 24.04 C ATOM 1173 CG LEU A 71 -1.740 34.913 -3.726 1.00 72.32 C ATOM 1174 CD1 LEU A 71 -1.904 33.507 -3.169 1.00 41.13 C ATOM 1175 CD2 LEU A 71 -2.825 35.212 -4.751 1.00 2.23 C ATOM 0 HA LEU A 71 -2.858 37.671 -3.270 1.00 53.42 H new ATOM 0 HB2 LEU A 71 -0.884 35.802 -1.980 1.00 24.04 H new ATOM 0 HB3 LEU A 71 -2.635 35.738 -1.967 1.00 24.04 H new ATOM 0 HG LEU A 71 -0.772 34.974 -4.223 1.00 72.32 H new ATOM 0 HD11 LEU A 71 -1.880 32.787 -3.987 1.00 41.13 H new ATOM 0 HD12 LEU A 71 -1.092 33.294 -2.474 1.00 41.13 H new ATOM 0 HD13 LEU A 71 -2.858 33.432 -2.647 1.00 41.13 H new ATOM 0 HD21 LEU A 71 -2.789 34.468 -5.547 1.00 2.23 H new ATOM 0 HD22 LEU A 71 -3.801 35.179 -4.268 1.00 2.23 H new ATOM 0 HD23 LEU A 71 -2.663 36.204 -5.174 1.00 2.23 H new ATOM 1187 N TRP A 72 -2.262 39.137 -1.384 1.00 3.40 N ATOM 1188 CA TRP A 72 -1.939 40.045 -0.289 1.00 12.41 C ATOM 1189 C TRP A 72 -2.242 39.401 1.059 1.00 13.44 C ATOM 1190 O TRP A 72 -3.379 39.014 1.330 1.00 43.11 O ATOM 1191 CB TRP A 72 -2.724 41.350 -0.433 1.00 15.10 C ATOM 1192 CG TRP A 72 -2.465 42.060 -1.727 1.00 60.33 C ATOM 1193 CD1 TRP A 72 -3.398 42.505 -2.619 1.00 74.03 C ATOM 1194 CD2 TRP A 72 -1.188 42.404 -2.275 1.00 24.30 C ATOM 1195 NE1 TRP A 72 -2.778 43.105 -3.689 1.00 11.04 N ATOM 1196 CE2 TRP A 72 -1.422 43.057 -3.501 1.00 31.41 C ATOM 1197 CE3 TRP A 72 0.131 42.226 -1.848 1.00 61.33 C ATOM 1198 CZ2 TRP A 72 -0.386 43.529 -4.302 1.00 53.33 C ATOM 1199 CZ3 TRP A 72 1.158 42.695 -2.645 1.00 0.01 C ATOM 1200 CH2 TRP A 72 0.895 43.341 -3.860 1.00 40.21 C ATOM 0 H TRP A 72 -3.225 39.200 -1.715 1.00 3.40 H new ATOM 0 HA TRP A 72 -0.872 40.264 -0.334 1.00 12.41 H new ATOM 0 HB2 TRP A 72 -3.790 41.135 -0.352 1.00 15.10 H new ATOM 0 HB3 TRP A 72 -2.468 42.012 0.394 1.00 15.10 H new ATOM 0 HD1 TRP A 72 -4.466 42.401 -2.501 1.00 74.03 H new ATOM 0 HE1 TRP A 72 -3.251 43.519 -4.493 1.00 11.04 H new ATOM 0 HE3 TRP A 72 0.344 41.731 -0.912 1.00 61.33 H new ATOM 0 HZ2 TRP A 72 -0.586 44.026 -5.240 1.00 53.33 H new ATOM 0 HZ3 TRP A 72 2.181 42.561 -2.326 1.00 0.01 H new ATOM 0 HH2 TRP A 72 1.720 43.698 -4.459 1.00 40.21 H new ATOM 1211 N GLN A 73 -1.219 39.291 1.901 1.00 75.42 N ATOM 1212 CA GLN A 73 -1.378 38.693 3.221 1.00 34.51 C ATOM 1213 C GLN A 73 -2.526 39.349 3.982 1.00 44.43 C ATOM 1214 O GLN A 73 -2.556 40.568 4.148 1.00 73.12 O ATOM 1215 CB GLN A 73 -0.081 38.820 4.021 1.00 10.04 C ATOM 1216 CG GLN A 73 0.173 37.650 4.959 1.00 41.44 C ATOM 1217 CD GLN A 73 -0.233 37.949 6.388 1.00 11.13 C ATOM 1218 OE1 GLN A 73 -1.298 37.531 6.843 1.00 13.44 O ATOM 1219 NE2 GLN A 73 0.616 38.676 7.106 1.00 71.33 N ATOM 0 H GLN A 73 -0.272 39.608 1.692 1.00 75.42 H new ATOM 0 HA GLN A 73 -1.612 37.637 3.088 1.00 34.51 H new ATOM 0 HB2 GLN A 73 0.756 38.908 3.328 1.00 10.04 H new ATOM 0 HB3 GLN A 73 -0.112 39.741 4.603 1.00 10.04 H new ATOM 0 HG2 GLN A 73 -0.377 36.779 4.604 1.00 41.44 H new ATOM 0 HG3 GLN A 73 1.232 37.391 4.933 1.00 41.44 H new ATOM 0 HE21 GLN A 73 1.488 39.002 6.689 1.00 71.33 H new ATOM 0 HE22 GLN A 73 0.396 38.908 8.075 1.00 71.33 H new ATOM 1228 N GLY A 74 -3.469 38.533 4.442 1.00 64.41 N ATOM 1229 CA GLY A 74 -4.605 39.053 5.179 1.00 33.20 C ATOM 1230 C GLY A 74 -5.786 39.362 4.281 1.00 53.43 C ATOM 1231 O GLY A 74 -6.883 39.651 4.761 1.00 43.22 O ATOM 0 H GLY A 74 -3.466 37.521 4.317 1.00 64.41 H new ATOM 0 HA2 GLY A 74 -4.907 38.328 5.934 1.00 33.20 H new ATOM 0 HA3 GLY A 74 -4.308 39.959 5.708 1.00 33.20 H new ATOM 1235 N LYS A 75 -5.564 39.304 2.972 1.00 5.21 N ATOM 1236 CA LYS A 75 -6.617 39.581 2.003 1.00 32.10 C ATOM 1237 C LYS A 75 -6.827 38.391 1.073 1.00 71.53 C ATOM 1238 O LYS A 75 -7.939 37.878 0.946 1.00 33.14 O ATOM 1239 CB LYS A 75 -6.271 40.827 1.184 1.00 32.33 C ATOM 1240 CG LYS A 75 -5.768 41.987 2.026 1.00 52.04 C ATOM 1241 CD LYS A 75 -6.857 42.529 2.936 1.00 53.32 C ATOM 1242 CE LYS A 75 -6.277 43.386 4.051 1.00 61.15 C ATOM 1243 NZ LYS A 75 -7.338 43.921 4.948 1.00 4.42 N ATOM 0 H LYS A 75 -4.662 39.067 2.558 1.00 5.21 H new ATOM 0 HA LYS A 75 -7.542 39.760 2.551 1.00 32.10 H new ATOM 0 HB2 LYS A 75 -5.511 40.568 0.447 1.00 32.33 H new ATOM 0 HB3 LYS A 75 -7.155 41.146 0.632 1.00 32.33 H new ATOM 0 HG2 LYS A 75 -4.920 41.660 2.627 1.00 52.04 H new ATOM 0 HG3 LYS A 75 -5.409 42.783 1.373 1.00 52.04 H new ATOM 0 HD2 LYS A 75 -7.561 43.120 2.350 1.00 53.32 H new ATOM 0 HD3 LYS A 75 -7.418 41.700 3.367 1.00 53.32 H new ATOM 0 HE2 LYS A 75 -5.572 42.794 4.635 1.00 61.15 H new ATOM 0 HE3 LYS A 75 -5.716 44.214 3.618 1.00 61.15 H new ATOM 0 HZ1 LYS A 75 -6.902 44.500 5.694 1.00 4.42 H new ATOM 0 HZ2 LYS A 75 -7.997 44.507 4.396 1.00 4.42 H new ATOM 0 HZ3 LYS A 75 -7.857 43.131 5.381 1.00 4.42 H new ATOM 1257 N ASP A 76 -5.752 37.955 0.425 1.00 12.00 N ATOM 1258 CA ASP A 76 -5.818 36.823 -0.492 1.00 34.12 C ATOM 1259 C ASP A 76 -5.481 35.521 0.227 1.00 23.35 C ATOM 1260 O ASP A 76 -5.221 34.498 -0.408 1.00 11.54 O ATOM 1261 CB ASP A 76 -4.862 37.034 -1.667 1.00 21.05 C ATOM 1262 CG ASP A 76 -5.341 38.115 -2.616 1.00 24.31 C ATOM 1263 OD1 ASP A 76 -6.305 37.860 -3.367 1.00 53.14 O ATOM 1264 OD2 ASP A 76 -4.751 39.215 -2.607 1.00 12.31 O ATOM 0 H ASP A 76 -4.824 38.369 0.518 1.00 12.00 H new ATOM 0 HA ASP A 76 -6.837 36.754 -0.872 1.00 34.12 H new ATOM 0 HB2 ASP A 76 -3.876 37.300 -1.286 1.00 21.05 H new ATOM 0 HB3 ASP A 76 -4.751 36.098 -2.214 1.00 21.05 H new ATOM 1269 N ASP A 77 -5.485 35.566 1.555 1.00 33.11 N ATOM 1270 CA ASP A 77 -5.180 34.390 2.361 1.00 25.23 C ATOM 1271 C ASP A 77 -6.109 33.233 2.009 1.00 71.32 C ATOM 1272 O ASP A 77 -5.758 32.065 2.183 1.00 40.23 O ATOM 1273 CB ASP A 77 -5.298 34.720 3.850 1.00 53.52 C ATOM 1274 CG ASP A 77 -6.711 35.099 4.248 1.00 53.22 C ATOM 1275 OD1 ASP A 77 -7.198 36.149 3.779 1.00 51.00 O ATOM 1276 OD2 ASP A 77 -7.330 34.346 5.029 1.00 51.11 O ATOM 0 H ASP A 77 -5.696 36.405 2.096 1.00 33.11 H new ATOM 0 HA ASP A 77 -4.155 34.088 2.144 1.00 25.23 H new ATOM 0 HB2 ASP A 77 -4.977 33.859 4.437 1.00 53.52 H new ATOM 0 HB3 ASP A 77 -4.623 35.541 4.092 1.00 53.52 H new ATOM 1281 N HIS A 78 -7.297 33.565 1.513 1.00 33.55 N ATOM 1282 CA HIS A 78 -8.278 32.553 1.137 1.00 72.20 C ATOM 1283 C HIS A 78 -7.803 31.761 -0.078 1.00 12.13 C ATOM 1284 O HIS A 78 -8.288 30.661 -0.343 1.00 54.21 O ATOM 1285 CB HIS A 78 -9.628 33.207 0.838 1.00 24.32 C ATOM 1286 CG HIS A 78 -9.658 33.950 -0.461 1.00 51.55 C ATOM 1287 ND1 HIS A 78 -8.723 34.724 -1.061 1.00 65.31 N flip ATOM 1288 CD2 HIS A 78 -10.750 33.949 -1.304 1.00 11.32 C flip ATOM 1289 CE1 HIS A 78 -9.261 35.170 -2.243 1.00 60.24 C flip ATOM 1290 NE2 HIS A 78 -10.484 34.688 -2.366 1.00 44.31 N flip ATOM 0 H HIS A 78 -7.603 34.526 1.362 1.00 33.55 H new ATOM 0 HA HIS A 78 -8.393 31.865 1.975 1.00 72.20 H new ATOM 0 HB2 HIS A 78 -10.400 32.438 0.825 1.00 24.32 H new ATOM 0 HB3 HIS A 78 -9.876 33.895 1.646 1.00 24.32 H new ATOM 0 HD2 HIS A 78 -11.677 33.426 -1.124 1.00 11.32 H new ATOM 0 HE1 HIS A 78 -8.764 35.811 -2.956 1.00 60.24 H new ATOM 0 HE2 HIS A 78 -11.116 34.858 -3.148 1.00 44.31 H new ATOM 1298 N VAL A 79 -6.852 32.328 -0.813 1.00 1.22 N ATOM 1299 CA VAL A 79 -6.311 31.675 -1.999 1.00 51.50 C ATOM 1300 C VAL A 79 -5.780 30.286 -1.667 1.00 62.54 C ATOM 1301 O VAL A 79 -4.816 30.141 -0.915 1.00 32.51 O ATOM 1302 CB VAL A 79 -5.180 32.508 -2.631 1.00 40.04 C ATOM 1303 CG1 VAL A 79 -4.499 31.726 -3.744 1.00 70.11 C ATOM 1304 CG2 VAL A 79 -5.720 33.831 -3.152 1.00 52.31 C ATOM 0 H VAL A 79 -6.440 33.238 -0.608 1.00 1.22 H new ATOM 0 HA VAL A 79 -7.130 31.586 -2.713 1.00 51.50 H new ATOM 0 HB VAL A 79 -4.437 32.722 -1.863 1.00 40.04 H new ATOM 0 HG11 VAL A 79 -3.703 32.330 -4.179 1.00 70.11 H new ATOM 0 HG12 VAL A 79 -4.076 30.807 -3.337 1.00 70.11 H new ATOM 0 HG13 VAL A 79 -5.229 31.479 -4.515 1.00 70.11 H new ATOM 0 HG21 VAL A 79 -4.907 34.407 -3.595 1.00 52.31 H new ATOM 0 HG22 VAL A 79 -6.483 33.641 -3.907 1.00 52.31 H new ATOM 0 HG23 VAL A 79 -6.157 34.395 -2.328 1.00 52.31 H new ATOM 1314 N VAL A 80 -6.414 29.264 -2.235 1.00 14.54 N ATOM 1315 CA VAL A 80 -6.005 27.885 -2.001 1.00 21.21 C ATOM 1316 C VAL A 80 -5.019 27.416 -3.065 1.00 52.33 C ATOM 1317 O VAL A 80 -5.358 27.334 -4.246 1.00 72.02 O ATOM 1318 CB VAL A 80 -7.217 26.935 -1.985 1.00 60.44 C ATOM 1319 CG1 VAL A 80 -6.759 25.486 -1.910 1.00 11.03 C ATOM 1320 CG2 VAL A 80 -8.142 27.271 -0.826 1.00 15.11 C ATOM 0 H VAL A 80 -7.213 29.366 -2.861 1.00 14.54 H new ATOM 0 HA VAL A 80 -5.521 27.860 -1.025 1.00 21.21 H new ATOM 0 HB VAL A 80 -7.773 27.068 -2.913 1.00 60.44 H new ATOM 0 HG11 VAL A 80 -7.629 24.829 -1.900 1.00 11.03 H new ATOM 0 HG12 VAL A 80 -6.140 25.255 -2.777 1.00 11.03 H new ATOM 0 HG13 VAL A 80 -6.179 25.334 -1.000 1.00 11.03 H new ATOM 0 HG21 VAL A 80 -8.993 26.590 -0.830 1.00 15.11 H new ATOM 0 HG22 VAL A 80 -7.600 27.168 0.114 1.00 15.11 H new ATOM 0 HG23 VAL A 80 -8.498 28.296 -0.930 1.00 15.11 H new ATOM 1330 N ILE A 81 -3.798 27.110 -2.639 1.00 74.14 N ATOM 1331 CA ILE A 81 -2.764 26.648 -3.556 1.00 63.21 C ATOM 1332 C ILE A 81 -2.730 25.125 -3.624 1.00 61.23 C ATOM 1333 O ILE A 81 -2.320 24.458 -2.674 1.00 2.15 O ATOM 1334 CB ILE A 81 -1.373 27.163 -3.141 1.00 61.11 C ATOM 1335 CG1 ILE A 81 -1.347 28.693 -3.152 1.00 74.30 C ATOM 1336 CG2 ILE A 81 -0.303 26.603 -4.067 1.00 1.34 C ATOM 1337 CD1 ILE A 81 -1.840 29.315 -1.864 1.00 74.52 C ATOM 0 H ILE A 81 -3.501 27.174 -1.665 1.00 74.14 H new ATOM 0 HA ILE A 81 -3.012 27.048 -4.539 1.00 63.21 H new ATOM 0 HB ILE A 81 -1.163 26.822 -2.127 1.00 61.11 H new ATOM 0 HG12 ILE A 81 -0.328 29.030 -3.342 1.00 74.30 H new ATOM 0 HG13 ILE A 81 -1.961 29.053 -3.978 1.00 74.30 H new ATOM 0 HG21 ILE A 81 0.674 26.976 -3.761 1.00 1.34 H new ATOM 0 HG22 ILE A 81 -0.309 25.514 -4.014 1.00 1.34 H new ATOM 0 HG23 ILE A 81 -0.507 26.917 -5.091 1.00 1.34 H new ATOM 0 HD11 ILE A 81 -1.794 30.401 -1.943 1.00 74.52 H new ATOM 0 HD12 ILE A 81 -2.870 29.008 -1.683 1.00 74.52 H new ATOM 0 HD13 ILE A 81 -1.212 28.985 -1.037 1.00 74.52 H new ATOM 1349 N THR A 82 -3.162 24.579 -4.757 1.00 34.34 N ATOM 1350 CA THR A 82 -3.181 23.134 -4.950 1.00 53.31 C ATOM 1351 C THR A 82 -2.058 22.689 -5.880 1.00 11.43 C ATOM 1352 O THR A 82 -2.056 23.014 -7.068 1.00 35.30 O ATOM 1353 CB THR A 82 -4.529 22.663 -5.529 1.00 64.41 C ATOM 1354 OG1 THR A 82 -4.446 21.282 -5.899 1.00 34.44 O ATOM 1355 CG2 THR A 82 -4.918 23.495 -6.741 1.00 63.05 C ATOM 0 H THR A 82 -3.503 25.116 -5.554 1.00 34.34 H new ATOM 0 HA THR A 82 -3.037 22.682 -3.969 1.00 53.31 H new ATOM 0 HB THR A 82 -5.293 22.789 -4.762 1.00 64.41 H new ATOM 0 HG1 THR A 82 -5.307 20.989 -6.265 1.00 34.44 H new ATOM 0 HG21 THR A 82 -5.873 23.144 -7.132 1.00 63.05 H new ATOM 0 HG22 THR A 82 -5.008 24.542 -6.450 1.00 63.05 H new ATOM 0 HG23 THR A 82 -4.152 23.397 -7.511 1.00 63.05 H new ATOM 1363 N LEU A 83 -1.104 21.945 -5.333 1.00 22.45 N ATOM 1364 CA LEU A 83 0.026 21.454 -6.114 1.00 21.32 C ATOM 1365 C LEU A 83 -0.452 20.740 -7.374 1.00 32.10 C ATOM 1366 O LEU A 83 -0.933 19.607 -7.314 1.00 41.45 O ATOM 1367 CB LEU A 83 0.881 20.506 -5.271 1.00 2.24 C ATOM 1368 CG LEU A 83 2.395 20.647 -5.431 1.00 24.35 C ATOM 1369 CD1 LEU A 83 2.850 22.036 -5.012 1.00 13.33 C ATOM 1370 CD2 LEU A 83 3.118 19.580 -4.621 1.00 5.54 C ATOM 0 H LEU A 83 -1.090 21.668 -4.351 1.00 22.45 H new ATOM 0 HA LEU A 83 0.630 22.311 -6.411 1.00 21.32 H new ATOM 0 HB2 LEU A 83 0.631 20.660 -4.221 1.00 2.24 H new ATOM 0 HB3 LEU A 83 0.603 19.481 -5.518 1.00 2.24 H new ATOM 0 HG LEU A 83 2.644 20.508 -6.483 1.00 24.35 H new ATOM 0 HD11 LEU A 83 3.930 22.117 -5.133 1.00 13.33 H new ATOM 0 HD12 LEU A 83 2.358 22.783 -5.635 1.00 13.33 H new ATOM 0 HD13 LEU A 83 2.588 22.205 -3.967 1.00 13.33 H new ATOM 0 HD21 LEU A 83 4.195 19.695 -4.746 1.00 5.54 H new ATOM 0 HD22 LEU A 83 2.862 19.688 -3.567 1.00 5.54 H new ATOM 0 HD23 LEU A 83 2.816 18.592 -4.969 1.00 5.54 H new ATOM 1382 N LEU A 84 -0.316 21.408 -8.514 1.00 3.10 N ATOM 1383 CA LEU A 84 -0.732 20.837 -9.790 1.00 62.12 C ATOM 1384 C LEU A 84 0.438 20.147 -10.485 1.00 52.33 C ATOM 1385 O LEU A 84 1.106 20.741 -11.331 1.00 60.42 O ATOM 1386 CB LEU A 84 -1.307 21.927 -10.696 1.00 13.11 C ATOM 1387 CG LEU A 84 -2.832 21.979 -10.798 1.00 11.43 C ATOM 1388 CD1 LEU A 84 -3.451 22.208 -9.428 1.00 0.45 C ATOM 1389 CD2 LEU A 84 -3.265 23.068 -11.769 1.00 63.11 C ATOM 0 H LEU A 84 0.079 22.346 -8.581 1.00 3.10 H new ATOM 0 HA LEU A 84 -1.504 20.093 -9.593 1.00 62.12 H new ATOM 0 HB2 LEU A 84 -0.954 22.894 -10.337 1.00 13.11 H new ATOM 0 HB3 LEU A 84 -0.900 21.791 -11.698 1.00 13.11 H new ATOM 0 HG LEU A 84 -3.184 21.020 -11.178 1.00 11.43 H new ATOM 0 HD11 LEU A 84 -4.537 22.242 -9.520 1.00 0.45 H new ATOM 0 HD12 LEU A 84 -3.169 21.394 -8.761 1.00 0.45 H new ATOM 0 HD13 LEU A 84 -3.092 23.153 -9.020 1.00 0.45 H new ATOM 0 HD21 LEU A 84 -4.353 23.090 -11.829 1.00 63.11 H new ATOM 0 HD22 LEU A 84 -2.901 24.034 -11.419 1.00 63.11 H new ATOM 0 HD23 LEU A 84 -2.851 22.861 -12.756 1.00 63.11 H new ATOM 1401 N GLU A 85 0.677 18.891 -10.124 1.00 22.34 N ATOM 1402 CA GLU A 85 1.765 18.121 -10.714 1.00 64.52 C ATOM 1403 C GLU A 85 1.230 16.886 -11.435 1.00 10.45 C ATOM 1404 O GLU A 85 0.188 16.940 -12.087 1.00 32.24 O ATOM 1405 CB GLU A 85 2.767 17.701 -9.636 1.00 73.00 C ATOM 1406 CG GLU A 85 3.807 18.764 -9.324 1.00 54.13 C ATOM 1407 CD GLU A 85 5.197 18.186 -9.146 1.00 31.31 C ATOM 1408 OE1 GLU A 85 5.660 17.466 -10.055 1.00 63.41 O ATOM 1409 OE2 GLU A 85 5.821 18.453 -8.098 1.00 21.51 O ATOM 0 H GLU A 85 0.132 18.385 -9.426 1.00 22.34 H new ATOM 0 HA GLU A 85 2.270 18.755 -11.442 1.00 64.52 H new ATOM 0 HB2 GLU A 85 2.224 17.457 -8.723 1.00 73.00 H new ATOM 0 HB3 GLU A 85 3.274 16.792 -9.958 1.00 73.00 H new ATOM 0 HG2 GLU A 85 3.823 19.498 -10.129 1.00 54.13 H new ATOM 0 HG3 GLU A 85 3.519 19.293 -8.416 1.00 54.13 H new