USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=10 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 148:sc= -0.0838 (180deg=-0.506) USER MOD Single : A 18 CYS SG : rot -16:sc= -0.239 USER MOD Single : A 23 THR OG1 : rot -46:sc= 1.2 USER MOD Single : A 24 MET CE :methyl 170:sc= -0.373 (180deg=-0.637) USER MOD Single : A 34 GLN : amide:sc= -1.43 K(o=-1.4,f=-5!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0137 USER MOD Single : A 44 TYR OH : rot 30:sc= -0.0151 USER MOD Single : A 48 SER OG : rot 180:sc= -0.694 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl -174:sc= 0 (180deg=-0.0456) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.763 X(o=-0.76,f=-0.56) 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 : no HD1:sc= -0.687 X(o=-0.69,f=-0.22) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 145 N TYR A 11 8.053 16.207 -11.184 1.00 12.01 N ATOM 146 CA TYR A 11 9.078 17.168 -11.574 1.00 60.42 C ATOM 147 C TYR A 11 10.090 17.370 -10.451 1.00 44.40 C ATOM 148 O TYR A 11 9.720 17.634 -9.307 1.00 23.43 O ATOM 149 CB TYR A 11 8.437 18.506 -11.946 1.00 65.24 C ATOM 150 CG TYR A 11 7.951 18.567 -13.377 1.00 11.23 C ATOM 151 CD1 TYR A 11 8.818 18.892 -14.413 1.00 1.13 C ATOM 152 CD2 TYR A 11 6.624 18.301 -13.692 1.00 42.41 C ATOM 153 CE1 TYR A 11 8.378 18.950 -15.721 1.00 10.11 C ATOM 154 CE2 TYR A 11 6.176 18.356 -14.998 1.00 33.45 C ATOM 155 CZ TYR A 11 7.056 18.681 -16.008 1.00 62.43 C ATOM 156 OH TYR A 11 6.613 18.737 -17.310 1.00 11.02 O ATOM 0 HA TYR A 11 9.602 16.770 -12.443 1.00 60.42 H new ATOM 0 HB2 TYR A 11 7.597 18.695 -11.277 1.00 65.24 H new ATOM 0 HB3 TYR A 11 9.161 19.304 -11.783 1.00 65.24 H new ATOM 0 HD1 TYR A 11 9.854 19.103 -14.192 1.00 1.13 H new ATOM 0 HD2 TYR A 11 5.931 18.047 -12.903 1.00 42.41 H new ATOM 0 HE1 TYR A 11 9.065 19.205 -16.514 1.00 10.11 H new ATOM 0 HE2 TYR A 11 5.142 18.145 -15.226 1.00 33.45 H new ATOM 0 HH TYR A 11 5.658 18.520 -17.340 1.00 11.02 H new ATOM 166 N ARG A 12 11.370 17.247 -10.787 1.00 61.54 N ATOM 167 CA ARG A 12 12.437 17.415 -9.808 1.00 42.54 C ATOM 168 C ARG A 12 12.542 18.871 -9.364 1.00 15.43 C ATOM 169 O ARG A 12 12.680 19.158 -8.175 1.00 42.42 O ATOM 170 CB ARG A 12 13.773 16.953 -10.393 1.00 72.32 C ATOM 171 CG ARG A 12 14.137 17.641 -11.699 1.00 21.43 C ATOM 172 CD ARG A 12 14.832 16.686 -12.657 1.00 22.35 C ATOM 173 NE ARG A 12 14.138 16.594 -13.938 1.00 72.20 N ATOM 174 CZ ARG A 12 14.646 15.993 -15.008 1.00 21.31 C ATOM 175 NH1 ARG A 12 15.847 15.433 -14.950 1.00 74.12 N ATOM 176 NH2 ARG A 12 13.953 15.950 -16.139 1.00 0.34 N ATOM 0 H ARG A 12 11.693 17.032 -11.730 1.00 61.54 H new ATOM 0 HA ARG A 12 12.197 16.803 -8.938 1.00 42.54 H new ATOM 0 HB2 ARG A 12 14.562 17.136 -9.664 1.00 72.32 H new ATOM 0 HB3 ARG A 12 13.735 15.876 -10.558 1.00 72.32 H new ATOM 0 HG2 ARG A 12 13.235 18.036 -12.167 1.00 21.43 H new ATOM 0 HG3 ARG A 12 14.788 18.491 -11.495 1.00 21.43 H new ATOM 0 HD2 ARG A 12 15.856 17.021 -12.823 1.00 22.35 H new ATOM 0 HD3 ARG A 12 14.889 15.696 -12.204 1.00 22.35 H new ATOM 0 HE ARG A 12 13.212 17.014 -14.016 1.00 72.20 H new ATOM 0 HH11 ARG A 12 16.382 15.463 -14.082 1.00 74.12 H new ATOM 0 HH12 ARG A 12 16.235 14.972 -15.773 1.00 74.12 H new ATOM 0 HH21 ARG A 12 13.029 16.379 -16.187 1.00 0.34 H new ATOM 0 HH22 ARG A 12 14.345 15.488 -16.960 1.00 0.34 H new ATOM 190 N GLU A 13 12.474 19.785 -10.327 1.00 4.32 N ATOM 191 CA GLU A 13 12.563 21.211 -10.034 1.00 32.14 C ATOM 192 C GLU A 13 11.454 21.640 -9.077 1.00 32.50 C ATOM 193 O GLU A 13 11.672 22.460 -8.185 1.00 52.33 O ATOM 194 CB GLU A 13 12.480 22.026 -11.326 1.00 0.12 C ATOM 195 CG GLU A 13 13.675 21.833 -12.245 1.00 13.33 C ATOM 196 CD GLU A 13 13.277 21.724 -13.704 1.00 13.22 C ATOM 197 OE1 GLU A 13 12.373 22.474 -14.129 1.00 72.32 O ATOM 198 OE2 GLU A 13 13.868 20.890 -14.420 1.00 24.21 O ATOM 0 H GLU A 13 12.358 19.564 -11.316 1.00 4.32 H new ATOM 0 HA GLU A 13 13.525 21.398 -9.556 1.00 32.14 H new ATOM 0 HB2 GLU A 13 11.572 21.750 -11.862 1.00 0.12 H new ATOM 0 HB3 GLU A 13 12.393 23.083 -11.074 1.00 0.12 H new ATOM 0 HG2 GLU A 13 14.363 22.670 -12.121 1.00 13.33 H new ATOM 0 HG3 GLU A 13 14.213 20.932 -11.951 1.00 13.33 H new ATOM 205 N ILE A 14 10.265 21.079 -9.270 1.00 31.52 N ATOM 206 CA ILE A 14 9.122 21.402 -8.425 1.00 22.24 C ATOM 207 C ILE A 14 9.415 21.088 -6.961 1.00 55.02 C ATOM 208 O ILE A 14 8.788 21.644 -6.060 1.00 1.13 O ATOM 209 CB ILE A 14 7.863 20.631 -8.862 1.00 33.44 C ATOM 210 CG1 ILE A 14 7.451 21.043 -10.276 1.00 54.22 C ATOM 211 CG2 ILE A 14 6.726 20.874 -7.881 1.00 34.05 C ATOM 212 CD1 ILE A 14 7.043 22.496 -10.387 1.00 70.33 C ATOM 0 H ILE A 14 10.068 20.399 -10.004 1.00 31.52 H new ATOM 0 HA ILE A 14 8.940 22.471 -8.536 1.00 22.24 H new ATOM 0 HB ILE A 14 8.091 19.565 -8.867 1.00 33.44 H new ATOM 0 HG12 ILE A 14 8.281 20.854 -10.957 1.00 54.22 H new ATOM 0 HG13 ILE A 14 6.622 20.415 -10.602 1.00 54.22 H new ATOM 0 HG21 ILE A 14 5.843 20.322 -8.204 1.00 34.05 H new ATOM 0 HG22 ILE A 14 7.023 20.535 -6.889 1.00 34.05 H new ATOM 0 HG23 ILE A 14 6.496 21.939 -7.847 1.00 34.05 H new ATOM 0 HD11 ILE A 14 6.764 22.718 -11.417 1.00 70.33 H new ATOM 0 HD12 ILE A 14 6.193 22.686 -9.731 1.00 70.33 H new ATOM 0 HD13 ILE A 14 7.878 23.132 -10.093 1.00 70.33 H new ATOM 224 N MET A 15 10.372 20.195 -6.733 1.00 73.31 N ATOM 225 CA MET A 15 10.750 19.809 -5.378 1.00 54.24 C ATOM 226 C MET A 15 11.066 21.038 -4.532 1.00 31.02 C ATOM 227 O MET A 15 10.953 21.004 -3.307 1.00 24.11 O ATOM 228 CB MET A 15 11.959 18.872 -5.410 1.00 54.43 C ATOM 229 CG MET A 15 11.671 17.530 -6.064 1.00 14.45 C ATOM 230 SD MET A 15 13.159 16.542 -6.306 1.00 0.02 S ATOM 231 CE MET A 15 13.773 16.437 -4.626 1.00 52.14 C ATOM 0 H MET A 15 10.900 19.725 -7.468 1.00 73.31 H new ATOM 0 HA MET A 15 9.907 19.286 -4.927 1.00 54.24 H new ATOM 0 HB2 MET A 15 12.773 19.361 -5.946 1.00 54.43 H new ATOM 0 HB3 MET A 15 12.305 18.703 -4.390 1.00 54.43 H new ATOM 0 HG2 MET A 15 10.966 16.973 -5.447 1.00 14.45 H new ATOM 0 HG3 MET A 15 11.189 17.696 -7.027 1.00 14.45 H new ATOM 0 HE1 MET A 15 14.283 15.484 -4.484 1.00 52.14 H new ATOM 0 HE2 MET A 15 14.471 17.254 -4.442 1.00 52.14 H new ATOM 0 HE3 MET A 15 12.939 16.509 -3.928 1.00 52.14 H new ATOM 241 N GLU A 16 11.462 22.121 -5.193 1.00 50.02 N ATOM 242 CA GLU A 16 11.795 23.360 -4.500 1.00 24.55 C ATOM 243 C GLU A 16 10.639 23.815 -3.614 1.00 4.14 C ATOM 244 O GLU A 16 10.813 24.044 -2.416 1.00 0.12 O ATOM 245 CB GLU A 16 12.143 24.457 -5.507 1.00 61.05 C ATOM 246 CG GLU A 16 13.520 24.298 -6.130 1.00 30.40 C ATOM 247 CD GLU A 16 14.614 24.135 -5.093 1.00 31.54 C ATOM 248 OE1 GLU A 16 14.873 22.985 -4.678 1.00 40.54 O ATOM 249 OE2 GLU A 16 15.211 25.157 -4.695 1.00 41.04 O ATOM 0 H GLU A 16 11.560 22.166 -6.207 1.00 50.02 H new ATOM 0 HA GLU A 16 12.662 23.170 -3.868 1.00 24.55 H new ATOM 0 HB2 GLU A 16 11.394 24.462 -6.299 1.00 61.05 H new ATOM 0 HB3 GLU A 16 12.088 25.425 -5.010 1.00 61.05 H new ATOM 0 HG2 GLU A 16 13.518 23.431 -6.790 1.00 30.40 H new ATOM 0 HG3 GLU A 16 13.738 25.169 -6.749 1.00 30.40 H new ATOM 256 N LEU A 17 9.460 23.945 -4.211 1.00 10.12 N ATOM 257 CA LEU A 17 8.274 24.374 -3.477 1.00 61.13 C ATOM 258 C LEU A 17 7.619 23.195 -2.765 1.00 12.12 C ATOM 259 O LEU A 17 7.290 23.278 -1.581 1.00 32.32 O ATOM 260 CB LEU A 17 7.272 25.031 -4.428 1.00 60.12 C ATOM 261 CG LEU A 17 6.361 26.094 -3.813 1.00 73.42 C ATOM 262 CD1 LEU A 17 6.856 27.488 -4.163 1.00 12.44 C ATOM 263 CD2 LEU A 17 4.926 25.902 -4.282 1.00 72.12 C ATOM 0 H LEU A 17 9.299 23.760 -5.201 1.00 10.12 H new ATOM 0 HA LEU A 17 8.584 25.101 -2.727 1.00 61.13 H new ATOM 0 HB2 LEU A 17 7.826 25.486 -5.249 1.00 60.12 H new ATOM 0 HB3 LEU A 17 6.646 24.250 -4.860 1.00 60.12 H new ATOM 0 HG LEU A 17 6.386 25.984 -2.729 1.00 73.42 H new ATOM 0 HD11 LEU A 17 6.195 28.231 -3.717 1.00 12.44 H new ATOM 0 HD12 LEU A 17 7.867 27.623 -3.778 1.00 12.44 H new ATOM 0 HD13 LEU A 17 6.861 27.611 -5.246 1.00 12.44 H new ATOM 0 HD21 LEU A 17 4.292 26.667 -3.835 1.00 72.12 H new ATOM 0 HD22 LEU A 17 4.884 25.985 -5.368 1.00 72.12 H new ATOM 0 HD23 LEU A 17 4.573 24.916 -3.980 1.00 72.12 H new ATOM 275 N CYS A 18 7.434 22.099 -3.492 1.00 42.34 N ATOM 276 CA CYS A 18 6.819 20.902 -2.929 1.00 44.34 C ATOM 277 C CYS A 18 7.452 20.546 -1.588 1.00 61.53 C ATOM 278 O CYS A 18 6.766 20.113 -0.662 1.00 1.53 O ATOM 279 CB CYS A 18 6.957 19.728 -3.900 1.00 53.52 C ATOM 280 SG CYS A 18 6.283 18.171 -3.276 1.00 12.34 S ATOM 0 H CYS A 18 7.701 22.014 -4.473 1.00 42.34 H new ATOM 0 HA CYS A 18 5.761 21.108 -2.768 1.00 44.34 H new ATOM 0 HB2 CYS A 18 6.454 19.981 -4.833 1.00 53.52 H new ATOM 0 HB3 CYS A 18 8.012 19.587 -4.135 1.00 53.52 H new ATOM 0 HG CYS A 18 6.114 18.256 -1.990 1.00 12.34 H new ATOM 286 N PHE A 19 8.765 20.728 -1.492 1.00 70.42 N ATOM 287 CA PHE A 19 9.491 20.422 -0.265 1.00 43.41 C ATOM 288 C PHE A 19 8.869 21.142 0.928 1.00 22.53 C ATOM 289 O PHE A 19 8.723 20.566 2.007 1.00 54.23 O ATOM 290 CB PHE A 19 10.962 20.821 -0.405 1.00 51.23 C ATOM 291 CG PHE A 19 11.752 20.654 0.861 1.00 14.13 C ATOM 292 CD1 PHE A 19 11.640 19.497 1.615 1.00 21.13 C ATOM 293 CD2 PHE A 19 12.606 21.654 1.298 1.00 71.22 C ATOM 294 CE1 PHE A 19 12.365 19.341 2.782 1.00 41.05 C ATOM 295 CE2 PHE A 19 13.334 21.503 2.463 1.00 12.42 C ATOM 296 CZ PHE A 19 13.214 20.345 3.205 1.00 31.14 C ATOM 0 H PHE A 19 9.348 21.086 -2.249 1.00 70.42 H new ATOM 0 HA PHE A 19 9.428 19.348 -0.093 1.00 43.41 H new ATOM 0 HB2 PHE A 19 11.420 20.220 -1.191 1.00 51.23 H new ATOM 0 HB3 PHE A 19 11.019 21.862 -0.725 1.00 51.23 H new ATOM 0 HD1 PHE A 19 10.979 18.708 1.288 1.00 21.13 H new ATOM 0 HD2 PHE A 19 12.704 22.562 0.721 1.00 71.22 H new ATOM 0 HE1 PHE A 19 12.268 18.435 3.362 1.00 41.05 H new ATOM 0 HE2 PHE A 19 13.996 22.290 2.793 1.00 12.42 H new ATOM 0 HZ PHE A 19 13.783 20.224 4.115 1.00 31.14 H new ATOM 306 N VAL A 20 8.505 22.404 0.727 1.00 44.11 N ATOM 307 CA VAL A 20 7.899 23.203 1.785 1.00 33.10 C ATOM 308 C VAL A 20 6.442 22.811 2.003 1.00 74.23 C ATOM 309 O VAL A 20 5.970 22.743 3.138 1.00 14.10 O ATOM 310 CB VAL A 20 7.972 24.708 1.464 1.00 35.42 C ATOM 311 CG1 VAL A 20 7.196 25.512 2.496 1.00 75.10 C ATOM 312 CG2 VAL A 20 9.420 25.168 1.397 1.00 72.05 C ATOM 0 H VAL A 20 8.619 22.895 -0.159 1.00 44.11 H new ATOM 0 HA VAL A 20 8.466 23.006 2.695 1.00 33.10 H new ATOM 0 HB VAL A 20 7.515 24.877 0.489 1.00 35.42 H new ATOM 0 HG11 VAL A 20 7.259 26.573 2.253 1.00 75.10 H new ATOM 0 HG12 VAL A 20 6.152 25.200 2.490 1.00 75.10 H new ATOM 0 HG13 VAL A 20 7.621 25.341 3.485 1.00 75.10 H new ATOM 0 HG21 VAL A 20 9.453 26.233 1.169 1.00 72.05 H new ATOM 0 HG22 VAL A 20 9.904 24.987 2.357 1.00 72.05 H new ATOM 0 HG23 VAL A 20 9.942 24.614 0.617 1.00 72.05 H new ATOM 322 N ILE A 21 5.734 22.553 0.908 1.00 42.11 N ATOM 323 CA ILE A 21 4.331 22.166 0.979 1.00 33.15 C ATOM 324 C ILE A 21 4.162 20.844 1.721 1.00 2.44 C ATOM 325 O ILE A 21 3.195 20.654 2.460 1.00 45.24 O ATOM 326 CB ILE A 21 3.710 22.037 -0.424 1.00 62.51 C ATOM 327 CG1 ILE A 21 4.000 23.291 -1.251 1.00 62.44 C ATOM 328 CG2 ILE A 21 2.211 21.799 -0.321 1.00 21.44 C ATOM 329 CD1 ILE A 21 3.669 24.579 -0.532 1.00 15.22 C ATOM 0 H ILE A 21 6.110 22.605 -0.039 1.00 42.11 H new ATOM 0 HA ILE A 21 3.814 22.955 1.525 1.00 33.15 H new ATOM 0 HB ILE A 21 4.160 21.181 -0.926 1.00 62.51 H new ATOM 0 HG12 ILE A 21 5.055 23.299 -1.526 1.00 62.44 H new ATOM 0 HG13 ILE A 21 3.429 23.245 -2.178 1.00 62.44 H new ATOM 0 HG21 ILE A 21 1.787 21.710 -1.321 1.00 21.44 H new ATOM 0 HG22 ILE A 21 2.026 20.880 0.235 1.00 21.44 H new ATOM 0 HG23 ILE A 21 1.744 22.637 0.198 1.00 21.44 H new ATOM 0 HD11 ILE A 21 3.900 25.426 -1.178 1.00 15.22 H new ATOM 0 HD12 ILE A 21 2.609 24.593 -0.280 1.00 15.22 H new ATOM 0 HD13 ILE A 21 4.260 24.648 0.382 1.00 15.22 H new ATOM 341 N ARG A 22 5.110 19.935 1.521 1.00 22.34 N ATOM 342 CA ARG A 22 5.067 18.631 2.172 1.00 63.31 C ATOM 343 C ARG A 22 5.166 18.776 3.688 1.00 72.23 C ATOM 344 O ARG A 22 4.665 17.936 4.437 1.00 4.31 O ATOM 345 CB ARG A 22 6.203 17.743 1.659 1.00 50.51 C ATOM 346 CG ARG A 22 6.134 16.312 2.165 1.00 33.01 C ATOM 347 CD ARG A 22 7.306 15.485 1.661 1.00 43.40 C ATOM 348 NE ARG A 22 8.574 15.926 2.236 1.00 2.34 N ATOM 349 CZ ARG A 22 8.979 15.601 3.459 1.00 12.32 C ATOM 350 NH1 ARG A 22 8.219 14.836 4.231 1.00 42.31 N ATOM 351 NH2 ARG A 22 10.146 16.041 3.912 1.00 12.40 N ATOM 0 H ARG A 22 5.917 20.077 0.914 1.00 22.34 H new ATOM 0 HA ARG A 22 4.112 18.164 1.930 1.00 63.31 H new ATOM 0 HB2 ARG A 22 6.183 17.735 0.569 1.00 50.51 H new ATOM 0 HB3 ARG A 22 7.156 18.179 1.957 1.00 50.51 H new ATOM 0 HG2 ARG A 22 6.128 16.310 3.255 1.00 33.01 H new ATOM 0 HG3 ARG A 22 5.199 15.855 1.841 1.00 33.01 H new ATOM 0 HD2 ARG A 22 7.142 14.436 1.907 1.00 43.40 H new ATOM 0 HD3 ARG A 22 7.357 15.553 0.574 1.00 43.40 H new ATOM 0 HE ARG A 22 9.182 16.516 1.668 1.00 2.34 H new ATOM 0 HH11 ARG A 22 7.321 14.496 3.886 1.00 42.31 H new ATOM 0 HH12 ARG A 22 8.532 14.588 5.169 1.00 42.31 H new ATOM 0 HH21 ARG A 22 10.733 16.629 3.321 1.00 12.40 H new ATOM 0 HH22 ARG A 22 10.456 15.791 4.851 1.00 12.40 H new ATOM 365 N THR A 23 5.815 19.847 4.134 1.00 61.23 N ATOM 366 CA THR A 23 5.981 20.101 5.559 1.00 1.40 C ATOM 367 C THR A 23 4.679 20.587 6.186 1.00 4.40 C ATOM 368 O THR A 23 4.400 20.310 7.352 1.00 1.51 O ATOM 369 CB THR A 23 7.084 21.145 5.819 1.00 53.34 C ATOM 370 OG1 THR A 23 6.561 22.466 5.635 1.00 20.24 O ATOM 371 CG2 THR A 23 8.265 20.928 4.885 1.00 1.02 C ATOM 0 H THR A 23 6.234 20.552 3.528 1.00 61.23 H new ATOM 0 HA THR A 23 6.271 19.155 6.017 1.00 1.40 H new ATOM 0 HB THR A 23 7.428 21.030 6.847 1.00 53.34 H new ATOM 0 HG1 THR A 23 6.044 22.500 4.803 1.00 20.24 H new ATOM 0 HG21 THR A 23 9.031 21.677 5.087 1.00 1.02 H new ATOM 0 HG22 THR A 23 8.679 19.933 5.047 1.00 1.02 H new ATOM 0 HG23 THR A 23 7.933 21.019 3.851 1.00 1.02 H new ATOM 379 N MET A 24 3.886 21.313 5.404 1.00 21.44 N ATOM 380 CA MET A 24 2.612 21.835 5.884 1.00 51.41 C ATOM 381 C MET A 24 1.554 20.737 5.924 1.00 23.12 C ATOM 382 O MET A 24 0.897 20.533 6.944 1.00 34.01 O ATOM 383 CB MET A 24 2.138 22.983 4.990 1.00 62.01 C ATOM 384 CG MET A 24 2.884 24.286 5.227 1.00 24.12 C ATOM 385 SD MET A 24 1.941 25.455 6.224 1.00 53.22 S ATOM 386 CE MET A 24 1.820 24.561 7.771 1.00 3.22 C ATOM 0 H MET A 24 4.103 21.553 4.437 1.00 21.44 H new ATOM 0 HA MET A 24 2.760 22.209 6.897 1.00 51.41 H new ATOM 0 HB2 MET A 24 2.255 22.692 3.946 1.00 62.01 H new ATOM 0 HB3 MET A 24 1.074 23.148 5.158 1.00 62.01 H new ATOM 0 HG2 MET A 24 3.831 24.073 5.723 1.00 24.12 H new ATOM 0 HG3 MET A 24 3.123 24.743 4.267 1.00 24.12 H new ATOM 0 HE1 MET A 24 1.421 25.220 8.542 1.00 3.22 H new ATOM 0 HE2 MET A 24 1.156 23.706 7.646 1.00 3.22 H new ATOM 0 HE3 MET A 24 2.809 24.212 8.068 1.00 3.22 H new ATOM 536 N ILE A 33 -0.669 17.253 -2.721 1.00 11.14 N ATOM 537 CA ILE A 33 -0.602 18.173 -1.592 1.00 43.21 C ATOM 538 C ILE A 33 -1.308 19.486 -1.911 1.00 11.54 C ATOM 539 O ILE A 33 -1.304 19.943 -3.053 1.00 61.15 O ATOM 540 CB ILE A 33 0.856 18.471 -1.195 1.00 22.33 C ATOM 541 CG1 ILE A 33 1.725 17.226 -1.390 1.00 0.53 C ATOM 542 CG2 ILE A 33 0.925 18.951 0.247 1.00 33.54 C ATOM 543 CD1 ILE A 33 3.164 17.421 -0.965 1.00 14.32 C ATOM 0 HA ILE A 33 -1.105 17.686 -0.757 1.00 43.21 H new ATOM 0 HB ILE A 33 1.238 19.263 -1.839 1.00 22.33 H new ATOM 0 HG12 ILE A 33 1.296 16.401 -0.822 1.00 0.53 H new ATOM 0 HG13 ILE A 33 1.701 16.937 -2.441 1.00 0.53 H new ATOM 0 HG21 ILE A 33 1.962 19.157 0.513 1.00 33.54 H new ATOM 0 HG22 ILE A 33 0.334 19.861 0.356 1.00 33.54 H new ATOM 0 HG23 ILE A 33 0.528 18.179 0.907 1.00 33.54 H new ATOM 0 HD11 ILE A 33 3.721 16.499 -1.131 1.00 14.32 H new ATOM 0 HD12 ILE A 33 3.611 18.225 -1.550 1.00 14.32 H new ATOM 0 HD13 ILE A 33 3.199 17.680 0.093 1.00 14.32 H new ATOM 555 N GLN A 34 -1.912 20.089 -0.892 1.00 12.43 N ATOM 556 CA GLN A 34 -2.622 21.351 -1.063 1.00 40.55 C ATOM 557 C GLN A 34 -2.529 22.204 0.198 1.00 53.14 C ATOM 558 O GLN A 34 -2.617 21.692 1.314 1.00 61.13 O ATOM 559 CB GLN A 34 -4.089 21.093 -1.412 1.00 22.32 C ATOM 560 CG GLN A 34 -4.281 20.359 -2.729 1.00 40.34 C ATOM 561 CD GLN A 34 -4.325 18.854 -2.558 1.00 74.32 C ATOM 562 OE1 GLN A 34 -3.925 18.323 -1.522 1.00 12.14 O ATOM 563 NE2 GLN A 34 -4.814 18.156 -3.577 1.00 22.10 N ATOM 0 H GLN A 34 -1.924 19.724 0.060 1.00 12.43 H new ATOM 0 HA GLN A 34 -2.152 21.895 -1.882 1.00 40.55 H new ATOM 0 HB2 GLN A 34 -4.547 20.512 -0.612 1.00 22.32 H new ATOM 0 HB3 GLN A 34 -4.616 22.046 -1.456 1.00 22.32 H new ATOM 0 HG2 GLN A 34 -5.207 20.695 -3.196 1.00 40.34 H new ATOM 0 HG3 GLN A 34 -3.469 20.620 -3.408 1.00 40.34 H new ATOM 0 HE21 GLN A 34 -5.135 18.637 -4.417 1.00 22.10 H new ATOM 0 HE22 GLN A 34 -4.869 17.139 -3.519 1.00 22.10 H new ATOM 572 N VAL A 35 -2.351 23.508 0.013 1.00 52.45 N ATOM 573 CA VAL A 35 -2.247 24.433 1.135 1.00 33.33 C ATOM 574 C VAL A 35 -2.683 25.837 0.733 1.00 14.11 C ATOM 575 O VAL A 35 -2.566 26.227 -0.429 1.00 54.21 O ATOM 576 CB VAL A 35 -0.809 24.491 1.683 1.00 20.22 C ATOM 577 CG1 VAL A 35 -0.492 23.238 2.486 1.00 13.41 C ATOM 578 CG2 VAL A 35 0.187 24.672 0.547 1.00 35.32 C ATOM 0 H VAL A 35 -2.276 23.948 -0.904 1.00 52.45 H new ATOM 0 HA VAL A 35 -2.911 24.060 1.915 1.00 33.33 H new ATOM 0 HB VAL A 35 -0.727 25.350 2.348 1.00 20.22 H new ATOM 0 HG11 VAL A 35 0.528 23.297 2.865 1.00 13.41 H new ATOM 0 HG12 VAL A 35 -1.186 23.157 3.323 1.00 13.41 H new ATOM 0 HG13 VAL A 35 -0.591 22.361 1.846 1.00 13.41 H new ATOM 0 HG21 VAL A 35 1.198 24.711 0.952 1.00 35.32 H new ATOM 0 HG22 VAL A 35 0.106 23.834 -0.145 1.00 35.32 H new ATOM 0 HG23 VAL A 35 -0.028 25.601 0.019 1.00 35.32 H new ATOM 588 N THR A 36 -3.187 26.595 1.702 1.00 31.14 N ATOM 589 CA THR A 36 -3.642 27.956 1.450 1.00 3.41 C ATOM 590 C THR A 36 -2.488 28.948 1.546 1.00 62.12 C ATOM 591 O THR A 36 -1.493 28.694 2.225 1.00 42.20 O ATOM 592 CB THR A 36 -4.745 28.373 2.441 1.00 71.12 C ATOM 593 OG1 THR A 36 -4.385 27.978 3.769 1.00 12.14 O ATOM 594 CG2 THR A 36 -6.078 27.744 2.063 1.00 65.42 C ATOM 0 H THR A 36 -3.290 26.289 2.669 1.00 31.14 H new ATOM 0 HA THR A 36 -4.048 27.971 0.439 1.00 3.41 H new ATOM 0 HB THR A 36 -4.848 29.457 2.400 1.00 71.12 H new ATOM 0 HG1 THR A 36 -5.090 28.248 4.393 1.00 12.14 H new ATOM 0 HG21 THR A 36 -6.842 28.053 2.777 1.00 65.42 H new ATOM 0 HG22 THR A 36 -6.363 28.070 1.063 1.00 65.42 H new ATOM 0 HG23 THR A 36 -5.985 26.658 2.078 1.00 65.42 H new ATOM 602 N PHE A 37 -2.627 30.079 0.862 1.00 34.11 N ATOM 603 CA PHE A 37 -1.596 31.109 0.870 1.00 4.42 C ATOM 604 C PHE A 37 -1.208 31.480 2.299 1.00 61.42 C ATOM 605 O PHE A 37 -0.027 31.537 2.638 1.00 22.21 O ATOM 606 CB PHE A 37 -2.081 32.353 0.123 1.00 53.11 C ATOM 607 CG PHE A 37 -1.262 33.580 0.404 1.00 24.23 C ATOM 608 CD1 PHE A 37 0.123 33.522 0.390 1.00 52.34 C ATOM 609 CD2 PHE A 37 -1.875 34.790 0.683 1.00 52.40 C ATOM 610 CE1 PHE A 37 0.879 34.649 0.649 1.00 3.51 C ATOM 611 CE2 PHE A 37 -1.124 35.921 0.943 1.00 42.12 C ATOM 612 CZ PHE A 37 0.255 35.851 0.925 1.00 64.53 C ATOM 0 H PHE A 37 -3.444 30.305 0.295 1.00 34.11 H new ATOM 0 HA PHE A 37 -0.716 30.710 0.365 1.00 4.42 H new ATOM 0 HB2 PHE A 37 -2.065 32.153 -0.948 1.00 53.11 H new ATOM 0 HB3 PHE A 37 -3.118 32.549 0.395 1.00 53.11 H new ATOM 0 HD1 PHE A 37 0.616 32.586 0.174 1.00 52.34 H new ATOM 0 HD2 PHE A 37 -2.953 34.851 0.698 1.00 52.40 H new ATOM 0 HE1 PHE A 37 1.957 34.591 0.636 1.00 3.51 H new ATOM 0 HE2 PHE A 37 -1.615 36.858 1.160 1.00 42.12 H new ATOM 0 HZ PHE A 37 0.844 36.733 1.126 1.00 64.53 H new ATOM 622 N GLY A 38 -2.213 31.731 3.132 1.00 1.13 N ATOM 623 CA GLY A 38 -1.958 32.094 4.514 1.00 24.51 C ATOM 624 C GLY A 38 -1.036 31.112 5.210 1.00 33.53 C ATOM 625 O GLY A 38 -0.085 31.512 5.881 1.00 74.12 O ATOM 0 H GLY A 38 -3.199 31.690 2.875 1.00 1.13 H new ATOM 0 HA2 GLY A 38 -1.517 33.090 4.549 1.00 24.51 H new ATOM 0 HA3 GLY A 38 -2.904 32.145 5.054 1.00 24.51 H new ATOM 629 N GLU A 39 -1.320 29.822 5.052 1.00 2.44 N ATOM 630 CA GLU A 39 -0.510 28.781 5.674 1.00 40.10 C ATOM 631 C GLU A 39 0.895 28.757 5.079 1.00 70.32 C ATOM 632 O GLU A 39 1.890 28.782 5.805 1.00 73.01 O ATOM 633 CB GLU A 39 -1.174 27.414 5.498 1.00 53.13 C ATOM 634 CG GLU A 39 -1.984 26.971 6.704 1.00 32.25 C ATOM 635 CD GLU A 39 -1.916 25.474 6.935 1.00 22.40 C ATOM 636 OE1 GLU A 39 -1.560 24.743 5.988 1.00 63.54 O ATOM 637 OE2 GLU A 39 -2.219 25.033 8.064 1.00 45.50 O ATOM 0 H GLU A 39 -2.104 29.474 4.499 1.00 2.44 H new ATOM 0 HA GLU A 39 -0.431 29.004 6.738 1.00 40.10 H new ATOM 0 HB2 GLU A 39 -1.826 27.446 4.625 1.00 53.13 H new ATOM 0 HB3 GLU A 39 -0.405 26.669 5.294 1.00 53.13 H new ATOM 0 HG2 GLU A 39 -1.620 27.489 7.591 1.00 32.25 H new ATOM 0 HG3 GLU A 39 -3.024 27.267 6.567 1.00 32.25 H new ATOM 644 N LEU A 40 0.969 28.707 3.753 1.00 34.34 N ATOM 645 CA LEU A 40 2.251 28.678 3.059 1.00 42.21 C ATOM 646 C LEU A 40 3.132 29.845 3.494 1.00 24.45 C ATOM 647 O LEU A 40 4.289 29.656 3.871 1.00 64.43 O ATOM 648 CB LEU A 40 2.035 28.725 1.545 1.00 21.23 C ATOM 649 CG LEU A 40 2.548 27.520 0.757 1.00 61.54 C ATOM 650 CD1 LEU A 40 2.248 27.684 -0.725 1.00 53.11 C ATOM 651 CD2 LEU A 40 4.041 27.331 0.982 1.00 22.21 C ATOM 0 H LEU A 40 0.156 28.686 3.138 1.00 34.34 H new ATOM 0 HA LEU A 40 2.756 27.748 3.319 1.00 42.21 H new ATOM 0 HB2 LEU A 40 0.967 28.831 1.354 1.00 21.23 H new ATOM 0 HB3 LEU A 40 2.519 29.621 1.157 1.00 21.23 H new ATOM 0 HG LEU A 40 2.031 26.630 1.116 1.00 61.54 H new ATOM 0 HD11 LEU A 40 2.621 26.817 -1.270 1.00 53.11 H new ATOM 0 HD12 LEU A 40 1.171 27.769 -0.871 1.00 53.11 H new ATOM 0 HD13 LEU A 40 2.737 28.584 -1.098 1.00 53.11 H new ATOM 0 HD21 LEU A 40 4.388 26.469 0.413 1.00 22.21 H new ATOM 0 HD22 LEU A 40 4.574 28.222 0.652 1.00 22.21 H new ATOM 0 HD23 LEU A 40 4.231 27.167 2.043 1.00 22.21 H new ATOM 663 N PHE A 41 2.577 31.051 3.443 1.00 73.41 N ATOM 664 CA PHE A 41 3.311 32.248 3.833 1.00 4.24 C ATOM 665 C PHE A 41 3.781 32.150 5.282 1.00 40.11 C ATOM 666 O PHE A 41 4.961 32.338 5.577 1.00 4.11 O ATOM 667 CB PHE A 41 2.437 33.491 3.652 1.00 70.41 C ATOM 668 CG PHE A 41 3.213 34.776 3.661 1.00 1.54 C ATOM 669 CD1 PHE A 41 3.809 35.250 2.504 1.00 53.14 C ATOM 670 CD2 PHE A 41 3.347 35.511 4.828 1.00 4.34 C ATOM 671 CE1 PHE A 41 4.523 36.433 2.509 1.00 43.33 C ATOM 672 CE2 PHE A 41 4.060 36.695 4.839 1.00 3.35 C ATOM 673 CZ PHE A 41 4.650 37.156 3.679 1.00 40.24 C ATOM 0 H PHE A 41 1.620 31.225 3.135 1.00 73.41 H new ATOM 0 HA PHE A 41 4.187 32.332 3.190 1.00 4.24 H new ATOM 0 HB2 PHE A 41 1.895 33.410 2.710 1.00 70.41 H new ATOM 0 HB3 PHE A 41 1.692 33.520 4.447 1.00 70.41 H new ATOM 0 HD1 PHE A 41 3.714 34.688 1.587 1.00 53.14 H new ATOM 0 HD2 PHE A 41 2.889 35.155 5.739 1.00 4.34 H new ATOM 0 HE1 PHE A 41 4.981 36.792 1.599 1.00 43.33 H new ATOM 0 HE2 PHE A 41 4.156 37.259 5.755 1.00 3.35 H new ATOM 0 HZ PHE A 41 5.209 38.080 3.686 1.00 40.24 H new ATOM 683 N ASP A 42 2.849 31.855 6.181 1.00 54.21 N ATOM 684 CA ASP A 42 3.166 31.731 7.599 1.00 53.41 C ATOM 685 C ASP A 42 4.249 30.681 7.824 1.00 73.11 C ATOM 686 O ASP A 42 4.904 30.664 8.866 1.00 44.32 O ATOM 687 CB ASP A 42 1.911 31.367 8.394 1.00 21.20 C ATOM 688 CG ASP A 42 2.220 31.028 9.839 1.00 14.12 C ATOM 689 OD1 ASP A 42 2.764 31.899 10.549 1.00 42.10 O ATOM 690 OD2 ASP A 42 1.917 29.892 10.260 1.00 21.33 O ATOM 0 H ASP A 42 1.867 31.697 5.953 1.00 54.21 H new ATOM 0 HA ASP A 42 3.541 32.693 7.948 1.00 53.41 H new ATOM 0 HB2 ASP A 42 1.209 32.200 8.361 1.00 21.20 H new ATOM 0 HB3 ASP A 42 1.419 30.517 7.922 1.00 21.20 H new ATOM 695 N ARG A 43 4.430 29.805 6.841 1.00 51.23 N ATOM 696 CA ARG A 43 5.432 28.750 6.932 1.00 34.15 C ATOM 697 C ARG A 43 6.750 29.196 6.307 1.00 71.23 C ATOM 698 O ARG A 43 7.827 28.814 6.765 1.00 11.24 O ATOM 699 CB ARG A 43 4.930 27.480 6.242 1.00 44.33 C ATOM 700 CG ARG A 43 6.018 26.446 6.005 1.00 65.30 C ATOM 701 CD ARG A 43 6.694 26.040 7.306 1.00 40.34 C ATOM 702 NE ARG A 43 5.781 25.331 8.199 1.00 43.53 N ATOM 703 CZ ARG A 43 6.024 25.131 9.489 1.00 20.31 C ATOM 704 NH1 ARG A 43 7.145 25.583 10.035 1.00 54.04 N ATOM 705 NH2 ARG A 43 5.144 24.476 10.237 1.00 45.51 N ATOM 0 H ARG A 43 3.896 29.805 5.972 1.00 51.23 H new ATOM 0 HA ARG A 43 5.605 28.537 7.987 1.00 34.15 H new ATOM 0 HB2 ARG A 43 4.142 27.034 6.849 1.00 44.33 H new ATOM 0 HB3 ARG A 43 4.482 27.749 5.286 1.00 44.33 H new ATOM 0 HG2 ARG A 43 5.587 25.566 5.527 1.00 65.30 H new ATOM 0 HG3 ARG A 43 6.762 26.850 5.318 1.00 65.30 H new ATOM 0 HD2 ARG A 43 7.552 25.405 7.086 1.00 40.34 H new ATOM 0 HD3 ARG A 43 7.076 26.929 7.809 1.00 40.34 H new ATOM 0 HE ARG A 43 4.910 24.970 7.811 1.00 43.53 H new ATOM 0 HH11 ARG A 43 7.824 26.086 9.464 1.00 54.04 H new ATOM 0 HH12 ARG A 43 7.328 25.428 11.026 1.00 54.04 H new ATOM 0 HH21 ARG A 43 4.281 24.126 9.821 1.00 45.51 H new ATOM 0 HH22 ARG A 43 5.331 24.323 11.228 1.00 45.51 H new ATOM 719 N TYR A 44 6.657 30.005 5.257 1.00 33.51 N ATOM 720 CA TYR A 44 7.841 30.500 4.566 1.00 24.04 C ATOM 721 C TYR A 44 8.475 31.658 5.333 1.00 75.55 C ATOM 722 O TYR A 44 9.675 31.906 5.225 1.00 44.05 O ATOM 723 CB TYR A 44 7.481 30.948 3.149 1.00 1.21 C ATOM 724 CG TYR A 44 8.034 30.045 2.070 1.00 52.45 C ATOM 725 CD1 TYR A 44 7.368 28.883 1.701 1.00 22.41 C ATOM 726 CD2 TYR A 44 9.222 30.354 1.419 1.00 52.33 C ATOM 727 CE1 TYR A 44 7.870 28.054 0.716 1.00 53.22 C ATOM 728 CE2 TYR A 44 9.730 29.533 0.431 1.00 32.43 C ATOM 729 CZ TYR A 44 9.050 28.384 0.084 1.00 64.35 C ATOM 730 OH TYR A 44 9.554 27.562 -0.899 1.00 20.14 O ATOM 0 H TYR A 44 5.773 30.332 4.866 1.00 33.51 H new ATOM 0 HA TYR A 44 8.564 29.686 4.509 1.00 24.04 H new ATOM 0 HB2 TYR A 44 6.396 30.990 3.055 1.00 1.21 H new ATOM 0 HB3 TYR A 44 7.854 31.960 2.991 1.00 1.21 H new ATOM 0 HD1 TYR A 44 6.442 28.623 2.192 1.00 22.41 H new ATOM 0 HD2 TYR A 44 9.758 31.252 1.690 1.00 52.33 H new ATOM 0 HE1 TYR A 44 7.341 27.153 0.443 1.00 53.22 H new ATOM 0 HE2 TYR A 44 10.654 29.789 -0.067 1.00 32.43 H new ATOM 0 HH TYR A 44 8.816 27.107 -1.355 1.00 20.14 H new ATOM 740 N VAL A 45 7.657 32.363 6.108 1.00 70.21 N ATOM 741 CA VAL A 45 8.135 33.493 6.894 1.00 3.45 C ATOM 742 C VAL A 45 9.278 33.079 7.815 1.00 72.43 C ATOM 743 O VAL A 45 10.138 33.890 8.157 1.00 22.34 O ATOM 744 CB VAL A 45 7.005 34.106 7.742 1.00 35.11 C ATOM 745 CG1 VAL A 45 5.913 34.672 6.847 1.00 34.11 C ATOM 746 CG2 VAL A 45 6.436 33.070 8.700 1.00 24.22 C ATOM 0 H VAL A 45 6.660 32.171 6.208 1.00 70.21 H new ATOM 0 HA VAL A 45 8.494 34.240 6.186 1.00 3.45 H new ATOM 0 HB VAL A 45 7.419 34.924 8.331 1.00 35.11 H new ATOM 0 HG11 VAL A 45 5.123 35.101 7.464 1.00 34.11 H new ATOM 0 HG12 VAL A 45 6.333 35.446 6.205 1.00 34.11 H new ATOM 0 HG13 VAL A 45 5.499 33.875 6.230 1.00 34.11 H new ATOM 0 HG21 VAL A 45 5.639 33.520 9.291 1.00 24.22 H new ATOM 0 HG22 VAL A 45 6.036 32.230 8.132 1.00 24.22 H new ATOM 0 HG23 VAL A 45 7.225 32.716 9.364 1.00 24.22 H new ATOM 756 N ARG A 46 9.280 31.810 8.211 1.00 1.11 N ATOM 757 CA ARG A 46 10.317 31.287 9.093 1.00 51.04 C ATOM 758 C ARG A 46 11.489 30.735 8.286 1.00 11.51 C ATOM 759 O ARG A 46 12.370 30.069 8.830 1.00 43.31 O ATOM 760 CB ARG A 46 9.744 30.192 9.995 1.00 45.13 C ATOM 761 CG ARG A 46 9.609 30.610 11.450 1.00 42.54 C ATOM 762 CD ARG A 46 8.957 29.520 12.285 1.00 71.34 C ATOM 763 NE ARG A 46 8.439 30.034 13.549 1.00 2.55 N ATOM 764 CZ ARG A 46 7.939 29.262 14.507 1.00 13.24 C ATOM 765 NH1 ARG A 46 7.889 27.947 14.345 1.00 1.33 N ATOM 766 NH2 ARG A 46 7.487 29.805 15.631 1.00 50.23 N ATOM 0 H ARG A 46 8.576 31.126 7.935 1.00 1.11 H new ATOM 0 HA ARG A 46 10.679 32.107 9.713 1.00 51.04 H new ATOM 0 HB2 ARG A 46 8.764 29.898 9.618 1.00 45.13 H new ATOM 0 HB3 ARG A 46 10.385 29.312 9.936 1.00 45.13 H new ATOM 0 HG2 ARG A 46 10.594 30.841 11.856 1.00 42.54 H new ATOM 0 HG3 ARG A 46 9.016 31.522 11.514 1.00 42.54 H new ATOM 0 HD2 ARG A 46 8.144 29.067 11.718 1.00 71.34 H new ATOM 0 HD3 ARG A 46 9.684 28.733 12.485 1.00 71.34 H new ATOM 0 HE ARG A 46 8.462 31.042 13.705 1.00 2.55 H new ATOM 0 HH11 ARG A 46 8.235 27.526 13.483 1.00 1.33 H new ATOM 0 HH12 ARG A 46 7.504 27.357 15.083 1.00 1.33 H new ATOM 0 HH21 ARG A 46 7.523 30.816 15.760 1.00 50.23 H new ATOM 0 HH22 ARG A 46 7.103 29.211 16.366 1.00 50.23 H new ATOM 780 N ILE A 47 11.491 31.017 6.988 1.00 44.04 N ATOM 781 CA ILE A 47 12.555 30.550 6.107 1.00 32.31 C ATOM 782 C ILE A 47 13.080 31.682 5.231 1.00 63.31 C ATOM 783 O ILE A 47 14.196 32.164 5.425 1.00 61.11 O ATOM 784 CB ILE A 47 12.073 29.398 5.205 1.00 43.32 C ATOM 785 CG1 ILE A 47 11.591 28.222 6.056 1.00 73.12 C ATOM 786 CG2 ILE A 47 13.188 28.959 4.267 1.00 32.41 C ATOM 787 CD1 ILE A 47 10.953 27.113 5.248 1.00 15.52 C ATOM 0 H ILE A 47 10.768 31.566 6.523 1.00 44.04 H new ATOM 0 HA ILE A 47 13.359 30.187 6.747 1.00 32.31 H new ATOM 0 HB ILE A 47 11.236 29.753 4.603 1.00 43.32 H new ATOM 0 HG12 ILE A 47 12.436 27.816 6.612 1.00 73.12 H new ATOM 0 HG13 ILE A 47 10.872 28.586 6.790 1.00 73.12 H new ATOM 0 HG21 ILE A 47 12.833 28.144 3.636 1.00 32.41 H new ATOM 0 HG22 ILE A 47 13.488 29.799 3.641 1.00 32.41 H new ATOM 0 HG23 ILE A 47 14.043 28.619 4.852 1.00 32.41 H new ATOM 0 HD11 ILE A 47 10.635 26.313 5.916 1.00 15.52 H new ATOM 0 HD12 ILE A 47 10.088 27.504 4.713 1.00 15.52 H new ATOM 0 HD13 ILE A 47 11.676 26.722 4.532 1.00 15.52 H new ATOM 799 N SER A 48 12.268 32.103 4.267 1.00 73.51 N ATOM 800 CA SER A 48 12.651 33.177 3.359 1.00 41.22 C ATOM 801 C SER A 48 11.590 34.273 3.336 1.00 50.25 C ATOM 802 O SER A 48 11.904 35.453 3.177 1.00 12.00 O ATOM 803 CB SER A 48 12.865 32.628 1.947 1.00 52.42 C ATOM 804 OG SER A 48 13.525 31.375 1.981 1.00 3.13 O ATOM 0 H SER A 48 11.340 31.716 4.095 1.00 73.51 H new ATOM 0 HA SER A 48 13.585 33.608 3.719 1.00 41.22 H new ATOM 0 HB2 SER A 48 11.903 32.522 1.445 1.00 52.42 H new ATOM 0 HB3 SER A 48 13.453 33.336 1.363 1.00 52.42 H new ATOM 0 HG SER A 48 13.648 31.045 1.066 1.00 3.13 H new ATOM 810 N ASP A 49 10.333 33.874 3.494 1.00 11.14 N ATOM 811 CA ASP A 49 9.224 34.821 3.493 1.00 40.21 C ATOM 812 C ASP A 49 9.021 35.417 2.104 1.00 55.35 C ATOM 813 O ASP A 49 9.199 36.618 1.899 1.00 54.30 O ATOM 814 CB ASP A 49 9.477 35.937 4.508 1.00 31.11 C ATOM 815 CG ASP A 49 8.206 36.668 4.894 1.00 72.51 C ATOM 816 OD1 ASP A 49 7.532 37.203 3.989 1.00 31.13 O ATOM 817 OD2 ASP A 49 7.885 36.705 6.101 1.00 63.24 O ATOM 0 H ASP A 49 10.056 32.901 3.624 1.00 11.14 H new ATOM 0 HA ASP A 49 8.319 34.283 3.775 1.00 40.21 H new ATOM 0 HB2 ASP A 49 9.935 35.514 5.402 1.00 31.11 H new ATOM 0 HB3 ASP A 49 10.190 36.649 4.091 1.00 31.11 H new ATOM 822 N LYS A 50 8.647 34.570 1.151 1.00 62.14 N ATOM 823 CA LYS A 50 8.419 35.011 -0.220 1.00 51.41 C ATOM 824 C LYS A 50 7.879 33.870 -1.076 1.00 41.45 C ATOM 825 O LYS A 50 8.210 33.757 -2.257 1.00 34.20 O ATOM 826 CB LYS A 50 9.717 35.549 -0.827 1.00 53.14 C ATOM 827 CG LYS A 50 10.763 34.476 -1.075 1.00 74.03 C ATOM 828 CD LYS A 50 12.037 34.748 -0.293 1.00 73.22 C ATOM 829 CE LYS A 50 12.695 36.046 -0.734 1.00 41.12 C ATOM 830 NZ LYS A 50 14.179 35.980 -0.625 1.00 52.52 N ATOM 0 H LYS A 50 8.495 33.573 1.303 1.00 62.14 H new ATOM 0 HA LYS A 50 7.677 35.809 -0.200 1.00 51.41 H new ATOM 0 HB2 LYS A 50 9.489 36.047 -1.770 1.00 53.14 H new ATOM 0 HB3 LYS A 50 10.134 36.304 -0.161 1.00 53.14 H new ATOM 0 HG2 LYS A 50 10.362 33.503 -0.792 1.00 74.03 H new ATOM 0 HG3 LYS A 50 10.992 34.429 -2.140 1.00 74.03 H new ATOM 0 HD2 LYS A 50 11.808 34.798 0.772 1.00 73.22 H new ATOM 0 HD3 LYS A 50 12.733 33.921 -0.431 1.00 73.22 H new ATOM 0 HE2 LYS A 50 12.416 36.263 -1.765 1.00 41.12 H new ATOM 0 HE3 LYS A 50 12.322 36.868 -0.123 1.00 41.12 H new ATOM 0 HZ1 LYS A 50 14.590 36.884 -0.935 1.00 52.52 H new ATOM 0 HZ2 LYS A 50 14.447 35.798 0.363 1.00 52.52 H new ATOM 0 HZ3 LYS A 50 14.538 35.212 -1.228 1.00 52.52 H new ATOM 844 N VAL A 51 7.046 33.028 -0.475 1.00 33.34 N ATOM 845 CA VAL A 51 6.458 31.897 -1.183 1.00 11.00 C ATOM 846 C VAL A 51 5.756 32.352 -2.458 1.00 23.22 C ATOM 847 O VAL A 51 5.919 31.748 -3.518 1.00 44.22 O ATOM 848 CB VAL A 51 5.450 31.142 -0.297 1.00 14.15 C ATOM 849 CG1 VAL A 51 4.412 32.101 0.268 1.00 23.31 C ATOM 850 CG2 VAL A 51 4.782 30.024 -1.083 1.00 1.00 C ATOM 0 H VAL A 51 6.762 33.107 0.502 1.00 33.34 H new ATOM 0 HA VAL A 51 7.277 31.226 -1.442 1.00 11.00 H new ATOM 0 HB VAL A 51 5.990 30.696 0.538 1.00 14.15 H new ATOM 0 HG11 VAL A 51 3.708 31.549 0.891 1.00 23.31 H new ATOM 0 HG12 VAL A 51 4.909 32.863 0.869 1.00 23.31 H new ATOM 0 HG13 VAL A 51 3.874 32.579 -0.551 1.00 23.31 H new ATOM 0 HG21 VAL A 51 4.073 29.501 -0.441 1.00 1.00 H new ATOM 0 HG22 VAL A 51 4.254 30.446 -1.939 1.00 1.00 H new ATOM 0 HG23 VAL A 51 5.539 29.323 -1.433 1.00 1.00 H new ATOM 860 N VAL A 52 4.975 33.421 -2.347 1.00 54.22 N ATOM 861 CA VAL A 52 4.249 33.959 -3.492 1.00 15.05 C ATOM 862 C VAL A 52 5.189 34.234 -4.659 1.00 42.23 C ATOM 863 O VAL A 52 4.845 33.996 -5.816 1.00 45.43 O ATOM 864 CB VAL A 52 3.508 35.259 -3.126 1.00 10.12 C ATOM 865 CG1 VAL A 52 2.940 35.919 -4.373 1.00 34.01 C ATOM 866 CG2 VAL A 52 2.408 34.978 -2.113 1.00 3.42 C ATOM 0 H VAL A 52 4.828 33.932 -1.476 1.00 54.22 H new ATOM 0 HA VAL A 52 3.520 33.205 -3.787 1.00 15.05 H new ATOM 0 HB VAL A 52 4.221 35.948 -2.672 1.00 10.12 H new ATOM 0 HG11 VAL A 52 2.420 36.836 -4.095 1.00 34.01 H new ATOM 0 HG12 VAL A 52 3.752 36.157 -5.061 1.00 34.01 H new ATOM 0 HG13 VAL A 52 2.241 35.238 -4.858 1.00 34.01 H new ATOM 0 HG21 VAL A 52 1.895 35.907 -1.866 1.00 3.42 H new ATOM 0 HG22 VAL A 52 1.695 34.271 -2.537 1.00 3.42 H new ATOM 0 HG23 VAL A 52 2.845 34.554 -1.209 1.00 3.42 H new ATOM 876 N GLY A 53 6.380 34.737 -4.347 1.00 51.13 N ATOM 877 CA GLY A 53 7.353 35.036 -5.382 1.00 11.34 C ATOM 878 C GLY A 53 7.855 33.790 -6.083 1.00 52.04 C ATOM 879 O GLY A 53 8.157 33.821 -7.277 1.00 32.12 O ATOM 0 H GLY A 53 6.688 34.943 -3.397 1.00 51.13 H new ATOM 0 HA2 GLY A 53 6.904 35.706 -6.115 1.00 11.34 H new ATOM 0 HA3 GLY A 53 8.197 35.566 -4.941 1.00 11.34 H new ATOM 883 N ILE A 54 7.946 32.691 -5.342 1.00 11.43 N ATOM 884 CA ILE A 54 8.415 31.430 -5.901 1.00 25.24 C ATOM 885 C ILE A 54 7.329 30.760 -6.735 1.00 42.14 C ATOM 886 O ILE A 54 7.617 30.104 -7.738 1.00 13.43 O ATOM 887 CB ILE A 54 8.869 30.459 -4.795 1.00 24.51 C ATOM 888 CG1 ILE A 54 10.007 31.076 -3.979 1.00 14.15 C ATOM 889 CG2 ILE A 54 9.304 29.132 -5.401 1.00 4.45 C ATOM 890 CD1 ILE A 54 9.996 30.668 -2.522 1.00 71.31 C ATOM 0 H ILE A 54 7.701 32.649 -4.353 1.00 11.43 H new ATOM 0 HA ILE A 54 9.266 31.665 -6.540 1.00 25.24 H new ATOM 0 HB ILE A 54 8.028 30.274 -4.127 1.00 24.51 H new ATOM 0 HG12 ILE A 54 10.960 30.786 -4.422 1.00 14.15 H new ATOM 0 HG13 ILE A 54 9.943 32.162 -4.044 1.00 14.15 H new ATOM 0 HG21 ILE A 54 9.622 28.456 -4.607 1.00 4.45 H new ATOM 0 HG22 ILE A 54 8.469 28.688 -5.942 1.00 4.45 H new ATOM 0 HG23 ILE A 54 10.133 29.300 -6.088 1.00 4.45 H new ATOM 0 HD11 ILE A 54 10.830 31.142 -2.005 1.00 71.31 H new ATOM 0 HD12 ILE A 54 9.059 30.982 -2.063 1.00 71.31 H new ATOM 0 HD13 ILE A 54 10.091 29.585 -2.447 1.00 71.31 H new ATOM 902 N LEU A 55 6.080 30.931 -6.317 1.00 70.31 N ATOM 903 CA LEU A 55 4.949 30.344 -7.027 1.00 55.53 C ATOM 904 C LEU A 55 4.994 30.698 -8.510 1.00 50.23 C ATOM 905 O LEU A 55 4.546 29.925 -9.357 1.00 13.53 O ATOM 906 CB LEU A 55 3.632 30.827 -6.416 1.00 50.32 C ATOM 907 CG LEU A 55 3.336 30.348 -4.994 1.00 43.35 C ATOM 908 CD1 LEU A 55 1.939 30.771 -4.569 1.00 31.14 C ATOM 909 CD2 LEU A 55 3.491 28.838 -4.898 1.00 23.44 C ATOM 0 H LEU A 55 5.825 31.471 -5.490 1.00 70.31 H new ATOM 0 HA LEU A 55 5.013 29.260 -6.929 1.00 55.53 H new ATOM 0 HB2 LEU A 55 3.632 31.917 -6.418 1.00 50.32 H new ATOM 0 HB3 LEU A 55 2.815 30.507 -7.063 1.00 50.32 H new ATOM 0 HG LEU A 55 4.055 30.811 -4.317 1.00 43.35 H new ATOM 0 HD11 LEU A 55 1.746 30.422 -3.555 1.00 31.14 H new ATOM 0 HD12 LEU A 55 1.863 31.858 -4.599 1.00 31.14 H new ATOM 0 HD13 LEU A 55 1.205 30.337 -5.248 1.00 31.14 H new ATOM 0 HD21 LEU A 55 3.277 28.514 -3.879 1.00 23.44 H new ATOM 0 HD22 LEU A 55 2.796 28.356 -5.586 1.00 23.44 H new ATOM 0 HD23 LEU A 55 4.512 28.560 -5.160 1.00 23.44 H new ATOM 921 N MET A 56 5.540 31.870 -8.817 1.00 43.23 N ATOM 922 CA MET A 56 5.648 32.324 -10.199 1.00 15.41 C ATOM 923 C MET A 56 6.473 31.347 -11.030 1.00 3.51 C ATOM 924 O MET A 56 6.211 31.152 -12.217 1.00 22.02 O ATOM 925 CB MET A 56 6.278 33.717 -10.253 1.00 12.42 C ATOM 926 CG MET A 56 5.375 34.814 -9.712 1.00 51.31 C ATOM 927 SD MET A 56 5.469 36.332 -10.681 1.00 70.00 S ATOM 928 CE MET A 56 7.192 36.767 -10.462 1.00 4.55 C ATOM 0 H MET A 56 5.914 32.522 -8.128 1.00 43.23 H new ATOM 0 HA MET A 56 4.643 32.371 -10.619 1.00 15.41 H new ATOM 0 HB2 MET A 56 7.207 33.709 -9.683 1.00 12.42 H new ATOM 0 HB3 MET A 56 6.539 33.949 -11.286 1.00 12.42 H new ATOM 0 HG2 MET A 56 4.345 34.458 -9.700 1.00 51.31 H new ATOM 0 HG3 MET A 56 5.650 35.029 -8.679 1.00 51.31 H new ATOM 0 HE1 MET A 56 7.382 37.741 -10.913 1.00 4.55 H new ATOM 0 HE2 MET A 56 7.424 36.809 -9.398 1.00 4.55 H new ATOM 0 HE3 MET A 56 7.821 36.016 -10.941 1.00 4.55 H new ATOM 938 N ARG A 57 7.471 30.737 -10.399 1.00 2.31 N ATOM 939 CA ARG A 57 8.336 29.782 -11.081 1.00 72.01 C ATOM 940 C ARG A 57 7.590 28.482 -11.368 1.00 50.11 C ATOM 941 O ARG A 57 7.524 28.032 -12.512 1.00 12.44 O ATOM 942 CB ARG A 57 9.579 29.494 -10.237 1.00 72.32 C ATOM 943 CG ARG A 57 10.418 28.341 -10.763 1.00 71.40 C ATOM 944 CD ARG A 57 11.597 28.047 -9.848 1.00 52.14 C ATOM 945 NE ARG A 57 12.733 27.493 -10.580 1.00 74.22 N ATOM 946 CZ ARG A 57 13.565 28.226 -11.310 1.00 42.53 C ATOM 947 NH1 ARG A 57 13.390 29.537 -11.405 1.00 0.31 N ATOM 948 NH2 ARG A 57 14.576 27.649 -11.947 1.00 50.12 N ATOM 0 H ARG A 57 7.701 30.887 -9.417 1.00 2.31 H new ATOM 0 HA ARG A 57 8.644 30.221 -12.030 1.00 72.01 H new ATOM 0 HB2 ARG A 57 10.196 30.392 -10.196 1.00 72.32 H new ATOM 0 HB3 ARG A 57 9.271 29.272 -9.215 1.00 72.32 H new ATOM 0 HG2 ARG A 57 9.797 27.450 -10.855 1.00 71.40 H new ATOM 0 HG3 ARG A 57 10.782 28.581 -11.762 1.00 71.40 H new ATOM 0 HD2 ARG A 57 11.903 28.964 -9.345 1.00 52.14 H new ATOM 0 HD3 ARG A 57 11.288 27.346 -9.073 1.00 52.14 H new ATOM 0 HE ARG A 57 12.896 26.487 -10.527 1.00 74.22 H new ATOM 0 HH11 ARG A 57 12.615 29.985 -10.916 1.00 0.31 H new ATOM 0 HH12 ARG A 57 14.031 30.098 -11.967 1.00 0.31 H new ATOM 0 HH21 ARG A 57 14.715 26.641 -11.876 1.00 50.12 H new ATOM 0 HH22 ARG A 57 15.214 28.214 -12.508 1.00 50.12 H new ATOM 962 N ALA A 58 7.031 27.883 -10.322 1.00 14.54 N ATOM 963 CA ALA A 58 6.289 26.637 -10.461 1.00 74.33 C ATOM 964 C ALA A 58 5.110 26.803 -11.415 1.00 0.15 C ATOM 965 O ALA A 58 4.722 25.862 -12.107 1.00 12.01 O ATOM 966 CB ALA A 58 5.806 26.154 -9.101 1.00 41.53 C ATOM 0 H ALA A 58 7.078 28.241 -9.368 1.00 14.54 H new ATOM 0 HA ALA A 58 6.961 25.889 -10.882 1.00 74.33 H new ATOM 0 HB1 ALA A 58 5.253 25.222 -9.221 1.00 41.53 H new ATOM 0 HB2 ALA A 58 6.663 25.986 -8.449 1.00 41.53 H new ATOM 0 HB3 ALA A 58 5.155 26.907 -8.657 1.00 41.53 H new ATOM 972 N ARG A 59 4.544 28.005 -11.444 1.00 43.34 N ATOM 973 CA ARG A 59 3.408 28.294 -12.311 1.00 64.25 C ATOM 974 C ARG A 59 3.804 28.181 -13.781 1.00 34.10 C ATOM 975 O ARG A 59 2.971 27.885 -14.638 1.00 61.53 O ATOM 976 CB ARG A 59 2.864 29.694 -12.025 1.00 14.40 C ATOM 977 CG ARG A 59 1.433 29.900 -12.496 1.00 21.52 C ATOM 978 CD ARG A 59 1.387 30.542 -13.873 1.00 53.41 C ATOM 979 NE ARG A 59 0.054 30.470 -14.467 1.00 22.45 N ATOM 980 CZ ARG A 59 -0.341 31.230 -15.482 1.00 24.41 C ATOM 981 NH1 ARG A 59 0.491 32.115 -16.014 1.00 73.33 N ATOM 982 NH2 ARG A 59 -1.569 31.105 -15.967 1.00 73.32 N ATOM 0 H ARG A 59 4.854 28.794 -10.877 1.00 43.34 H new ATOM 0 HA ARG A 59 2.629 27.560 -12.104 1.00 64.25 H new ATOM 0 HB2 ARG A 59 2.915 29.882 -10.953 1.00 14.40 H new ATOM 0 HB3 ARG A 59 3.506 30.430 -12.509 1.00 14.40 H new ATOM 0 HG2 ARG A 59 0.916 28.941 -12.523 1.00 21.52 H new ATOM 0 HG3 ARG A 59 0.901 30.529 -11.782 1.00 21.52 H new ATOM 0 HD2 ARG A 59 1.694 31.585 -13.797 1.00 53.41 H new ATOM 0 HD3 ARG A 59 2.103 30.046 -14.528 1.00 53.41 H new ATOM 0 HE ARG A 59 -0.610 29.799 -14.081 1.00 22.45 H new ATOM 0 HH11 ARG A 59 1.436 32.213 -15.644 1.00 73.33 H new ATOM 0 HH12 ARG A 59 0.186 32.698 -16.794 1.00 73.33 H new ATOM 0 HH21 ARG A 59 -2.211 30.425 -15.560 1.00 73.32 H new ATOM 0 HH22 ARG A 59 -1.871 31.689 -16.747 1.00 73.32 H new ATOM 996 N LYS A 60 5.079 28.420 -14.065 1.00 64.21 N ATOM 997 CA LYS A 60 5.587 28.345 -15.430 1.00 31.40 C ATOM 998 C LYS A 60 5.206 27.018 -16.080 1.00 0.22 C ATOM 999 O LYS A 60 4.966 26.953 -17.286 1.00 20.52 O ATOM 1000 CB LYS A 60 7.108 28.512 -15.440 1.00 61.43 C ATOM 1001 CG LYS A 60 7.577 29.849 -14.895 1.00 12.41 C ATOM 1002 CD LYS A 60 7.829 30.849 -16.011 1.00 14.30 C ATOM 1003 CE LYS A 60 6.651 31.796 -16.188 1.00 21.34 C ATOM 1004 NZ LYS A 60 7.092 33.212 -16.315 1.00 2.33 N ATOM 0 H LYS A 60 5.781 28.668 -13.367 1.00 64.21 H new ATOM 0 HA LYS A 60 5.135 29.154 -16.004 1.00 31.40 H new ATOM 0 HB2 LYS A 60 7.557 27.712 -14.851 1.00 61.43 H new ATOM 0 HB3 LYS A 60 7.471 28.398 -16.462 1.00 61.43 H new ATOM 0 HG2 LYS A 60 6.828 30.247 -14.211 1.00 12.41 H new ATOM 0 HG3 LYS A 60 8.491 29.707 -14.319 1.00 12.41 H new ATOM 0 HD2 LYS A 60 8.729 31.423 -15.790 1.00 14.30 H new ATOM 0 HD3 LYS A 60 8.012 30.316 -16.944 1.00 14.30 H new ATOM 0 HE2 LYS A 60 6.086 31.511 -17.075 1.00 21.34 H new ATOM 0 HE3 LYS A 60 5.977 31.700 -15.337 1.00 21.34 H new ATOM 0 HZ1 LYS A 60 6.260 33.825 -16.434 1.00 2.33 H new ATOM 0 HZ2 LYS A 60 7.609 33.493 -15.458 1.00 2.33 H new ATOM 0 HZ3 LYS A 60 7.715 33.309 -17.142 1.00 2.33 H new ATOM 1018 N HIS A 61 5.151 25.963 -15.273 1.00 1.21 N ATOM 1019 CA HIS A 61 4.797 24.638 -15.770 1.00 0.33 C ATOM 1020 C HIS A 61 3.468 24.175 -15.181 1.00 73.14 C ATOM 1021 O HIS A 61 3.263 22.985 -14.945 1.00 62.03 O ATOM 1022 CB HIS A 61 5.897 23.632 -15.430 1.00 11.23 C ATOM 1023 CG HIS A 61 7.103 23.742 -16.312 1.00 35.04 C ATOM 1024 ND1 HIS A 61 7.166 23.188 -17.573 1.00 35.44 N ATOM 1025 CD2 HIS A 61 8.295 24.349 -16.109 1.00 25.51 C ATOM 1026 CE1 HIS A 61 8.346 23.447 -18.107 1.00 33.24 C ATOM 1027 NE2 HIS A 61 9.050 24.151 -17.239 1.00 22.52 N ATOM 0 H HIS A 61 5.347 26.000 -14.273 1.00 1.21 H new ATOM 0 HA HIS A 61 4.693 24.699 -16.853 1.00 0.33 H new ATOM 0 HB2 HIS A 61 6.201 23.775 -14.393 1.00 11.23 H new ATOM 0 HB3 HIS A 61 5.492 22.623 -15.507 1.00 11.23 H new ATOM 0 HD2 HIS A 61 8.597 24.889 -15.223 1.00 25.51 H new ATOM 0 HE1 HIS A 61 8.679 23.136 -19.086 1.00 33.24 H new ATOM 0 HE2 HIS A 61 10.000 24.492 -17.384 1.00 22.52 H new ATOM 1035 N GLY A 62 2.567 25.124 -14.946 1.00 51.22 N ATOM 1036 CA GLY A 62 1.269 24.793 -14.387 1.00 4.34 C ATOM 1037 C GLY A 62 1.377 23.956 -13.127 1.00 44.44 C ATOM 1038 O GLY A 62 0.998 22.785 -13.117 1.00 60.42 O ATOM 0 H GLY A 62 2.713 26.116 -15.133 1.00 51.22 H new ATOM 0 HA2 GLY A 62 0.728 25.712 -14.164 1.00 4.34 H new ATOM 0 HA3 GLY A 62 0.684 24.251 -15.130 1.00 4.34 H new ATOM 1042 N LEU A 63 1.898 24.557 -12.063 1.00 35.03 N ATOM 1043 CA LEU A 63 2.056 23.859 -10.792 1.00 23.32 C ATOM 1044 C LEU A 63 1.156 24.466 -9.721 1.00 31.23 C ATOM 1045 O LEU A 63 0.753 23.787 -8.776 1.00 0.33 O ATOM 1046 CB LEU A 63 3.516 23.912 -10.337 1.00 70.42 C ATOM 1047 CG LEU A 63 3.848 23.147 -9.055 1.00 71.35 C ATOM 1048 CD1 LEU A 63 3.468 23.966 -7.832 1.00 21.44 C ATOM 1049 CD2 LEU A 63 3.139 21.800 -9.039 1.00 44.13 C ATOM 0 H LEU A 63 2.218 25.525 -12.055 1.00 35.03 H new ATOM 0 HA LEU A 63 1.764 22.819 -10.938 1.00 23.32 H new ATOM 0 HB2 LEU A 63 4.141 23.522 -11.141 1.00 70.42 H new ATOM 0 HB3 LEU A 63 3.794 24.956 -10.195 1.00 70.42 H new ATOM 0 HG LEU A 63 4.923 22.969 -9.028 1.00 71.35 H new ATOM 0 HD11 LEU A 63 3.711 23.406 -6.929 1.00 21.44 H new ATOM 0 HD12 LEU A 63 4.021 24.905 -7.837 1.00 21.44 H new ATOM 0 HD13 LEU A 63 2.398 24.175 -7.852 1.00 21.44 H new ATOM 0 HD21 LEU A 63 3.387 21.269 -8.120 1.00 44.13 H new ATOM 0 HD22 LEU A 63 2.061 21.955 -9.089 1.00 44.13 H new ATOM 0 HD23 LEU A 63 3.461 21.209 -9.897 1.00 44.13 H new ATOM 1061 N VAL A 64 0.842 25.748 -9.876 1.00 11.11 N ATOM 1062 CA VAL A 64 -0.014 26.446 -8.924 1.00 41.32 C ATOM 1063 C VAL A 64 -1.295 26.934 -9.592 1.00 22.12 C ATOM 1064 O VAL A 64 -1.255 27.733 -10.528 1.00 4.34 O ATOM 1065 CB VAL A 64 0.713 27.649 -8.293 1.00 72.20 C ATOM 1066 CG1 VAL A 64 1.823 27.176 -7.366 1.00 74.05 C ATOM 1067 CG2 VAL A 64 1.264 28.565 -9.375 1.00 4.12 C ATOM 0 H VAL A 64 1.168 26.325 -10.652 1.00 11.11 H new ATOM 0 HA VAL A 64 -0.266 25.731 -8.141 1.00 41.32 H new ATOM 0 HB VAL A 64 -0.005 28.216 -7.700 1.00 72.20 H new ATOM 0 HG11 VAL A 64 2.325 28.039 -6.930 1.00 74.05 H new ATOM 0 HG12 VAL A 64 1.397 26.564 -6.571 1.00 74.05 H new ATOM 0 HG13 VAL A 64 2.543 26.585 -7.932 1.00 74.05 H new ATOM 0 HG21 VAL A 64 1.774 29.409 -8.912 1.00 4.12 H new ATOM 0 HG22 VAL A 64 1.968 28.012 -9.996 1.00 4.12 H new ATOM 0 HG23 VAL A 64 0.445 28.931 -9.994 1.00 4.12 H new ATOM 1077 N HIS A 65 -2.432 26.448 -9.104 1.00 61.53 N ATOM 1078 CA HIS A 65 -3.727 26.835 -9.653 1.00 64.32 C ATOM 1079 C HIS A 65 -4.244 28.103 -8.982 1.00 0.24 C ATOM 1080 O HIS A 65 -5.381 28.518 -9.208 1.00 2.21 O ATOM 1081 CB HIS A 65 -4.738 25.702 -9.478 1.00 31.25 C ATOM 1082 CG HIS A 65 -5.735 25.611 -10.591 1.00 55.32 C ATOM 1083 ND1 HIS A 65 -6.622 24.563 -10.724 1.00 43.35 N ATOM 1084 CD2 HIS A 65 -5.985 26.447 -11.626 1.00 50.02 C ATOM 1085 CE1 HIS A 65 -7.372 24.757 -11.794 1.00 40.43 C ATOM 1086 NE2 HIS A 65 -7.006 25.894 -12.359 1.00 70.12 N ATOM 0 H HIS A 65 -2.483 25.786 -8.330 1.00 61.53 H new ATOM 0 HA HIS A 65 -3.598 27.035 -10.717 1.00 64.32 H new ATOM 0 HB2 HIS A 65 -4.202 24.756 -9.404 1.00 31.25 H new ATOM 0 HB3 HIS A 65 -5.269 25.842 -8.536 1.00 31.25 H new ATOM 0 HD2 HIS A 65 -5.476 27.376 -11.836 1.00 50.02 H new ATOM 0 HE1 HIS A 65 -8.152 24.098 -12.147 1.00 40.43 H new ATOM 0 HE2 HIS A 65 -7.415 26.296 -13.203 1.00 70.12 H new ATOM 1094 N PHE A 66 -3.403 28.714 -8.154 1.00 45.33 N ATOM 1095 CA PHE A 66 -3.775 29.935 -7.448 1.00 75.43 C ATOM 1096 C PHE A 66 -4.090 31.058 -8.432 1.00 64.22 C ATOM 1097 O PHE A 66 -3.699 31.003 -9.598 1.00 20.53 O ATOM 1098 CB PHE A 66 -2.651 30.367 -6.505 1.00 11.20 C ATOM 1099 CG PHE A 66 -1.581 31.177 -7.179 1.00 53.54 C ATOM 1100 CD1 PHE A 66 -0.985 30.727 -8.346 1.00 42.42 C ATOM 1101 CD2 PHE A 66 -1.172 32.389 -6.646 1.00 42.13 C ATOM 1102 CE1 PHE A 66 0.000 31.471 -8.970 1.00 33.24 C ATOM 1103 CE2 PHE A 66 -0.188 33.137 -7.265 1.00 71.14 C ATOM 1104 CZ PHE A 66 0.399 32.677 -8.428 1.00 22.32 C ATOM 0 H PHE A 66 -2.459 28.383 -7.955 1.00 45.33 H new ATOM 0 HA PHE A 66 -4.671 29.728 -6.862 1.00 75.43 H new ATOM 0 HB2 PHE A 66 -3.077 30.950 -5.688 1.00 11.20 H new ATOM 0 HB3 PHE A 66 -2.199 29.480 -6.061 1.00 11.20 H new ATOM 0 HD1 PHE A 66 -1.293 29.784 -8.773 1.00 42.42 H new ATOM 0 HD2 PHE A 66 -1.627 32.753 -5.737 1.00 42.13 H new ATOM 0 HE1 PHE A 66 0.456 31.109 -9.880 1.00 33.24 H new ATOM 0 HE2 PHE A 66 0.122 34.080 -6.840 1.00 71.14 H new ATOM 0 HZ PHE A 66 1.169 33.260 -8.913 1.00 22.32 H new ATOM 1168 N LEU A 71 -0.497 37.466 -4.267 1.00 63.33 N ATOM 1169 CA LEU A 71 -1.426 37.309 -3.154 1.00 12.21 C ATOM 1170 C LEU A 71 -1.024 38.197 -1.980 1.00 74.32 C ATOM 1171 O LEU A 71 0.100 38.118 -1.486 1.00 63.52 O ATOM 1172 CB LEU A 71 -1.477 35.847 -2.708 1.00 74.22 C ATOM 1173 CG LEU A 71 -1.786 34.823 -3.801 1.00 30.42 C ATOM 1174 CD1 LEU A 71 -1.968 33.438 -3.199 1.00 13.15 C ATOM 1175 CD2 LEU A 71 -3.025 35.234 -4.582 1.00 74.54 C ATOM 0 HA LEU A 71 -2.416 37.613 -3.494 1.00 12.21 H new ATOM 0 HB2 LEU A 71 -0.517 35.591 -2.259 1.00 74.22 H new ATOM 0 HB3 LEU A 71 -2.230 35.752 -1.926 1.00 74.22 H new ATOM 0 HG LEU A 71 -0.942 34.789 -4.490 1.00 30.42 H new ATOM 0 HD11 LEU A 71 -2.187 32.723 -3.992 1.00 13.15 H new ATOM 0 HD12 LEU A 71 -1.053 33.142 -2.685 1.00 13.15 H new ATOM 0 HD13 LEU A 71 -2.794 33.456 -2.488 1.00 13.15 H new ATOM 0 HD21 LEU A 71 -3.230 34.494 -5.355 1.00 74.54 H new ATOM 0 HD22 LEU A 71 -3.877 35.297 -3.905 1.00 74.54 H new ATOM 0 HD23 LEU A 71 -2.857 36.206 -5.046 1.00 74.54 H new ATOM 1187 N TRP A 72 -1.951 39.039 -1.538 1.00 32.31 N ATOM 1188 CA TRP A 72 -1.694 39.940 -0.420 1.00 60.31 C ATOM 1189 C TRP A 72 -2.097 39.296 0.902 1.00 61.21 C ATOM 1190 O TRP A 72 -3.235 38.859 1.067 1.00 15.24 O ATOM 1191 CB TRP A 72 -2.452 41.254 -0.613 1.00 42.32 C ATOM 1192 CG TRP A 72 -2.294 41.835 -1.986 1.00 21.21 C ATOM 1193 CD1 TRP A 72 -3.293 42.230 -2.828 1.00 53.25 C ATOM 1194 CD2 TRP A 72 -1.064 42.083 -2.675 1.00 3.20 C ATOM 1195 NE1 TRP A 72 -2.758 42.709 -4.000 1.00 54.30 N ATOM 1196 CE2 TRP A 72 -1.393 42.631 -3.930 1.00 63.35 C ATOM 1197 CE3 TRP A 72 0.284 41.898 -2.353 1.00 55.41 C ATOM 1198 CZ2 TRP A 72 -0.423 42.993 -4.862 1.00 22.34 C ATOM 1199 CZ3 TRP A 72 1.245 42.258 -3.278 1.00 72.24 C ATOM 1200 CH2 TRP A 72 0.888 42.801 -4.520 1.00 63.40 C ATOM 0 H TRP A 72 -2.887 39.117 -1.936 1.00 32.31 H new ATOM 0 HA TRP A 72 -0.624 40.147 -0.391 1.00 60.31 H new ATOM 0 HB2 TRP A 72 -3.511 41.086 -0.417 1.00 42.32 H new ATOM 0 HB3 TRP A 72 -2.102 41.978 0.123 1.00 42.32 H new ATOM 0 HD1 TRP A 72 -4.348 42.174 -2.606 1.00 53.25 H new ATOM 0 HE1 TRP A 72 -3.291 43.065 -4.793 1.00 54.30 H new ATOM 0 HE3 TRP A 72 0.569 41.481 -1.398 1.00 55.41 H new ATOM 0 HZ2 TRP A 72 -0.696 43.410 -5.820 1.00 22.34 H new ATOM 0 HZ3 TRP A 72 2.289 42.119 -3.040 1.00 72.24 H new ATOM 0 HH2 TRP A 72 1.663 43.073 -5.221 1.00 63.40 H new ATOM 1211 N GLN A 73 -1.156 39.241 1.839 1.00 32.33 N ATOM 1212 CA GLN A 73 -1.415 38.649 3.147 1.00 51.14 C ATOM 1213 C GLN A 73 -2.560 39.368 3.853 1.00 42.34 C ATOM 1214 O GLN A 73 -2.494 40.573 4.095 1.00 70.41 O ATOM 1215 CB GLN A 73 -0.154 38.700 4.012 1.00 74.05 C ATOM 1216 CG GLN A 73 -0.115 37.632 5.093 1.00 62.04 C ATOM 1217 CD GLN A 73 0.095 38.211 6.478 1.00 54.22 C ATOM 1218 OE1 GLN A 73 1.222 38.288 6.967 1.00 11.41 O ATOM 1219 NE2 GLN A 73 -0.993 38.623 7.118 1.00 34.44 N ATOM 0 H GLN A 73 -0.208 39.599 1.717 1.00 32.33 H new ATOM 0 HA GLN A 73 -1.702 37.608 2.997 1.00 51.14 H new ATOM 0 HB2 GLN A 73 0.721 38.589 3.371 1.00 74.05 H new ATOM 0 HB3 GLN A 73 -0.084 39.682 4.480 1.00 74.05 H new ATOM 0 HG2 GLN A 73 -1.048 37.069 5.076 1.00 62.04 H new ATOM 0 HG3 GLN A 73 0.686 36.927 4.873 1.00 62.04 H new ATOM 0 HE21 GLN A 73 -1.908 38.540 6.674 1.00 34.44 H new ATOM 0 HE22 GLN A 73 -0.914 39.022 8.053 1.00 34.44 H new ATOM 1228 N GLY A 74 -3.610 38.621 4.180 1.00 24.11 N ATOM 1229 CA GLY A 74 -4.754 39.205 4.855 1.00 73.44 C ATOM 1230 C GLY A 74 -5.941 39.388 3.930 1.00 71.45 C ATOM 1231 O GLY A 74 -7.067 39.594 4.384 1.00 5.40 O ATOM 0 H GLY A 74 -3.689 37.622 3.990 1.00 24.11 H new ATOM 0 HA2 GLY A 74 -5.043 38.568 5.691 1.00 73.44 H new ATOM 0 HA3 GLY A 74 -4.471 40.171 5.274 1.00 73.44 H new ATOM 1235 N LYS A 75 -5.691 39.313 2.627 1.00 43.43 N ATOM 1236 CA LYS A 75 -6.747 39.473 1.634 1.00 64.31 C ATOM 1237 C LYS A 75 -6.841 38.242 0.738 1.00 33.32 C ATOM 1238 O LYS A 75 -7.924 37.692 0.535 1.00 30.24 O ATOM 1239 CB LYS A 75 -6.490 40.718 0.782 1.00 72.11 C ATOM 1240 CG LYS A 75 -6.325 41.989 1.597 1.00 54.02 C ATOM 1241 CD LYS A 75 -7.659 42.489 2.126 1.00 31.33 C ATOM 1242 CE LYS A 75 -7.993 43.869 1.582 1.00 51.20 C ATOM 1243 NZ LYS A 75 -9.396 44.262 1.890 1.00 40.32 N ATOM 0 H LYS A 75 -4.765 39.142 2.234 1.00 43.43 H new ATOM 0 HA LYS A 75 -7.693 39.591 2.162 1.00 64.31 H new ATOM 0 HB2 LYS A 75 -5.592 40.560 0.185 1.00 72.11 H new ATOM 0 HB3 LYS A 75 -7.318 40.848 0.085 1.00 72.11 H new ATOM 0 HG2 LYS A 75 -5.649 41.802 2.431 1.00 54.02 H new ATOM 0 HG3 LYS A 75 -5.865 42.761 0.980 1.00 54.02 H new ATOM 0 HD2 LYS A 75 -8.447 41.788 1.850 1.00 31.33 H new ATOM 0 HD3 LYS A 75 -7.630 42.523 3.215 1.00 31.33 H new ATOM 0 HE2 LYS A 75 -7.309 44.603 2.008 1.00 51.20 H new ATOM 0 HE3 LYS A 75 -7.841 43.880 0.503 1.00 51.20 H new ATOM 0 HZ1 LYS A 75 -9.584 45.209 1.502 1.00 40.32 H new ATOM 0 HZ2 LYS A 75 -10.050 43.576 1.462 1.00 40.32 H new ATOM 0 HZ3 LYS A 75 -9.534 44.276 2.921 1.00 40.32 H new ATOM 1257 N ASP A 76 -5.702 37.814 0.206 1.00 22.32 N ATOM 1258 CA ASP A 76 -5.656 36.646 -0.666 1.00 32.32 C ATOM 1259 C ASP A 76 -5.316 35.388 0.128 1.00 52.02 C ATOM 1260 O ASP A 76 -4.974 34.354 -0.446 1.00 31.33 O ATOM 1261 CB ASP A 76 -4.629 36.854 -1.780 1.00 11.12 C ATOM 1262 CG ASP A 76 -5.229 37.518 -3.003 1.00 40.35 C ATOM 1263 OD1 ASP A 76 -6.299 37.064 -3.461 1.00 42.11 O ATOM 1264 OD2 ASP A 76 -4.629 38.493 -3.503 1.00 72.31 O ATOM 0 H ASP A 76 -4.797 38.258 0.363 1.00 22.32 H new ATOM 0 HA ASP A 76 -6.642 36.517 -1.112 1.00 32.32 H new ATOM 0 HB2 ASP A 76 -3.808 37.465 -1.404 1.00 11.12 H new ATOM 0 HB3 ASP A 76 -4.205 35.891 -2.064 1.00 11.12 H new ATOM 1269 N ASP A 77 -5.412 35.485 1.449 1.00 25.22 N ATOM 1270 CA ASP A 77 -5.114 34.355 2.322 1.00 10.11 C ATOM 1271 C ASP A 77 -6.058 33.190 2.044 1.00 74.13 C ATOM 1272 O ASP A 77 -5.718 32.031 2.282 1.00 33.45 O ATOM 1273 CB ASP A 77 -5.220 34.775 3.789 1.00 33.30 C ATOM 1274 CG ASP A 77 -6.621 35.218 4.164 1.00 5.42 C ATOM 1275 OD1 ASP A 77 -7.138 36.156 3.522 1.00 52.30 O ATOM 1276 OD2 ASP A 77 -7.199 34.627 5.100 1.00 51.34 O ATOM 0 H ASP A 77 -5.694 36.334 1.939 1.00 25.22 H new ATOM 0 HA ASP A 77 -4.094 34.029 2.118 1.00 10.11 H new ATOM 0 HB2 ASP A 77 -4.923 33.941 4.425 1.00 33.30 H new ATOM 0 HB3 ASP A 77 -4.521 35.588 3.983 1.00 33.30 H new ATOM 1281 N HIS A 78 -7.247 33.506 1.538 1.00 23.53 N ATOM 1282 CA HIS A 78 -8.241 32.485 1.228 1.00 71.41 C ATOM 1283 C HIS A 78 -7.828 31.680 -0.001 1.00 20.44 C ATOM 1284 O HIS A 78 -8.327 30.578 -0.231 1.00 14.14 O ATOM 1285 CB HIS A 78 -9.608 33.128 0.994 1.00 11.42 C ATOM 1286 CG HIS A 78 -9.645 34.041 -0.192 1.00 51.45 C ATOM 1287 ND1 HIS A 78 -9.758 35.411 -0.085 1.00 15.44 N ATOM 1288 CD2 HIS A 78 -9.581 33.774 -1.518 1.00 32.22 C ATOM 1289 CE1 HIS A 78 -9.765 35.947 -1.292 1.00 65.13 C ATOM 1290 NE2 HIS A 78 -9.658 34.975 -2.180 1.00 23.52 N ATOM 0 H HIS A 78 -7.545 34.460 1.334 1.00 23.53 H new ATOM 0 HA HIS A 78 -8.307 31.808 2.079 1.00 71.41 H new ATOM 0 HB2 HIS A 78 -10.352 32.342 0.861 1.00 11.42 H new ATOM 0 HB3 HIS A 78 -9.893 33.690 1.884 1.00 11.42 H new ATOM 0 HD2 HIS A 78 -9.487 32.798 -1.971 1.00 32.22 H new ATOM 0 HE1 HIS A 78 -9.845 37.001 -1.515 1.00 65.13 H new ATOM 0 HE2 HIS A 78 -9.636 35.097 -3.192 1.00 23.52 H new ATOM 1298 N VAL A 79 -6.913 32.237 -0.788 1.00 14.44 N ATOM 1299 CA VAL A 79 -6.433 31.572 -1.992 1.00 61.45 C ATOM 1300 C VAL A 79 -5.886 30.185 -1.673 1.00 73.31 C ATOM 1301 O VAL A 79 -4.885 30.047 -0.970 1.00 33.22 O ATOM 1302 CB VAL A 79 -5.335 32.396 -2.689 1.00 44.34 C ATOM 1303 CG1 VAL A 79 -4.779 31.641 -3.887 1.00 42.43 C ATOM 1304 CG2 VAL A 79 -5.875 33.755 -3.109 1.00 5.21 C ATOM 0 H VAL A 79 -6.489 33.148 -0.612 1.00 14.44 H new ATOM 0 HA VAL A 79 -7.287 31.478 -2.663 1.00 61.45 H new ATOM 0 HB VAL A 79 -4.521 32.556 -1.982 1.00 44.34 H new ATOM 0 HG11 VAL A 79 -4.004 32.239 -4.367 1.00 42.43 H new ATOM 0 HG12 VAL A 79 -4.353 30.694 -3.555 1.00 42.43 H new ATOM 0 HG13 VAL A 79 -5.581 31.448 -4.599 1.00 42.43 H new ATOM 0 HG21 VAL A 79 -5.086 34.324 -3.600 1.00 5.21 H new ATOM 0 HG22 VAL A 79 -6.707 33.618 -3.800 1.00 5.21 H new ATOM 0 HG23 VAL A 79 -6.220 34.298 -2.229 1.00 5.21 H new ATOM 1314 N VAL A 80 -6.550 29.158 -2.195 1.00 52.33 N ATOM 1315 CA VAL A 80 -6.130 27.781 -1.968 1.00 33.25 C ATOM 1316 C VAL A 80 -5.168 27.313 -3.053 1.00 44.02 C ATOM 1317 O VAL A 80 -5.526 27.250 -4.230 1.00 32.25 O ATOM 1318 CB VAL A 80 -7.338 26.826 -1.922 1.00 11.13 C ATOM 1319 CG1 VAL A 80 -6.873 25.379 -1.858 1.00 12.24 C ATOM 1320 CG2 VAL A 80 -8.235 27.159 -0.739 1.00 55.34 C ATOM 0 H VAL A 80 -7.381 29.254 -2.778 1.00 52.33 H new ATOM 0 HA VAL A 80 -5.623 27.761 -1.004 1.00 33.25 H new ATOM 0 HB VAL A 80 -7.917 26.956 -2.836 1.00 11.13 H new ATOM 0 HG11 VAL A 80 -7.740 24.719 -1.826 1.00 12.24 H new ATOM 0 HG12 VAL A 80 -6.275 25.150 -2.740 1.00 12.24 H new ATOM 0 HG13 VAL A 80 -6.270 25.230 -0.962 1.00 12.24 H new ATOM 0 HG21 VAL A 80 -9.083 26.475 -0.722 1.00 55.34 H new ATOM 0 HG22 VAL A 80 -7.669 27.058 0.187 1.00 55.34 H new ATOM 0 HG23 VAL A 80 -8.597 28.183 -0.833 1.00 55.34 H new ATOM 1330 N ILE A 81 -3.944 26.986 -2.651 1.00 33.14 N ATOM 1331 CA ILE A 81 -2.930 26.522 -3.589 1.00 52.23 C ATOM 1332 C ILE A 81 -2.855 24.999 -3.610 1.00 13.24 C ATOM 1333 O ILE A 81 -2.396 24.376 -2.652 1.00 62.32 O ATOM 1334 CB ILE A 81 -1.541 27.089 -3.242 1.00 63.42 C ATOM 1335 CG1 ILE A 81 -1.569 28.618 -3.265 1.00 52.23 C ATOM 1336 CG2 ILE A 81 -0.495 26.558 -4.212 1.00 12.13 C ATOM 1337 CD1 ILE A 81 -1.618 29.243 -1.888 1.00 65.44 C ATOM 0 H ILE A 81 -3.631 27.034 -1.681 1.00 33.14 H new ATOM 0 HA ILE A 81 -3.224 26.882 -4.575 1.00 52.23 H new ATOM 0 HB ILE A 81 -1.274 26.765 -2.236 1.00 63.42 H new ATOM 0 HG12 ILE A 81 -0.685 28.982 -3.789 1.00 52.23 H new ATOM 0 HG13 ILE A 81 -2.436 28.949 -3.836 1.00 52.23 H new ATOM 0 HG21 ILE A 81 0.482 26.968 -3.954 1.00 12.13 H new ATOM 0 HG22 ILE A 81 -0.460 25.470 -4.150 1.00 12.13 H new ATOM 0 HG23 ILE A 81 -0.756 26.855 -5.228 1.00 12.13 H new ATOM 0 HD11 ILE A 81 -1.636 30.329 -1.982 1.00 65.44 H new ATOM 0 HD12 ILE A 81 -2.516 28.909 -1.369 1.00 65.44 H new ATOM 0 HD13 ILE A 81 -0.737 28.942 -1.320 1.00 65.44 H new ATOM 1349 N THR A 82 -3.309 24.404 -4.709 1.00 2.43 N ATOM 1350 CA THR A 82 -3.293 22.954 -4.855 1.00 40.51 C ATOM 1351 C THR A 82 -2.133 22.503 -5.736 1.00 15.41 C ATOM 1352 O THR A 82 -2.111 22.775 -6.937 1.00 62.33 O ATOM 1353 CB THR A 82 -4.612 22.436 -5.458 1.00 14.23 C ATOM 1354 OG1 THR A 82 -4.473 21.061 -5.833 1.00 42.42 O ATOM 1355 CG2 THR A 82 -5.013 23.260 -6.672 1.00 15.53 C ATOM 0 H THR A 82 -3.692 24.904 -5.511 1.00 2.43 H new ATOM 0 HA THR A 82 -3.170 22.537 -3.856 1.00 40.51 H new ATOM 0 HB THR A 82 -5.392 22.529 -4.702 1.00 14.23 H new ATOM 0 HG1 THR A 82 -5.316 20.739 -6.214 1.00 42.42 H new ATOM 0 HG21 THR A 82 -5.947 22.875 -7.080 1.00 15.53 H new ATOM 0 HG22 THR A 82 -5.147 24.301 -6.377 1.00 15.53 H new ATOM 0 HG23 THR A 82 -4.232 23.195 -7.430 1.00 15.53 H new ATOM 1363 N LEU A 83 -1.172 21.813 -5.133 1.00 11.24 N ATOM 1364 CA LEU A 83 -0.008 21.323 -5.863 1.00 54.01 C ATOM 1365 C LEU A 83 -0.430 20.615 -7.147 1.00 23.13 C ATOM 1366 O LEU A 83 -0.926 19.488 -7.113 1.00 24.13 O ATOM 1367 CB LEU A 83 0.805 20.371 -4.985 1.00 64.43 C ATOM 1368 CG LEU A 83 2.308 20.319 -5.265 1.00 32.23 C ATOM 1369 CD1 LEU A 83 2.942 21.681 -5.030 1.00 12.04 C ATOM 1370 CD2 LEU A 83 2.975 19.261 -4.398 1.00 4.11 C ATOM 0 H LEU A 83 -1.176 21.580 -4.140 1.00 11.24 H new ATOM 0 HA LEU A 83 0.611 22.180 -6.129 1.00 54.01 H new ATOM 0 HB2 LEU A 83 0.659 20.656 -3.943 1.00 64.43 H new ATOM 0 HB3 LEU A 83 0.399 19.366 -5.100 1.00 64.43 H new ATOM 0 HG LEU A 83 2.455 20.049 -6.311 1.00 32.23 H new ATOM 0 HD11 LEU A 83 4.011 21.625 -5.234 1.00 12.04 H new ATOM 0 HD12 LEU A 83 2.484 22.415 -5.693 1.00 12.04 H new ATOM 0 HD13 LEU A 83 2.786 21.981 -3.994 1.00 12.04 H new ATOM 0 HD21 LEU A 83 4.044 19.238 -4.610 1.00 4.11 H new ATOM 0 HD22 LEU A 83 2.819 19.501 -3.346 1.00 4.11 H new ATOM 0 HD23 LEU A 83 2.540 18.285 -4.616 1.00 4.11 H new ATOM 1382 N LEU A 84 -0.228 21.282 -8.278 1.00 24.23 N ATOM 1383 CA LEU A 84 -0.584 20.716 -9.574 1.00 33.41 C ATOM 1384 C LEU A 84 0.607 20.000 -10.202 1.00 63.01 C ATOM 1385 O LEU A 84 1.343 20.582 -10.998 1.00 5.22 O ATOM 1386 CB LEU A 84 -1.086 21.815 -10.512 1.00 31.20 C ATOM 1387 CG LEU A 84 -2.414 22.469 -10.129 1.00 52.05 C ATOM 1388 CD1 LEU A 84 -2.855 23.450 -11.205 1.00 34.32 C ATOM 1389 CD2 LEU A 84 -3.483 21.411 -9.899 1.00 72.22 C ATOM 0 H LEU A 84 0.181 22.216 -8.324 1.00 24.23 H new ATOM 0 HA LEU A 84 -1.380 19.988 -9.418 1.00 33.41 H new ATOM 0 HB2 LEU A 84 -0.324 22.592 -10.569 1.00 31.20 H new ATOM 0 HB3 LEU A 84 -1.187 21.393 -11.512 1.00 31.20 H new ATOM 0 HG LEU A 84 -2.271 23.020 -9.200 1.00 52.05 H new ATOM 0 HD11 LEU A 84 -3.802 23.906 -10.916 1.00 34.32 H new ATOM 0 HD12 LEU A 84 -2.099 24.226 -11.321 1.00 34.32 H new ATOM 0 HD13 LEU A 84 -2.981 22.921 -12.150 1.00 34.32 H new ATOM 0 HD21 LEU A 84 -4.421 21.895 -9.627 1.00 72.22 H new ATOM 0 HD22 LEU A 84 -3.624 20.832 -10.812 1.00 72.22 H new ATOM 0 HD23 LEU A 84 -3.170 20.747 -9.093 1.00 72.22 H new ATOM 1401 N GLU A 85 0.789 18.734 -9.840 1.00 73.32 N ATOM 1402 CA GLU A 85 1.890 17.939 -10.370 1.00 63.21 C ATOM 1403 C GLU A 85 1.374 16.661 -11.024 1.00 74.25 C ATOM 1404 O GLU A 85 0.533 15.960 -10.462 1.00 25.25 O ATOM 1405 CB GLU A 85 2.879 17.590 -9.256 1.00 3.42 C ATOM 1406 CG GLU A 85 3.868 18.703 -8.950 1.00 21.23 C ATOM 1407 CD GLU A 85 5.284 18.191 -8.769 1.00 41.20 C ATOM 1408 OE1 GLU A 85 5.994 18.042 -9.785 1.00 64.34 O ATOM 1409 OE2 GLU A 85 5.682 17.940 -7.612 1.00 52.24 O ATOM 0 H GLU A 85 0.188 18.237 -9.182 1.00 73.32 H new ATOM 0 HA GLU A 85 2.401 18.534 -11.127 1.00 63.21 H new ATOM 0 HB2 GLU A 85 2.323 17.350 -8.350 1.00 3.42 H new ATOM 0 HB3 GLU A 85 3.430 16.693 -9.539 1.00 3.42 H new ATOM 0 HG2 GLU A 85 3.850 19.433 -9.759 1.00 21.23 H new ATOM 0 HG3 GLU A 85 3.555 19.223 -8.045 1.00 21.23 H new