USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 698 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 75 THR OG1 : rot 37:sc= 0.0636 USER MOD Single : A 79 SER OG : rot 73:sc= 0.522 USER MOD Single : A 84 MET CE :methyl -133:sc= 0 (180deg=-1.39) USER MOD Single : A 86 LYS NZ :NH3+ 145:sc= -0.683 (180deg=-2.55!) USER MOD Single : A 91 THR OG1 : rot 101:sc= 0.746 USER MOD Single : A 92 TYR OH : rot -45:sc= 0.287 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -152:sc= -0.388 (180deg=-1.26!) USER MOD Single : A 103 LYS NZ :NH3+ 166:sc= -0.0563 (180deg=-0.278) USER MOD Single : A 108 HIS : no HD1:sc= -0.0398 X(o=-0.04,f=-0.38) USER MOD Single : B 75 THR OG1 : rot 29:sc= 0.126 USER MOD Single : B 79 SER OG : rot 74:sc= 0.902 USER MOD Single : B 84 MET CE :methyl -171:sc= -2.8! (180deg=-3.47!) USER MOD Single : B 86 LYS NZ :NH3+ -130:sc= 0.915 (180deg=0.271) USER MOD Single : B 91 THR OG1 : rot 85:sc= 0.91 USER MOD Single : B 92 TYR OH : rot 153:sc= -1.9! USER MOD Single : B 95 SER OG : rot 180:sc= 0.154 USER MOD Single : B 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 97 SER OG : rot 180:sc= 0 USER MOD Single : B 99 MET CE :methyl -143:sc= -0.212 (180deg=-1.51) USER MOD Single : B 103 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00782) USER MOD Single : B 108 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-3.2!) USER MOD Single : B 116 CYS SG : rot 92:sc= 0.851 USER MOD ----------------------------------------------------------------- ATOM 241 N THR A 75 -12.145 -4.361 2.418 1.00 61.03 N ATOM 242 CA THR A 75 -12.130 -3.222 3.351 1.00 21.11 C ATOM 243 C THR A 75 -10.867 -3.302 4.245 1.00 44.21 C ATOM 244 O THR A 75 -10.304 -2.267 4.634 1.00 73.03 O ATOM 245 CB THR A 75 -13.429 -3.199 4.230 1.00 70.11 C ATOM 246 OG1 THR A 75 -14.595 -3.143 3.386 1.00 70.12 O ATOM 247 CG2 THR A 75 -13.461 -2.000 5.203 1.00 4.11 C ATOM 0 HA THR A 75 -12.104 -2.296 2.776 1.00 21.11 H new ATOM 0 HB THR A 75 -13.427 -4.115 4.821 1.00 70.11 H new ATOM 0 HG1 THR A 75 -14.442 -3.680 2.580 1.00 70.12 H new ATOM 0 HG21 THR A 75 -14.380 -2.030 5.788 1.00 4.11 H new ATOM 0 HG22 THR A 75 -12.603 -2.052 5.873 1.00 4.11 H new ATOM 0 HG23 THR A 75 -13.423 -1.070 4.636 1.00 4.11 H new ATOM 255 N ASP A 76 -10.415 -4.551 4.528 1.00 71.51 N ATOM 256 CA ASP A 76 -9.148 -4.809 5.236 1.00 63.44 C ATOM 257 C ASP A 76 -7.990 -4.242 4.416 1.00 1.24 C ATOM 258 O ASP A 76 -7.179 -3.511 4.945 1.00 31.34 O ATOM 259 CB ASP A 76 -8.930 -6.329 5.476 1.00 63.54 C ATOM 260 CG ASP A 76 -7.608 -6.654 6.213 1.00 62.42 C ATOM 261 OD1 ASP A 76 -7.515 -6.395 7.431 1.00 15.43 O ATOM 262 OD2 ASP A 76 -6.661 -7.183 5.588 1.00 52.11 O ATOM 0 H ASP A 76 -10.920 -5.399 4.271 1.00 71.51 H new ATOM 0 HA ASP A 76 -9.192 -4.321 6.210 1.00 63.44 H new ATOM 0 HB2 ASP A 76 -9.766 -6.721 6.056 1.00 63.54 H new ATOM 0 HB3 ASP A 76 -8.938 -6.845 4.516 1.00 63.54 H new ATOM 267 N LEU A 77 -7.998 -4.550 3.098 1.00 15.30 N ATOM 268 CA LEU A 77 -6.998 -4.065 2.122 1.00 54.44 C ATOM 269 C LEU A 77 -6.872 -2.528 2.152 1.00 43.35 C ATOM 270 O LEU A 77 -5.756 -1.998 2.193 1.00 23.51 O ATOM 271 CB LEU A 77 -7.374 -4.567 0.699 1.00 34.31 C ATOM 272 CG LEU A 77 -6.464 -4.092 -0.487 1.00 43.54 C ATOM 273 CD1 LEU A 77 -4.969 -4.364 -0.228 1.00 44.42 C ATOM 274 CD2 LEU A 77 -6.917 -4.737 -1.810 1.00 22.42 C ATOM 0 H LEU A 77 -8.709 -5.150 2.679 1.00 15.30 H new ATOM 0 HA LEU A 77 -6.023 -4.468 2.397 1.00 54.44 H new ATOM 0 HB2 LEU A 77 -7.371 -5.657 0.713 1.00 34.31 H new ATOM 0 HB3 LEU A 77 -8.396 -4.253 0.488 1.00 34.31 H new ATOM 0 HG LEU A 77 -6.579 -3.011 -0.565 1.00 43.54 H new ATOM 0 HD11 LEU A 77 -4.383 -4.017 -1.079 1.00 44.42 H new ATOM 0 HD12 LEU A 77 -4.653 -3.834 0.671 1.00 44.42 H new ATOM 0 HD13 LEU A 77 -4.812 -5.434 -0.092 1.00 44.42 H new ATOM 0 HD21 LEU A 77 -6.273 -4.395 -2.621 1.00 22.42 H new ATOM 0 HD22 LEU A 77 -6.851 -5.822 -1.727 1.00 22.42 H new ATOM 0 HD23 LEU A 77 -7.948 -4.451 -2.020 1.00 22.42 H new ATOM 286 N LEU A 78 -8.035 -1.841 2.180 1.00 43.10 N ATOM 287 CA LEU A 78 -8.115 -0.371 2.315 1.00 14.32 C ATOM 288 C LEU A 78 -7.434 0.105 3.622 1.00 23.03 C ATOM 289 O LEU A 78 -6.746 1.132 3.647 1.00 20.02 O ATOM 290 CB LEU A 78 -9.602 0.075 2.310 1.00 10.40 C ATOM 291 CG LEU A 78 -9.857 1.613 2.254 1.00 65.43 C ATOM 292 CD1 LEU A 78 -9.293 2.231 0.963 1.00 64.15 C ATOM 293 CD2 LEU A 78 -11.352 1.934 2.417 1.00 55.43 C ATOM 0 H LEU A 78 -8.947 -2.292 2.109 1.00 43.10 H new ATOM 0 HA LEU A 78 -7.592 0.079 1.471 1.00 14.32 H new ATOM 0 HB2 LEU A 78 -10.096 -0.386 1.454 1.00 10.40 H new ATOM 0 HB3 LEU A 78 -10.082 -0.320 3.206 1.00 10.40 H new ATOM 0 HG LEU A 78 -9.326 2.064 3.092 1.00 65.43 H new ATOM 0 HD11 LEU A 78 -9.488 3.303 0.957 1.00 64.15 H new ATOM 0 HD12 LEU A 78 -8.218 2.058 0.916 1.00 64.15 H new ATOM 0 HD13 LEU A 78 -9.773 1.770 0.099 1.00 64.15 H new ATOM 0 HD21 LEU A 78 -11.499 3.013 2.374 1.00 55.43 H new ATOM 0 HD22 LEU A 78 -11.916 1.458 1.614 1.00 55.43 H new ATOM 0 HD23 LEU A 78 -11.702 1.558 3.378 1.00 55.43 H new ATOM 305 N SER A 79 -7.636 -0.678 4.697 1.00 34.13 N ATOM 306 CA SER A 79 -7.069 -0.394 6.022 1.00 30.23 C ATOM 307 C SER A 79 -5.558 -0.716 6.080 1.00 14.41 C ATOM 308 O SER A 79 -4.846 -0.135 6.892 1.00 45.32 O ATOM 309 CB SER A 79 -7.833 -1.192 7.095 1.00 10.13 C ATOM 310 OG SER A 79 -9.220 -0.904 7.050 1.00 5.31 O ATOM 0 H SER A 79 -8.199 -1.528 4.668 1.00 34.13 H new ATOM 0 HA SER A 79 -7.180 0.673 6.217 1.00 30.23 H new ATOM 0 HB2 SER A 79 -7.674 -2.259 6.941 1.00 10.13 H new ATOM 0 HB3 SER A 79 -7.439 -0.950 8.082 1.00 10.13 H new ATOM 0 HG SER A 79 -9.615 -1.321 6.256 1.00 5.31 H new ATOM 316 N VAL A 80 -5.077 -1.637 5.211 1.00 54.15 N ATOM 317 CA VAL A 80 -3.640 -1.981 5.125 1.00 22.03 C ATOM 318 C VAL A 80 -2.862 -0.826 4.478 1.00 33.41 C ATOM 319 O VAL A 80 -1.705 -0.567 4.835 1.00 12.24 O ATOM 320 CB VAL A 80 -3.367 -3.313 4.326 1.00 14.45 C ATOM 321 CG1 VAL A 80 -1.868 -3.679 4.354 1.00 35.43 C ATOM 322 CG2 VAL A 80 -4.202 -4.485 4.869 1.00 14.41 C ATOM 0 H VAL A 80 -5.666 -2.155 4.559 1.00 54.15 H new ATOM 0 HA VAL A 80 -3.298 -2.145 6.147 1.00 22.03 H new ATOM 0 HB VAL A 80 -3.667 -3.131 3.294 1.00 14.45 H new ATOM 0 HG11 VAL A 80 -1.708 -4.601 3.796 1.00 35.43 H new ATOM 0 HG12 VAL A 80 -1.289 -2.875 3.900 1.00 35.43 H new ATOM 0 HG13 VAL A 80 -1.547 -3.819 5.386 1.00 35.43 H new ATOM 0 HG21 VAL A 80 -3.985 -5.384 4.292 1.00 14.41 H new ATOM 0 HG22 VAL A 80 -3.951 -4.656 5.916 1.00 14.41 H new ATOM 0 HG23 VAL A 80 -5.262 -4.246 4.784 1.00 14.41 H new ATOM 332 N ILE A 81 -3.518 -0.133 3.525 1.00 3.15 N ATOM 333 CA ILE A 81 -3.000 1.118 2.937 1.00 25.34 C ATOM 334 C ILE A 81 -2.762 2.169 4.054 1.00 11.52 C ATOM 335 O ILE A 81 -1.826 2.958 3.994 1.00 45.13 O ATOM 336 CB ILE A 81 -3.976 1.718 1.848 1.00 23.21 C ATOM 337 CG1 ILE A 81 -4.490 0.625 0.852 1.00 4.14 C ATOM 338 CG2 ILE A 81 -3.300 2.876 1.084 1.00 41.14 C ATOM 339 CD1 ILE A 81 -3.418 -0.211 0.169 1.00 32.50 C ATOM 0 H ILE A 81 -4.418 -0.424 3.143 1.00 3.15 H new ATOM 0 HA ILE A 81 -2.059 0.876 2.442 1.00 25.34 H new ATOM 0 HB ILE A 81 -4.845 2.109 2.377 1.00 23.21 H new ATOM 0 HG12 ILE A 81 -5.157 -0.047 1.393 1.00 4.14 H new ATOM 0 HG13 ILE A 81 -5.086 1.115 0.082 1.00 4.14 H new ATOM 0 HG21 ILE A 81 -3.991 3.273 0.340 1.00 41.14 H new ATOM 0 HG22 ILE A 81 -3.029 3.665 1.785 1.00 41.14 H new ATOM 0 HG23 ILE A 81 -2.402 2.509 0.586 1.00 41.14 H new ATOM 0 HD11 ILE A 81 -3.890 -0.934 -0.497 1.00 32.50 H new ATOM 0 HD12 ILE A 81 -2.762 0.440 -0.409 1.00 32.50 H new ATOM 0 HD13 ILE A 81 -2.833 -0.739 0.922 1.00 32.50 H new ATOM 351 N GLU A 82 -3.625 2.137 5.083 1.00 33.22 N ATOM 352 CA GLU A 82 -3.486 2.990 6.275 1.00 73.11 C ATOM 353 C GLU A 82 -2.404 2.455 7.242 1.00 11.13 C ATOM 354 O GLU A 82 -1.693 3.253 7.853 1.00 22.24 O ATOM 355 CB GLU A 82 -4.845 3.118 7.000 1.00 44.30 C ATOM 356 CG GLU A 82 -4.816 4.014 8.257 1.00 44.44 C ATOM 357 CD GLU A 82 -6.190 4.189 8.905 1.00 24.02 C ATOM 358 OE1 GLU A 82 -6.669 3.237 9.556 1.00 41.43 O ATOM 359 OE2 GLU A 82 -6.806 5.269 8.751 1.00 13.33 O ATOM 0 H GLU A 82 -4.437 1.520 5.112 1.00 33.22 H new ATOM 0 HA GLU A 82 -3.165 3.977 5.941 1.00 73.11 H new ATOM 0 HB2 GLU A 82 -5.580 3.518 6.301 1.00 44.30 H new ATOM 0 HB3 GLU A 82 -5.185 2.123 7.286 1.00 44.30 H new ATOM 0 HG2 GLU A 82 -4.130 3.583 8.986 1.00 44.44 H new ATOM 0 HG3 GLU A 82 -4.421 4.994 7.988 1.00 44.44 H new ATOM 366 N GLU A 83 -2.277 1.105 7.363 1.00 43.33 N ATOM 367 CA GLU A 83 -1.275 0.465 8.258 1.00 35.15 C ATOM 368 C GLU A 83 0.151 0.844 7.829 1.00 12.22 C ATOM 369 O GLU A 83 0.998 1.162 8.660 1.00 33.24 O ATOM 370 CB GLU A 83 -1.411 -1.085 8.287 1.00 63.11 C ATOM 371 CG GLU A 83 -2.726 -1.626 8.886 1.00 32.01 C ATOM 372 CD GLU A 83 -2.699 -3.152 9.065 1.00 64.33 C ATOM 373 OE1 GLU A 83 -2.969 -3.894 8.091 1.00 11.54 O ATOM 374 OE2 GLU A 83 -2.378 -3.626 10.178 1.00 52.13 O ATOM 0 H GLU A 83 -2.857 0.440 6.851 1.00 43.33 H new ATOM 0 HA GLU A 83 -1.470 0.837 9.264 1.00 35.15 H new ATOM 0 HB2 GLU A 83 -1.315 -1.460 7.268 1.00 63.11 H new ATOM 0 HB3 GLU A 83 -0.577 -1.495 8.857 1.00 63.11 H new ATOM 0 HG2 GLU A 83 -2.905 -1.152 9.851 1.00 32.01 H new ATOM 0 HG3 GLU A 83 -3.558 -1.353 8.237 1.00 32.01 H new ATOM 381 N MET A 84 0.396 0.806 6.513 1.00 14.34 N ATOM 382 CA MET A 84 1.657 1.272 5.937 1.00 21.40 C ATOM 383 C MET A 84 1.708 2.821 5.961 1.00 53.13 C ATOM 384 O MET A 84 2.749 3.402 6.262 1.00 50.43 O ATOM 385 CB MET A 84 1.835 0.712 4.487 1.00 63.22 C ATOM 386 CG MET A 84 0.871 1.280 3.447 1.00 2.33 C ATOM 387 SD MET A 84 1.154 0.661 1.780 1.00 13.31 S ATOM 388 CE MET A 84 0.393 -0.952 1.835 1.00 74.04 C ATOM 0 H MET A 84 -0.270 0.454 5.825 1.00 14.34 H new ATOM 0 HA MET A 84 2.487 0.898 6.537 1.00 21.40 H new ATOM 0 HB2 MET A 84 2.856 0.912 4.160 1.00 63.22 H new ATOM 0 HB3 MET A 84 1.716 -0.371 4.516 1.00 63.22 H new ATOM 0 HG2 MET A 84 -0.151 1.043 3.744 1.00 2.33 H new ATOM 0 HG3 MET A 84 0.957 2.367 3.441 1.00 2.33 H new ATOM 0 HE1 MET A 84 1.069 -1.688 1.399 1.00 74.04 H new ATOM 0 HE2 MET A 84 0.183 -1.220 2.870 1.00 74.04 H new ATOM 0 HE3 MET A 84 -0.538 -0.934 1.269 1.00 74.04 H new ATOM 398 N GLY A 85 0.535 3.456 5.722 1.00 60.55 N ATOM 399 CA GLY A 85 0.418 4.911 5.574 1.00 71.21 C ATOM 400 C GLY A 85 0.823 5.704 6.793 1.00 62.33 C ATOM 401 O GLY A 85 1.327 6.823 6.683 1.00 5.15 O ATOM 0 H GLY A 85 -0.354 2.964 5.628 1.00 60.55 H new ATOM 0 HA2 GLY A 85 1.032 5.227 4.731 1.00 71.21 H new ATOM 0 HA3 GLY A 85 -0.615 5.155 5.325 1.00 71.21 H new ATOM 405 N LYS A 86 0.593 5.118 7.963 1.00 23.41 N ATOM 406 CA LYS A 86 0.963 5.725 9.244 1.00 41.11 C ATOM 407 C LYS A 86 2.448 5.478 9.543 1.00 63.50 C ATOM 408 O LYS A 86 3.135 6.364 10.058 1.00 11.32 O ATOM 409 CB LYS A 86 0.053 5.160 10.368 1.00 15.13 C ATOM 410 CG LYS A 86 0.116 3.622 10.541 1.00 42.11 C ATOM 411 CD LYS A 86 -0.884 3.037 11.567 1.00 13.51 C ATOM 412 CE LYS A 86 -0.501 3.290 13.036 1.00 3.14 C ATOM 413 NZ LYS A 86 -0.549 4.727 13.423 1.00 13.12 N ATOM 0 H LYS A 86 0.144 4.207 8.054 1.00 23.41 H new ATOM 0 HA LYS A 86 0.815 6.804 9.193 1.00 41.11 H new ATOM 0 HB2 LYS A 86 0.330 5.630 11.312 1.00 15.13 H new ATOM 0 HB3 LYS A 86 -0.978 5.447 10.160 1.00 15.13 H new ATOM 0 HG2 LYS A 86 -0.065 3.155 9.573 1.00 42.11 H new ATOM 0 HG3 LYS A 86 1.126 3.347 10.844 1.00 42.11 H new ATOM 0 HD2 LYS A 86 -1.869 3.464 11.381 1.00 13.51 H new ATOM 0 HD3 LYS A 86 -0.967 1.962 11.405 1.00 13.51 H new ATOM 0 HE2 LYS A 86 -1.174 2.725 13.681 1.00 3.14 H new ATOM 0 HE3 LYS A 86 0.504 2.908 13.212 1.00 3.14 H new ATOM 0 HZ1 LYS A 86 -0.870 4.811 14.409 1.00 13.12 H new ATOM 0 HZ2 LYS A 86 0.400 5.143 13.331 1.00 13.12 H new ATOM 0 HZ3 LYS A 86 -1.211 5.232 12.800 1.00 13.12 H new ATOM 427 N GLU A 87 2.949 4.284 9.165 1.00 60.44 N ATOM 428 CA GLU A 87 4.326 3.866 9.468 1.00 1.23 C ATOM 429 C GLU A 87 5.364 4.516 8.544 1.00 1.23 C ATOM 430 O GLU A 87 6.552 4.324 8.764 1.00 55.40 O ATOM 431 CB GLU A 87 4.452 2.323 9.438 1.00 4.51 C ATOM 432 CG GLU A 87 3.599 1.603 10.505 1.00 1.40 C ATOM 433 CD GLU A 87 3.795 2.162 11.926 1.00 20.01 C ATOM 434 OE1 GLU A 87 4.915 2.038 12.474 1.00 71.14 O ATOM 435 OE2 GLU A 87 2.839 2.726 12.507 1.00 32.55 O ATOM 0 H GLU A 87 2.412 3.590 8.645 1.00 60.44 H new ATOM 0 HA GLU A 87 4.543 4.218 10.477 1.00 1.23 H new ATOM 0 HB2 GLU A 87 4.160 1.964 8.451 1.00 4.51 H new ATOM 0 HB3 GLU A 87 5.498 2.051 9.580 1.00 4.51 H new ATOM 0 HG2 GLU A 87 2.547 1.684 10.233 1.00 1.40 H new ATOM 0 HG3 GLU A 87 3.848 0.542 10.503 1.00 1.40 H new ATOM 442 N ILE A 88 4.918 5.315 7.557 1.00 51.41 N ATOM 443 CA ILE A 88 5.821 6.067 6.667 1.00 12.44 C ATOM 444 C ILE A 88 6.672 7.076 7.470 1.00 43.41 C ATOM 445 O ILE A 88 7.888 7.144 7.284 1.00 43.23 O ATOM 446 CB ILE A 88 5.014 6.826 5.544 1.00 23.14 C ATOM 447 CG1 ILE A 88 4.219 5.807 4.668 1.00 51.02 C ATOM 448 CG2 ILE A 88 5.942 7.723 4.682 1.00 2.10 C ATOM 449 CD1 ILE A 88 3.366 6.430 3.581 1.00 5.10 C ATOM 0 H ILE A 88 3.928 5.457 7.355 1.00 51.41 H new ATOM 0 HA ILE A 88 6.484 5.345 6.191 1.00 12.44 H new ATOM 0 HB ILE A 88 4.297 7.490 6.027 1.00 23.14 H new ATOM 0 HG12 ILE A 88 4.926 5.119 4.205 1.00 51.02 H new ATOM 0 HG13 ILE A 88 3.576 5.214 5.319 1.00 51.02 H new ATOM 0 HG21 ILE A 88 5.352 8.230 3.919 1.00 2.10 H new ATOM 0 HG22 ILE A 88 6.426 8.464 5.319 1.00 2.10 H new ATOM 0 HG23 ILE A 88 6.702 7.106 4.202 1.00 2.10 H new ATOM 0 HD11 ILE A 88 2.853 5.645 3.026 1.00 5.10 H new ATOM 0 HD12 ILE A 88 2.630 7.096 4.032 1.00 5.10 H new ATOM 0 HD13 ILE A 88 4.001 6.999 2.901 1.00 5.10 H new ATOM 461 N ARG A 89 6.010 7.844 8.367 1.00 73.13 N ATOM 462 CA ARG A 89 6.669 8.913 9.149 1.00 51.45 C ATOM 463 C ARG A 89 7.764 8.354 10.116 1.00 33.42 C ATOM 464 O ARG A 89 8.909 8.822 10.044 1.00 53.13 O ATOM 465 CB ARG A 89 5.612 9.776 9.900 1.00 43.12 C ATOM 466 CG ARG A 89 6.200 10.920 10.752 1.00 54.00 C ATOM 467 CD ARG A 89 5.128 11.762 11.465 1.00 25.34 C ATOM 468 NE ARG A 89 5.726 12.877 12.227 1.00 14.34 N ATOM 469 CZ ARG A 89 5.055 13.708 13.048 1.00 4.22 C ATOM 470 NH1 ARG A 89 3.742 13.571 13.242 1.00 22.32 N ATOM 471 NH2 ARG A 89 5.713 14.664 13.696 1.00 71.14 N ATOM 0 H ARG A 89 5.015 7.741 8.567 1.00 73.13 H new ATOM 0 HA ARG A 89 7.191 9.561 8.445 1.00 51.45 H new ATOM 0 HB2 ARG A 89 4.925 10.202 9.169 1.00 43.12 H new ATOM 0 HB3 ARG A 89 5.025 9.125 10.547 1.00 43.12 H new ATOM 0 HG2 ARG A 89 6.875 10.499 11.497 1.00 54.00 H new ATOM 0 HG3 ARG A 89 6.796 11.570 10.112 1.00 54.00 H new ATOM 0 HD2 ARG A 89 4.428 12.158 10.729 1.00 25.34 H new ATOM 0 HD3 ARG A 89 4.555 11.126 12.140 1.00 25.34 H new ATOM 0 HE ARG A 89 6.729 13.030 12.123 1.00 14.34 H new ATOM 0 HH11 ARG A 89 3.231 12.828 12.765 1.00 22.32 H new ATOM 0 HH12 ARG A 89 3.250 14.209 13.867 1.00 22.32 H new ATOM 0 HH21 ARG A 89 6.720 14.765 13.570 1.00 71.14 H new ATOM 0 HH22 ARG A 89 5.211 15.296 14.319 1.00 71.14 H new ATOM 485 N PRO A 90 7.469 7.355 11.030 1.00 34.31 N ATOM 486 CA PRO A 90 8.509 6.798 11.934 1.00 52.12 C ATOM 487 C PRO A 90 9.634 6.052 11.166 1.00 50.41 C ATOM 488 O PRO A 90 10.798 6.138 11.561 1.00 14.35 O ATOM 489 CB PRO A 90 7.715 5.881 12.897 1.00 65.23 C ATOM 490 CG PRO A 90 6.444 5.545 12.174 1.00 13.53 C ATOM 491 CD PRO A 90 6.142 6.729 11.287 1.00 24.43 C ATOM 0 HA PRO A 90 9.053 7.576 12.470 1.00 52.12 H new ATOM 0 HB2 PRO A 90 8.280 4.980 13.136 1.00 65.23 H new ATOM 0 HB3 PRO A 90 7.508 6.387 13.840 1.00 65.23 H new ATOM 0 HG2 PRO A 90 6.560 4.636 11.584 1.00 13.53 H new ATOM 0 HG3 PRO A 90 5.631 5.367 12.877 1.00 13.53 H new ATOM 0 HD2 PRO A 90 5.665 6.417 10.358 1.00 24.43 H new ATOM 0 HD3 PRO A 90 5.462 7.427 11.776 1.00 24.43 H new ATOM 499 N THR A 91 9.276 5.360 10.053 1.00 3.04 N ATOM 500 CA THR A 91 10.271 4.746 9.130 1.00 63.35 C ATOM 501 C THR A 91 11.251 5.814 8.613 1.00 62.34 C ATOM 502 O THR A 91 12.476 5.635 8.652 1.00 72.15 O ATOM 503 CB THR A 91 9.581 4.058 7.908 1.00 62.21 C ATOM 504 OG1 THR A 91 8.810 2.950 8.366 1.00 12.24 O ATOM 505 CG2 THR A 91 10.589 3.578 6.838 1.00 71.14 C ATOM 0 H THR A 91 8.307 5.213 9.772 1.00 3.04 H new ATOM 0 HA THR A 91 10.810 3.987 9.698 1.00 63.35 H new ATOM 0 HB THR A 91 8.944 4.805 7.434 1.00 62.21 H new ATOM 0 HG1 THR A 91 7.865 3.206 8.412 1.00 12.24 H new ATOM 0 HG21 THR A 91 10.050 3.109 6.015 1.00 71.14 H new ATOM 0 HG22 THR A 91 11.154 4.431 6.462 1.00 71.14 H new ATOM 0 HG23 THR A 91 11.274 2.855 7.282 1.00 71.14 H new ATOM 513 N TYR A 92 10.662 6.938 8.168 1.00 71.20 N ATOM 514 CA TYR A 92 11.397 8.090 7.648 1.00 22.11 C ATOM 515 C TYR A 92 12.303 8.707 8.734 1.00 72.43 C ATOM 516 O TYR A 92 13.327 9.302 8.418 1.00 1.44 O ATOM 517 CB TYR A 92 10.404 9.153 7.091 1.00 71.15 C ATOM 518 CG TYR A 92 11.100 10.315 6.382 1.00 41.14 C ATOM 519 CD1 TYR A 92 11.717 10.117 5.156 1.00 5.51 C ATOM 520 CD2 TYR A 92 11.197 11.586 6.957 1.00 70.25 C ATOM 521 CE1 TYR A 92 12.373 11.132 4.517 1.00 54.13 C ATOM 522 CE2 TYR A 92 11.870 12.608 6.319 1.00 41.42 C ATOM 523 CZ TYR A 92 12.464 12.368 5.102 1.00 73.12 C ATOM 524 OH TYR A 92 13.157 13.368 4.465 1.00 74.30 O ATOM 0 H TYR A 92 9.650 7.067 8.162 1.00 71.20 H new ATOM 0 HA TYR A 92 12.038 7.749 6.835 1.00 22.11 H new ATOM 0 HB2 TYR A 92 9.718 8.670 6.395 1.00 71.15 H new ATOM 0 HB3 TYR A 92 9.803 9.544 7.912 1.00 71.15 H new ATOM 0 HD1 TYR A 92 11.678 9.140 4.696 1.00 5.51 H new ATOM 0 HD2 TYR A 92 10.737 11.771 7.917 1.00 70.25 H new ATOM 0 HE1 TYR A 92 12.820 10.959 3.549 1.00 54.13 H new ATOM 0 HE2 TYR A 92 11.930 13.587 6.771 1.00 41.42 H new ATOM 0 HH TYR A 92 14.003 13.012 4.121 1.00 74.30 H new ATOM 534 N ALA A 93 11.919 8.528 10.009 1.00 62.24 N ATOM 535 CA ALA A 93 12.646 9.077 11.169 1.00 33.00 C ATOM 536 C ALA A 93 13.752 8.123 11.666 1.00 35.31 C ATOM 537 O ALA A 93 14.345 8.355 12.726 1.00 45.25 O ATOM 538 CB ALA A 93 11.636 9.383 12.285 1.00 72.44 C ATOM 0 H ALA A 93 11.089 7.994 10.267 1.00 62.24 H new ATOM 0 HA ALA A 93 13.149 9.995 10.865 1.00 33.00 H new ATOM 0 HB1 ALA A 93 12.161 9.790 13.149 1.00 72.44 H new ATOM 0 HB2 ALA A 93 10.908 10.111 11.927 1.00 72.44 H new ATOM 0 HB3 ALA A 93 11.122 8.466 12.572 1.00 72.44 H new ATOM 544 N GLY A 94 14.032 7.054 10.884 1.00 12.23 N ATOM 545 CA GLY A 94 15.118 6.111 11.185 1.00 14.02 C ATOM 546 C GLY A 94 14.704 4.926 12.054 1.00 52.32 C ATOM 547 O GLY A 94 15.560 4.109 12.414 1.00 3.33 O ATOM 0 H GLY A 94 13.513 6.828 10.036 1.00 12.23 H new ATOM 0 HA2 GLY A 94 15.525 5.733 10.247 1.00 14.02 H new ATOM 0 HA3 GLY A 94 15.922 6.650 11.687 1.00 14.02 H new ATOM 551 N SER A 95 13.407 4.823 12.386 1.00 2.11 N ATOM 552 CA SER A 95 12.868 3.698 13.179 1.00 72.24 C ATOM 553 C SER A 95 12.723 2.410 12.334 1.00 53.23 C ATOM 554 O SER A 95 11.787 2.288 11.531 1.00 32.15 O ATOM 555 CB SER A 95 11.513 4.097 13.788 1.00 73.52 C ATOM 556 OG SER A 95 11.630 5.296 14.532 1.00 44.32 O ATOM 0 H SER A 95 12.704 5.511 12.116 1.00 2.11 H new ATOM 0 HA SER A 95 13.577 3.479 13.977 1.00 72.24 H new ATOM 0 HB2 SER A 95 10.777 4.226 12.995 1.00 73.52 H new ATOM 0 HB3 SER A 95 11.149 3.297 14.433 1.00 73.52 H new ATOM 0 HG SER A 95 10.757 5.533 14.909 1.00 44.32 H new ATOM 562 N LYS A 96 13.686 1.476 12.517 1.00 1.30 N ATOM 563 CA LYS A 96 13.692 0.150 11.850 1.00 41.23 C ATOM 564 C LYS A 96 12.484 -0.730 12.236 1.00 70.12 C ATOM 565 O LYS A 96 12.061 -1.571 11.437 1.00 64.20 O ATOM 566 CB LYS A 96 15.020 -0.639 12.100 1.00 2.52 C ATOM 567 CG LYS A 96 15.409 -0.913 13.579 1.00 31.30 C ATOM 568 CD LYS A 96 16.157 0.264 14.258 1.00 0.22 C ATOM 569 CE LYS A 96 16.645 -0.080 15.675 1.00 31.10 C ATOM 570 NZ LYS A 96 17.242 1.095 16.365 1.00 3.54 N ATOM 0 H LYS A 96 14.485 1.621 13.134 1.00 1.30 H new ATOM 0 HA LYS A 96 13.615 0.374 10.786 1.00 41.23 H new ATOM 0 HB2 LYS A 96 14.947 -1.597 11.586 1.00 2.52 H new ATOM 0 HB3 LYS A 96 15.835 -0.087 11.632 1.00 2.52 H new ATOM 0 HG2 LYS A 96 14.506 -1.133 14.148 1.00 31.30 H new ATOM 0 HG3 LYS A 96 16.037 -1.803 13.621 1.00 31.30 H new ATOM 0 HD2 LYS A 96 17.011 0.549 13.643 1.00 0.22 H new ATOM 0 HD3 LYS A 96 15.496 1.129 14.306 1.00 0.22 H new ATOM 0 HE2 LYS A 96 15.809 -0.458 16.263 1.00 31.10 H new ATOM 0 HE3 LYS A 96 17.383 -0.880 15.619 1.00 31.10 H new ATOM 0 HZ1 LYS A 96 17.557 0.816 17.316 1.00 3.54 H new ATOM 0 HZ2 LYS A 96 18.056 1.442 15.819 1.00 3.54 H new ATOM 0 HZ3 LYS A 96 16.531 1.850 16.443 1.00 3.54 H new ATOM 584 N SER A 97 11.952 -0.532 13.457 1.00 43.24 N ATOM 585 CA SER A 97 10.755 -1.246 13.944 1.00 24.52 C ATOM 586 C SER A 97 9.536 -0.911 13.055 1.00 33.51 C ATOM 587 O SER A 97 8.824 -1.808 12.586 1.00 2.32 O ATOM 588 CB SER A 97 10.480 -0.874 15.427 1.00 44.53 C ATOM 589 OG SER A 97 9.332 -1.529 15.936 1.00 73.02 O ATOM 0 H SER A 97 12.339 0.126 14.133 1.00 43.24 H new ATOM 0 HA SER A 97 10.932 -2.320 13.887 1.00 24.52 H new ATOM 0 HB2 SER A 97 11.346 -1.138 16.033 1.00 44.53 H new ATOM 0 HB3 SER A 97 10.349 0.205 15.511 1.00 44.53 H new ATOM 0 HG SER A 97 9.195 -1.270 16.871 1.00 73.02 H new ATOM 595 N ALA A 98 9.346 0.397 12.812 1.00 11.00 N ATOM 596 CA ALA A 98 8.278 0.916 11.948 1.00 10.55 C ATOM 597 C ALA A 98 8.510 0.536 10.485 1.00 21.24 C ATOM 598 O ALA A 98 7.559 0.282 9.759 1.00 73.12 O ATOM 599 CB ALA A 98 8.201 2.431 12.079 1.00 64.54 C ATOM 0 H ALA A 98 9.935 1.127 13.214 1.00 11.00 H new ATOM 0 HA ALA A 98 7.337 0.469 12.269 1.00 10.55 H new ATOM 0 HB1 ALA A 98 7.407 2.812 11.436 1.00 64.54 H new ATOM 0 HB2 ALA A 98 7.988 2.696 13.115 1.00 64.54 H new ATOM 0 HB3 ALA A 98 9.152 2.871 11.780 1.00 64.54 H new ATOM 605 N MET A 99 9.795 0.521 10.079 1.00 53.21 N ATOM 606 CA MET A 99 10.221 0.186 8.709 1.00 73.25 C ATOM 607 C MET A 99 9.874 -1.262 8.347 1.00 54.32 C ATOM 608 O MET A 99 9.387 -1.524 7.252 1.00 63.51 O ATOM 609 CB MET A 99 11.739 0.479 8.558 1.00 42.14 C ATOM 610 CG MET A 99 12.367 0.100 7.197 1.00 40.13 C ATOM 611 SD MET A 99 12.857 -1.635 7.097 1.00 51.33 S ATOM 612 CE MET A 99 14.065 -1.718 8.420 1.00 0.32 C ATOM 0 H MET A 99 10.573 0.744 10.700 1.00 53.21 H new ATOM 0 HA MET A 99 9.675 0.812 8.003 1.00 73.25 H new ATOM 0 HB2 MET A 99 11.903 1.543 8.728 1.00 42.14 H new ATOM 0 HB3 MET A 99 12.273 -0.055 9.344 1.00 42.14 H new ATOM 0 HG2 MET A 99 11.653 0.315 6.402 1.00 40.13 H new ATOM 0 HG3 MET A 99 13.240 0.728 7.020 1.00 40.13 H new ATOM 0 HE1 MET A 99 14.794 -2.497 8.199 1.00 0.32 H new ATOM 0 HE2 MET A 99 14.575 -0.759 8.508 1.00 0.32 H new ATOM 0 HE3 MET A 99 13.561 -1.948 9.359 1.00 0.32 H new ATOM 622 N GLU A 100 10.088 -2.177 9.304 1.00 54.15 N ATOM 623 CA GLU A 100 9.756 -3.607 9.154 1.00 13.41 C ATOM 624 C GLU A 100 8.222 -3.797 9.055 1.00 4.40 C ATOM 625 O GLU A 100 7.735 -4.678 8.348 1.00 74.21 O ATOM 626 CB GLU A 100 10.309 -4.406 10.360 1.00 11.22 C ATOM 627 CG GLU A 100 10.168 -5.935 10.226 1.00 71.21 C ATOM 628 CD GLU A 100 10.518 -6.675 11.521 1.00 42.42 C ATOM 629 OE1 GLU A 100 11.718 -6.800 11.844 1.00 63.34 O ATOM 630 OE2 GLU A 100 9.595 -7.132 12.226 1.00 51.24 O ATOM 0 H GLU A 100 10.498 -1.948 10.209 1.00 54.15 H new ATOM 0 HA GLU A 100 10.214 -3.978 8.237 1.00 13.41 H new ATOM 0 HB2 GLU A 100 11.363 -4.160 10.491 1.00 11.22 H new ATOM 0 HB3 GLU A 100 9.791 -4.083 11.263 1.00 11.22 H new ATOM 0 HG2 GLU A 100 9.145 -6.178 9.938 1.00 71.21 H new ATOM 0 HG3 GLU A 100 10.817 -6.287 9.424 1.00 71.21 H new ATOM 637 N ARG A 101 7.490 -2.932 9.769 1.00 72.12 N ATOM 638 CA ARG A 101 6.018 -2.956 9.843 1.00 31.10 C ATOM 639 C ARG A 101 5.392 -2.278 8.605 1.00 32.11 C ATOM 640 O ARG A 101 4.264 -2.588 8.205 1.00 3.45 O ATOM 641 CB ARG A 101 5.599 -2.272 11.162 1.00 21.10 C ATOM 642 CG ARG A 101 4.084 -2.251 11.448 1.00 72.43 C ATOM 643 CD ARG A 101 3.779 -1.964 12.926 1.00 22.11 C ATOM 644 NE ARG A 101 4.432 -0.737 13.417 1.00 23.13 N ATOM 645 CZ ARG A 101 4.649 -0.433 14.708 1.00 5.30 C ATOM 646 NH1 ARG A 101 4.274 -1.261 15.684 1.00 21.22 N ATOM 647 NH2 ARG A 101 5.234 0.714 15.019 1.00 24.11 N ATOM 0 H ARG A 101 7.908 -2.183 10.321 1.00 72.12 H new ATOM 0 HA ARG A 101 5.650 -3.982 9.840 1.00 31.10 H new ATOM 0 HB2 ARG A 101 6.100 -2.777 11.988 1.00 21.10 H new ATOM 0 HB3 ARG A 101 5.963 -1.245 11.149 1.00 21.10 H new ATOM 0 HG2 ARG A 101 3.609 -1.492 10.826 1.00 72.43 H new ATOM 0 HG3 ARG A 101 3.649 -3.211 11.168 1.00 72.43 H new ATOM 0 HD2 ARG A 101 2.701 -1.874 13.059 1.00 22.11 H new ATOM 0 HD3 ARG A 101 4.105 -2.810 13.530 1.00 22.11 H new ATOM 0 HE ARG A 101 4.745 -0.063 12.719 1.00 23.13 H new ATOM 0 HH11 ARG A 101 3.814 -2.142 15.456 1.00 21.22 H new ATOM 0 HH12 ARG A 101 4.447 -1.013 16.658 1.00 21.22 H new ATOM 0 HH21 ARG A 101 5.516 1.359 14.281 1.00 24.11 H new ATOM 0 HH22 ARG A 101 5.402 0.952 15.996 1.00 24.11 H new ATOM 661 N LEU A 102 6.169 -1.373 7.998 1.00 21.32 N ATOM 662 CA LEU A 102 5.849 -0.733 6.718 1.00 51.31 C ATOM 663 C LEU A 102 6.022 -1.762 5.581 1.00 44.04 C ATOM 664 O LEU A 102 5.219 -1.808 4.642 1.00 50.11 O ATOM 665 CB LEU A 102 6.776 0.497 6.526 1.00 65.12 C ATOM 666 CG LEU A 102 6.629 1.305 5.198 1.00 40.11 C ATOM 667 CD1 LEU A 102 5.220 1.868 5.012 1.00 31.24 C ATOM 668 CD2 LEU A 102 7.662 2.430 5.130 1.00 23.43 C ATOM 0 H LEU A 102 7.056 -1.059 8.392 1.00 21.32 H new ATOM 0 HA LEU A 102 4.816 -0.387 6.704 1.00 51.31 H new ATOM 0 HB2 LEU A 102 6.605 1.181 7.357 1.00 65.12 H new ATOM 0 HB3 LEU A 102 7.809 0.156 6.601 1.00 65.12 H new ATOM 0 HG LEU A 102 6.810 0.605 4.382 1.00 40.11 H new ATOM 0 HD11 LEU A 102 5.170 2.421 4.074 1.00 31.24 H new ATOM 0 HD12 LEU A 102 4.501 1.049 4.989 1.00 31.24 H new ATOM 0 HD13 LEU A 102 4.983 2.536 5.840 1.00 31.24 H new ATOM 0 HD21 LEU A 102 7.541 2.979 4.196 1.00 23.43 H new ATOM 0 HD22 LEU A 102 7.518 3.108 5.971 1.00 23.43 H new ATOM 0 HD23 LEU A 102 8.665 2.006 5.174 1.00 23.43 H new ATOM 680 N LYS A 103 7.082 -2.603 5.705 1.00 62.23 N ATOM 681 CA LYS A 103 7.305 -3.768 4.825 1.00 44.12 C ATOM 682 C LYS A 103 6.164 -4.780 4.974 1.00 70.00 C ATOM 683 O LYS A 103 5.699 -5.323 3.976 1.00 31.30 O ATOM 684 CB LYS A 103 8.678 -4.439 5.127 1.00 71.12 C ATOM 685 CG LYS A 103 9.898 -3.518 4.880 1.00 42.53 C ATOM 686 CD LYS A 103 11.251 -4.156 5.270 1.00 54.35 C ATOM 687 CE LYS A 103 11.648 -5.331 4.367 1.00 43.54 C ATOM 688 NZ LYS A 103 11.707 -4.932 2.932 1.00 71.11 N ATOM 0 H LYS A 103 7.802 -2.488 6.418 1.00 62.23 H new ATOM 0 HA LYS A 103 7.321 -3.416 3.793 1.00 44.12 H new ATOM 0 HB2 LYS A 103 8.689 -4.768 6.166 1.00 71.12 H new ATOM 0 HB3 LYS A 103 8.778 -5.331 4.509 1.00 71.12 H new ATOM 0 HG2 LYS A 103 9.927 -3.244 3.825 1.00 42.53 H new ATOM 0 HG3 LYS A 103 9.765 -2.596 5.446 1.00 42.53 H new ATOM 0 HD2 LYS A 103 12.030 -3.395 5.228 1.00 54.35 H new ATOM 0 HD3 LYS A 103 11.198 -4.501 6.302 1.00 54.35 H new ATOM 0 HE2 LYS A 103 12.619 -5.716 4.677 1.00 43.54 H new ATOM 0 HE3 LYS A 103 10.930 -6.142 4.489 1.00 43.54 H new ATOM 0 HZ1 LYS A 103 12.199 -5.668 2.387 1.00 71.11 H new ATOM 0 HZ2 LYS A 103 10.741 -4.816 2.564 1.00 71.11 H new ATOM 0 HZ3 LYS A 103 12.222 -4.033 2.843 1.00 71.11 H new ATOM 702 N ARG A 104 5.698 -4.996 6.229 1.00 5.42 N ATOM 703 CA ARG A 104 4.543 -5.867 6.508 1.00 61.42 C ATOM 704 C ARG A 104 3.288 -5.312 5.831 1.00 25.23 C ATOM 705 O ARG A 104 2.458 -6.079 5.360 1.00 33.43 O ATOM 706 CB ARG A 104 4.278 -6.017 8.031 1.00 42.40 C ATOM 707 CG ARG A 104 3.169 -7.049 8.362 1.00 74.43 C ATOM 708 CD ARG A 104 2.701 -7.029 9.824 1.00 52.54 C ATOM 709 NE ARG A 104 1.685 -8.076 10.064 1.00 72.05 N ATOM 710 CZ ARG A 104 0.382 -7.873 10.346 1.00 2.22 C ATOM 711 NH1 ARG A 104 -0.126 -6.642 10.445 1.00 10.33 N ATOM 712 NH2 ARG A 104 -0.412 -8.924 10.516 1.00 52.52 N ATOM 0 H ARG A 104 6.110 -4.575 7.062 1.00 5.42 H new ATOM 0 HA ARG A 104 4.781 -6.852 6.107 1.00 61.42 H new ATOM 0 HB2 ARG A 104 5.202 -6.316 8.526 1.00 42.40 H new ATOM 0 HB3 ARG A 104 3.996 -5.047 8.441 1.00 42.40 H new ATOM 0 HG2 ARG A 104 2.311 -6.862 7.716 1.00 74.43 H new ATOM 0 HG3 ARG A 104 3.536 -8.047 8.124 1.00 74.43 H new ATOM 0 HD2 ARG A 104 3.553 -7.184 10.486 1.00 52.54 H new ATOM 0 HD3 ARG A 104 2.285 -6.050 10.064 1.00 52.54 H new ATOM 0 HE ARG A 104 2.000 -9.045 10.011 1.00 72.05 H new ATOM 0 HH11 ARG A 104 0.475 -5.830 10.306 1.00 10.33 H new ATOM 0 HH12 ARG A 104 -1.115 -6.514 10.659 1.00 10.33 H new ATOM 0 HH21 ARG A 104 -0.034 -9.868 10.433 1.00 52.52 H new ATOM 0 HH22 ARG A 104 -1.400 -8.788 10.730 1.00 52.52 H new ATOM 726 N GLY A 105 3.174 -3.967 5.804 1.00 23.31 N ATOM 727 CA GLY A 105 2.100 -3.285 5.094 1.00 15.30 C ATOM 728 C GLY A 105 2.037 -3.689 3.627 1.00 22.33 C ATOM 729 O GLY A 105 0.972 -4.033 3.124 1.00 25.14 O ATOM 0 H GLY A 105 3.825 -3.338 6.274 1.00 23.31 H new ATOM 0 HA2 GLY A 105 1.148 -3.512 5.573 1.00 15.30 H new ATOM 0 HA3 GLY A 105 2.245 -2.207 5.167 1.00 15.30 H new ATOM 733 N ILE A 106 3.200 -3.704 2.961 1.00 43.11 N ATOM 734 CA ILE A 106 3.303 -4.102 1.549 1.00 32.33 C ATOM 735 C ILE A 106 3.064 -5.621 1.359 1.00 42.21 C ATOM 736 O ILE A 106 2.401 -6.008 0.413 1.00 4.30 O ATOM 737 CB ILE A 106 4.682 -3.623 0.921 1.00 15.30 C ATOM 738 CG1 ILE A 106 4.594 -2.125 0.465 1.00 3.52 C ATOM 739 CG2 ILE A 106 5.162 -4.517 -0.260 1.00 22.20 C ATOM 740 CD1 ILE A 106 4.392 -1.090 1.550 1.00 73.02 C ATOM 0 H ILE A 106 4.091 -3.442 3.382 1.00 43.11 H new ATOM 0 HA ILE A 106 2.507 -3.597 1.002 1.00 32.33 H new ATOM 0 HB ILE A 106 5.426 -3.719 1.712 1.00 15.30 H new ATOM 0 HG12 ILE A 106 5.510 -1.879 -0.072 1.00 3.52 H new ATOM 0 HG13 ILE A 106 3.774 -2.035 -0.247 1.00 3.52 H new ATOM 0 HG21 ILE A 106 6.108 -4.136 -0.644 1.00 22.20 H new ATOM 0 HG22 ILE A 106 5.298 -5.540 0.090 1.00 22.20 H new ATOM 0 HG23 ILE A 106 4.416 -4.502 -1.055 1.00 22.20 H new ATOM 0 HD11 ILE A 106 4.348 -0.097 1.102 1.00 73.02 H new ATOM 0 HD12 ILE A 106 3.459 -1.292 2.076 1.00 73.02 H new ATOM 0 HD13 ILE A 106 5.223 -1.134 2.254 1.00 73.02 H new ATOM 752 N ILE A 107 3.567 -6.457 2.285 1.00 33.33 N ATOM 753 CA ILE A 107 3.417 -7.933 2.207 1.00 42.44 C ATOM 754 C ILE A 107 1.925 -8.329 2.313 1.00 44.35 C ATOM 755 O ILE A 107 1.413 -9.125 1.513 1.00 15.21 O ATOM 756 CB ILE A 107 4.253 -8.634 3.345 1.00 33.01 C ATOM 757 CG1 ILE A 107 5.782 -8.361 3.149 1.00 54.23 C ATOM 758 CG2 ILE A 107 3.967 -10.156 3.409 1.00 71.22 C ATOM 759 CD1 ILE A 107 6.660 -8.813 4.305 1.00 24.21 C ATOM 0 H ILE A 107 4.085 -6.139 3.104 1.00 33.33 H new ATOM 0 HA ILE A 107 3.798 -8.268 1.242 1.00 42.44 H new ATOM 0 HB ILE A 107 3.943 -8.205 4.298 1.00 33.01 H new ATOM 0 HG12 ILE A 107 6.114 -8.863 2.240 1.00 54.23 H new ATOM 0 HG13 ILE A 107 5.930 -7.292 2.994 1.00 54.23 H new ATOM 0 HG21 ILE A 107 4.561 -10.605 4.205 1.00 71.22 H new ATOM 0 HG22 ILE A 107 2.908 -10.319 3.610 1.00 71.22 H new ATOM 0 HG23 ILE A 107 4.230 -10.616 2.457 1.00 71.22 H new ATOM 0 HD11 ILE A 107 7.702 -8.584 4.082 1.00 24.21 H new ATOM 0 HD12 ILE A 107 6.361 -8.292 5.214 1.00 24.21 H new ATOM 0 HD13 ILE A 107 6.548 -9.888 4.449 1.00 24.21 H new ATOM 771 N HIS A 108 1.259 -7.709 3.300 1.00 64.43 N ATOM 772 CA HIS A 108 -0.161 -7.921 3.610 1.00 55.42 C ATOM 773 C HIS A 108 -1.033 -7.460 2.429 1.00 0.00 C ATOM 774 O HIS A 108 -1.854 -8.231 1.927 1.00 34.21 O ATOM 775 CB HIS A 108 -0.529 -7.149 4.912 1.00 22.21 C ATOM 776 CG HIS A 108 -1.895 -7.419 5.496 1.00 1.02 C ATOM 777 ND1 HIS A 108 -2.339 -6.819 6.657 1.00 21.24 N ATOM 778 CD2 HIS A 108 -2.906 -8.236 5.107 1.00 4.13 C ATOM 779 CE1 HIS A 108 -3.544 -7.253 6.947 1.00 65.24 C ATOM 780 NE2 HIS A 108 -3.911 -8.113 6.024 1.00 75.32 N ATOM 0 H HIS A 108 1.705 -7.031 3.918 1.00 64.43 H new ATOM 0 HA HIS A 108 -0.346 -8.983 3.771 1.00 55.42 H new ATOM 0 HB2 HIS A 108 0.218 -7.384 5.670 1.00 22.21 H new ATOM 0 HB3 HIS A 108 -0.451 -6.081 4.708 1.00 22.21 H new ATOM 0 HD2 HIS A 108 -2.915 -8.868 4.232 1.00 4.13 H new ATOM 0 HE1 HIS A 108 -4.134 -6.953 7.801 1.00 65.24 H new ATOM 0 HE2 HIS A 108 -4.802 -8.609 5.997 1.00 75.32 H new ATOM 789 N ALA A 109 -0.807 -6.212 1.982 1.00 43.20 N ATOM 790 CA ALA A 109 -1.599 -5.592 0.907 1.00 45.40 C ATOM 791 C ALA A 109 -1.415 -6.321 -0.429 1.00 53.23 C ATOM 792 O ALA A 109 -2.389 -6.592 -1.118 1.00 34.35 O ATOM 793 CB ALA A 109 -1.242 -4.110 0.755 1.00 52.24 C ATOM 0 H ALA A 109 -0.074 -5.608 2.354 1.00 43.20 H new ATOM 0 HA ALA A 109 -2.648 -5.675 1.190 1.00 45.40 H new ATOM 0 HB1 ALA A 109 -1.839 -3.672 -0.045 1.00 52.24 H new ATOM 0 HB2 ALA A 109 -1.449 -3.588 1.689 1.00 52.24 H new ATOM 0 HB3 ALA A 109 -0.184 -4.014 0.512 1.00 52.24 H new ATOM 799 N ARG A 110 -0.160 -6.670 -0.752 1.00 74.43 N ATOM 800 CA ARG A 110 0.193 -7.282 -2.042 1.00 10.30 C ATOM 801 C ARG A 110 -0.408 -8.692 -2.159 1.00 61.33 C ATOM 802 O ARG A 110 -0.859 -9.081 -3.233 1.00 54.45 O ATOM 803 CB ARG A 110 1.736 -7.330 -2.216 1.00 43.05 C ATOM 804 CG ARG A 110 2.190 -7.758 -3.618 1.00 2.22 C ATOM 805 CD ARG A 110 3.715 -7.854 -3.785 1.00 70.31 C ATOM 806 NE ARG A 110 4.046 -8.396 -5.110 1.00 11.42 N ATOM 807 CZ ARG A 110 4.024 -9.694 -5.437 1.00 24.41 C ATOM 808 NH1 ARG A 110 3.703 -10.630 -4.540 1.00 21.25 N ATOM 809 NH2 ARG A 110 4.284 -10.049 -6.682 1.00 0.23 N ATOM 0 H ARG A 110 0.636 -6.536 -0.128 1.00 74.43 H new ATOM 0 HA ARG A 110 -0.226 -6.667 -2.838 1.00 10.30 H new ATOM 0 HB2 ARG A 110 2.147 -6.345 -1.996 1.00 43.05 H new ATOM 0 HB3 ARG A 110 2.153 -8.020 -1.483 1.00 43.05 H new ATOM 0 HG2 ARG A 110 1.749 -8.727 -3.850 1.00 2.22 H new ATOM 0 HG3 ARG A 110 1.800 -7.047 -4.347 1.00 2.22 H new ATOM 0 HD2 ARG A 110 4.164 -6.868 -3.664 1.00 70.31 H new ATOM 0 HD3 ARG A 110 4.134 -8.493 -3.007 1.00 70.31 H new ATOM 0 HE ARG A 110 4.313 -7.732 -5.837 1.00 11.42 H new ATOM 0 HH11 ARG A 110 3.468 -10.361 -3.584 1.00 21.25 H new ATOM 0 HH12 ARG A 110 3.692 -11.613 -4.811 1.00 21.25 H new ATOM 0 HH21 ARG A 110 4.498 -9.338 -7.381 1.00 0.23 H new ATOM 0 HH22 ARG A 110 4.271 -11.035 -6.945 1.00 0.23 H new ATOM 823 N ALA A 111 -0.418 -9.429 -1.026 1.00 41.04 N ATOM 824 CA ALA A 111 -1.013 -10.776 -0.939 1.00 63.44 C ATOM 825 C ALA A 111 -2.535 -10.718 -1.171 1.00 24.33 C ATOM 826 O ALA A 111 -3.102 -11.588 -1.836 1.00 50.50 O ATOM 827 CB ALA A 111 -0.701 -11.413 0.428 1.00 41.54 C ATOM 0 H ALA A 111 -0.013 -9.104 -0.148 1.00 41.04 H new ATOM 0 HA ALA A 111 -0.573 -11.395 -1.721 1.00 63.44 H new ATOM 0 HB1 ALA A 111 -1.147 -12.406 0.477 1.00 41.54 H new ATOM 0 HB2 ALA A 111 0.379 -11.493 0.554 1.00 41.54 H new ATOM 0 HB3 ALA A 111 -1.114 -10.791 1.222 1.00 41.54 H new ATOM 833 N LEU A 112 -3.152 -9.642 -0.636 1.00 2.50 N ATOM 834 CA LEU A 112 -4.602 -9.384 -0.753 1.00 65.02 C ATOM 835 C LEU A 112 -4.990 -9.081 -2.204 1.00 2.24 C ATOM 836 O LEU A 112 -5.906 -9.701 -2.738 1.00 20.15 O ATOM 837 CB LEU A 112 -5.033 -8.219 0.176 1.00 2.35 C ATOM 838 CG LEU A 112 -5.037 -8.547 1.698 1.00 72.02 C ATOM 839 CD1 LEU A 112 -5.275 -7.281 2.535 1.00 1.34 C ATOM 840 CD2 LEU A 112 -6.076 -9.637 2.023 1.00 54.43 C ATOM 0 H LEU A 112 -2.655 -8.925 -0.108 1.00 2.50 H new ATOM 0 HA LEU A 112 -5.127 -10.286 -0.440 1.00 65.02 H new ATOM 0 HB2 LEU A 112 -4.366 -7.374 0.005 1.00 2.35 H new ATOM 0 HB3 LEU A 112 -6.034 -7.898 -0.112 1.00 2.35 H new ATOM 0 HG LEU A 112 -4.054 -8.936 1.962 1.00 72.02 H new ATOM 0 HD11 LEU A 112 -5.273 -7.539 3.594 1.00 1.34 H new ATOM 0 HD12 LEU A 112 -4.483 -6.559 2.336 1.00 1.34 H new ATOM 0 HD13 LEU A 112 -6.238 -6.845 2.270 1.00 1.34 H new ATOM 0 HD21 LEU A 112 -6.059 -9.848 3.092 1.00 54.43 H new ATOM 0 HD22 LEU A 112 -7.069 -9.290 1.737 1.00 54.43 H new ATOM 0 HD23 LEU A 112 -5.836 -10.545 1.470 1.00 54.43 H new ATOM 852 N VAL A 113 -4.252 -8.148 -2.838 1.00 44.43 N ATOM 853 CA VAL A 113 -4.496 -7.758 -4.231 1.00 41.50 C ATOM 854 C VAL A 113 -4.272 -8.966 -5.162 1.00 33.41 C ATOM 855 O VAL A 113 -5.097 -9.234 -6.032 1.00 13.23 O ATOM 856 CB VAL A 113 -3.599 -6.546 -4.695 1.00 3.15 C ATOM 857 CG1 VAL A 113 -3.971 -6.092 -6.128 1.00 50.13 C ATOM 858 CG2 VAL A 113 -3.690 -5.359 -3.712 1.00 21.15 C ATOM 0 H VAL A 113 -3.478 -7.650 -2.399 1.00 44.43 H new ATOM 0 HA VAL A 113 -5.533 -7.427 -4.292 1.00 41.50 H new ATOM 0 HB VAL A 113 -2.567 -6.896 -4.701 1.00 3.15 H new ATOM 0 HG11 VAL A 113 -3.337 -5.255 -6.421 1.00 50.13 H new ATOM 0 HG12 VAL A 113 -3.823 -6.920 -6.822 1.00 50.13 H new ATOM 0 HG13 VAL A 113 -5.015 -5.781 -6.151 1.00 50.13 H new ATOM 0 HG21 VAL A 113 -3.059 -4.544 -4.066 1.00 21.15 H new ATOM 0 HG22 VAL A 113 -4.723 -5.017 -3.649 1.00 21.15 H new ATOM 0 HG23 VAL A 113 -3.353 -5.677 -2.725 1.00 21.15 H new ATOM 868 N ARG A 114 -3.189 -9.725 -4.884 1.00 60.32 N ATOM 869 CA ARG A 114 -2.770 -10.884 -5.690 1.00 44.00 C ATOM 870 C ARG A 114 -3.885 -11.950 -5.766 1.00 0.01 C ATOM 871 O ARG A 114 -4.332 -12.300 -6.857 1.00 42.32 O ATOM 872 CB ARG A 114 -1.471 -11.510 -5.103 1.00 74.42 C ATOM 873 CG ARG A 114 -0.921 -12.711 -5.910 1.00 74.10 C ATOM 874 CD ARG A 114 -0.519 -12.325 -7.346 1.00 25.41 C ATOM 875 NE ARG A 114 -0.132 -13.493 -8.149 1.00 13.54 N ATOM 876 CZ ARG A 114 0.233 -13.438 -9.437 1.00 33.52 C ATOM 877 NH1 ARG A 114 0.283 -12.271 -10.083 1.00 52.40 N ATOM 878 NH2 ARG A 114 0.532 -14.556 -10.083 1.00 35.54 N ATOM 0 H ARG A 114 -2.579 -9.546 -4.087 1.00 60.32 H new ATOM 0 HA ARG A 114 -2.571 -10.531 -6.702 1.00 44.00 H new ATOM 0 HB2 ARG A 114 -0.702 -10.739 -5.051 1.00 74.42 H new ATOM 0 HB3 ARG A 114 -1.667 -11.834 -4.081 1.00 74.42 H new ATOM 0 HG2 ARG A 114 -0.055 -13.125 -5.393 1.00 74.10 H new ATOM 0 HG3 ARG A 114 -1.676 -13.496 -5.947 1.00 74.10 H new ATOM 0 HD2 ARG A 114 -1.352 -11.814 -7.829 1.00 25.41 H new ATOM 0 HD3 ARG A 114 0.311 -11.619 -7.311 1.00 25.41 H new ATOM 0 HE ARG A 114 -0.142 -14.407 -7.696 1.00 13.54 H new ATOM 0 HH11 ARG A 114 0.042 -11.408 -9.596 1.00 52.40 H new ATOM 0 HH12 ARG A 114 0.562 -12.242 -11.064 1.00 52.40 H new ATOM 0 HH21 ARG A 114 0.484 -15.453 -9.600 1.00 35.54 H new ATOM 0 HH22 ARG A 114 0.810 -14.520 -11.064 1.00 35.54 H new ATOM 1319 N THR B 75 -5.106 -3.398 -10.893 1.00 12.33 N ATOM 1320 CA THR B 75 -3.773 -3.811 -11.356 1.00 14.33 C ATOM 1321 C THR B 75 -2.736 -2.747 -10.966 1.00 11.14 C ATOM 1322 O THR B 75 -1.632 -3.083 -10.524 1.00 51.14 O ATOM 1323 CB THR B 75 -3.774 -4.023 -12.901 1.00 2.40 C ATOM 1324 OG1 THR B 75 -4.813 -4.938 -13.253 1.00 2.25 O ATOM 1325 CG2 THR B 75 -2.431 -4.546 -13.426 1.00 53.22 C ATOM 0 HA THR B 75 -3.511 -4.756 -10.880 1.00 14.33 H new ATOM 0 HB THR B 75 -3.945 -3.051 -13.363 1.00 2.40 H new ATOM 0 HG1 THR B 75 -5.539 -4.876 -12.598 1.00 2.25 H new ATOM 0 HG21 THR B 75 -2.488 -4.675 -14.507 1.00 53.22 H new ATOM 0 HG22 THR B 75 -1.644 -3.831 -13.187 1.00 53.22 H new ATOM 0 HG23 THR B 75 -2.205 -5.504 -12.957 1.00 53.22 H new ATOM 1333 N ASP B 76 -3.134 -1.463 -11.127 1.00 31.13 N ATOM 1334 CA ASP B 76 -2.384 -0.296 -10.640 1.00 31.41 C ATOM 1335 C ASP B 76 -2.138 -0.445 -9.151 1.00 45.03 C ATOM 1336 O ASP B 76 -1.056 -0.174 -8.701 1.00 4.53 O ATOM 1337 CB ASP B 76 -3.129 1.051 -10.906 1.00 44.24 C ATOM 1338 CG ASP B 76 -2.961 1.565 -12.343 1.00 70.32 C ATOM 1339 OD1 ASP B 76 -1.896 2.146 -12.654 1.00 72.32 O ATOM 1340 OD2 ASP B 76 -3.881 1.399 -13.161 1.00 50.30 O ATOM 0 H ASP B 76 -3.999 -1.212 -11.607 1.00 31.13 H new ATOM 0 HA ASP B 76 -1.443 -0.262 -11.188 1.00 31.41 H new ATOM 0 HB2 ASP B 76 -4.190 0.918 -10.697 1.00 44.24 H new ATOM 0 HB3 ASP B 76 -2.759 1.806 -10.212 1.00 44.24 H new ATOM 1345 N LEU B 77 -3.163 -0.921 -8.417 1.00 62.21 N ATOM 1346 CA LEU B 77 -3.078 -1.136 -6.970 1.00 24.23 C ATOM 1347 C LEU B 77 -1.931 -2.103 -6.617 1.00 2.22 C ATOM 1348 O LEU B 77 -1.108 -1.762 -5.783 1.00 10.22 O ATOM 1349 CB LEU B 77 -4.429 -1.638 -6.424 1.00 52.43 C ATOM 1350 CG LEU B 77 -4.512 -1.852 -4.883 1.00 72.12 C ATOM 1351 CD1 LEU B 77 -4.201 -0.559 -4.108 1.00 23.31 C ATOM 1352 CD2 LEU B 77 -5.882 -2.410 -4.498 1.00 34.51 C ATOM 0 H LEU B 77 -4.070 -1.165 -8.816 1.00 62.21 H new ATOM 0 HA LEU B 77 -2.853 -0.183 -6.492 1.00 24.23 H new ATOM 0 HB2 LEU B 77 -5.201 -0.925 -6.713 1.00 52.43 H new ATOM 0 HB3 LEU B 77 -4.667 -2.582 -6.914 1.00 52.43 H new ATOM 0 HG LEU B 77 -3.750 -2.580 -4.605 1.00 72.12 H new ATOM 0 HD11 LEU B 77 -4.270 -0.751 -3.037 1.00 23.31 H new ATOM 0 HD12 LEU B 77 -3.194 -0.222 -4.352 1.00 23.31 H new ATOM 0 HD13 LEU B 77 -4.919 0.213 -4.385 1.00 23.31 H new ATOM 0 HD21 LEU B 77 -5.926 -2.555 -3.419 1.00 34.51 H new ATOM 0 HD22 LEU B 77 -6.659 -1.709 -4.802 1.00 34.51 H new ATOM 0 HD23 LEU B 77 -6.040 -3.365 -4.999 1.00 34.51 H new ATOM 1364 N LEU B 78 -1.848 -3.269 -7.314 1.00 72.21 N ATOM 1365 CA LEU B 78 -0.749 -4.250 -7.101 1.00 12.04 C ATOM 1366 C LEU B 78 0.616 -3.618 -7.437 1.00 51.20 C ATOM 1367 O LEU B 78 1.603 -3.826 -6.716 1.00 52.24 O ATOM 1368 CB LEU B 78 -0.941 -5.532 -7.968 1.00 53.31 C ATOM 1369 CG LEU B 78 0.028 -6.717 -7.626 1.00 2.43 C ATOM 1370 CD1 LEU B 78 -0.238 -7.269 -6.214 1.00 43.02 C ATOM 1371 CD2 LEU B 78 -0.036 -7.839 -8.678 1.00 33.51 C ATOM 0 H LEU B 78 -2.525 -3.551 -8.023 1.00 72.21 H new ATOM 0 HA LEU B 78 -0.777 -4.533 -6.049 1.00 12.04 H new ATOM 0 HB2 LEU B 78 -1.968 -5.878 -7.854 1.00 53.31 H new ATOM 0 HB3 LEU B 78 -0.809 -5.266 -9.017 1.00 53.31 H new ATOM 0 HG LEU B 78 1.040 -6.313 -7.645 1.00 2.43 H new ATOM 0 HD11 LEU B 78 0.450 -8.089 -6.008 1.00 43.02 H new ATOM 0 HD12 LEU B 78 -0.089 -6.477 -5.480 1.00 43.02 H new ATOM 0 HD13 LEU B 78 -1.264 -7.632 -6.153 1.00 43.02 H new ATOM 0 HD21 LEU B 78 0.651 -8.638 -8.400 1.00 33.51 H new ATOM 0 HD22 LEU B 78 -1.051 -8.234 -8.727 1.00 33.51 H new ATOM 0 HD23 LEU B 78 0.246 -7.441 -9.653 1.00 33.51 H new ATOM 1383 N SER B 79 0.627 -2.818 -8.527 1.00 2.11 N ATOM 1384 CA SER B 79 1.814 -2.095 -8.990 1.00 60.03 C ATOM 1385 C SER B 79 2.302 -1.110 -7.911 1.00 34.43 C ATOM 1386 O SER B 79 3.477 -1.074 -7.603 1.00 51.33 O ATOM 1387 CB SER B 79 1.490 -1.332 -10.291 1.00 51.21 C ATOM 1388 OG SER B 79 0.972 -2.203 -11.283 1.00 42.11 O ATOM 0 H SER B 79 -0.197 -2.661 -9.108 1.00 2.11 H new ATOM 0 HA SER B 79 2.607 -2.817 -9.185 1.00 60.03 H new ATOM 0 HB2 SER B 79 0.767 -0.544 -10.082 1.00 51.21 H new ATOM 0 HB3 SER B 79 2.392 -0.847 -10.665 1.00 51.21 H new ATOM 0 HG SER B 79 0.048 -2.442 -11.059 1.00 42.11 H new ATOM 1394 N VAL B 80 1.341 -0.389 -7.305 1.00 4.13 N ATOM 1395 CA VAL B 80 1.598 0.683 -6.333 1.00 72.52 C ATOM 1396 C VAL B 80 2.123 0.103 -5.019 1.00 31.33 C ATOM 1397 O VAL B 80 3.062 0.647 -4.455 1.00 34.25 O ATOM 1398 CB VAL B 80 0.297 1.545 -6.089 1.00 55.05 C ATOM 1399 CG1 VAL B 80 0.435 2.502 -4.890 1.00 74.32 C ATOM 1400 CG2 VAL B 80 -0.069 2.343 -7.355 1.00 55.41 C ATOM 0 H VAL B 80 0.348 -0.540 -7.482 1.00 4.13 H new ATOM 0 HA VAL B 80 2.363 1.341 -6.745 1.00 72.52 H new ATOM 0 HB VAL B 80 -0.503 0.842 -5.855 1.00 55.05 H new ATOM 0 HG11 VAL B 80 -0.488 3.069 -4.769 1.00 74.32 H new ATOM 0 HG12 VAL B 80 0.628 1.926 -3.985 1.00 74.32 H new ATOM 0 HG13 VAL B 80 1.262 3.189 -5.066 1.00 74.32 H new ATOM 0 HG21 VAL B 80 -0.968 2.931 -7.168 1.00 55.41 H new ATOM 0 HG22 VAL B 80 0.753 3.010 -7.615 1.00 55.41 H new ATOM 0 HG23 VAL B 80 -0.252 1.654 -8.179 1.00 55.41 H new ATOM 1410 N ILE B 81 1.524 -1.017 -4.556 1.00 30.24 N ATOM 1411 CA ILE B 81 1.993 -1.731 -3.351 1.00 50.04 C ATOM 1412 C ILE B 81 3.462 -2.158 -3.541 1.00 43.41 C ATOM 1413 O ILE B 81 4.294 -1.978 -2.653 1.00 43.42 O ATOM 1414 CB ILE B 81 1.106 -2.994 -3.009 1.00 73.43 C ATOM 1415 CG1 ILE B 81 -0.408 -2.631 -2.891 1.00 71.53 C ATOM 1416 CG2 ILE B 81 1.595 -3.673 -1.715 1.00 71.31 C ATOM 1417 CD1 ILE B 81 -0.749 -1.531 -1.899 1.00 70.25 C ATOM 0 H ILE B 81 0.713 -1.446 -5.001 1.00 30.24 H new ATOM 0 HA ILE B 81 1.907 -1.042 -2.511 1.00 50.04 H new ATOM 0 HB ILE B 81 1.214 -3.694 -3.837 1.00 73.43 H new ATOM 0 HG12 ILE B 81 -0.768 -2.331 -3.875 1.00 71.53 H new ATOM 0 HG13 ILE B 81 -0.957 -3.530 -2.611 1.00 71.53 H new ATOM 0 HG21 ILE B 81 0.969 -4.539 -1.500 1.00 71.31 H new ATOM 0 HG22 ILE B 81 2.629 -3.994 -1.841 1.00 71.31 H new ATOM 0 HG23 ILE B 81 1.533 -2.966 -0.887 1.00 71.31 H new ATOM 0 HD11 ILE B 81 -1.826 -1.362 -1.899 1.00 70.25 H new ATOM 0 HD12 ILE B 81 -0.429 -1.829 -0.901 1.00 70.25 H new ATOM 0 HD13 ILE B 81 -0.237 -0.612 -2.185 1.00 70.25 H new ATOM 1429 N GLU B 82 3.762 -2.651 -4.749 1.00 71.11 N ATOM 1430 CA GLU B 82 5.101 -3.120 -5.109 1.00 60.14 C ATOM 1431 C GLU B 82 6.096 -1.930 -5.245 1.00 41.44 C ATOM 1432 O GLU B 82 7.248 -2.035 -4.808 1.00 24.11 O ATOM 1433 CB GLU B 82 5.014 -3.932 -6.428 1.00 73.15 C ATOM 1434 CG GLU B 82 6.311 -4.646 -6.857 1.00 23.21 C ATOM 1435 CD GLU B 82 6.689 -5.842 -5.961 1.00 73.11 C ATOM 1436 OE1 GLU B 82 7.389 -5.647 -4.943 1.00 55.42 O ATOM 1437 OE2 GLU B 82 6.299 -6.984 -6.289 1.00 21.31 O ATOM 0 H GLU B 82 3.081 -2.735 -5.503 1.00 71.11 H new ATOM 0 HA GLU B 82 5.482 -3.764 -4.316 1.00 60.14 H new ATOM 0 HB2 GLU B 82 4.227 -4.679 -6.323 1.00 73.15 H new ATOM 0 HB3 GLU B 82 4.709 -3.258 -7.229 1.00 73.15 H new ATOM 0 HG2 GLU B 82 6.200 -4.994 -7.884 1.00 23.21 H new ATOM 0 HG3 GLU B 82 7.130 -3.926 -6.851 1.00 23.21 H new ATOM 1444 N GLU B 83 5.624 -0.793 -5.817 1.00 11.11 N ATOM 1445 CA GLU B 83 6.441 0.432 -5.989 1.00 30.14 C ATOM 1446 C GLU B 83 6.844 0.978 -4.613 1.00 25.11 C ATOM 1447 O GLU B 83 8.013 1.284 -4.368 1.00 55.53 O ATOM 1448 CB GLU B 83 5.667 1.546 -6.764 1.00 0.10 C ATOM 1449 CG GLU B 83 5.386 1.280 -8.264 1.00 55.25 C ATOM 1450 CD GLU B 83 6.644 1.186 -9.148 1.00 60.43 C ATOM 1451 OE1 GLU B 83 7.469 2.125 -9.119 1.00 72.31 O ATOM 1452 OE2 GLU B 83 6.811 0.189 -9.886 1.00 54.23 O ATOM 0 H GLU B 83 4.671 -0.701 -6.170 1.00 11.11 H new ATOM 0 HA GLU B 83 7.322 0.159 -6.570 1.00 30.14 H new ATOM 0 HB2 GLU B 83 4.713 1.710 -6.263 1.00 0.10 H new ATOM 0 HB3 GLU B 83 6.233 2.474 -6.683 1.00 0.10 H new ATOM 0 HG2 GLU B 83 4.824 0.350 -8.355 1.00 55.25 H new ATOM 0 HG3 GLU B 83 4.748 2.077 -8.647 1.00 55.25 H new ATOM 1459 N MET B 84 5.843 1.078 -3.727 1.00 50.31 N ATOM 1460 CA MET B 84 6.013 1.518 -2.340 1.00 40.30 C ATOM 1461 C MET B 84 6.911 0.557 -1.556 1.00 42.21 C ATOM 1462 O MET B 84 7.659 0.986 -0.680 1.00 14.14 O ATOM 1463 CB MET B 84 4.632 1.666 -1.652 1.00 54.20 C ATOM 1464 CG MET B 84 3.776 2.802 -2.226 1.00 12.24 C ATOM 1465 SD MET B 84 2.244 3.043 -1.312 1.00 31.14 S ATOM 1466 CE MET B 84 1.451 1.442 -1.433 1.00 52.01 C ATOM 0 H MET B 84 4.877 0.851 -3.961 1.00 50.31 H new ATOM 0 HA MET B 84 6.504 2.491 -2.351 1.00 40.30 H new ATOM 0 HB2 MET B 84 4.086 0.728 -1.748 1.00 54.20 H new ATOM 0 HB3 MET B 84 4.783 1.840 -0.587 1.00 54.20 H new ATOM 0 HG2 MET B 84 4.352 3.728 -2.214 1.00 12.24 H new ATOM 0 HG3 MET B 84 3.543 2.585 -3.268 1.00 12.24 H new ATOM 0 HE1 MET B 84 0.433 1.510 -1.049 1.00 52.01 H new ATOM 0 HE2 MET B 84 1.425 1.127 -2.476 1.00 52.01 H new ATOM 0 HE3 MET B 84 2.012 0.713 -0.848 1.00 52.01 H new ATOM 1476 N GLY B 85 6.850 -0.732 -1.927 1.00 3.31 N ATOM 1477 CA GLY B 85 7.669 -1.770 -1.318 1.00 4.14 C ATOM 1478 C GLY B 85 9.164 -1.541 -1.475 1.00 61.01 C ATOM 1479 O GLY B 85 9.944 -1.986 -0.630 1.00 32.55 O ATOM 0 H GLY B 85 6.228 -1.075 -2.659 1.00 3.31 H new ATOM 0 HA2 GLY B 85 7.430 -1.833 -0.256 1.00 4.14 H new ATOM 0 HA3 GLY B 85 7.409 -2.732 -1.761 1.00 4.14 H new ATOM 1483 N LYS B 86 9.564 -0.847 -2.561 1.00 60.42 N ATOM 1484 CA LYS B 86 10.973 -0.480 -2.803 1.00 55.24 C ATOM 1485 C LYS B 86 11.267 0.968 -2.342 1.00 62.22 C ATOM 1486 O LYS B 86 12.432 1.354 -2.270 1.00 11.11 O ATOM 1487 CB LYS B 86 11.412 -0.779 -4.276 1.00 14.22 C ATOM 1488 CG LYS B 86 10.699 -0.014 -5.419 1.00 43.32 C ATOM 1489 CD LYS B 86 11.282 1.392 -5.704 1.00 42.25 C ATOM 1490 CE LYS B 86 10.711 2.015 -6.984 1.00 21.12 C ATOM 1491 NZ LYS B 86 9.229 2.085 -6.953 1.00 62.02 N ATOM 0 H LYS B 86 8.924 -0.528 -3.289 1.00 60.42 H new ATOM 0 HA LYS B 86 11.600 -1.122 -2.183 1.00 55.24 H new ATOM 0 HB2 LYS B 86 12.480 -0.575 -4.354 1.00 14.22 H new ATOM 0 HB3 LYS B 86 11.277 -1.846 -4.454 1.00 14.22 H new ATOM 0 HG2 LYS B 86 10.756 -0.610 -6.330 1.00 43.32 H new ATOM 0 HG3 LYS B 86 9.643 0.087 -5.169 1.00 43.32 H new ATOM 0 HD2 LYS B 86 11.071 2.048 -4.859 1.00 42.25 H new ATOM 0 HD3 LYS B 86 12.366 1.322 -5.790 1.00 42.25 H new ATOM 0 HE2 LYS B 86 11.119 3.018 -7.113 1.00 21.12 H new ATOM 0 HE3 LYS B 86 11.029 1.428 -7.846 1.00 21.12 H new ATOM 0 HZ1 LYS B 86 8.844 1.684 -7.832 1.00 62.02 H new ATOM 0 HZ2 LYS B 86 8.873 1.543 -6.140 1.00 62.02 H new ATOM 0 HZ3 LYS B 86 8.930 3.077 -6.865 1.00 62.02 H new ATOM 1505 N GLU B 87 10.212 1.767 -2.049 1.00 12.03 N ATOM 1506 CA GLU B 87 10.376 3.137 -1.491 1.00 34.32 C ATOM 1507 C GLU B 87 10.757 3.092 -0.007 1.00 22.22 C ATOM 1508 O GLU B 87 11.341 4.047 0.496 1.00 20.23 O ATOM 1509 CB GLU B 87 9.076 3.983 -1.603 1.00 75.02 C ATOM 1510 CG GLU B 87 8.495 4.146 -3.008 1.00 74.22 C ATOM 1511 CD GLU B 87 9.452 4.725 -4.056 1.00 30.33 C ATOM 1512 OE1 GLU B 87 10.317 5.556 -3.727 1.00 53.24 O ATOM 1513 OE2 GLU B 87 9.293 4.386 -5.246 1.00 43.33 O ATOM 0 H GLU B 87 9.240 1.490 -2.188 1.00 12.03 H new ATOM 0 HA GLU B 87 11.167 3.597 -2.082 1.00 34.32 H new ATOM 0 HB2 GLU B 87 8.315 3.528 -0.969 1.00 75.02 H new ATOM 0 HB3 GLU B 87 9.277 4.975 -1.198 1.00 75.02 H new ATOM 0 HG2 GLU B 87 8.151 3.172 -3.355 1.00 74.22 H new ATOM 0 HG3 GLU B 87 7.618 4.791 -2.947 1.00 74.22 H new ATOM 1520 N ILE B 88 10.416 1.983 0.669 1.00 52.22 N ATOM 1521 CA ILE B 88 10.581 1.820 2.129 1.00 42.10 C ATOM 1522 C ILE B 88 12.044 2.046 2.572 1.00 1.24 C ATOM 1523 O ILE B 88 12.295 2.755 3.544 1.00 24.52 O ATOM 1524 CB ILE B 88 10.105 0.381 2.562 1.00 35.34 C ATOM 1525 CG1 ILE B 88 8.611 0.170 2.177 1.00 62.33 C ATOM 1526 CG2 ILE B 88 10.345 0.125 4.069 1.00 13.55 C ATOM 1527 CD1 ILE B 88 8.079 -1.225 2.405 1.00 42.20 C ATOM 0 H ILE B 88 10.013 1.163 0.215 1.00 52.22 H new ATOM 0 HA ILE B 88 9.967 2.575 2.620 1.00 42.10 H new ATOM 0 HB ILE B 88 10.706 -0.351 2.022 1.00 35.34 H new ATOM 0 HG12 ILE B 88 8.003 0.871 2.748 1.00 62.33 H new ATOM 0 HG13 ILE B 88 8.485 0.422 1.124 1.00 62.33 H new ATOM 0 HG21 ILE B 88 10.003 -0.877 4.327 1.00 13.55 H new ATOM 0 HG22 ILE B 88 11.409 0.213 4.288 1.00 13.55 H new ATOM 0 HG23 ILE B 88 9.792 0.859 4.655 1.00 13.55 H new ATOM 0 HD11 ILE B 88 7.032 -1.268 2.106 1.00 42.20 H new ATOM 0 HD12 ILE B 88 8.655 -1.936 1.812 1.00 42.20 H new ATOM 0 HD13 ILE B 88 8.166 -1.479 3.461 1.00 42.20 H new ATOM 1539 N ARG B 89 12.985 1.442 1.824 1.00 12.01 N ATOM 1540 CA ARG B 89 14.426 1.493 2.135 1.00 51.25 C ATOM 1541 C ARG B 89 15.005 2.940 1.999 1.00 52.11 C ATOM 1542 O ARG B 89 15.563 3.446 2.977 1.00 52.25 O ATOM 1543 CB ARG B 89 15.195 0.457 1.268 1.00 33.42 C ATOM 1544 CG ARG B 89 16.722 0.416 1.483 1.00 11.33 C ATOM 1545 CD ARG B 89 17.421 -0.554 0.518 1.00 40.03 C ATOM 1546 NE ARG B 89 18.870 -0.657 0.769 1.00 4.11 N ATOM 1547 CZ ARG B 89 19.645 -1.682 0.381 1.00 24.30 C ATOM 1548 NH1 ARG B 89 19.124 -2.715 -0.280 1.00 53.12 N ATOM 1549 NH2 ARG B 89 20.941 -1.673 0.654 1.00 61.55 N ATOM 0 H ARG B 89 12.768 0.904 0.985 1.00 12.01 H new ATOM 0 HA ARG B 89 14.563 1.219 3.181 1.00 51.25 H new ATOM 0 HB2 ARG B 89 14.790 -0.534 1.472 1.00 33.42 H new ATOM 0 HB3 ARG B 89 14.999 0.671 0.217 1.00 33.42 H new ATOM 0 HG2 ARG B 89 17.132 1.417 1.349 1.00 11.33 H new ATOM 0 HG3 ARG B 89 16.934 0.119 2.510 1.00 11.33 H new ATOM 0 HD2 ARG B 89 16.969 -1.541 0.610 1.00 40.03 H new ATOM 0 HD3 ARG B 89 17.256 -0.223 -0.507 1.00 40.03 H new ATOM 0 HE ARG B 89 19.317 0.107 1.275 1.00 4.11 H new ATOM 0 HH11 ARG B 89 18.127 -2.732 -0.496 1.00 53.12 H new ATOM 0 HH12 ARG B 89 19.722 -3.489 -0.570 1.00 53.12 H new ATOM 0 HH21 ARG B 89 21.350 -0.887 1.159 1.00 61.55 H new ATOM 0 HH22 ARG B 89 21.530 -2.452 0.359 1.00 61.55 H new ATOM 1563 N PRO B 90 14.897 3.648 0.816 1.00 21.12 N ATOM 1564 CA PRO B 90 15.406 5.039 0.690 1.00 42.22 C ATOM 1565 C PRO B 90 14.675 6.041 1.626 1.00 3.20 C ATOM 1566 O PRO B 90 15.318 6.948 2.154 1.00 73.52 O ATOM 1567 CB PRO B 90 15.226 5.370 -0.810 1.00 32.14 C ATOM 1568 CG PRO B 90 14.197 4.406 -1.313 1.00 12.44 C ATOM 1569 CD PRO B 90 14.356 3.164 -0.482 1.00 2.21 C ATOM 0 HA PRO B 90 16.446 5.125 1.006 1.00 42.22 H new ATOM 0 HB2 PRO B 90 14.899 6.400 -0.948 1.00 32.14 H new ATOM 0 HB3 PRO B 90 16.165 5.259 -1.352 1.00 32.14 H new ATOM 0 HG2 PRO B 90 13.193 4.818 -1.212 1.00 12.44 H new ATOM 0 HG3 PRO B 90 14.348 4.190 -2.371 1.00 12.44 H new ATOM 0 HD2 PRO B 90 13.403 2.652 -0.348 1.00 2.21 H new ATOM 0 HD3 PRO B 90 15.035 2.455 -0.955 1.00 2.21 H new ATOM 1577 N THR B 91 13.350 5.854 1.841 1.00 31.33 N ATOM 1578 CA THR B 91 12.567 6.634 2.841 1.00 73.42 C ATOM 1579 C THR B 91 13.192 6.493 4.247 1.00 64.44 C ATOM 1580 O THR B 91 13.396 7.479 4.965 1.00 62.22 O ATOM 1581 CB THR B 91 11.074 6.155 2.880 1.00 32.02 C ATOM 1582 OG1 THR B 91 10.453 6.439 1.622 1.00 32.32 O ATOM 1583 CG2 THR B 91 10.253 6.810 4.011 1.00 65.43 C ATOM 0 H THR B 91 12.795 5.166 1.333 1.00 31.33 H new ATOM 0 HA THR B 91 12.592 7.681 2.541 1.00 73.42 H new ATOM 0 HB THR B 91 11.090 5.083 3.077 1.00 32.02 H new ATOM 0 HG1 THR B 91 10.639 5.710 0.994 1.00 32.32 H new ATOM 0 HG21 THR B 91 9.230 6.435 3.982 1.00 65.43 H new ATOM 0 HG22 THR B 91 10.701 6.566 4.974 1.00 65.43 H new ATOM 0 HG23 THR B 91 10.247 7.892 3.877 1.00 65.43 H new ATOM 1591 N TYR B 92 13.513 5.235 4.589 1.00 14.13 N ATOM 1592 CA TYR B 92 14.196 4.860 5.834 1.00 62.01 C ATOM 1593 C TYR B 92 15.616 5.472 5.921 1.00 64.53 C ATOM 1594 O TYR B 92 16.135 5.684 7.015 1.00 34.42 O ATOM 1595 CB TYR B 92 14.244 3.309 5.925 1.00 44.21 C ATOM 1596 CG TYR B 92 14.932 2.772 7.172 1.00 73.12 C ATOM 1597 CD1 TYR B 92 14.462 3.100 8.436 1.00 34.31 C ATOM 1598 CD2 TYR B 92 16.059 1.951 7.089 1.00 14.33 C ATOM 1599 CE1 TYR B 92 15.091 2.651 9.561 1.00 11.32 C ATOM 1600 CE2 TYR B 92 16.696 1.505 8.225 1.00 44.33 C ATOM 1601 CZ TYR B 92 16.202 1.852 9.457 1.00 71.32 C ATOM 1602 OH TYR B 92 16.843 1.427 10.596 1.00 63.23 O ATOM 0 H TYR B 92 13.300 4.434 3.994 1.00 14.13 H new ATOM 0 HA TYR B 92 13.639 5.261 6.680 1.00 62.01 H new ATOM 0 HB2 TYR B 92 13.225 2.924 5.893 1.00 44.21 H new ATOM 0 HB3 TYR B 92 14.759 2.922 5.046 1.00 44.21 H new ATOM 0 HD1 TYR B 92 13.584 3.721 8.531 1.00 34.31 H new ATOM 0 HD2 TYR B 92 16.436 1.662 6.119 1.00 14.33 H new ATOM 0 HE1 TYR B 92 14.714 2.925 10.535 1.00 11.32 H new ATOM 0 HE2 TYR B 92 17.578 0.887 8.147 1.00 44.33 H new ATOM 0 HH TYR B 92 17.295 0.576 10.419 1.00 63.23 H new ATOM 1612 N ALA B 93 16.217 5.758 4.757 1.00 54.12 N ATOM 1613 CA ALA B 93 17.543 6.403 4.661 1.00 41.14 C ATOM 1614 C ALA B 93 17.433 7.949 4.663 1.00 71.34 C ATOM 1615 O ALA B 93 18.443 8.646 4.549 1.00 14.34 O ATOM 1616 CB ALA B 93 18.262 5.898 3.400 1.00 75.21 C ATOM 0 H ALA B 93 15.799 5.549 3.850 1.00 54.12 H new ATOM 0 HA ALA B 93 18.127 6.132 5.541 1.00 41.14 H new ATOM 0 HB1 ALA B 93 19.241 6.371 3.325 1.00 75.21 H new ATOM 0 HB2 ALA B 93 18.385 4.817 3.460 1.00 75.21 H new ATOM 0 HB3 ALA B 93 17.670 6.147 2.519 1.00 75.21 H new ATOM 1622 N GLY B 94 16.198 8.476 4.823 1.00 55.10 N ATOM 1623 CA GLY B 94 15.958 9.929 4.917 1.00 5.44 C ATOM 1624 C GLY B 94 15.692 10.633 3.591 1.00 33.30 C ATOM 1625 O GLY B 94 15.682 11.873 3.555 1.00 13.43 O ATOM 0 H GLY B 94 15.351 7.912 4.890 1.00 55.10 H new ATOM 0 HA2 GLY B 94 15.107 10.098 5.576 1.00 5.44 H new ATOM 0 HA3 GLY B 94 16.824 10.394 5.389 1.00 5.44 H new ATOM 1629 N SER B 95 15.493 9.862 2.509 1.00 23.13 N ATOM 1630 CA SER B 95 15.121 10.417 1.195 1.00 15.00 C ATOM 1631 C SER B 95 13.678 10.946 1.213 1.00 15.42 C ATOM 1632 O SER B 95 12.721 10.161 1.193 1.00 60.04 O ATOM 1633 CB SER B 95 15.270 9.353 0.088 1.00 5.40 C ATOM 1634 OG SER B 95 14.873 9.851 -1.189 1.00 52.35 O ATOM 0 H SER B 95 15.584 8.846 2.518 1.00 23.13 H new ATOM 0 HA SER B 95 15.797 11.245 0.982 1.00 15.00 H new ATOM 0 HB2 SER B 95 16.307 9.021 0.041 1.00 5.40 H new ATOM 0 HB3 SER B 95 14.667 8.481 0.340 1.00 5.40 H new ATOM 0 HG SER B 95 14.984 9.148 -1.863 1.00 52.35 H new ATOM 1640 N LYS B 96 13.548 12.284 1.310 1.00 2.14 N ATOM 1641 CA LYS B 96 12.264 13.007 1.150 1.00 74.43 C ATOM 1642 C LYS B 96 11.601 12.718 -0.211 1.00 20.21 C ATOM 1643 O LYS B 96 10.376 12.795 -0.331 1.00 24.24 O ATOM 1644 CB LYS B 96 12.453 14.550 1.329 1.00 53.02 C ATOM 1645 CG LYS B 96 13.241 15.295 0.210 1.00 0.11 C ATOM 1646 CD LYS B 96 14.736 14.914 0.128 1.00 52.25 C ATOM 1647 CE LYS B 96 15.499 15.686 -0.960 1.00 20.34 C ATOM 1648 NZ LYS B 96 16.937 15.304 -0.994 1.00 21.44 N ATOM 0 H LYS B 96 14.336 12.902 1.503 1.00 2.14 H new ATOM 0 HA LYS B 96 11.603 12.638 1.934 1.00 74.43 H new ATOM 0 HB2 LYS B 96 11.466 15.006 1.411 1.00 53.02 H new ATOM 0 HB3 LYS B 96 12.964 14.722 2.277 1.00 53.02 H new ATOM 0 HG2 LYS B 96 12.771 15.086 -0.751 1.00 0.11 H new ATOM 0 HG3 LYS B 96 13.160 16.369 0.377 1.00 0.11 H new ATOM 0 HD2 LYS B 96 15.205 15.101 1.094 1.00 52.25 H new ATOM 0 HD3 LYS B 96 14.822 13.845 -0.066 1.00 52.25 H new ATOM 0 HE2 LYS B 96 15.046 15.490 -1.932 1.00 20.34 H new ATOM 0 HE3 LYS B 96 15.410 16.757 -0.778 1.00 20.34 H new ATOM 0 HZ1 LYS B 96 17.422 15.844 -1.739 1.00 21.44 H new ATOM 0 HZ2 LYS B 96 17.374 15.514 -0.074 1.00 21.44 H new ATOM 0 HZ3 LYS B 96 17.021 14.287 -1.193 1.00 21.44 H new ATOM 1662 N SER B 97 12.433 12.396 -1.218 1.00 0.21 N ATOM 1663 CA SER B 97 11.980 12.079 -2.573 1.00 44.41 C ATOM 1664 C SER B 97 11.179 10.762 -2.591 1.00 63.14 C ATOM 1665 O SER B 97 10.036 10.727 -3.058 1.00 21.23 O ATOM 1666 CB SER B 97 13.207 11.983 -3.506 1.00 24.13 C ATOM 1667 OG SER B 97 13.994 13.170 -3.444 1.00 42.12 O ATOM 0 H SER B 97 13.446 12.350 -1.107 1.00 0.21 H new ATOM 0 HA SER B 97 11.319 12.871 -2.924 1.00 44.41 H new ATOM 0 HB2 SER B 97 13.816 11.124 -3.224 1.00 24.13 H new ATOM 0 HB3 SER B 97 12.876 11.816 -4.531 1.00 24.13 H new ATOM 0 HG SER B 97 14.765 13.083 -4.042 1.00 42.12 H new ATOM 1673 N ALA B 98 11.801 9.696 -2.046 1.00 43.44 N ATOM 1674 CA ALA B 98 11.199 8.361 -1.950 1.00 65.05 C ATOM 1675 C ALA B 98 10.012 8.341 -0.982 1.00 62.23 C ATOM 1676 O ALA B 98 9.051 7.610 -1.196 1.00 54.12 O ATOM 1677 CB ALA B 98 12.254 7.350 -1.516 1.00 51.41 C ATOM 0 H ALA B 98 12.743 9.744 -1.658 1.00 43.44 H new ATOM 0 HA ALA B 98 10.820 8.091 -2.936 1.00 65.05 H new ATOM 0 HB1 ALA B 98 11.803 6.360 -1.446 1.00 51.41 H new ATOM 0 HB2 ALA B 98 13.061 7.330 -2.248 1.00 51.41 H new ATOM 0 HB3 ALA B 98 12.654 7.636 -0.543 1.00 51.41 H new ATOM 1683 N MET B 99 10.112 9.154 0.091 1.00 61.44 N ATOM 1684 CA MET B 99 9.039 9.336 1.086 1.00 55.34 C ATOM 1685 C MET B 99 7.798 9.974 0.453 1.00 73.21 C ATOM 1686 O MET B 99 6.674 9.606 0.783 1.00 70.31 O ATOM 1687 CB MET B 99 9.570 10.181 2.273 1.00 30.20 C ATOM 1688 CG MET B 99 8.524 10.568 3.347 1.00 45.13 C ATOM 1689 SD MET B 99 7.571 12.046 2.914 1.00 41.40 S ATOM 1690 CE MET B 99 8.849 13.305 2.861 1.00 61.32 C ATOM 0 H MET B 99 10.946 9.706 0.291 1.00 61.44 H new ATOM 0 HA MET B 99 8.736 8.359 1.462 1.00 55.34 H new ATOM 0 HB2 MET B 99 10.373 9.626 2.758 1.00 30.20 H new ATOM 0 HB3 MET B 99 10.010 11.096 1.875 1.00 30.20 H new ATOM 0 HG2 MET B 99 7.840 9.733 3.496 1.00 45.13 H new ATOM 0 HG3 MET B 99 9.033 10.737 4.296 1.00 45.13 H new ATOM 0 HE1 MET B 99 8.454 14.241 3.255 1.00 61.32 H new ATOM 0 HE2 MET B 99 9.699 12.987 3.465 1.00 61.32 H new ATOM 0 HE3 MET B 99 9.172 13.453 1.830 1.00 61.32 H new ATOM 1700 N GLU B 100 8.032 10.921 -0.467 1.00 60.13 N ATOM 1701 CA GLU B 100 6.970 11.583 -1.241 1.00 62.05 C ATOM 1702 C GLU B 100 6.266 10.567 -2.162 1.00 53.44 C ATOM 1703 O GLU B 100 5.050 10.574 -2.274 1.00 63.34 O ATOM 1704 CB GLU B 100 7.568 12.747 -2.069 1.00 53.45 C ATOM 1705 CG GLU B 100 6.531 13.533 -2.892 1.00 73.12 C ATOM 1706 CD GLU B 100 7.153 14.668 -3.715 1.00 0.14 C ATOM 1707 OE1 GLU B 100 7.473 15.723 -3.134 1.00 3.32 O ATOM 1708 OE2 GLU B 100 7.321 14.508 -4.944 1.00 35.15 O ATOM 0 H GLU B 100 8.969 11.252 -0.697 1.00 60.13 H new ATOM 0 HA GLU B 100 6.230 11.989 -0.552 1.00 62.05 H new ATOM 0 HB2 GLU B 100 8.076 13.435 -1.394 1.00 53.45 H new ATOM 0 HB3 GLU B 100 8.324 12.347 -2.745 1.00 53.45 H new ATOM 0 HG2 GLU B 100 6.013 12.848 -3.563 1.00 73.12 H new ATOM 0 HG3 GLU B 100 5.781 13.949 -2.219 1.00 73.12 H new ATOM 1715 N ARG B 101 7.073 9.686 -2.779 1.00 11.44 N ATOM 1716 CA ARG B 101 6.603 8.611 -3.676 1.00 60.35 C ATOM 1717 C ARG B 101 5.831 7.528 -2.890 1.00 10.13 C ATOM 1718 O ARG B 101 4.864 6.946 -3.392 1.00 73.32 O ATOM 1719 CB ARG B 101 7.836 8.003 -4.396 1.00 40.12 C ATOM 1720 CG ARG B 101 8.510 8.960 -5.418 1.00 61.34 C ATOM 1721 CD ARG B 101 9.966 8.580 -5.759 1.00 4.30 C ATOM 1722 NE ARG B 101 10.115 7.181 -6.189 1.00 64.31 N ATOM 1723 CZ ARG B 101 11.044 6.715 -7.033 1.00 64.11 C ATOM 1724 NH1 ARG B 101 11.953 7.519 -7.589 1.00 74.44 N ATOM 1725 NH2 ARG B 101 11.081 5.421 -7.286 1.00 41.32 N ATOM 0 H ARG B 101 8.087 9.700 -2.668 1.00 11.44 H new ATOM 0 HA ARG B 101 5.912 9.022 -4.411 1.00 60.35 H new ATOM 0 HB2 ARG B 101 8.573 7.711 -3.648 1.00 40.12 H new ATOM 0 HB3 ARG B 101 7.529 7.094 -4.913 1.00 40.12 H new ATOM 0 HG2 ARG B 101 7.922 8.969 -6.336 1.00 61.34 H new ATOM 0 HG3 ARG B 101 8.493 9.974 -5.018 1.00 61.34 H new ATOM 0 HD2 ARG B 101 10.330 9.237 -6.549 1.00 4.30 H new ATOM 0 HD3 ARG B 101 10.594 8.753 -4.885 1.00 4.30 H new ATOM 0 HE ARG B 101 9.451 6.506 -5.810 1.00 64.31 H new ATOM 0 HH11 ARG B 101 11.951 8.516 -7.374 1.00 74.44 H new ATOM 0 HH12 ARG B 101 12.649 7.136 -8.229 1.00 74.44 H new ATOM 0 HH21 ARG B 101 10.409 4.795 -6.842 1.00 41.32 H new ATOM 0 HH22 ARG B 101 11.781 5.046 -7.926 1.00 41.32 H new ATOM 1739 N LEU B 102 6.266 7.310 -1.639 1.00 65.35 N ATOM 1740 CA LEU B 102 5.684 6.327 -0.714 1.00 31.02 C ATOM 1741 C LEU B 102 4.299 6.807 -0.228 1.00 63.32 C ATOM 1742 O LEU B 102 3.314 6.069 -0.331 1.00 65.25 O ATOM 1743 CB LEU B 102 6.671 6.122 0.471 1.00 42.54 C ATOM 1744 CG LEU B 102 6.310 5.041 1.537 1.00 34.02 C ATOM 1745 CD1 LEU B 102 6.126 3.649 0.918 1.00 40.21 C ATOM 1746 CD2 LEU B 102 7.377 5.001 2.638 1.00 64.42 C ATOM 0 H LEU B 102 7.049 7.824 -1.235 1.00 65.35 H new ATOM 0 HA LEU B 102 5.534 5.372 -1.218 1.00 31.02 H new ATOM 0 HB2 LEU B 102 7.647 5.870 0.055 1.00 42.54 H new ATOM 0 HB3 LEU B 102 6.780 7.077 0.985 1.00 42.54 H new ATOM 0 HG LEU B 102 5.353 5.326 1.974 1.00 34.02 H new ATOM 0 HD11 LEU B 102 5.876 2.933 1.701 1.00 40.21 H new ATOM 0 HD12 LEU B 102 5.320 3.681 0.184 1.00 40.21 H new ATOM 0 HD13 LEU B 102 7.051 3.343 0.428 1.00 40.21 H new ATOM 0 HD21 LEU B 102 7.112 4.242 3.374 1.00 64.42 H new ATOM 0 HD22 LEU B 102 8.344 4.758 2.199 1.00 64.42 H new ATOM 0 HD23 LEU B 102 7.434 5.975 3.125 1.00 64.42 H new ATOM 1758 N LYS B 103 4.240 8.071 0.261 1.00 30.32 N ATOM 1759 CA LYS B 103 2.987 8.732 0.690 1.00 61.42 C ATOM 1760 C LYS B 103 1.992 8.833 -0.471 1.00 54.21 C ATOM 1761 O LYS B 103 0.825 8.485 -0.314 1.00 3.41 O ATOM 1762 CB LYS B 103 3.272 10.151 1.271 1.00 74.03 C ATOM 1763 CG LYS B 103 4.016 10.140 2.626 1.00 33.25 C ATOM 1764 CD LYS B 103 4.261 11.549 3.216 1.00 72.45 C ATOM 1765 CE LYS B 103 2.977 12.375 3.408 1.00 10.41 C ATOM 1766 NZ LYS B 103 1.961 11.673 4.241 1.00 31.05 N ATOM 0 H LYS B 103 5.065 8.661 0.368 1.00 30.32 H new ATOM 0 HA LYS B 103 2.546 8.117 1.474 1.00 61.42 H new ATOM 0 HB2 LYS B 103 3.862 10.716 0.549 1.00 74.03 H new ATOM 0 HB3 LYS B 103 2.326 10.679 1.392 1.00 74.03 H new ATOM 0 HG2 LYS B 103 3.440 9.552 3.341 1.00 33.25 H new ATOM 0 HG3 LYS B 103 4.975 9.638 2.499 1.00 33.25 H new ATOM 0 HD2 LYS B 103 4.763 11.447 4.178 1.00 72.45 H new ATOM 0 HD3 LYS B 103 4.938 12.095 2.559 1.00 72.45 H new ATOM 0 HE2 LYS B 103 3.229 13.327 3.875 1.00 10.41 H new ATOM 0 HE3 LYS B 103 2.547 12.602 2.433 1.00 10.41 H new ATOM 0 HZ1 LYS B 103 1.138 12.293 4.381 1.00 31.05 H new ATOM 0 HZ2 LYS B 103 1.660 10.801 3.760 1.00 31.05 H new ATOM 0 HZ3 LYS B 103 2.375 11.434 5.165 1.00 31.05 H new ATOM 1780 N ARG B 104 2.488 9.281 -1.639 1.00 61.54 N ATOM 1781 CA ARG B 104 1.694 9.390 -2.883 1.00 3.25 C ATOM 1782 C ARG B 104 1.078 8.041 -3.261 1.00 52.31 C ATOM 1783 O ARG B 104 -0.033 7.982 -3.804 1.00 14.44 O ATOM 1784 CB ARG B 104 2.605 9.886 -4.028 1.00 15.02 C ATOM 1785 CG ARG B 104 1.931 9.992 -5.409 1.00 44.21 C ATOM 1786 CD ARG B 104 2.914 10.437 -6.498 1.00 1.41 C ATOM 1787 NE ARG B 104 2.271 10.589 -7.811 1.00 41.33 N ATOM 1788 CZ ARG B 104 2.814 11.229 -8.860 1.00 71.45 C ATOM 1789 NH1 ARG B 104 4.018 11.795 -8.766 1.00 21.42 N ATOM 1790 NH2 ARG B 104 2.148 11.303 -9.999 1.00 15.43 N ATOM 0 H ARG B 104 3.457 9.580 -1.750 1.00 61.54 H new ATOM 0 HA ARG B 104 0.884 10.100 -2.718 1.00 3.25 H new ATOM 0 HB2 ARG B 104 2.998 10.866 -3.758 1.00 15.02 H new ATOM 0 HB3 ARG B 104 3.458 9.212 -4.109 1.00 15.02 H new ATOM 0 HG2 ARG B 104 1.505 9.026 -5.679 1.00 44.21 H new ATOM 0 HG3 ARG B 104 1.105 10.701 -5.355 1.00 44.21 H new ATOM 0 HD2 ARG B 104 3.368 11.385 -6.208 1.00 1.41 H new ATOM 0 HD3 ARG B 104 3.720 9.708 -6.575 1.00 1.41 H new ATOM 0 HE ARG B 104 1.345 10.179 -7.935 1.00 41.33 H new ATOM 0 HH11 ARG B 104 4.538 11.745 -7.890 1.00 21.42 H new ATOM 0 HH12 ARG B 104 4.419 12.278 -9.570 1.00 21.42 H new ATOM 0 HH21 ARG B 104 1.226 10.875 -10.079 1.00 15.43 H new ATOM 0 HH22 ARG B 104 2.556 11.788 -10.798 1.00 15.43 H new ATOM 1804 N GLY B 105 1.830 6.968 -2.962 1.00 15.22 N ATOM 1805 CA GLY B 105 1.356 5.617 -3.150 1.00 15.15 C ATOM 1806 C GLY B 105 0.135 5.306 -2.312 1.00 34.32 C ATOM 1807 O GLY B 105 -0.768 4.646 -2.787 1.00 20.23 O ATOM 0 H GLY B 105 2.776 7.029 -2.586 1.00 15.22 H new ATOM 0 HA2 GLY B 105 1.118 5.463 -4.203 1.00 15.15 H new ATOM 0 HA3 GLY B 105 2.153 4.918 -2.897 1.00 15.15 H new ATOM 1811 N ILE B 106 0.110 5.798 -1.063 1.00 22.15 N ATOM 1812 CA ILE B 106 -1.052 5.648 -0.174 1.00 43.04 C ATOM 1813 C ILE B 106 -2.242 6.474 -0.690 1.00 11.24 C ATOM 1814 O ILE B 106 -3.351 5.999 -0.633 1.00 42.43 O ATOM 1815 CB ILE B 106 -0.696 6.010 1.333 1.00 34.42 C ATOM 1816 CG1 ILE B 106 0.008 4.814 2.053 1.00 44.11 C ATOM 1817 CG2 ILE B 106 -1.935 6.465 2.158 1.00 73.13 C ATOM 1818 CD1 ILE B 106 1.284 4.302 1.424 1.00 24.30 C ATOM 0 H ILE B 106 0.888 6.307 -0.644 1.00 22.15 H new ATOM 0 HA ILE B 106 -1.343 4.598 -0.183 1.00 43.04 H new ATOM 0 HB ILE B 106 -0.009 6.855 1.281 1.00 34.42 H new ATOM 0 HG12 ILE B 106 0.230 5.115 3.077 1.00 44.11 H new ATOM 0 HG13 ILE B 106 -0.699 3.987 2.110 1.00 44.11 H new ATOM 0 HG21 ILE B 106 -1.628 6.698 3.178 1.00 73.13 H new ATOM 0 HG22 ILE B 106 -2.372 7.352 1.699 1.00 73.13 H new ATOM 0 HG23 ILE B 106 -2.674 5.664 2.176 1.00 73.13 H new ATOM 0 HD11 ILE B 106 1.675 3.474 2.016 1.00 24.30 H new ATOM 0 HD12 ILE B 106 1.078 3.958 0.410 1.00 24.30 H new ATOM 0 HD13 ILE B 106 2.021 5.104 1.392 1.00 24.30 H new ATOM 1830 N ILE B 107 -1.996 7.699 -1.209 1.00 22.01 N ATOM 1831 CA ILE B 107 -3.068 8.536 -1.807 1.00 21.11 C ATOM 1832 C ILE B 107 -3.730 7.770 -2.979 1.00 44.23 C ATOM 1833 O ILE B 107 -4.958 7.663 -3.062 1.00 64.44 O ATOM 1834 CB ILE B 107 -2.523 9.954 -2.290 1.00 4.32 C ATOM 1835 CG1 ILE B 107 -2.374 10.968 -1.096 1.00 13.50 C ATOM 1836 CG2 ILE B 107 -3.415 10.574 -3.402 1.00 20.30 C ATOM 1837 CD1 ILE B 107 -1.317 10.624 -0.064 1.00 13.24 C ATOM 0 H ILE B 107 -1.072 8.130 -1.227 1.00 22.01 H new ATOM 0 HA ILE B 107 -3.813 8.733 -1.037 1.00 21.11 H new ATOM 0 HB ILE B 107 -1.533 9.769 -2.708 1.00 4.32 H new ATOM 0 HG12 ILE B 107 -2.147 11.952 -1.506 1.00 13.50 H new ATOM 0 HG13 ILE B 107 -3.336 11.048 -0.590 1.00 13.50 H new ATOM 0 HG21 ILE B 107 -3.006 11.539 -3.700 1.00 20.30 H new ATOM 0 HG22 ILE B 107 -3.438 9.907 -4.264 1.00 20.30 H new ATOM 0 HG23 ILE B 107 -4.428 10.711 -3.022 1.00 20.30 H new ATOM 0 HD11 ILE B 107 -1.302 11.390 0.711 1.00 13.24 H new ATOM 0 HD12 ILE B 107 -1.548 9.658 0.385 1.00 13.24 H new ATOM 0 HD13 ILE B 107 -0.340 10.576 -0.546 1.00 13.24 H new ATOM 1849 N HIS B 108 -2.873 7.195 -3.837 1.00 30.12 N ATOM 1850 CA HIS B 108 -3.305 6.472 -5.032 1.00 32.42 C ATOM 1851 C HIS B 108 -4.016 5.160 -4.641 1.00 24.25 C ATOM 1852 O HIS B 108 -5.099 4.883 -5.130 1.00 23.31 O ATOM 1853 CB HIS B 108 -2.097 6.213 -5.973 1.00 12.35 C ATOM 1854 CG HIS B 108 -2.461 5.705 -7.348 1.00 72.22 C ATOM 1855 ND1 HIS B 108 -1.577 5.019 -8.150 1.00 34.33 N ATOM 1856 CD2 HIS B 108 -3.607 5.790 -8.066 1.00 53.40 C ATOM 1857 CE1 HIS B 108 -2.162 4.694 -9.280 1.00 63.53 C ATOM 1858 NE2 HIS B 108 -3.389 5.151 -9.253 1.00 13.04 N ATOM 0 H HIS B 108 -1.860 7.221 -3.717 1.00 30.12 H new ATOM 0 HA HIS B 108 -4.023 7.085 -5.577 1.00 32.42 H new ATOM 0 HB2 HIS B 108 -1.534 7.140 -6.081 1.00 12.35 H new ATOM 0 HB3 HIS B 108 -1.433 5.490 -5.498 1.00 12.35 H new ATOM 0 HD2 HIS B 108 -4.522 6.273 -7.757 1.00 53.40 H new ATOM 0 HE1 HIS B 108 -1.709 4.144 -10.092 1.00 63.53 H new ATOM 0 HE2 HIS B 108 -4.074 5.046 -10.001 1.00 13.04 H new ATOM 1867 N ALA B 109 -3.429 4.409 -3.698 1.00 30.44 N ATOM 1868 CA ALA B 109 -3.932 3.082 -3.289 1.00 53.33 C ATOM 1869 C ALA B 109 -5.251 3.195 -2.501 1.00 70.20 C ATOM 1870 O ALA B 109 -6.163 2.392 -2.695 1.00 21.34 O ATOM 1871 CB ALA B 109 -2.865 2.353 -2.467 1.00 52.00 C ATOM 0 H ALA B 109 -2.591 4.701 -3.195 1.00 30.44 H new ATOM 0 HA ALA B 109 -4.143 2.504 -4.188 1.00 53.33 H new ATOM 0 HB1 ALA B 109 -3.241 1.375 -2.168 1.00 52.00 H new ATOM 0 HB2 ALA B 109 -1.965 2.227 -3.069 1.00 52.00 H new ATOM 0 HB3 ALA B 109 -2.628 2.938 -1.578 1.00 52.00 H new ATOM 1877 N ARG B 110 -5.331 4.222 -1.633 1.00 3.41 N ATOM 1878 CA ARG B 110 -6.560 4.572 -0.886 1.00 63.21 C ATOM 1879 C ARG B 110 -7.706 4.890 -1.871 1.00 35.32 C ATOM 1880 O ARG B 110 -8.853 4.498 -1.646 1.00 30.15 O ATOM 1881 CB ARG B 110 -6.309 5.803 0.060 1.00 63.14 C ATOM 1882 CG ARG B 110 -5.903 5.475 1.515 1.00 23.21 C ATOM 1883 CD ARG B 110 -7.023 4.750 2.284 1.00 34.23 C ATOM 1884 NE ARG B 110 -6.835 4.790 3.740 1.00 43.32 N ATOM 1885 CZ ARG B 110 -7.792 4.531 4.654 1.00 21.40 C ATOM 1886 NH1 ARG B 110 -9.036 4.187 4.290 1.00 14.01 N ATOM 1887 NH2 ARG B 110 -7.515 4.670 5.938 1.00 65.44 N ATOM 0 H ARG B 110 -4.543 4.836 -1.428 1.00 3.41 H new ATOM 0 HA ARG B 110 -6.842 3.717 -0.271 1.00 63.21 H new ATOM 0 HB2 ARG B 110 -5.528 6.421 -0.382 1.00 63.14 H new ATOM 0 HB3 ARG B 110 -7.217 6.406 0.085 1.00 63.14 H new ATOM 0 HG2 ARG B 110 -5.008 4.853 1.509 1.00 23.21 H new ATOM 0 HG3 ARG B 110 -5.646 6.398 2.035 1.00 23.21 H new ATOM 0 HD2 ARG B 110 -7.982 5.205 2.034 1.00 34.23 H new ATOM 0 HD3 ARG B 110 -7.068 3.711 1.957 1.00 34.23 H new ATOM 0 HE ARG B 110 -5.907 5.033 4.087 1.00 43.32 H new ATOM 0 HH11 ARG B 110 -9.277 4.116 3.301 1.00 14.01 H new ATOM 0 HH12 ARG B 110 -9.741 3.996 5.002 1.00 14.01 H new ATOM 0 HH21 ARG B 110 -6.585 4.971 6.229 1.00 65.44 H new ATOM 0 HH22 ARG B 110 -8.231 4.477 6.638 1.00 65.44 H new ATOM 1901 N ALA B 111 -7.356 5.592 -2.970 1.00 32.04 N ATOM 1902 CA ALA B 111 -8.298 5.951 -4.036 1.00 32.32 C ATOM 1903 C ALA B 111 -8.812 4.695 -4.766 1.00 13.23 C ATOM 1904 O ALA B 111 -10.021 4.498 -4.876 1.00 15.10 O ATOM 1905 CB ALA B 111 -7.625 6.919 -5.022 1.00 31.01 C ATOM 0 H ALA B 111 -6.406 5.924 -3.137 1.00 32.04 H new ATOM 0 HA ALA B 111 -9.159 6.447 -3.588 1.00 32.32 H new ATOM 0 HB1 ALA B 111 -8.329 7.182 -5.811 1.00 31.01 H new ATOM 0 HB2 ALA B 111 -7.318 7.822 -4.494 1.00 31.01 H new ATOM 0 HB3 ALA B 111 -6.750 6.441 -5.461 1.00 31.01 H new ATOM 1911 N LEU B 112 -7.861 3.827 -5.176 1.00 21.13 N ATOM 1912 CA LEU B 112 -8.126 2.651 -6.039 1.00 30.13 C ATOM 1913 C LEU B 112 -9.049 1.625 -5.358 1.00 22.02 C ATOM 1914 O LEU B 112 -9.969 1.104 -5.991 1.00 12.20 O ATOM 1915 CB LEU B 112 -6.786 1.982 -6.461 1.00 65.45 C ATOM 1916 CG LEU B 112 -5.839 2.865 -7.338 1.00 35.31 C ATOM 1917 CD1 LEU B 112 -4.483 2.177 -7.562 1.00 12.03 C ATOM 1918 CD2 LEU B 112 -6.495 3.258 -8.676 1.00 74.13 C ATOM 0 H LEU B 112 -6.879 3.922 -4.916 1.00 21.13 H new ATOM 0 HA LEU B 112 -8.645 3.009 -6.928 1.00 30.13 H new ATOM 0 HB2 LEU B 112 -6.248 1.687 -5.560 1.00 65.45 H new ATOM 0 HB3 LEU B 112 -7.013 1.068 -7.010 1.00 65.45 H new ATOM 0 HG LEU B 112 -5.658 3.787 -6.786 1.00 35.31 H new ATOM 0 HD11 LEU B 112 -3.848 2.816 -8.175 1.00 12.03 H new ATOM 0 HD12 LEU B 112 -4.001 2.001 -6.600 1.00 12.03 H new ATOM 0 HD13 LEU B 112 -4.638 1.225 -8.070 1.00 12.03 H new ATOM 0 HD21 LEU B 112 -5.803 3.871 -9.254 1.00 74.13 H new ATOM 0 HD22 LEU B 112 -6.740 2.358 -9.239 1.00 74.13 H new ATOM 0 HD23 LEU B 112 -7.406 3.824 -8.482 1.00 74.13 H new ATOM 1930 N VAL B 113 -8.807 1.359 -4.060 1.00 44.01 N ATOM 1931 CA VAL B 113 -9.633 0.420 -3.283 1.00 74.33 C ATOM 1932 C VAL B 113 -11.038 1.019 -3.042 1.00 14.03 C ATOM 1933 O VAL B 113 -12.050 0.350 -3.283 1.00 31.51 O ATOM 1934 CB VAL B 113 -8.989 0.042 -1.894 1.00 0.04 C ATOM 1935 CG1 VAL B 113 -9.848 -1.005 -1.143 1.00 23.33 C ATOM 1936 CG2 VAL B 113 -7.533 -0.451 -2.042 1.00 61.03 C ATOM 0 H VAL B 113 -8.046 1.782 -3.529 1.00 44.01 H new ATOM 0 HA VAL B 113 -9.704 -0.493 -3.874 1.00 74.33 H new ATOM 0 HB VAL B 113 -8.965 0.955 -1.300 1.00 0.04 H new ATOM 0 HG11 VAL B 113 -9.378 -1.245 -0.189 1.00 23.33 H new ATOM 0 HG12 VAL B 113 -10.843 -0.598 -0.965 1.00 23.33 H new ATOM 0 HG13 VAL B 113 -9.928 -1.910 -1.746 1.00 23.33 H new ATOM 0 HG21 VAL B 113 -7.131 -0.699 -1.060 1.00 61.03 H new ATOM 0 HG22 VAL B 113 -7.511 -1.336 -2.677 1.00 61.03 H new ATOM 0 HG23 VAL B 113 -6.927 0.334 -2.494 1.00 61.03 H new ATOM 1946 N ARG B 114 -11.074 2.304 -2.611 1.00 13.32 N ATOM 1947 CA ARG B 114 -12.317 2.972 -2.157 1.00 32.42 C ATOM 1948 C ARG B 114 -13.333 3.081 -3.313 1.00 42.04 C ATOM 1949 O ARG B 114 -14.510 2.750 -3.135 1.00 41.30 O ATOM 1950 CB ARG B 114 -11.993 4.370 -1.533 1.00 31.23 C ATOM 1951 CG ARG B 114 -13.035 4.931 -0.509 1.00 32.31 C ATOM 1952 CD ARG B 114 -14.356 5.428 -1.136 1.00 54.04 C ATOM 1953 NE ARG B 114 -15.261 6.020 -0.137 1.00 73.33 N ATOM 1954 CZ ARG B 114 -16.268 6.870 -0.405 1.00 54.12 C ATOM 1955 NH1 ARG B 114 -16.534 7.257 -1.656 1.00 63.55 N ATOM 1956 NH2 ARG B 114 -17.003 7.337 0.591 1.00 32.31 N ATOM 0 H ARG B 114 -10.249 2.902 -2.569 1.00 13.32 H new ATOM 0 HA ARG B 114 -12.776 2.363 -1.378 1.00 32.42 H new ATOM 0 HB2 ARG B 114 -11.025 4.307 -1.036 1.00 31.23 H new ATOM 0 HB3 ARG B 114 -11.888 5.091 -2.344 1.00 31.23 H new ATOM 0 HG2 ARG B 114 -13.265 4.152 0.218 1.00 32.31 H new ATOM 0 HG3 ARG B 114 -12.577 5.754 0.040 1.00 32.31 H new ATOM 0 HD2 ARG B 114 -14.135 6.167 -1.906 1.00 54.04 H new ATOM 0 HD3 ARG B 114 -14.858 4.595 -1.629 1.00 54.04 H new ATOM 0 HE ARG B 114 -15.112 5.764 0.839 1.00 73.33 H new ATOM 0 HH11 ARG B 114 -15.969 6.907 -2.429 1.00 63.55 H new ATOM 0 HH12 ARG B 114 -17.303 7.903 -1.838 1.00 63.55 H new ATOM 0 HH21 ARG B 114 -16.803 7.052 1.550 1.00 32.31 H new ATOM 0 HH22 ARG B 114 -17.770 7.982 0.400 1.00 32.31 H new ATOM 1970 N GLU B 115 -12.860 3.529 -4.490 1.00 52.34 N ATOM 1971 CA GLU B 115 -13.717 3.692 -5.685 1.00 65.45 C ATOM 1972 C GLU B 115 -14.291 2.338 -6.155 1.00 1.10 C ATOM 1973 O GLU B 115 -15.439 2.262 -6.590 1.00 61.44 O ATOM 1974 CB GLU B 115 -12.940 4.397 -6.837 1.00 44.22 C ATOM 1975 CG GLU B 115 -11.740 3.609 -7.403 1.00 34.32 C ATOM 1976 CD GLU B 115 -10.890 4.430 -8.385 1.00 4.54 C ATOM 1977 OE1 GLU B 115 -10.051 5.224 -7.924 1.00 74.32 O ATOM 1978 OE2 GLU B 115 -11.074 4.305 -9.617 1.00 1.23 O ATOM 0 H GLU B 115 -11.885 3.786 -4.642 1.00 52.34 H new ATOM 0 HA GLU B 115 -14.557 4.328 -5.404 1.00 65.45 H new ATOM 0 HB2 GLU B 115 -13.636 4.601 -7.651 1.00 44.22 H new ATOM 0 HB3 GLU B 115 -12.582 5.361 -6.475 1.00 44.22 H new ATOM 0 HG2 GLU B 115 -11.111 3.275 -6.578 1.00 34.32 H new ATOM 0 HG3 GLU B 115 -12.106 2.715 -7.908 1.00 34.32 H new ATOM 1985 N CYS B 116 -13.495 1.261 -6.005 1.00 1.25 N ATOM 1986 CA CYS B 116 -13.885 -0.082 -6.459 1.00 63.11 C ATOM 1987 C CYS B 116 -14.798 -0.799 -5.436 1.00 24.22 C ATOM 1988 O CYS B 116 -15.521 -1.705 -5.828 1.00 30.23 O ATOM 1989 CB CYS B 116 -12.637 -0.920 -6.777 1.00 53.10 C ATOM 1990 SG CYS B 116 -11.625 -0.250 -8.113 1.00 62.45 S ATOM 0 H CYS B 116 -12.573 1.299 -5.570 1.00 1.25 H new ATOM 0 HA CYS B 116 -14.469 0.032 -7.372 1.00 63.11 H new ATOM 0 HB2 CYS B 116 -12.027 -1.000 -5.877 1.00 53.10 H new ATOM 0 HB3 CYS B 116 -12.948 -1.930 -7.042 1.00 53.10 H new ATOM 0 HG CYS B 116 -10.716 0.536 -7.617 1.00 62.45 H new ATOM 1996 N LEU B 117 -14.769 -0.369 -4.135 1.00 65.43 N ATOM 1997 CA LEU B 117 -15.673 -0.903 -3.060 1.00 0.23 C ATOM 1998 C LEU B 117 -17.145 -0.904 -3.514 1.00 71.14 C ATOM 1999 O LEU B 117 -17.891 -1.850 -3.228 1.00 72.10 O ATOM 2000 CB LEU B 117 -15.548 -0.065 -1.743 1.00 63.52 C ATOM 2001 CG LEU B 117 -14.277 -0.304 -0.865 1.00 23.43 C ATOM 2002 CD1 LEU B 117 -14.174 0.758 0.249 1.00 52.12 C ATOM 2003 CD2 LEU B 117 -14.278 -1.724 -0.258 1.00 10.32 C ATOM 0 H LEU B 117 -14.126 0.350 -3.804 1.00 65.43 H new ATOM 0 HA LEU B 117 -15.357 -1.928 -2.865 1.00 0.23 H new ATOM 0 HB2 LEU B 117 -15.581 0.991 -2.010 1.00 63.52 H new ATOM 0 HB3 LEU B 117 -16.426 -0.266 -1.129 1.00 63.52 H new ATOM 0 HG LEU B 117 -13.404 -0.213 -1.512 1.00 23.43 H new ATOM 0 HD11 LEU B 117 -13.282 0.572 0.848 1.00 52.12 H new ATOM 0 HD12 LEU B 117 -14.110 1.750 -0.199 1.00 52.12 H new ATOM 0 HD13 LEU B 117 -15.057 0.704 0.886 1.00 52.12 H new ATOM 0 HD21 LEU B 117 -13.382 -1.861 0.348 1.00 10.32 H new ATOM 0 HD22 LEU B 117 -15.162 -1.852 0.367 1.00 10.32 H new ATOM 0 HD23 LEU B 117 -14.291 -2.462 -1.060 1.00 10.32 H new