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 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= -0.406 USER MOD Single : A 23 THR OG1 : rot -88:sc= 1.25 USER MOD Single : A 24 MET CE :methyl 161:sc= -7.85! (180deg=-9.65!) USER MOD Single : A 34 GLN : amide:sc= -1.58 K(o=-1.6,f=-5.7!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0318 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.0856 USER MOD Single : A 48 SER OG : rot -61:sc= -0.786 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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=-0.00578 X(o=-0.0058,f=-0.16) USER MOD Single : A 65 HIS : no HD1:sc= -2.76! C(o=-2.8!,f=-3.3!) USER MOD Single : A 73 GLN : amide:sc= -0.295 X(o=-0.3,f=-0.22) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HE2:sc= -0.0361 X(o=-0.036,f=-0.47) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 145 N TYR A 11 7.744 16.166 -11.282 1.00 73.34 N ATOM 146 CA TYR A 11 8.746 17.142 -11.692 1.00 24.05 C ATOM 147 C TYR A 11 9.788 17.345 -10.596 1.00 22.04 C ATOM 148 O TYR A 11 9.451 17.652 -9.452 1.00 53.22 O ATOM 149 CB TYR A 11 8.081 18.477 -12.031 1.00 75.52 C ATOM 150 CG TYR A 11 7.448 18.506 -13.404 1.00 60.52 C ATOM 151 CD1 TYR A 11 8.199 18.819 -14.530 1.00 71.34 C ATOM 152 CD2 TYR A 11 6.099 18.219 -13.575 1.00 62.43 C ATOM 153 CE1 TYR A 11 7.625 18.847 -15.786 1.00 52.15 C ATOM 154 CE2 TYR A 11 5.517 18.243 -14.828 1.00 10.22 C ATOM 155 CZ TYR A 11 6.284 18.558 -15.930 1.00 53.42 C ATOM 156 OH TYR A 11 5.708 18.584 -17.180 1.00 5.21 O ATOM 0 HA TYR A 11 9.248 16.758 -12.580 1.00 24.05 H new ATOM 0 HB2 TYR A 11 7.318 18.693 -11.283 1.00 75.52 H new ATOM 0 HB3 TYR A 11 8.825 19.271 -11.966 1.00 75.52 H new ATOM 0 HD1 TYR A 11 9.250 19.044 -14.421 1.00 71.34 H new ATOM 0 HD2 TYR A 11 5.495 17.973 -12.714 1.00 62.43 H new ATOM 0 HE1 TYR A 11 8.223 19.094 -16.651 1.00 52.15 H new ATOM 0 HE2 TYR A 11 4.467 18.016 -14.944 1.00 10.22 H new ATOM 0 HH TYR A 11 4.758 18.356 -17.107 1.00 5.21 H new ATOM 166 N ARG A 12 11.056 17.171 -10.954 1.00 41.41 N ATOM 167 CA ARG A 12 12.148 17.335 -10.002 1.00 64.44 C ATOM 168 C ARG A 12 12.301 18.797 -9.595 1.00 52.34 C ATOM 169 O ARG A 12 12.495 19.107 -8.420 1.00 74.04 O ATOM 170 CB ARG A 12 13.458 16.822 -10.604 1.00 42.42 C ATOM 171 CG ARG A 12 13.831 17.496 -11.915 1.00 33.21 C ATOM 172 CD ARG A 12 15.056 16.851 -12.544 1.00 75.33 C ATOM 173 NE ARG A 12 16.296 17.477 -12.095 1.00 51.43 N ATOM 174 CZ ARG A 12 17.503 16.995 -12.367 1.00 23.34 C ATOM 175 NH1 ARG A 12 17.632 15.886 -13.082 1.00 22.33 N ATOM 176 NH2 ARG A 12 18.585 17.622 -11.923 1.00 21.02 N ATOM 0 H ARG A 12 11.352 16.917 -11.896 1.00 41.41 H new ATOM 0 HA ARG A 12 11.911 16.752 -9.112 1.00 64.44 H new ATOM 0 HB2 ARG A 12 14.263 16.975 -9.885 1.00 42.42 H new ATOM 0 HB3 ARG A 12 13.377 15.747 -10.768 1.00 42.42 H new ATOM 0 HG2 ARG A 12 12.991 17.437 -12.608 1.00 33.21 H new ATOM 0 HG3 ARG A 12 14.025 18.554 -11.739 1.00 33.21 H new ATOM 0 HD2 ARG A 12 15.075 15.790 -12.295 1.00 75.33 H new ATOM 0 HD3 ARG A 12 14.986 16.923 -13.629 1.00 75.33 H new ATOM 0 HE ARG A 12 16.232 18.332 -11.542 1.00 51.43 H new ATOM 0 HH11 ARG A 12 16.803 15.401 -13.425 1.00 22.33 H new ATOM 0 HH12 ARG A 12 18.560 15.518 -13.289 1.00 22.33 H new ATOM 0 HH21 ARG A 12 18.490 18.475 -11.372 1.00 21.02 H new ATOM 0 HH22 ARG A 12 19.512 17.251 -12.133 1.00 21.02 H new ATOM 190 N GLU A 13 12.212 19.691 -10.575 1.00 42.32 N ATOM 191 CA GLU A 13 12.342 21.121 -10.318 1.00 72.22 C ATOM 192 C GLU A 13 11.285 21.593 -9.323 1.00 64.42 C ATOM 193 O GLU A 13 11.573 22.385 -8.426 1.00 1.32 O ATOM 194 CB GLU A 13 12.217 21.910 -11.623 1.00 64.44 C ATOM 195 CG GLU A 13 13.364 21.671 -12.591 1.00 24.42 C ATOM 196 CD GLU A 13 14.410 22.767 -12.538 1.00 41.52 C ATOM 197 OE1 GLU A 13 14.030 23.954 -12.627 1.00 35.31 O ATOM 198 OE2 GLU A 13 15.608 22.440 -12.409 1.00 1.22 O ATOM 0 H GLU A 13 12.051 19.451 -11.553 1.00 42.32 H new ATOM 0 HA GLU A 13 13.327 21.298 -9.887 1.00 72.22 H new ATOM 0 HB2 GLU A 13 11.279 21.643 -12.111 1.00 64.44 H new ATOM 0 HB3 GLU A 13 12.164 22.974 -11.391 1.00 64.44 H new ATOM 0 HG2 GLU A 13 13.834 20.714 -12.363 1.00 24.42 H new ATOM 0 HG3 GLU A 13 12.970 21.599 -13.605 1.00 24.42 H new ATOM 205 N ILE A 14 10.063 21.100 -9.490 1.00 14.32 N ATOM 206 CA ILE A 14 8.964 21.471 -8.607 1.00 34.32 C ATOM 207 C ILE A 14 9.289 21.138 -7.155 1.00 30.33 C ATOM 208 O ILE A 14 8.692 21.692 -6.232 1.00 25.42 O ATOM 209 CB ILE A 14 7.657 20.759 -9.005 1.00 22.33 C ATOM 210 CG1 ILE A 14 7.267 21.125 -10.438 1.00 0.50 C ATOM 211 CG2 ILE A 14 6.541 21.121 -8.037 1.00 33.22 C ATOM 212 CD1 ILE A 14 6.930 22.589 -10.617 1.00 14.14 C ATOM 0 H ILE A 14 9.809 20.443 -10.228 1.00 14.32 H new ATOM 0 HA ILE A 14 8.827 22.548 -8.709 1.00 34.32 H new ATOM 0 HB ILE A 14 7.818 19.682 -8.957 1.00 22.33 H new ATOM 0 HG12 ILE A 14 8.087 20.865 -11.107 1.00 0.50 H new ATOM 0 HG13 ILE A 14 6.409 20.524 -10.737 1.00 0.50 H new ATOM 0 HG21 ILE A 14 5.624 20.610 -8.331 1.00 33.22 H new ATOM 0 HG22 ILE A 14 6.820 20.814 -7.029 1.00 33.22 H new ATOM 0 HG23 ILE A 14 6.378 22.199 -8.056 1.00 33.22 H new ATOM 0 HD11 ILE A 14 6.663 22.776 -11.657 1.00 14.14 H new ATOM 0 HD12 ILE A 14 6.090 22.850 -9.974 1.00 14.14 H new ATOM 0 HD13 ILE A 14 7.794 23.197 -10.349 1.00 14.14 H new ATOM 224 N MET A 15 10.240 20.230 -6.960 1.00 44.43 N ATOM 225 CA MET A 15 10.648 19.826 -5.620 1.00 34.23 C ATOM 226 C MET A 15 10.989 21.042 -4.765 1.00 15.22 C ATOM 227 O MET A 15 10.905 20.992 -3.538 1.00 51.32 O ATOM 228 CB MET A 15 11.852 18.885 -5.692 1.00 34.45 C ATOM 229 CG MET A 15 12.268 18.326 -4.340 1.00 52.24 C ATOM 230 SD MET A 15 13.859 17.480 -4.399 1.00 31.21 S ATOM 231 CE MET A 15 14.976 18.835 -4.050 1.00 45.43 C ATOM 0 H MET A 15 10.742 19.760 -7.713 1.00 44.43 H new ATOM 0 HA MET A 15 9.813 19.301 -5.156 1.00 34.23 H new ATOM 0 HB2 MET A 15 11.617 18.058 -6.361 1.00 34.45 H new ATOM 0 HB3 MET A 15 12.695 19.419 -6.130 1.00 34.45 H new ATOM 0 HG2 MET A 15 12.319 19.139 -3.615 1.00 52.24 H new ATOM 0 HG3 MET A 15 11.505 17.632 -3.987 1.00 52.24 H new ATOM 0 HE1 MET A 15 16.003 18.470 -4.052 1.00 45.43 H new ATOM 0 HE2 MET A 15 14.863 19.605 -4.813 1.00 45.43 H new ATOM 0 HE3 MET A 15 14.743 19.256 -3.072 1.00 45.43 H new ATOM 241 N GLU A 16 11.373 22.132 -5.421 1.00 41.42 N ATOM 242 CA GLU A 16 11.728 23.360 -4.719 1.00 54.54 C ATOM 243 C GLU A 16 10.594 23.809 -3.801 1.00 25.42 C ATOM 244 O GLU A 16 10.798 24.027 -2.606 1.00 21.13 O ATOM 245 CB GLU A 16 12.056 24.470 -5.721 1.00 31.22 C ATOM 246 CG GLU A 16 13.412 24.307 -6.386 1.00 41.05 C ATOM 247 CD GLU A 16 14.533 24.108 -5.385 1.00 62.42 C ATOM 248 OE1 GLU A 16 14.839 25.062 -4.640 1.00 32.02 O ATOM 249 OE2 GLU A 16 15.105 22.998 -5.347 1.00 0.20 O ATOM 0 H GLU A 16 11.446 22.190 -6.437 1.00 41.42 H new ATOM 0 HA GLU A 16 12.609 23.158 -4.109 1.00 54.54 H new ATOM 0 HB2 GLU A 16 11.284 24.494 -6.490 1.00 31.22 H new ATOM 0 HB3 GLU A 16 12.025 25.432 -5.209 1.00 31.22 H new ATOM 0 HG2 GLU A 16 13.380 23.454 -7.064 1.00 41.05 H new ATOM 0 HG3 GLU A 16 13.623 25.188 -6.992 1.00 41.05 H new ATOM 256 N LEU A 17 9.400 23.944 -4.367 1.00 45.40 N ATOM 257 CA LEU A 17 8.234 24.367 -3.600 1.00 54.12 C ATOM 258 C LEU A 17 7.597 23.183 -2.880 1.00 71.43 C ATOM 259 O LEU A 17 7.286 23.261 -1.691 1.00 71.51 O ATOM 260 CB LEU A 17 7.208 25.031 -4.520 1.00 55.01 C ATOM 261 CG LEU A 17 6.307 26.083 -3.872 1.00 41.42 C ATOM 262 CD1 LEU A 17 6.811 27.483 -4.187 1.00 13.54 C ATOM 263 CD2 LEU A 17 4.869 25.915 -4.339 1.00 35.20 C ATOM 0 H LEU A 17 9.214 23.767 -5.354 1.00 45.40 H new ATOM 0 HA LEU A 17 8.564 25.088 -2.852 1.00 54.12 H new ATOM 0 HB2 LEU A 17 7.741 25.498 -5.348 1.00 55.01 H new ATOM 0 HB3 LEU A 17 6.575 24.253 -4.947 1.00 55.01 H new ATOM 0 HG LEU A 17 6.335 25.942 -2.791 1.00 41.42 H new ATOM 0 HD11 LEU A 17 6.158 28.219 -3.718 1.00 13.54 H new ATOM 0 HD12 LEU A 17 7.824 27.600 -3.803 1.00 13.54 H new ATOM 0 HD13 LEU A 17 6.812 27.635 -5.266 1.00 13.54 H new ATOM 0 HD21 LEU A 17 4.243 26.672 -3.868 1.00 35.20 H new ATOM 0 HD22 LEU A 17 4.823 26.029 -5.422 1.00 35.20 H new ATOM 0 HD23 LEU A 17 4.510 24.924 -4.062 1.00 35.20 H new ATOM 275 N CYS A 18 7.408 22.087 -3.608 1.00 12.35 N ATOM 276 CA CYS A 18 6.809 20.885 -3.038 1.00 3.21 C ATOM 277 C CYS A 18 7.465 20.530 -1.707 1.00 71.45 C ATOM 278 O CYS A 18 6.796 20.089 -0.772 1.00 64.32 O ATOM 279 CB CYS A 18 6.939 19.714 -4.013 1.00 41.43 C ATOM 280 SG CYS A 18 6.297 18.149 -3.377 1.00 20.43 S ATOM 0 H CYS A 18 7.661 22.006 -4.593 1.00 12.35 H new ATOM 0 HA CYS A 18 5.752 21.084 -2.860 1.00 3.21 H new ATOM 0 HB2 CYS A 18 6.413 19.962 -4.935 1.00 41.43 H new ATOM 0 HB3 CYS A 18 7.990 19.585 -4.271 1.00 41.43 H new ATOM 0 HG CYS A 18 6.450 17.221 -4.274 1.00 20.43 H new ATOM 286 N PHE A 19 8.777 20.723 -1.630 1.00 64.32 N ATOM 287 CA PHE A 19 9.524 20.420 -0.415 1.00 65.21 C ATOM 288 C PHE A 19 8.925 21.145 0.787 1.00 63.44 C ATOM 289 O PHE A 19 8.803 20.576 1.872 1.00 64.24 O ATOM 290 CB PHE A 19 10.993 20.814 -0.582 1.00 43.44 C ATOM 291 CG PHE A 19 11.830 20.541 0.635 1.00 52.41 C ATOM 292 CD1 PHE A 19 11.882 21.455 1.675 1.00 44.42 C ATOM 293 CD2 PHE A 19 12.564 19.371 0.739 1.00 71.20 C ATOM 294 CE1 PHE A 19 12.651 21.207 2.797 1.00 51.24 C ATOM 295 CE2 PHE A 19 13.334 19.117 1.858 1.00 33.04 C ATOM 296 CZ PHE A 19 13.378 20.037 2.888 1.00 62.21 C ATOM 0 H PHE A 19 9.345 21.088 -2.395 1.00 64.32 H new ATOM 0 HA PHE A 19 9.461 19.346 -0.238 1.00 65.21 H new ATOM 0 HB2 PHE A 19 11.412 20.272 -1.430 1.00 43.44 H new ATOM 0 HB3 PHE A 19 11.051 21.876 -0.822 1.00 43.44 H new ATOM 0 HD1 PHE A 19 11.315 22.372 1.608 1.00 44.42 H new ATOM 0 HD2 PHE A 19 12.534 18.649 -0.064 1.00 71.20 H new ATOM 0 HE1 PHE A 19 12.683 21.927 3.601 1.00 51.24 H new ATOM 0 HE2 PHE A 19 13.901 18.200 1.927 1.00 33.04 H new ATOM 0 HZ PHE A 19 13.980 19.841 3.763 1.00 62.21 H new ATOM 306 N VAL A 20 8.553 22.405 0.585 1.00 70.41 N ATOM 307 CA VAL A 20 7.966 23.208 1.650 1.00 10.35 C ATOM 308 C VAL A 20 6.516 22.810 1.904 1.00 43.41 C ATOM 309 O VAL A 20 6.054 22.805 3.045 1.00 11.52 O ATOM 310 CB VAL A 20 8.024 24.711 1.317 1.00 74.10 C ATOM 311 CG1 VAL A 20 7.279 25.520 2.368 1.00 41.21 C ATOM 312 CG2 VAL A 20 9.467 25.175 1.199 1.00 65.01 C ATOM 0 H VAL A 20 8.648 22.891 -0.307 1.00 70.41 H new ATOM 0 HA VAL A 20 8.554 23.020 2.549 1.00 10.35 H new ATOM 0 HB VAL A 20 7.535 24.872 0.356 1.00 74.10 H new ATOM 0 HG11 VAL A 20 7.331 26.579 2.116 1.00 41.21 H new ATOM 0 HG12 VAL A 20 6.236 25.205 2.398 1.00 41.21 H new ATOM 0 HG13 VAL A 20 7.736 25.357 3.344 1.00 41.21 H new ATOM 0 HG21 VAL A 20 9.489 26.239 0.963 1.00 65.01 H new ATOM 0 HG22 VAL A 20 9.983 25.002 2.143 1.00 65.01 H new ATOM 0 HG23 VAL A 20 9.965 24.617 0.406 1.00 65.01 H new ATOM 322 N ILE A 21 5.804 22.477 0.833 1.00 62.12 N ATOM 323 CA ILE A 21 4.407 22.076 0.940 1.00 70.24 C ATOM 324 C ILE A 21 4.270 20.752 1.684 1.00 65.34 C ATOM 325 O ILE A 21 3.317 20.545 2.434 1.00 14.21 O ATOM 326 CB ILE A 21 3.752 21.942 -0.448 1.00 21.11 C ATOM 327 CG1 ILE A 21 4.010 23.199 -1.281 1.00 65.23 C ATOM 328 CG2 ILE A 21 2.258 21.691 -0.306 1.00 42.45 C ATOM 329 CD1 ILE A 21 3.640 24.482 -0.571 1.00 33.32 C ATOM 0 H ILE A 21 6.171 22.477 -0.119 1.00 62.12 H new ATOM 0 HA ILE A 21 3.896 22.859 1.500 1.00 70.24 H new ATOM 0 HB ILE A 21 4.196 21.090 -0.963 1.00 21.11 H new ATOM 0 HG12 ILE A 21 5.065 23.235 -1.552 1.00 65.23 H new ATOM 0 HG13 ILE A 21 3.444 23.132 -2.210 1.00 65.23 H new ATOM 0 HG21 ILE A 21 1.809 21.599 -1.295 1.00 42.45 H new ATOM 0 HG22 ILE A 21 2.095 20.770 0.254 1.00 42.45 H new ATOM 0 HG23 ILE A 21 1.798 22.524 0.225 1.00 42.45 H new ATOM 0 HD11 ILE A 21 3.850 25.331 -1.221 1.00 33.32 H new ATOM 0 HD12 ILE A 21 2.579 24.468 -0.324 1.00 33.32 H new ATOM 0 HD13 ILE A 21 4.225 24.573 0.344 1.00 33.32 H new ATOM 341 N ARG A 22 5.231 19.858 1.472 1.00 43.44 N ATOM 342 CA ARG A 22 5.219 18.554 2.123 1.00 70.13 C ATOM 343 C ARG A 22 5.370 18.699 3.634 1.00 3.31 C ATOM 344 O ARG A 22 4.905 17.855 4.400 1.00 21.42 O ATOM 345 CB ARG A 22 6.341 17.673 1.569 1.00 11.44 C ATOM 346 CG ARG A 22 5.843 16.510 0.728 1.00 60.22 C ATOM 347 CD ARG A 22 6.742 15.292 0.873 1.00 4.20 C ATOM 348 NE ARG A 22 6.350 14.453 2.002 1.00 12.32 N ATOM 349 CZ ARG A 22 7.128 13.511 2.523 1.00 32.01 C ATOM 350 NH1 ARG A 22 8.334 13.289 2.019 1.00 10.13 N ATOM 351 NH2 ARG A 22 6.700 12.789 3.551 1.00 72.34 N ATOM 0 H ARG A 22 6.028 20.014 0.854 1.00 43.44 H new ATOM 0 HA ARG A 22 4.259 18.081 1.915 1.00 70.13 H new ATOM 0 HB2 ARG A 22 7.009 18.287 0.965 1.00 11.44 H new ATOM 0 HB3 ARG A 22 6.930 17.284 2.400 1.00 11.44 H new ATOM 0 HG2 ARG A 22 4.827 16.252 1.028 1.00 60.22 H new ATOM 0 HG3 ARG A 22 5.800 16.809 -0.319 1.00 60.22 H new ATOM 0 HD2 ARG A 22 6.707 14.704 -0.044 1.00 4.20 H new ATOM 0 HD3 ARG A 22 7.774 15.617 1.004 1.00 4.20 H new ATOM 0 HE ARG A 22 5.428 14.598 2.413 1.00 12.32 H new ATOM 0 HH11 ARG A 22 8.666 13.842 1.229 1.00 10.13 H new ATOM 0 HH12 ARG A 22 8.929 12.565 2.421 1.00 10.13 H new ATOM 0 HH21 ARG A 22 5.773 12.957 3.942 1.00 72.34 H new ATOM 0 HH22 ARG A 22 7.298 12.066 3.950 1.00 72.34 H new ATOM 365 N THR A 23 6.025 19.776 4.057 1.00 11.25 N ATOM 366 CA THR A 23 6.239 20.032 5.476 1.00 23.32 C ATOM 367 C THR A 23 4.948 20.468 6.158 1.00 55.13 C ATOM 368 O THR A 23 4.784 20.298 7.366 1.00 41.45 O ATOM 369 CB THR A 23 7.313 21.114 5.696 1.00 23.20 C ATOM 370 OG1 THR A 23 6.744 22.414 5.509 1.00 50.33 O ATOM 371 CG2 THR A 23 8.479 20.922 4.737 1.00 11.15 C ATOM 0 H THR A 23 6.416 20.485 3.437 1.00 11.25 H new ATOM 0 HA THR A 23 6.581 19.096 5.917 1.00 23.32 H new ATOM 0 HB THR A 23 7.684 21.024 6.717 1.00 23.20 H new ATOM 0 HG1 THR A 23 6.804 22.664 4.563 1.00 50.33 H new ATOM 0 HG21 THR A 23 9.225 21.698 4.911 1.00 11.15 H new ATOM 0 HG22 THR A 23 8.928 19.943 4.902 1.00 11.15 H new ATOM 0 HG23 THR A 23 8.120 20.988 3.710 1.00 11.15 H new ATOM 379 N MET A 24 4.032 21.030 5.375 1.00 10.44 N ATOM 380 CA MET A 24 2.753 21.489 5.905 1.00 51.34 C ATOM 381 C MET A 24 1.719 20.368 5.878 1.00 65.33 C ATOM 382 O MET A 24 1.150 20.011 6.909 1.00 62.13 O ATOM 383 CB MET A 24 2.244 22.687 5.100 1.00 20.11 C ATOM 384 CG MET A 24 3.196 23.872 5.106 1.00 63.32 C ATOM 385 SD MET A 24 2.341 25.451 4.952 1.00 14.40 S ATOM 386 CE MET A 24 1.918 25.439 3.212 1.00 53.44 C ATOM 0 H MET A 24 4.152 21.178 4.373 1.00 10.44 H new ATOM 0 HA MET A 24 2.905 21.794 6.940 1.00 51.34 H new ATOM 0 HB2 MET A 24 2.072 22.375 4.070 1.00 20.11 H new ATOM 0 HB3 MET A 24 1.282 23.003 5.503 1.00 20.11 H new ATOM 0 HG2 MET A 24 3.773 23.865 6.031 1.00 63.32 H new ATOM 0 HG3 MET A 24 3.906 23.766 4.286 1.00 63.32 H new ATOM 0 HE1 MET A 24 1.117 26.154 3.027 1.00 53.44 H new ATOM 0 HE2 MET A 24 2.793 25.714 2.623 1.00 53.44 H new ATOM 0 HE3 MET A 24 1.587 24.441 2.925 1.00 53.44 H new ATOM 536 N ILE A 33 -0.837 17.173 -2.832 1.00 42.24 N ATOM 537 CA ILE A 33 -0.683 18.102 -1.720 1.00 14.32 C ATOM 538 C ILE A 33 -1.383 19.426 -2.009 1.00 12.05 C ATOM 539 O ILE A 33 -1.395 19.897 -3.145 1.00 41.52 O ATOM 540 CB ILE A 33 0.801 18.375 -1.415 1.00 3.22 C ATOM 541 CG1 ILE A 33 1.642 17.130 -1.706 1.00 54.35 C ATOM 542 CG2 ILE A 33 0.973 18.810 0.033 1.00 24.20 C ATOM 543 CD1 ILE A 33 3.106 17.296 -1.365 1.00 32.13 C ATOM 0 HA ILE A 33 -1.143 17.632 -0.851 1.00 14.32 H new ATOM 0 HB ILE A 33 1.146 19.183 -2.060 1.00 3.22 H new ATOM 0 HG12 ILE A 33 1.239 16.289 -1.141 1.00 54.35 H new ATOM 0 HG13 ILE A 33 1.550 16.878 -2.762 1.00 54.35 H new ATOM 0 HG21 ILE A 33 2.028 18.999 0.233 1.00 24.20 H new ATOM 0 HG22 ILE A 33 0.401 19.721 0.210 1.00 24.20 H new ATOM 0 HG23 ILE A 33 0.614 18.022 0.695 1.00 24.20 H new ATOM 0 HD11 ILE A 33 3.640 16.375 -1.597 1.00 32.13 H new ATOM 0 HD12 ILE A 33 3.525 18.116 -1.949 1.00 32.13 H new ATOM 0 HD13 ILE A 33 3.209 17.518 -0.303 1.00 32.13 H new ATOM 555 N GLN A 34 -1.964 20.021 -0.971 1.00 63.23 N ATOM 556 CA GLN A 34 -2.665 21.291 -1.114 1.00 3.40 C ATOM 557 C GLN A 34 -2.549 22.123 0.159 1.00 31.24 C ATOM 558 O GLN A 34 -2.629 21.594 1.268 1.00 33.31 O ATOM 559 CB GLN A 34 -4.138 21.051 -1.448 1.00 62.51 C ATOM 560 CG GLN A 34 -4.354 20.377 -2.794 1.00 13.14 C ATOM 561 CD GLN A 34 -4.431 18.867 -2.685 1.00 31.02 C ATOM 562 OE1 GLN A 34 -3.953 18.278 -1.715 1.00 63.21 O ATOM 563 NE2 GLN A 34 -5.035 18.231 -3.682 1.00 13.32 N ATOM 0 H GLN A 34 -1.963 19.644 -0.023 1.00 63.23 H new ATOM 0 HA GLN A 34 -2.200 21.843 -1.931 1.00 3.40 H new ATOM 0 HB2 GLN A 34 -4.584 20.435 -0.667 1.00 62.51 H new ATOM 0 HB3 GLN A 34 -4.664 22.006 -1.440 1.00 62.51 H new ATOM 0 HG2 GLN A 34 -5.275 20.753 -3.240 1.00 13.14 H new ATOM 0 HG3 GLN A 34 -3.540 20.648 -3.466 1.00 13.14 H new ATOM 0 HE21 GLN A 34 -5.417 18.759 -4.467 1.00 13.32 H new ATOM 0 HE22 GLN A 34 -5.117 17.214 -3.663 1.00 13.32 H new ATOM 572 N VAL A 35 -2.360 23.428 -0.007 1.00 61.00 N ATOM 573 CA VAL A 35 -2.234 24.333 1.129 1.00 0.20 C ATOM 574 C VAL A 35 -2.652 25.750 0.752 1.00 62.12 C ATOM 575 O VAL A 35 -2.517 26.164 -0.400 1.00 63.33 O ATOM 576 CB VAL A 35 -0.791 24.361 1.667 1.00 40.31 C ATOM 577 CG1 VAL A 35 -0.500 23.110 2.481 1.00 62.43 C ATOM 578 CG2 VAL A 35 0.201 24.506 0.523 1.00 50.12 C ATOM 0 H VAL A 35 -2.291 23.882 -0.918 1.00 61.00 H new ATOM 0 HA VAL A 35 -2.897 23.957 1.908 1.00 0.20 H new ATOM 0 HB VAL A 35 -0.683 25.225 2.323 1.00 40.31 H new ATOM 0 HG11 VAL A 35 0.524 23.148 2.853 1.00 62.43 H new ATOM 0 HG12 VAL A 35 -1.190 23.055 3.323 1.00 62.43 H new ATOM 0 HG13 VAL A 35 -0.625 22.229 1.851 1.00 62.43 H new ATOM 0 HG21 VAL A 35 1.215 24.524 0.921 1.00 50.12 H new ATOM 0 HG22 VAL A 35 0.094 23.663 -0.160 1.00 50.12 H new ATOM 0 HG23 VAL A 35 0.005 25.435 -0.013 1.00 50.12 H new ATOM 588 N THR A 36 -3.160 26.492 1.731 1.00 74.31 N ATOM 589 CA THR A 36 -3.599 27.863 1.502 1.00 31.43 C ATOM 590 C THR A 36 -2.423 28.832 1.553 1.00 75.30 C ATOM 591 O THR A 36 -1.381 28.529 2.134 1.00 11.12 O ATOM 592 CB THR A 36 -4.652 28.296 2.540 1.00 60.13 C ATOM 593 OG1 THR A 36 -4.250 27.880 3.849 1.00 24.44 O ATOM 594 CG2 THR A 36 -6.013 27.703 2.209 1.00 33.34 C ATOM 0 H THR A 36 -3.278 26.166 2.690 1.00 74.31 H new ATOM 0 HA THR A 36 -4.046 27.891 0.508 1.00 31.43 H new ATOM 0 HB THR A 36 -4.731 29.383 2.514 1.00 60.13 H new ATOM 0 HG1 THR A 36 -4.924 28.161 4.503 1.00 24.44 H new ATOM 0 HG21 THR A 36 -6.740 28.022 2.955 1.00 33.34 H new ATOM 0 HG22 THR A 36 -6.329 28.046 1.224 1.00 33.34 H new ATOM 0 HG23 THR A 36 -5.946 26.615 2.210 1.00 33.34 H new ATOM 602 N PHE A 37 -2.598 29.998 0.941 1.00 3.53 N ATOM 603 CA PHE A 37 -1.550 31.013 0.917 1.00 73.34 C ATOM 604 C PHE A 37 -1.132 31.397 2.333 1.00 50.12 C ATOM 605 O PHE A 37 0.056 31.473 2.642 1.00 43.31 O ATOM 606 CB PHE A 37 -2.030 32.253 0.160 1.00 43.11 C ATOM 607 CG PHE A 37 -1.204 33.478 0.432 1.00 65.33 C ATOM 608 CD1 PHE A 37 0.176 33.441 0.305 1.00 52.23 C ATOM 609 CD2 PHE A 37 -1.806 34.665 0.814 1.00 51.43 C ATOM 610 CE1 PHE A 37 0.938 34.566 0.555 1.00 2.40 C ATOM 611 CE2 PHE A 37 -1.049 35.794 1.065 1.00 42.10 C ATOM 612 CZ PHE A 37 0.325 35.745 0.934 1.00 22.44 C ATOM 0 H PHE A 37 -3.455 30.264 0.455 1.00 3.53 H new ATOM 0 HA PHE A 37 -0.685 30.594 0.403 1.00 73.34 H new ATOM 0 HB2 PHE A 37 -2.015 32.044 -0.910 1.00 43.11 H new ATOM 0 HB3 PHE A 37 -3.066 32.456 0.431 1.00 43.11 H new ATOM 0 HD1 PHE A 37 0.661 32.523 0.007 1.00 52.23 H new ATOM 0 HD2 PHE A 37 -2.880 34.709 0.917 1.00 51.43 H new ATOM 0 HE1 PHE A 37 2.012 34.524 0.454 1.00 2.40 H new ATOM 0 HE2 PHE A 37 -1.531 36.713 1.363 1.00 42.10 H new ATOM 0 HZ PHE A 37 0.919 36.626 1.127 1.00 22.44 H new ATOM 622 N GLY A 38 -2.119 31.639 3.190 1.00 12.21 N ATOM 623 CA GLY A 38 -1.834 32.014 4.563 1.00 75.50 C ATOM 624 C GLY A 38 -0.862 31.063 5.233 1.00 1.52 C ATOM 625 O GLY A 38 0.089 31.496 5.883 1.00 43.10 O ATOM 0 H GLY A 38 -3.111 31.582 2.958 1.00 12.21 H new ATOM 0 HA2 GLY A 38 -1.423 33.023 4.583 1.00 75.50 H new ATOM 0 HA3 GLY A 38 -2.764 32.038 5.131 1.00 75.50 H new ATOM 629 N GLU A 39 -1.102 29.765 5.076 1.00 3.43 N ATOM 630 CA GLU A 39 -0.240 28.752 5.674 1.00 10.31 C ATOM 631 C GLU A 39 1.137 28.753 5.017 1.00 62.20 C ATOM 632 O GLU A 39 2.163 28.759 5.699 1.00 41.33 O ATOM 633 CB GLU A 39 -0.878 27.368 5.545 1.00 32.44 C ATOM 634 CG GLU A 39 -1.947 27.091 6.589 1.00 32.40 C ATOM 635 CD GLU A 39 -2.400 25.644 6.590 1.00 34.41 C ATOM 636 OE1 GLU A 39 -1.684 24.798 6.014 1.00 33.12 O ATOM 637 OE2 GLU A 39 -3.470 25.357 7.166 1.00 35.22 O ATOM 0 H GLU A 39 -1.885 29.390 4.540 1.00 3.43 H new ATOM 0 HA GLU A 39 -0.119 28.991 6.731 1.00 10.31 H new ATOM 0 HB2 GLU A 39 -1.318 27.271 4.552 1.00 32.44 H new ATOM 0 HB3 GLU A 39 -0.099 26.609 5.624 1.00 32.44 H new ATOM 0 HG2 GLU A 39 -1.561 27.348 7.576 1.00 32.40 H new ATOM 0 HG3 GLU A 39 -2.806 27.737 6.405 1.00 32.40 H new ATOM 644 N LEU A 40 1.152 28.745 3.689 1.00 42.23 N ATOM 645 CA LEU A 40 2.403 28.744 2.938 1.00 52.24 C ATOM 646 C LEU A 40 3.287 29.917 3.350 1.00 32.24 C ATOM 647 O LEU A 40 4.477 29.747 3.617 1.00 34.14 O ATOM 648 CB LEU A 40 2.119 28.809 1.436 1.00 72.21 C ATOM 649 CG LEU A 40 2.541 27.587 0.620 1.00 61.42 C ATOM 650 CD1 LEU A 40 2.222 27.792 -0.853 1.00 22.01 C ATOM 651 CD2 LEU A 40 4.024 27.303 0.812 1.00 51.51 C ATOM 0 H LEU A 40 0.312 28.739 3.110 1.00 42.23 H new ATOM 0 HA LEU A 40 2.932 27.818 3.163 1.00 52.24 H new ATOM 0 HB2 LEU A 40 1.049 28.963 1.295 1.00 72.21 H new ATOM 0 HB3 LEU A 40 2.624 29.685 1.029 1.00 72.21 H new ATOM 0 HG LEU A 40 1.977 26.725 0.976 1.00 61.42 H new ATOM 0 HD11 LEU A 40 2.529 26.912 -1.418 1.00 22.01 H new ATOM 0 HD12 LEU A 40 1.150 27.945 -0.975 1.00 22.01 H new ATOM 0 HD13 LEU A 40 2.758 28.666 -1.223 1.00 22.01 H new ATOM 0 HD21 LEU A 40 4.306 26.430 0.224 1.00 51.51 H new ATOM 0 HD22 LEU A 40 4.605 28.165 0.484 1.00 51.51 H new ATOM 0 HD23 LEU A 40 4.224 27.110 1.866 1.00 51.51 H new ATOM 663 N PHE A 41 2.697 31.106 3.403 1.00 54.33 N ATOM 664 CA PHE A 41 3.430 32.307 3.784 1.00 1.54 C ATOM 665 C PHE A 41 3.940 32.200 5.219 1.00 42.54 C ATOM 666 O PHE A 41 5.128 32.388 5.482 1.00 62.32 O ATOM 667 CB PHE A 41 2.539 33.543 3.639 1.00 71.30 C ATOM 668 CG PHE A 41 3.305 34.834 3.602 1.00 23.11 C ATOM 669 CD1 PHE A 41 3.839 35.304 2.413 1.00 3.11 C ATOM 670 CD2 PHE A 41 3.491 35.578 4.756 1.00 24.41 C ATOM 671 CE1 PHE A 41 4.546 36.491 2.377 1.00 54.53 C ATOM 672 CE2 PHE A 41 4.197 36.766 4.726 1.00 54.12 C ATOM 673 CZ PHE A 41 4.723 37.224 3.534 1.00 4.01 C ATOM 0 H PHE A 41 1.713 31.264 3.187 1.00 54.33 H new ATOM 0 HA PHE A 41 4.287 32.406 3.118 1.00 1.54 H new ATOM 0 HB2 PHE A 41 1.952 33.452 2.725 1.00 71.30 H new ATOM 0 HB3 PHE A 41 1.834 33.572 4.470 1.00 71.30 H new ATOM 0 HD1 PHE A 41 3.701 34.737 1.504 1.00 3.11 H new ATOM 0 HD2 PHE A 41 3.079 35.225 5.690 1.00 24.41 H new ATOM 0 HE1 PHE A 41 4.960 36.845 1.444 1.00 54.53 H new ATOM 0 HE2 PHE A 41 4.337 37.335 5.633 1.00 54.12 H new ATOM 0 HZ PHE A 41 5.272 38.154 3.507 1.00 4.01 H new ATOM 683 N ASP A 42 3.034 31.899 6.141 1.00 34.24 N ATOM 684 CA ASP A 42 3.390 31.766 7.549 1.00 4.22 C ATOM 685 C ASP A 42 4.457 30.693 7.741 1.00 63.35 C ATOM 686 O ASP A 42 5.128 30.647 8.772 1.00 34.21 O ATOM 687 CB ASP A 42 2.153 31.427 8.381 1.00 33.32 C ATOM 688 CG ASP A 42 1.604 32.631 9.121 1.00 4.01 C ATOM 689 OD1 ASP A 42 1.645 33.744 8.556 1.00 4.20 O ATOM 690 OD2 ASP A 42 1.133 32.460 10.265 1.00 44.32 O ATOM 0 H ASP A 42 2.047 31.742 5.939 1.00 34.24 H new ATOM 0 HA ASP A 42 3.795 32.720 7.887 1.00 4.22 H new ATOM 0 HB2 ASP A 42 1.380 31.022 7.728 1.00 33.32 H new ATOM 0 HB3 ASP A 42 2.405 30.647 9.099 1.00 33.32 H new ATOM 695 N ARG A 43 4.608 29.831 6.740 1.00 22.33 N ATOM 696 CA ARG A 43 5.592 28.756 6.800 1.00 53.24 C ATOM 697 C ARG A 43 6.898 29.177 6.133 1.00 51.35 C ATOM 698 O ARG A 43 7.982 28.788 6.567 1.00 62.24 O ATOM 699 CB ARG A 43 5.045 27.497 6.124 1.00 15.34 C ATOM 700 CG ARG A 43 6.099 26.430 5.881 1.00 74.41 C ATOM 701 CD ARG A 43 6.794 26.029 7.172 1.00 21.44 C ATOM 702 NE ARG A 43 5.876 25.394 8.114 1.00 10.13 N ATOM 703 CZ ARG A 43 6.246 24.933 9.304 1.00 40.21 C ATOM 704 NH1 ARG A 43 7.509 25.036 9.695 1.00 53.10 N ATOM 705 NH2 ARG A 43 5.352 24.368 10.105 1.00 10.33 N ATOM 0 H ARG A 43 4.062 29.856 5.879 1.00 22.33 H new ATOM 0 HA ARG A 43 5.793 28.539 7.849 1.00 53.24 H new ATOM 0 HB2 ARG A 43 4.252 27.078 6.743 1.00 15.34 H new ATOM 0 HB3 ARG A 43 4.593 27.773 5.171 1.00 15.34 H new ATOM 0 HG2 ARG A 43 5.634 25.554 5.430 1.00 74.41 H new ATOM 0 HG3 ARG A 43 6.837 26.801 5.170 1.00 74.41 H new ATOM 0 HD2 ARG A 43 7.612 25.345 6.946 1.00 21.44 H new ATOM 0 HD3 ARG A 43 7.235 26.911 7.635 1.00 21.44 H new ATOM 0 HE ARG A 43 4.897 25.299 7.843 1.00 10.13 H new ATOM 0 HH11 ARG A 43 8.199 25.470 9.082 1.00 53.10 H new ATOM 0 HH12 ARG A 43 7.790 24.681 10.609 1.00 53.10 H new ATOM 0 HH21 ARG A 43 4.380 24.287 9.807 1.00 10.33 H new ATOM 0 HH22 ARG A 43 5.637 24.014 11.018 1.00 10.33 H new ATOM 719 N TYR A 44 6.786 29.974 5.076 1.00 40.04 N ATOM 720 CA TYR A 44 7.957 30.446 4.347 1.00 64.44 C ATOM 721 C TYR A 44 8.628 31.601 5.083 1.00 44.34 C ATOM 722 O TYR A 44 9.828 31.834 4.935 1.00 23.33 O ATOM 723 CB TYR A 44 7.563 30.885 2.936 1.00 42.24 C ATOM 724 CG TYR A 44 8.033 29.940 1.853 1.00 32.43 C ATOM 725 CD1 TYR A 44 9.277 30.099 1.256 1.00 5.15 C ATOM 726 CD2 TYR A 44 7.232 28.888 1.427 1.00 71.43 C ATOM 727 CE1 TYR A 44 9.711 29.238 0.267 1.00 53.13 C ATOM 728 CE2 TYR A 44 7.657 28.021 0.439 1.00 64.12 C ATOM 729 CZ TYR A 44 8.897 28.200 -0.138 1.00 43.32 C ATOM 730 OH TYR A 44 9.324 27.340 -1.124 1.00 22.13 O ATOM 0 H TYR A 44 5.896 30.307 4.705 1.00 40.04 H new ATOM 0 HA TYR A 44 8.667 29.622 4.278 1.00 64.44 H new ATOM 0 HB2 TYR A 44 6.478 30.974 2.882 1.00 42.24 H new ATOM 0 HB3 TYR A 44 7.974 31.876 2.745 1.00 42.24 H new ATOM 0 HD1 TYR A 44 9.916 30.910 1.571 1.00 5.15 H new ATOM 0 HD2 TYR A 44 6.260 28.745 1.876 1.00 71.43 H new ATOM 0 HE1 TYR A 44 10.681 29.376 -0.186 1.00 53.13 H new ATOM 0 HE2 TYR A 44 7.022 27.208 0.120 1.00 64.12 H new ATOM 0 HH TYR A 44 8.634 26.665 -1.291 1.00 22.13 H new ATOM 740 N VAL A 45 7.844 32.323 5.877 1.00 42.20 N ATOM 741 CA VAL A 45 8.361 33.454 6.639 1.00 52.15 C ATOM 742 C VAL A 45 9.524 33.032 7.529 1.00 62.33 C ATOM 743 O VAL A 45 10.401 33.836 7.846 1.00 55.24 O ATOM 744 CB VAL A 45 7.264 34.090 7.513 1.00 31.22 C ATOM 745 CG1 VAL A 45 6.194 34.733 6.644 1.00 32.24 C ATOM 746 CG2 VAL A 45 6.655 33.050 8.442 1.00 13.40 C ATOM 0 H VAL A 45 6.848 32.145 6.010 1.00 42.20 H new ATOM 0 HA VAL A 45 8.711 34.190 5.915 1.00 52.15 H new ATOM 0 HB VAL A 45 7.717 34.870 8.125 1.00 31.22 H new ATOM 0 HG11 VAL A 45 5.428 35.177 7.279 1.00 32.24 H new ATOM 0 HG12 VAL A 45 6.646 35.508 6.025 1.00 32.24 H new ATOM 0 HG13 VAL A 45 5.741 33.975 6.004 1.00 32.24 H new ATOM 0 HG21 VAL A 45 5.882 33.516 9.053 1.00 13.40 H new ATOM 0 HG22 VAL A 45 6.216 32.247 7.851 1.00 13.40 H new ATOM 0 HG23 VAL A 45 7.431 32.641 9.089 1.00 13.40 H new ATOM 756 N ARG A 46 9.526 31.764 7.929 1.00 42.33 N ATOM 757 CA ARG A 46 10.582 31.235 8.783 1.00 32.44 C ATOM 758 C ARG A 46 11.729 30.675 7.947 1.00 1.31 C ATOM 759 O ARG A 46 12.623 30.009 8.469 1.00 4.14 O ATOM 760 CB ARG A 46 10.026 30.143 9.700 1.00 13.52 C ATOM 761 CG ARG A 46 9.343 30.684 10.946 1.00 51.22 C ATOM 762 CD ARG A 46 8.509 29.614 11.633 1.00 51.21 C ATOM 763 NE ARG A 46 7.193 30.113 12.024 1.00 3.12 N ATOM 764 CZ ARG A 46 6.420 29.518 12.926 1.00 3.41 C ATOM 765 NH1 ARG A 46 6.829 28.410 13.527 1.00 64.40 N ATOM 766 NH2 ARG A 46 5.235 30.033 13.229 1.00 4.20 N ATOM 0 H ARG A 46 8.808 31.085 7.675 1.00 42.33 H new ATOM 0 HA ARG A 46 10.965 32.053 9.393 1.00 32.44 H new ATOM 0 HB2 ARG A 46 9.314 29.537 9.139 1.00 13.52 H new ATOM 0 HB3 ARG A 46 10.840 29.483 10.000 1.00 13.52 H new ATOM 0 HG2 ARG A 46 10.095 31.062 11.639 1.00 51.22 H new ATOM 0 HG3 ARG A 46 8.706 31.526 10.676 1.00 51.22 H new ATOM 0 HD2 ARG A 46 8.389 28.762 10.964 1.00 51.21 H new ATOM 0 HD3 ARG A 46 9.037 29.254 12.516 1.00 51.21 H new ATOM 0 HE ARG A 46 6.849 30.965 11.580 1.00 3.12 H new ATOM 0 HH11 ARG A 46 7.740 28.012 13.298 1.00 64.40 H new ATOM 0 HH12 ARG A 46 6.233 27.956 14.219 1.00 64.40 H new ATOM 0 HH21 ARG A 46 4.917 30.886 12.769 1.00 4.20 H new ATOM 0 HH22 ARG A 46 4.642 29.576 13.922 1.00 4.20 H new ATOM 780 N ILE A 47 11.696 30.950 6.648 1.00 51.34 N ATOM 781 CA ILE A 47 12.733 30.475 5.740 1.00 12.10 C ATOM 782 C ILE A 47 13.239 31.602 4.845 1.00 35.52 C ATOM 783 O ILE A 47 14.362 32.078 5.005 1.00 64.34 O ATOM 784 CB ILE A 47 12.222 29.322 4.856 1.00 51.32 C ATOM 785 CG1 ILE A 47 11.780 28.142 5.724 1.00 53.24 C ATOM 786 CG2 ILE A 47 13.301 28.890 3.874 1.00 75.11 C ATOM 787 CD1 ILE A 47 11.019 27.081 4.959 1.00 2.50 C ATOM 0 H ILE A 47 10.962 31.499 6.200 1.00 51.34 H new ATOM 0 HA ILE A 47 13.553 30.111 6.360 1.00 12.10 H new ATOM 0 HB ILE A 47 11.361 29.673 4.288 1.00 51.32 H new ATOM 0 HG12 ILE A 47 12.659 27.688 6.181 1.00 53.24 H new ATOM 0 HG13 ILE A 47 11.154 28.513 6.536 1.00 53.24 H new ATOM 0 HG21 ILE A 47 12.925 28.074 3.256 1.00 75.11 H new ATOM 0 HG22 ILE A 47 13.572 29.732 3.238 1.00 75.11 H new ATOM 0 HG23 ILE A 47 14.180 28.553 4.424 1.00 75.11 H new ATOM 0 HD11 ILE A 47 10.737 26.275 5.637 1.00 2.50 H new ATOM 0 HD12 ILE A 47 10.121 27.520 4.524 1.00 2.50 H new ATOM 0 HD13 ILE A 47 11.650 26.683 4.164 1.00 2.50 H new ATOM 799 N SER A 48 12.400 32.024 3.905 1.00 40.54 N ATOM 800 CA SER A 48 12.763 33.094 2.982 1.00 15.34 C ATOM 801 C SER A 48 11.736 34.222 3.029 1.00 43.35 C ATOM 802 O SER A 48 12.076 35.393 2.853 1.00 34.34 O ATOM 803 CB SER A 48 12.876 32.551 1.557 1.00 60.12 C ATOM 804 OG SER A 48 13.416 31.241 1.552 1.00 63.21 O ATOM 0 H SER A 48 11.465 31.642 3.762 1.00 40.54 H new ATOM 0 HA SER A 48 13.730 33.493 3.288 1.00 15.34 H new ATOM 0 HB2 SER A 48 11.892 32.544 1.088 1.00 60.12 H new ATOM 0 HB3 SER A 48 13.508 33.211 0.962 1.00 60.12 H new ATOM 0 HG SER A 48 14.317 31.257 1.938 1.00 63.21 H new ATOM 810 N ASP A 49 10.480 33.861 3.265 1.00 0.13 N ATOM 811 CA ASP A 49 9.403 34.842 3.336 1.00 71.41 C ATOM 812 C ASP A 49 9.133 35.452 1.964 1.00 4.53 C ATOM 813 O ASP A 49 9.303 36.655 1.764 1.00 43.31 O ATOM 814 CB ASP A 49 9.752 35.943 4.339 1.00 75.43 C ATOM 815 CG ASP A 49 8.519 36.586 4.943 1.00 3.34 C ATOM 816 OD1 ASP A 49 7.423 36.430 4.365 1.00 23.43 O ATOM 817 OD2 ASP A 49 8.651 37.246 5.995 1.00 12.22 O ATOM 0 H ASP A 49 10.182 32.896 3.410 1.00 0.13 H new ATOM 0 HA ASP A 49 8.500 34.331 3.670 1.00 71.41 H new ATOM 0 HB2 ASP A 49 10.367 35.524 5.135 1.00 75.43 H new ATOM 0 HB3 ASP A 49 10.351 36.707 3.843 1.00 75.43 H new ATOM 822 N LYS A 50 8.713 34.615 1.022 1.00 41.52 N ATOM 823 CA LYS A 50 8.420 35.072 -0.332 1.00 35.54 C ATOM 824 C LYS A 50 7.846 33.938 -1.175 1.00 60.45 C ATOM 825 O LYS A 50 8.167 33.805 -2.356 1.00 44.45 O ATOM 826 CB LYS A 50 9.685 35.623 -0.992 1.00 22.01 C ATOM 827 CG LYS A 50 10.737 34.563 -1.271 1.00 12.21 C ATOM 828 CD LYS A 50 12.019 34.834 -0.502 1.00 21.21 C ATOM 829 CE LYS A 50 12.673 36.133 -0.947 1.00 55.04 C ATOM 830 NZ LYS A 50 14.139 36.133 -0.689 1.00 1.53 N ATOM 0 H LYS A 50 8.568 33.616 1.171 1.00 41.52 H new ATOM 0 HA LYS A 50 7.677 35.867 -0.268 1.00 35.54 H new ATOM 0 HB2 LYS A 50 9.414 36.109 -1.929 1.00 22.01 H new ATOM 0 HB3 LYS A 50 10.116 36.390 -0.348 1.00 22.01 H new ATOM 0 HG2 LYS A 50 10.348 33.582 -0.998 1.00 12.21 H new ATOM 0 HG3 LYS A 50 10.952 34.534 -2.339 1.00 12.21 H new ATOM 0 HD2 LYS A 50 11.801 34.882 0.565 1.00 21.21 H new ATOM 0 HD3 LYS A 50 12.714 34.007 -0.648 1.00 21.21 H new ATOM 0 HE2 LYS A 50 12.492 36.285 -2.011 1.00 55.04 H new ATOM 0 HE3 LYS A 50 12.212 36.970 -0.422 1.00 55.04 H new ATOM 0 HZ1 LYS A 50 14.547 37.035 -1.006 1.00 1.53 H new ATOM 0 HZ2 LYS A 50 14.312 36.014 0.329 1.00 1.53 H new ATOM 0 HZ3 LYS A 50 14.583 35.350 -1.210 1.00 1.53 H new ATOM 844 N VAL A 51 6.994 33.122 -0.562 1.00 41.02 N ATOM 845 CA VAL A 51 6.374 32.001 -1.258 1.00 34.00 C ATOM 846 C VAL A 51 5.682 32.462 -2.536 1.00 12.12 C ATOM 847 O VAL A 51 5.825 31.843 -3.590 1.00 41.34 O ATOM 848 CB VAL A 51 5.347 31.283 -0.362 1.00 1.02 C ATOM 849 CG1 VAL A 51 4.336 32.275 0.193 1.00 3.01 C ATOM 850 CG2 VAL A 51 4.649 30.174 -1.135 1.00 2.12 C ATOM 0 H VAL A 51 6.718 33.217 0.415 1.00 41.02 H new ATOM 0 HA VAL A 51 7.174 31.305 -1.512 1.00 34.00 H new ATOM 0 HB VAL A 51 5.876 30.832 0.478 1.00 1.02 H new ATOM 0 HG11 VAL A 51 3.619 31.749 0.823 1.00 3.01 H new ATOM 0 HG12 VAL A 51 4.854 33.030 0.784 1.00 3.01 H new ATOM 0 HG13 VAL A 51 3.810 32.758 -0.631 1.00 3.01 H new ATOM 0 HG21 VAL A 51 3.927 29.677 -0.487 1.00 2.12 H new ATOM 0 HG22 VAL A 51 4.132 30.600 -1.995 1.00 2.12 H new ATOM 0 HG23 VAL A 51 5.387 29.449 -1.478 1.00 2.12 H new ATOM 860 N VAL A 52 4.931 33.554 -2.435 1.00 14.25 N ATOM 861 CA VAL A 52 4.217 34.100 -3.583 1.00 0.43 C ATOM 862 C VAL A 52 5.170 34.381 -4.739 1.00 72.13 C ATOM 863 O VAL A 52 4.813 34.216 -5.905 1.00 62.11 O ATOM 864 CB VAL A 52 3.475 35.400 -3.216 1.00 63.43 C ATOM 865 CG1 VAL A 52 2.952 36.087 -4.468 1.00 43.32 C ATOM 866 CG2 VAL A 52 2.342 35.109 -2.244 1.00 54.43 C ATOM 0 H VAL A 52 4.801 34.078 -1.570 1.00 14.25 H new ATOM 0 HA VAL A 52 3.489 33.349 -3.890 1.00 0.43 H new ATOM 0 HB VAL A 52 4.178 36.075 -2.727 1.00 63.43 H new ATOM 0 HG11 VAL A 52 2.431 37.003 -4.190 1.00 43.32 H new ATOM 0 HG12 VAL A 52 3.787 36.330 -5.125 1.00 43.32 H new ATOM 0 HG13 VAL A 52 2.263 35.421 -4.987 1.00 43.32 H new ATOM 0 HG21 VAL A 52 1.828 36.038 -1.995 1.00 54.43 H new ATOM 0 HG22 VAL A 52 1.637 34.416 -2.704 1.00 54.43 H new ATOM 0 HG23 VAL A 52 2.747 34.664 -1.335 1.00 54.43 H new ATOM 876 N GLY A 53 6.385 34.806 -4.408 1.00 3.11 N ATOM 877 CA GLY A 53 7.372 35.103 -5.430 1.00 73.32 C ATOM 878 C GLY A 53 7.891 33.854 -6.114 1.00 63.32 C ATOM 879 O GLY A 53 8.241 33.885 -7.294 1.00 65.53 O ATOM 0 H GLY A 53 6.704 34.950 -3.450 1.00 3.11 H new ATOM 0 HA2 GLY A 53 6.931 35.765 -6.175 1.00 73.32 H new ATOM 0 HA3 GLY A 53 8.207 35.641 -4.980 1.00 73.32 H new ATOM 883 N ILE A 54 7.943 32.753 -5.372 1.00 63.20 N ATOM 884 CA ILE A 54 8.425 31.489 -5.915 1.00 33.55 C ATOM 885 C ILE A 54 7.369 30.831 -6.797 1.00 50.41 C ATOM 886 O ILE A 54 7.691 30.211 -7.811 1.00 75.33 O ATOM 887 CB ILE A 54 8.822 30.510 -4.794 1.00 21.14 C ATOM 888 CG1 ILE A 54 9.907 31.127 -3.909 1.00 12.24 C ATOM 889 CG2 ILE A 54 9.300 29.192 -5.386 1.00 1.44 C ATOM 890 CD1 ILE A 54 9.672 30.917 -2.429 1.00 72.42 C ATOM 0 H ILE A 54 7.657 32.711 -4.394 1.00 63.20 H new ATOM 0 HA ILE A 54 9.305 31.719 -6.515 1.00 33.55 H new ATOM 0 HB ILE A 54 7.945 30.312 -4.177 1.00 21.14 H new ATOM 0 HG12 ILE A 54 10.872 30.699 -4.180 1.00 12.24 H new ATOM 0 HG13 ILE A 54 9.965 32.197 -4.111 1.00 12.24 H new ATOM 0 HG21 ILE A 54 9.577 28.511 -4.581 1.00 1.44 H new ATOM 0 HG22 ILE A 54 8.500 28.748 -5.978 1.00 1.44 H new ATOM 0 HG23 ILE A 54 10.166 29.372 -6.023 1.00 1.44 H new ATOM 0 HD11 ILE A 54 10.480 31.381 -1.863 1.00 72.42 H new ATOM 0 HD12 ILE A 54 8.723 31.370 -2.144 1.00 72.42 H new ATOM 0 HD13 ILE A 54 9.644 29.849 -2.213 1.00 72.42 H new ATOM 902 N LEU A 55 6.107 30.973 -6.406 1.00 44.31 N ATOM 903 CA LEU A 55 5.002 30.395 -7.163 1.00 2.22 C ATOM 904 C LEU A 55 5.081 30.794 -8.633 1.00 24.01 C ATOM 905 O LEU A 55 4.664 30.042 -9.513 1.00 44.13 O ATOM 906 CB LEU A 55 3.664 30.844 -6.572 1.00 63.53 C ATOM 907 CG LEU A 55 3.349 30.337 -5.164 1.00 54.14 C ATOM 908 CD1 LEU A 55 1.931 30.718 -4.765 1.00 44.34 C ATOM 909 CD2 LEU A 55 3.540 28.830 -5.085 1.00 31.45 C ATOM 0 H LEU A 55 5.824 31.483 -5.569 1.00 44.31 H new ATOM 0 HA LEU A 55 5.076 29.310 -7.096 1.00 2.22 H new ATOM 0 HB2 LEU A 55 3.643 31.934 -6.557 1.00 63.53 H new ATOM 0 HB3 LEU A 55 2.867 30.519 -7.241 1.00 63.53 H new ATOM 0 HG LEU A 55 4.041 30.808 -4.465 1.00 54.14 H new ATOM 0 HD11 LEU A 55 1.724 30.349 -3.760 1.00 44.34 H new ATOM 0 HD12 LEU A 55 1.827 31.803 -4.782 1.00 44.34 H new ATOM 0 HD13 LEU A 55 1.224 30.275 -5.467 1.00 44.34 H new ATOM 0 HD21 LEU A 55 3.311 28.487 -4.076 1.00 31.45 H new ATOM 0 HD22 LEU A 55 2.873 28.341 -5.795 1.00 31.45 H new ATOM 0 HD23 LEU A 55 4.573 28.581 -5.328 1.00 31.45 H new ATOM 921 N MET A 56 5.621 31.981 -8.891 1.00 22.25 N ATOM 922 CA MET A 56 5.758 32.478 -10.255 1.00 22.33 C ATOM 923 C MET A 56 6.567 31.506 -11.109 1.00 34.04 C ATOM 924 O MET A 56 6.332 31.378 -12.310 1.00 42.24 O ATOM 925 CB MET A 56 6.428 33.853 -10.254 1.00 52.34 C ATOM 926 CG MET A 56 5.539 34.962 -9.714 1.00 30.42 C ATOM 927 SD MET A 56 5.853 36.551 -10.505 1.00 14.44 S ATOM 928 CE MET A 56 4.970 37.656 -9.406 1.00 15.22 C ATOM 0 H MET A 56 5.971 32.616 -8.174 1.00 22.25 H new ATOM 0 HA MET A 56 4.760 32.568 -10.685 1.00 22.33 H new ATOM 0 HB2 MET A 56 7.338 33.804 -9.656 1.00 52.34 H new ATOM 0 HB3 MET A 56 6.728 34.102 -11.272 1.00 52.34 H new ATOM 0 HG2 MET A 56 4.494 34.688 -9.860 1.00 30.42 H new ATOM 0 HG3 MET A 56 5.696 35.058 -8.640 1.00 30.42 H new ATOM 0 HE1 MET A 56 5.070 38.681 -9.763 1.00 15.22 H new ATOM 0 HE2 MET A 56 3.916 37.381 -9.384 1.00 15.22 H new ATOM 0 HE3 MET A 56 5.386 37.579 -8.402 1.00 15.22 H new ATOM 938 N ARG A 57 7.519 30.824 -10.480 1.00 74.23 N ATOM 939 CA ARG A 57 8.362 29.865 -11.183 1.00 42.15 C ATOM 940 C ARG A 57 7.605 28.567 -11.449 1.00 41.25 C ATOM 941 O ARG A 57 7.567 28.080 -12.579 1.00 21.54 O ATOM 942 CB ARG A 57 9.626 29.574 -10.372 1.00 33.34 C ATOM 943 CG ARG A 57 10.449 28.419 -10.919 1.00 51.44 C ATOM 944 CD ARG A 57 11.650 28.123 -10.035 1.00 61.12 C ATOM 945 NE ARG A 57 12.765 27.565 -10.796 1.00 30.43 N ATOM 946 CZ ARG A 57 13.849 27.042 -10.234 1.00 3.13 C ATOM 947 NH1 ARG A 57 13.964 27.006 -8.913 1.00 52.13 N ATOM 948 NH2 ARG A 57 14.822 26.554 -10.993 1.00 74.51 N ATOM 0 H ARG A 57 7.725 30.918 -9.486 1.00 74.23 H new ATOM 0 HA ARG A 57 8.645 30.302 -12.140 1.00 42.15 H new ATOM 0 HB2 ARG A 57 10.246 30.470 -10.347 1.00 33.34 H new ATOM 0 HB3 ARG A 57 9.344 29.352 -9.343 1.00 33.34 H new ATOM 0 HG2 ARG A 57 9.824 27.529 -10.995 1.00 51.44 H new ATOM 0 HG3 ARG A 57 10.788 28.658 -11.927 1.00 51.44 H new ATOM 0 HD2 ARG A 57 11.971 29.040 -9.541 1.00 61.12 H new ATOM 0 HD3 ARG A 57 11.360 27.423 -9.251 1.00 61.12 H new ATOM 0 HE ARG A 57 12.708 27.578 -11.814 1.00 30.43 H new ATOM 0 HH11 ARG A 57 13.219 27.381 -8.326 1.00 52.13 H new ATOM 0 HH12 ARG A 57 14.798 26.604 -8.484 1.00 52.13 H new ATOM 0 HH21 ARG A 57 14.738 26.580 -12.009 1.00 74.51 H new ATOM 0 HH22 ARG A 57 15.654 26.153 -10.560 1.00 74.51 H new ATOM 962 N ALA A 58 7.004 28.013 -10.401 1.00 44.24 N ATOM 963 CA ALA A 58 6.247 26.773 -10.522 1.00 44.40 C ATOM 964 C ALA A 58 5.077 26.936 -11.486 1.00 12.54 C ATOM 965 O ALA A 58 4.677 25.986 -12.158 1.00 62.21 O ATOM 966 CB ALA A 58 5.750 26.324 -9.156 1.00 64.51 C ATOM 0 H ALA A 58 7.027 28.403 -9.459 1.00 44.24 H new ATOM 0 HA ALA A 58 6.911 26.008 -10.925 1.00 44.40 H new ATOM 0 HB1 ALA A 58 5.186 25.397 -9.261 1.00 64.51 H new ATOM 0 HB2 ALA A 58 6.601 26.159 -8.495 1.00 64.51 H new ATOM 0 HB3 ALA A 58 5.106 27.094 -8.732 1.00 64.51 H new ATOM 972 N ARG A 59 4.531 28.147 -11.547 1.00 31.42 N ATOM 973 CA ARG A 59 3.404 28.433 -12.427 1.00 25.01 C ATOM 974 C ARG A 59 3.818 28.324 -13.892 1.00 12.32 C ATOM 975 O ARG A 59 2.998 28.023 -14.759 1.00 74.40 O ATOM 976 CB ARG A 59 2.852 29.831 -12.144 1.00 54.14 C ATOM 977 CG ARG A 59 1.432 30.038 -12.647 1.00 62.22 C ATOM 978 CD ARG A 59 1.136 31.510 -12.889 1.00 73.42 C ATOM 979 NE ARG A 59 -0.298 31.770 -12.988 1.00 1.12 N ATOM 980 CZ ARG A 59 -0.808 32.913 -13.432 1.00 52.21 C ATOM 981 NH1 ARG A 59 -0.006 33.896 -13.817 1.00 62.01 N ATOM 982 NH2 ARG A 59 -2.124 33.075 -13.493 1.00 21.35 N ATOM 0 H ARG A 59 4.851 28.945 -10.998 1.00 31.42 H new ATOM 0 HA ARG A 59 2.625 27.696 -12.232 1.00 25.01 H new ATOM 0 HB2 ARG A 59 2.878 30.012 -11.069 1.00 54.14 H new ATOM 0 HB3 ARG A 59 3.504 30.571 -12.608 1.00 54.14 H new ATOM 0 HG2 ARG A 59 1.287 29.480 -13.572 1.00 62.22 H new ATOM 0 HG3 ARG A 59 0.725 29.638 -11.920 1.00 62.22 H new ATOM 0 HD2 ARG A 59 1.557 32.103 -12.077 1.00 73.42 H new ATOM 0 HD3 ARG A 59 1.627 31.833 -13.807 1.00 73.42 H new ATOM 0 HE ARG A 59 -0.943 31.034 -12.700 1.00 1.12 H new ATOM 0 HH11 ARG A 59 1.006 33.776 -13.773 1.00 62.01 H new ATOM 0 HH12 ARG A 59 -0.401 34.773 -14.158 1.00 62.01 H new ATOM 0 HH21 ARG A 59 -2.745 32.321 -13.199 1.00 21.35 H new ATOM 0 HH22 ARG A 59 -2.514 33.953 -13.834 1.00 21.35 H new ATOM 996 N LYS A 60 5.095 28.573 -14.161 1.00 21.43 N ATOM 997 CA LYS A 60 5.619 28.502 -15.520 1.00 0.34 C ATOM 998 C LYS A 60 5.258 27.172 -16.174 1.00 1.52 C ATOM 999 O LYS A 60 5.041 27.103 -17.384 1.00 41.20 O ATOM 1000 CB LYS A 60 7.139 28.683 -15.512 1.00 54.42 C ATOM 1001 CG LYS A 60 7.586 30.047 -15.015 1.00 42.24 C ATOM 1002 CD LYS A 60 7.783 31.022 -16.164 1.00 52.21 C ATOM 1003 CE LYS A 60 6.829 32.203 -16.063 1.00 21.33 C ATOM 1004 NZ LYS A 60 7.483 33.480 -16.462 1.00 32.21 N ATOM 0 H LYS A 60 5.787 28.826 -13.455 1.00 21.43 H new ATOM 0 HA LYS A 60 5.166 29.306 -16.100 1.00 0.34 H new ATOM 0 HB2 LYS A 60 7.585 27.912 -14.883 1.00 54.42 H new ATOM 0 HB3 LYS A 60 7.520 28.531 -16.522 1.00 54.42 H new ATOM 0 HG2 LYS A 60 6.844 30.444 -14.323 1.00 42.24 H new ATOM 0 HG3 LYS A 60 8.518 29.945 -14.459 1.00 42.24 H new ATOM 0 HD2 LYS A 60 8.812 31.383 -16.164 1.00 52.21 H new ATOM 0 HD3 LYS A 60 7.626 30.506 -17.111 1.00 52.21 H new ATOM 0 HE2 LYS A 60 5.962 32.025 -16.699 1.00 21.33 H new ATOM 0 HE3 LYS A 60 6.462 32.287 -15.040 1.00 21.33 H new ATOM 0 HZ1 LYS A 60 6.800 34.260 -16.379 1.00 32.21 H new ATOM 0 HZ2 LYS A 60 8.295 33.663 -15.839 1.00 32.21 H new ATOM 0 HZ3 LYS A 60 7.811 33.409 -17.447 1.00 32.21 H new ATOM 1018 N HIS A 61 5.194 26.119 -15.366 1.00 22.30 N ATOM 1019 CA HIS A 61 4.857 24.791 -15.867 1.00 21.13 C ATOM 1020 C HIS A 61 3.520 24.321 -15.302 1.00 70.41 C ATOM 1021 O HIS A 61 3.293 23.123 -15.132 1.00 43.50 O ATOM 1022 CB HIS A 61 5.957 23.792 -15.505 1.00 35.03 C ATOM 1023 CG HIS A 61 7.252 24.045 -16.212 1.00 61.44 C ATOM 1024 ND1 HIS A 61 7.342 24.771 -17.381 1.00 2.22 N ATOM 1025 CD2 HIS A 61 8.515 23.664 -15.909 1.00 62.05 C ATOM 1026 CE1 HIS A 61 8.604 24.825 -17.767 1.00 4.20 C ATOM 1027 NE2 HIS A 61 9.337 24.161 -16.891 1.00 12.31 N ATOM 0 H HIS A 61 5.371 26.159 -14.362 1.00 22.30 H new ATOM 0 HA HIS A 61 4.773 24.849 -16.952 1.00 21.13 H new ATOM 0 HB2 HIS A 61 6.127 23.826 -14.429 1.00 35.03 H new ATOM 0 HB3 HIS A 61 5.614 22.785 -15.742 1.00 35.03 H new ATOM 0 HD2 HIS A 61 8.820 23.078 -15.054 1.00 62.05 H new ATOM 0 HE1 HIS A 61 8.974 25.327 -18.649 1.00 4.20 H new ATOM 0 HE2 HIS A 61 10.348 24.038 -16.936 1.00 12.31 H new ATOM 1035 N GLY A 62 2.637 25.272 -15.013 1.00 5.24 N ATOM 1036 CA GLY A 62 1.335 24.935 -14.469 1.00 53.24 C ATOM 1037 C GLY A 62 1.430 24.070 -13.228 1.00 41.41 C ATOM 1038 O GLY A 62 1.058 22.896 -13.250 1.00 13.50 O ATOM 0 H GLY A 62 2.800 26.270 -15.146 1.00 5.24 H new ATOM 0 HA2 GLY A 62 0.797 25.852 -14.228 1.00 53.24 H new ATOM 0 HA3 GLY A 62 0.752 24.413 -15.228 1.00 53.24 H new ATOM 1042 N LEU A 63 1.931 24.650 -12.143 1.00 25.42 N ATOM 1043 CA LEU A 63 2.077 23.923 -10.886 1.00 13.41 C ATOM 1044 C LEU A 63 1.144 24.489 -9.819 1.00 61.25 C ATOM 1045 O LEU A 63 0.721 23.777 -8.909 1.00 22.33 O ATOM 1046 CB LEU A 63 3.526 23.990 -10.400 1.00 54.10 C ATOM 1047 CG LEU A 63 3.844 23.202 -9.129 1.00 43.00 C ATOM 1048 CD1 LEU A 63 3.420 23.984 -7.896 1.00 5.24 C ATOM 1049 CD2 LEU A 63 3.163 21.842 -9.160 1.00 61.41 C ATOM 0 H LEU A 63 2.243 25.621 -12.108 1.00 25.42 H new ATOM 0 HA LEU A 63 1.808 22.882 -11.063 1.00 13.41 H new ATOM 0 HB2 LEU A 63 4.173 23.629 -11.199 1.00 54.10 H new ATOM 0 HB3 LEU A 63 3.783 25.035 -10.229 1.00 54.10 H new ATOM 0 HG LEU A 63 4.922 23.045 -9.082 1.00 43.00 H new ATOM 0 HD11 LEU A 63 3.654 23.407 -7.001 1.00 5.24 H new ATOM 0 HD12 LEU A 63 3.954 24.934 -7.866 1.00 5.24 H new ATOM 0 HD13 LEU A 63 2.347 24.172 -7.936 1.00 5.24 H new ATOM 0 HD21 LEU A 63 3.401 21.295 -8.247 1.00 61.41 H new ATOM 0 HD22 LEU A 63 2.084 21.977 -9.232 1.00 61.41 H new ATOM 0 HD23 LEU A 63 3.516 21.278 -10.023 1.00 61.41 H new ATOM 1061 N VAL A 64 0.826 25.774 -9.940 1.00 75.32 N ATOM 1062 CA VAL A 64 -0.060 26.434 -8.989 1.00 1.52 C ATOM 1063 C VAL A 64 -1.347 26.895 -9.664 1.00 43.22 C ATOM 1064 O VAL A 64 -1.317 27.686 -10.608 1.00 2.03 O ATOM 1065 CB VAL A 64 0.626 27.648 -8.333 1.00 72.13 C ATOM 1066 CG1 VAL A 64 1.743 27.194 -7.407 1.00 24.12 C ATOM 1067 CG2 VAL A 64 1.156 28.598 -9.396 1.00 42.13 C ATOM 0 H VAL A 64 1.169 26.378 -10.687 1.00 75.32 H new ATOM 0 HA VAL A 64 -0.300 25.701 -8.219 1.00 1.52 H new ATOM 0 HB VAL A 64 -0.113 28.183 -7.736 1.00 72.13 H new ATOM 0 HG11 VAL A 64 2.216 28.065 -6.953 1.00 24.12 H new ATOM 0 HG12 VAL A 64 1.331 26.556 -6.625 1.00 24.12 H new ATOM 0 HG13 VAL A 64 2.484 26.635 -7.978 1.00 24.12 H new ATOM 0 HG21 VAL A 64 1.637 29.450 -8.915 1.00 42.13 H new ATOM 0 HG22 VAL A 64 1.881 28.077 -10.021 1.00 42.13 H new ATOM 0 HG23 VAL A 64 0.330 28.949 -10.014 1.00 42.13 H new ATOM 1077 N HIS A 65 -2.477 26.396 -9.175 1.00 32.34 N ATOM 1078 CA HIS A 65 -3.776 26.757 -9.730 1.00 55.13 C ATOM 1079 C HIS A 65 -4.305 28.036 -9.088 1.00 52.12 C ATOM 1080 O HIS A 65 -5.434 28.452 -9.348 1.00 55.30 O ATOM 1081 CB HIS A 65 -4.777 25.619 -9.526 1.00 24.21 C ATOM 1082 CG HIS A 65 -5.635 25.354 -10.724 1.00 73.40 C ATOM 1083 ND1 HIS A 65 -6.350 24.187 -10.895 1.00 23.45 N ATOM 1084 CD2 HIS A 65 -5.894 26.114 -11.814 1.00 25.31 C ATOM 1085 CE1 HIS A 65 -7.009 24.239 -12.038 1.00 42.52 C ATOM 1086 NE2 HIS A 65 -6.749 25.399 -12.615 1.00 74.13 N ATOM 0 H HIS A 65 -2.519 25.740 -8.395 1.00 32.34 H new ATOM 0 HA HIS A 65 -3.650 26.932 -10.798 1.00 55.13 H new ATOM 0 HB2 HIS A 65 -4.233 24.709 -9.270 1.00 24.21 H new ATOM 0 HB3 HIS A 65 -5.417 25.857 -8.676 1.00 24.21 H new ATOM 0 HD2 HIS A 65 -5.501 27.100 -12.016 1.00 25.31 H new ATOM 0 HE1 HIS A 65 -7.651 23.466 -12.434 1.00 42.52 H new ATOM 0 HE2 HIS A 65 -7.123 25.712 -13.511 1.00 74.13 H new ATOM 1094 N PHE A 66 -3.482 28.655 -8.248 1.00 71.22 N ATOM 1095 CA PHE A 66 -3.868 29.885 -7.567 1.00 44.55 C ATOM 1096 C PHE A 66 -4.279 30.957 -8.573 1.00 10.12 C ATOM 1097 O PHE A 66 -3.945 30.875 -9.754 1.00 63.11 O ATOM 1098 CB PHE A 66 -2.714 30.398 -6.702 1.00 71.44 C ATOM 1099 CG PHE A 66 -1.720 31.230 -7.461 1.00 10.14 C ATOM 1100 CD1 PHE A 66 -1.186 30.777 -8.656 1.00 4.20 C ATOM 1101 CD2 PHE A 66 -1.320 32.465 -6.977 1.00 45.55 C ATOM 1102 CE1 PHE A 66 -0.271 31.541 -9.356 1.00 61.14 C ATOM 1103 CE2 PHE A 66 -0.406 33.234 -7.674 1.00 24.34 C ATOM 1104 CZ PHE A 66 0.120 32.770 -8.864 1.00 3.42 C ATOM 0 H PHE A 66 -2.544 28.325 -8.023 1.00 71.22 H new ATOM 0 HA PHE A 66 -4.722 29.664 -6.927 1.00 44.55 H new ATOM 0 HB2 PHE A 66 -3.120 30.990 -5.882 1.00 71.44 H new ATOM 0 HB3 PHE A 66 -2.199 29.547 -6.256 1.00 71.44 H new ATOM 0 HD1 PHE A 66 -1.488 29.816 -9.045 1.00 4.20 H new ATOM 0 HD2 PHE A 66 -1.726 32.831 -6.046 1.00 45.55 H new ATOM 0 HE1 PHE A 66 0.138 31.177 -10.287 1.00 61.14 H new ATOM 0 HE2 PHE A 66 -0.104 34.196 -7.288 1.00 24.34 H new ATOM 0 HZ PHE A 66 0.836 33.368 -9.409 1.00 3.42 H new ATOM 1168 N LEU A 71 -0.488 37.533 -3.976 1.00 22.44 N ATOM 1169 CA LEU A 71 -1.364 37.322 -2.828 1.00 50.54 C ATOM 1170 C LEU A 71 -0.909 38.157 -1.636 1.00 11.34 C ATOM 1171 O LEU A 71 0.223 38.028 -1.171 1.00 24.32 O ATOM 1172 CB LEU A 71 -1.392 35.841 -2.448 1.00 11.24 C ATOM 1173 CG LEU A 71 -1.538 34.853 -3.605 1.00 54.35 C ATOM 1174 CD1 LEU A 71 -1.776 33.446 -3.080 1.00 14.22 C ATOM 1175 CD2 LEU A 71 -2.671 35.278 -4.529 1.00 43.12 C ATOM 0 HA LEU A 71 -2.370 37.638 -3.106 1.00 50.54 H new ATOM 0 HB2 LEU A 71 -0.473 35.607 -1.911 1.00 11.24 H new ATOM 0 HB3 LEU A 71 -2.217 35.680 -1.753 1.00 11.24 H new ATOM 0 HG LEU A 71 -0.610 34.853 -4.176 1.00 54.35 H new ATOM 0 HD11 LEU A 71 -1.877 32.757 -3.919 1.00 14.22 H new ATOM 0 HD12 LEU A 71 -0.933 33.141 -2.460 1.00 14.22 H new ATOM 0 HD13 LEU A 71 -2.689 33.429 -2.484 1.00 14.22 H new ATOM 0 HD21 LEU A 71 -2.761 34.563 -5.347 1.00 43.12 H new ATOM 0 HD22 LEU A 71 -3.606 35.308 -3.969 1.00 43.12 H new ATOM 0 HD23 LEU A 71 -2.459 36.268 -4.933 1.00 43.12 H new ATOM 1187 N TRP A 72 -1.799 39.011 -1.144 1.00 54.43 N ATOM 1188 CA TRP A 72 -1.490 39.866 -0.004 1.00 2.04 C ATOM 1189 C TRP A 72 -1.861 39.181 1.307 1.00 74.22 C ATOM 1190 O TRP A 72 -3.024 38.847 1.534 1.00 1.21 O ATOM 1191 CB TRP A 72 -2.229 41.200 -0.124 1.00 32.44 C ATOM 1192 CG TRP A 72 -1.950 41.920 -1.408 1.00 4.33 C ATOM 1193 CD1 TRP A 72 -2.870 42.409 -2.291 1.00 21.53 C ATOM 1194 CD2 TRP A 72 -0.663 42.232 -1.953 1.00 21.21 C ATOM 1195 NE1 TRP A 72 -2.233 43.005 -3.352 1.00 62.21 N ATOM 1196 CE2 TRP A 72 -0.879 42.910 -3.168 1.00 43.53 C ATOM 1197 CE3 TRP A 72 0.650 42.005 -1.532 1.00 2.40 C ATOM 1198 CZ2 TRP A 72 0.170 43.362 -3.965 1.00 2.13 C ATOM 1199 CZ3 TRP A 72 1.690 42.454 -2.324 1.00 2.03 C ATOM 1200 CH2 TRP A 72 1.446 43.127 -3.528 1.00 73.34 C ATOM 0 H TRP A 72 -2.741 39.130 -1.517 1.00 54.43 H new ATOM 0 HA TRP A 72 -0.416 40.053 -0.003 1.00 2.04 H new ATOM 0 HB2 TRP A 72 -3.301 41.022 -0.041 1.00 32.44 H new ATOM 0 HB3 TRP A 72 -1.947 41.840 0.712 1.00 32.44 H new ATOM 0 HD1 TRP A 72 -3.941 42.338 -2.172 1.00 21.53 H new ATOM 0 HE1 TRP A 72 -2.694 43.447 -4.148 1.00 62.21 H new ATOM 0 HE3 TRP A 72 0.849 41.488 -0.605 1.00 2.40 H new ATOM 0 HZ2 TRP A 72 -0.016 43.879 -4.894 1.00 2.13 H new ATOM 0 HZ3 TRP A 72 2.709 42.283 -2.009 1.00 2.03 H new ATOM 0 HH2 TRP A 72 2.281 43.467 -4.123 1.00 73.34 H new ATOM 1211 N GLN A 73 -0.867 38.974 2.164 1.00 12.44 N ATOM 1212 CA GLN A 73 -1.092 38.328 3.452 1.00 23.00 C ATOM 1213 C GLN A 73 -2.233 39.001 4.207 1.00 30.13 C ATOM 1214 O GLN A 73 -2.249 40.220 4.371 1.00 40.14 O ATOM 1215 CB GLN A 73 0.185 38.365 4.294 1.00 33.23 C ATOM 1216 CG GLN A 73 0.118 37.493 5.538 1.00 2.20 C ATOM 1217 CD GLN A 73 -0.352 38.256 6.761 1.00 45.11 C ATOM 1218 OE1 GLN A 73 -1.403 37.957 7.328 1.00 63.50 O ATOM 1219 NE2 GLN A 73 0.427 39.249 7.175 1.00 41.03 N ATOM 0 H GLN A 73 0.101 39.244 1.990 1.00 12.44 H new ATOM 0 HA GLN A 73 -1.367 37.290 3.267 1.00 23.00 H new ATOM 0 HB2 GLN A 73 1.025 38.043 3.679 1.00 33.23 H new ATOM 0 HB3 GLN A 73 0.384 39.394 4.592 1.00 33.23 H new ATOM 0 HG2 GLN A 73 -0.557 36.657 5.355 1.00 2.20 H new ATOM 0 HG3 GLN A 73 1.103 37.071 5.734 1.00 2.20 H new ATOM 0 HE21 GLN A 73 1.290 39.463 6.675 1.00 41.03 H new ATOM 0 HE22 GLN A 73 0.162 39.798 7.993 1.00 41.03 H new ATOM 1228 N GLY A 74 -3.188 38.197 4.666 1.00 2.11 N ATOM 1229 CA GLY A 74 -4.320 38.733 5.398 1.00 14.13 C ATOM 1230 C GLY A 74 -5.472 39.111 4.489 1.00 55.04 C ATOM 1231 O GLY A 74 -6.566 39.426 4.957 1.00 14.34 O ATOM 0 H GLY A 74 -3.197 37.184 4.544 1.00 2.11 H new ATOM 0 HA2 GLY A 74 -4.661 37.995 6.124 1.00 14.13 H new ATOM 0 HA3 GLY A 74 -4.002 39.611 5.961 1.00 14.13 H new ATOM 1235 N LYS A 75 -5.228 39.081 3.183 1.00 44.50 N ATOM 1236 CA LYS A 75 -6.252 39.424 2.204 1.00 74.21 C ATOM 1237 C LYS A 75 -6.487 38.269 1.235 1.00 20.04 C ATOM 1238 O LYS A 75 -7.620 37.826 1.046 1.00 41.14 O ATOM 1239 CB LYS A 75 -5.847 40.679 1.428 1.00 1.34 C ATOM 1240 CG LYS A 75 -5.329 41.800 2.313 1.00 12.13 C ATOM 1241 CD LYS A 75 -6.422 42.348 3.216 1.00 21.20 C ATOM 1242 CE LYS A 75 -6.725 43.805 2.903 1.00 73.12 C ATOM 1243 NZ LYS A 75 -7.975 44.267 3.568 1.00 71.41 N ATOM 0 H LYS A 75 -4.328 38.822 2.778 1.00 44.50 H new ATOM 0 HA LYS A 75 -7.180 39.620 2.741 1.00 74.21 H new ATOM 0 HB2 LYS A 75 -5.078 40.415 0.702 1.00 1.34 H new ATOM 0 HB3 LYS A 75 -6.707 41.040 0.864 1.00 1.34 H new ATOM 0 HG2 LYS A 75 -4.503 41.432 2.922 1.00 12.13 H new ATOM 0 HG3 LYS A 75 -4.933 42.603 1.691 1.00 12.13 H new ATOM 0 HD2 LYS A 75 -7.327 41.753 3.096 1.00 21.20 H new ATOM 0 HD3 LYS A 75 -6.116 42.255 4.258 1.00 21.20 H new ATOM 0 HE2 LYS A 75 -5.890 44.427 3.226 1.00 73.12 H new ATOM 0 HE3 LYS A 75 -6.819 43.933 1.825 1.00 73.12 H new ATOM 0 HZ1 LYS A 75 -8.147 45.265 3.330 1.00 71.41 H new ATOM 0 HZ2 LYS A 75 -8.776 43.690 3.241 1.00 71.41 H new ATOM 0 HZ3 LYS A 75 -7.876 44.169 4.599 1.00 71.41 H new ATOM 1257 N ASP A 76 -5.410 37.785 0.627 1.00 42.21 N ATOM 1258 CA ASP A 76 -5.498 36.680 -0.320 1.00 74.31 C ATOM 1259 C ASP A 76 -5.232 35.347 0.374 1.00 53.34 C ATOM 1260 O ASP A 76 -5.003 34.330 -0.281 1.00 50.21 O ATOM 1261 CB ASP A 76 -4.504 36.880 -1.465 1.00 54.21 C ATOM 1262 CG ASP A 76 -5.090 37.690 -2.605 1.00 73.53 C ATOM 1263 OD1 ASP A 76 -5.822 37.106 -3.432 1.00 64.11 O ATOM 1264 OD2 ASP A 76 -4.817 38.906 -2.671 1.00 42.54 O ATOM 0 H ASP A 76 -4.465 38.141 0.773 1.00 42.21 H new ATOM 0 HA ASP A 76 -6.509 36.663 -0.727 1.00 74.31 H new ATOM 0 HB2 ASP A 76 -3.614 37.382 -1.086 1.00 54.21 H new ATOM 0 HB3 ASP A 76 -4.186 35.907 -1.840 1.00 54.21 H new ATOM 1269 N ASP A 77 -5.263 35.361 1.702 1.00 54.15 N ATOM 1270 CA ASP A 77 -5.026 34.154 2.484 1.00 24.05 C ATOM 1271 C ASP A 77 -5.994 33.046 2.083 1.00 53.12 C ATOM 1272 O ASP A 77 -5.697 31.861 2.237 1.00 13.04 O ATOM 1273 CB ASP A 77 -5.165 34.453 3.978 1.00 43.41 C ATOM 1274 CG ASP A 77 -6.603 34.705 4.386 1.00 22.04 C ATOM 1275 OD1 ASP A 77 -7.177 35.720 3.941 1.00 43.51 O ATOM 1276 OD2 ASP A 77 -7.154 33.887 5.152 1.00 32.24 O ATOM 0 H ASP A 77 -5.450 36.195 2.259 1.00 54.15 H new ATOM 0 HA ASP A 77 -4.010 33.814 2.282 1.00 24.05 H new ATOM 0 HB2 ASP A 77 -4.769 33.615 4.552 1.00 43.41 H new ATOM 0 HB3 ASP A 77 -4.561 35.325 4.229 1.00 43.41 H new ATOM 1281 N HIS A 78 -7.155 33.440 1.567 1.00 23.33 N ATOM 1282 CA HIS A 78 -8.168 32.480 1.144 1.00 61.33 C ATOM 1283 C HIS A 78 -7.698 31.698 -0.079 1.00 62.41 C ATOM 1284 O HIS A 78 -8.203 30.612 -0.366 1.00 43.24 O ATOM 1285 CB HIS A 78 -9.481 33.197 0.831 1.00 53.22 C ATOM 1286 CG HIS A 78 -9.434 34.012 -0.425 1.00 73.11 C ATOM 1287 ND1 HIS A 78 -8.848 35.258 -0.492 1.00 52.31 N ATOM 1288 CD2 HIS A 78 -9.903 33.751 -1.668 1.00 13.03 C ATOM 1289 CE1 HIS A 78 -8.960 35.730 -1.721 1.00 74.41 C ATOM 1290 NE2 HIS A 78 -9.596 34.834 -2.454 1.00 74.14 N ATOM 0 H HIS A 78 -7.417 34.417 1.432 1.00 23.33 H new ATOM 0 HA HIS A 78 -8.332 31.778 1.962 1.00 61.33 H new ATOM 0 HB2 HIS A 78 -10.277 32.458 0.745 1.00 53.22 H new ATOM 0 HB3 HIS A 78 -9.738 33.847 1.667 1.00 53.22 H new ATOM 0 HD1 HIS A 78 -8.398 35.740 0.286 1.00 52.31 H new ATOM 0 HD2 HIS A 78 -10.422 32.858 -1.983 1.00 13.03 H new ATOM 0 HE1 HIS A 78 -8.594 36.685 -2.067 1.00 74.41 H new ATOM 1298 N VAL A 79 -6.728 32.257 -0.797 1.00 35.24 N ATOM 1299 CA VAL A 79 -6.190 31.612 -1.988 1.00 71.12 C ATOM 1300 C VAL A 79 -5.692 30.206 -1.674 1.00 64.34 C ATOM 1301 O VAL A 79 -4.737 30.028 -0.918 1.00 2.21 O ATOM 1302 CB VAL A 79 -5.035 32.430 -2.596 1.00 54.21 C ATOM 1303 CG1 VAL A 79 -4.393 31.673 -3.748 1.00 41.13 C ATOM 1304 CG2 VAL A 79 -5.532 33.793 -3.054 1.00 54.12 C ATOM 0 H VAL A 79 -6.299 33.155 -0.574 1.00 35.24 H new ATOM 0 HA VAL A 79 -7.004 31.553 -2.711 1.00 71.12 H new ATOM 0 HB VAL A 79 -4.278 32.584 -1.827 1.00 54.21 H new ATOM 0 HG11 VAL A 79 -3.579 32.267 -4.165 1.00 41.13 H new ATOM 0 HG12 VAL A 79 -4.000 30.723 -3.385 1.00 41.13 H new ATOM 0 HG13 VAL A 79 -5.139 31.486 -4.521 1.00 41.13 H new ATOM 0 HG21 VAL A 79 -4.703 34.358 -3.481 1.00 54.12 H new ATOM 0 HG22 VAL A 79 -6.309 33.663 -3.808 1.00 54.12 H new ATOM 0 HG23 VAL A 79 -5.941 34.336 -2.202 1.00 54.12 H new ATOM 1314 N VAL A 80 -6.344 29.208 -2.261 1.00 75.44 N ATOM 1315 CA VAL A 80 -5.967 27.816 -2.046 1.00 61.11 C ATOM 1316 C VAL A 80 -4.981 27.343 -3.108 1.00 41.35 C ATOM 1317 O VAL A 80 -5.297 27.326 -4.299 1.00 25.24 O ATOM 1318 CB VAL A 80 -7.199 26.892 -2.058 1.00 32.24 C ATOM 1319 CG1 VAL A 80 -6.774 25.434 -1.971 1.00 73.24 C ATOM 1320 CG2 VAL A 80 -8.143 27.249 -0.919 1.00 70.13 C ATOM 0 H VAL A 80 -7.137 29.338 -2.890 1.00 75.44 H new ATOM 0 HA VAL A 80 -5.493 27.765 -1.066 1.00 61.11 H new ATOM 0 HB VAL A 80 -7.730 27.035 -2.999 1.00 32.24 H new ATOM 0 HG11 VAL A 80 -7.658 24.796 -1.981 1.00 73.24 H new ATOM 0 HG12 VAL A 80 -6.140 25.188 -2.823 1.00 73.24 H new ATOM 0 HG13 VAL A 80 -6.219 25.271 -1.047 1.00 73.24 H new ATOM 0 HG21 VAL A 80 -9.008 26.586 -0.942 1.00 70.13 H new ATOM 0 HG22 VAL A 80 -7.624 27.135 0.033 1.00 70.13 H new ATOM 0 HG23 VAL A 80 -8.474 28.282 -1.031 1.00 70.13 H new ATOM 1330 N ILE A 81 -3.786 26.960 -2.670 1.00 53.55 N ATOM 1331 CA ILE A 81 -2.754 26.486 -3.584 1.00 34.10 C ATOM 1332 C ILE A 81 -2.725 24.962 -3.637 1.00 14.23 C ATOM 1333 O ILE A 81 -2.318 24.304 -2.679 1.00 61.30 O ATOM 1334 CB ILE A 81 -1.361 27.001 -3.176 1.00 74.13 C ATOM 1335 CG1 ILE A 81 -1.339 28.531 -3.178 1.00 22.25 C ATOM 1336 CG2 ILE A 81 -0.298 26.449 -4.114 1.00 4.25 C ATOM 1337 CD1 ILE A 81 -1.794 29.143 -1.871 1.00 63.12 C ATOM 0 H ILE A 81 -3.509 26.969 -1.688 1.00 53.55 H new ATOM 0 HA ILE A 81 -3.002 26.877 -4.571 1.00 34.10 H new ATOM 0 HB ILE A 81 -1.142 26.655 -2.166 1.00 74.13 H new ATOM 0 HG12 ILE A 81 -0.327 28.872 -3.397 1.00 22.25 H new ATOM 0 HG13 ILE A 81 -1.978 28.895 -3.982 1.00 22.25 H new ATOM 0 HG21 ILE A 81 0.681 26.821 -3.813 1.00 4.25 H new ATOM 0 HG22 ILE A 81 -0.302 25.360 -4.068 1.00 4.25 H new ATOM 0 HG23 ILE A 81 -0.511 26.770 -5.134 1.00 4.25 H new ATOM 0 HD11 ILE A 81 -1.753 30.230 -1.944 1.00 63.12 H new ATOM 0 HD12 ILE A 81 -2.817 28.832 -1.660 1.00 63.12 H new ATOM 0 HD13 ILE A 81 -1.140 28.809 -1.066 1.00 63.12 H new ATOM 1349 N THR A 82 -3.159 24.406 -4.764 1.00 30.02 N ATOM 1350 CA THR A 82 -3.182 22.960 -4.943 1.00 33.23 C ATOM 1351 C THR A 82 -2.038 22.498 -5.838 1.00 53.01 C ATOM 1352 O THR A 82 -2.018 22.787 -7.035 1.00 62.03 O ATOM 1353 CB THR A 82 -4.517 22.491 -5.552 1.00 32.55 C ATOM 1354 OG1 THR A 82 -4.421 21.117 -5.944 1.00 24.20 O ATOM 1355 CG2 THR A 82 -4.892 23.342 -6.755 1.00 60.12 C ATOM 0 H THR A 82 -3.499 24.936 -5.566 1.00 30.02 H new ATOM 0 HA THR A 82 -3.067 22.517 -3.954 1.00 33.23 H new ATOM 0 HB THR A 82 -5.294 22.599 -4.795 1.00 32.55 H new ATOM 0 HG1 THR A 82 -5.274 20.826 -6.329 1.00 24.20 H new ATOM 0 HG21 THR A 82 -5.838 22.992 -7.168 1.00 60.12 H new ATOM 0 HG22 THR A 82 -4.994 24.383 -6.447 1.00 60.12 H new ATOM 0 HG23 THR A 82 -4.114 23.263 -7.514 1.00 60.12 H new ATOM 1363 N LEU A 83 -1.088 21.779 -5.252 1.00 22.23 N ATOM 1364 CA LEU A 83 0.061 21.276 -5.997 1.00 73.44 C ATOM 1365 C LEU A 83 -0.386 20.561 -7.269 1.00 12.31 C ATOM 1366 O LEU A 83 -0.885 19.436 -7.219 1.00 63.02 O ATOM 1367 CB LEU A 83 0.882 20.324 -5.126 1.00 62.20 C ATOM 1368 CG LEU A 83 2.401 20.484 -5.205 1.00 32.32 C ATOM 1369 CD1 LEU A 83 2.801 21.923 -4.922 1.00 4.24 C ATOM 1370 CD2 LEU A 83 3.088 19.536 -4.233 1.00 21.22 C ATOM 0 H LEU A 83 -1.090 21.531 -4.263 1.00 22.23 H new ATOM 0 HA LEU A 83 0.681 22.127 -6.278 1.00 73.44 H new ATOM 0 HB2 LEU A 83 0.576 20.458 -4.088 1.00 62.20 H new ATOM 0 HB3 LEU A 83 0.630 19.301 -5.403 1.00 62.20 H new ATOM 0 HG LEU A 83 2.722 20.232 -6.216 1.00 32.32 H new ATOM 0 HD11 LEU A 83 3.885 22.018 -4.983 1.00 4.24 H new ATOM 0 HD12 LEU A 83 2.338 22.581 -5.657 1.00 4.24 H new ATOM 0 HD13 LEU A 83 2.467 22.204 -3.923 1.00 4.24 H new ATOM 0 HD21 LEU A 83 4.168 19.663 -4.303 1.00 21.22 H new ATOM 0 HD22 LEU A 83 2.761 19.757 -3.217 1.00 21.22 H new ATOM 0 HD23 LEU A 83 2.827 18.507 -4.482 1.00 21.22 H new ATOM 1382 N LEU A 84 -0.203 21.221 -8.407 1.00 63.13 N ATOM 1383 CA LEU A 84 -0.585 20.648 -9.693 1.00 43.35 C ATOM 1384 C LEU A 84 0.619 20.021 -10.389 1.00 71.13 C ATOM 1385 O LEU A 84 1.314 20.680 -11.161 1.00 43.31 O ATOM 1386 CB LEU A 84 -1.203 21.723 -10.589 1.00 41.31 C ATOM 1387 CG LEU A 84 -2.423 22.449 -10.022 1.00 12.32 C ATOM 1388 CD1 LEU A 84 -3.135 23.232 -11.115 1.00 23.32 C ATOM 1389 CD2 LEU A 84 -3.375 21.460 -9.366 1.00 32.13 C ATOM 0 H LEU A 84 0.207 22.153 -8.466 1.00 63.13 H new ATOM 0 HA LEU A 84 -1.323 19.867 -9.510 1.00 43.35 H new ATOM 0 HB2 LEU A 84 -0.436 22.464 -10.815 1.00 41.31 H new ATOM 0 HB3 LEU A 84 -1.487 21.261 -11.534 1.00 41.31 H new ATOM 0 HG LEU A 84 -2.082 23.153 -9.263 1.00 12.32 H new ATOM 0 HD11 LEU A 84 -4.001 23.742 -10.692 1.00 23.32 H new ATOM 0 HD12 LEU A 84 -2.452 23.968 -11.539 1.00 23.32 H new ATOM 0 HD13 LEU A 84 -3.463 22.548 -11.898 1.00 23.32 H new ATOM 0 HD21 LEU A 84 -4.238 21.995 -8.968 1.00 32.13 H new ATOM 0 HD22 LEU A 84 -3.709 20.732 -10.105 1.00 32.13 H new ATOM 0 HD23 LEU A 84 -2.862 20.944 -8.554 1.00 32.13 H new ATOM 1401 N GLU A 85 0.857 18.743 -10.112 1.00 33.32 N ATOM 1402 CA GLU A 85 1.976 18.027 -10.713 1.00 33.42 C ATOM 1403 C GLU A 85 1.491 16.786 -11.457 1.00 71.12 C ATOM 1404 O GLU A 85 0.595 16.865 -12.297 1.00 33.44 O ATOM 1405 CB GLU A 85 2.990 17.627 -9.639 1.00 71.21 C ATOM 1406 CG GLU A 85 3.962 18.737 -9.277 1.00 20.04 C ATOM 1407 CD GLU A 85 5.324 18.210 -8.870 1.00 23.33 C ATOM 1408 OE1 GLU A 85 6.018 17.629 -9.730 1.00 75.45 O ATOM 1409 OE2 GLU A 85 5.697 18.379 -7.690 1.00 31.23 O ATOM 0 H GLU A 85 0.290 18.182 -9.476 1.00 33.32 H new ATOM 0 HA GLU A 85 2.458 18.693 -11.428 1.00 33.42 H new ATOM 0 HB2 GLU A 85 2.454 17.318 -8.742 1.00 71.21 H new ATOM 0 HB3 GLU A 85 3.553 16.761 -9.987 1.00 71.21 H new ATOM 0 HG2 GLU A 85 4.076 19.407 -10.129 1.00 20.04 H new ATOM 0 HG3 GLU A 85 3.546 19.327 -8.460 1.00 20.04 H new