USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=22 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 Set 1.1: A 84 MET CE :methyl 172:sc= -1.88 (180deg=-1.92!) USER MOD Set 1.2: B 84 MET CE :methyl -178:sc= -0.974 (180deg=-1.05) USER MOD Single : A 75 THR OG1 : rot 31:sc= 0.261 USER MOD Single : A 79 SER OG : rot 7:sc= 1.01 USER MOD Single : A 86 LYS NZ :NH3+ 135:sc= 0.993 (180deg=-0.17) USER MOD Single : A 91 THR OG1 : rot 90:sc= 0.911 USER MOD Single : A 92 TYR OH : rot -43:sc= 0.109 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 147:sc= -0.874 (180deg=-2.75!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -136:sc= -0.332 (180deg=-1.37) USER MOD Single : A 103 LYS NZ :NH3+ 179:sc= -0.4! (180deg=-0.52!) USER MOD Single : A 108 HIS : no HD1:sc= -0.219 X(o=-0.22,f=-0.01) USER MOD Single : B 75 THR OG1 : rot 32:sc= 0.0781 USER MOD Single : B 79 SER OG : rot 72:sc= 1.01 USER MOD Single : B 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 91 THR OG1 : rot 100:sc= 0.887 USER MOD Single : B 92 TYR OH : rot 180:sc= -0.838 USER MOD Single : B 95 SER OG : rot 180:sc= 0 USER MOD Single : B 96 LYS NZ :NH3+ 154:sc= -0.517 (180deg=-1.92!) USER MOD Single : B 97 SER OG : rot 180:sc= 0 USER MOD Single : B 99 MET CE :methyl -144:sc= -0.389 (180deg=-1.41!) USER MOD Single : B 103 LYS NZ :NH3+ -115:sc= -1.89! (180deg=-2.6!) USER MOD Single : B 108 HIS : no HD1:sc= -0.268 X(o=-0.27,f=-0.32) USER MOD Single : B 116 CYS SG : rot -28:sc= 0.0649 USER MOD ----------------------------------------------------------------- ATOM 241 N THR A 75 -11.674 -5.004 1.279 1.00 71.04 N ATOM 242 CA THR A 75 -12.115 -3.945 2.197 1.00 3.34 C ATOM 243 C THR A 75 -11.085 -3.755 3.343 1.00 71.21 C ATOM 244 O THR A 75 -10.840 -2.629 3.798 1.00 24.25 O ATOM 245 CB THR A 75 -13.535 -4.290 2.752 1.00 60.25 C ATOM 246 OG1 THR A 75 -14.403 -4.674 1.666 1.00 65.35 O ATOM 247 CG2 THR A 75 -14.177 -3.117 3.500 1.00 24.42 C ATOM 0 HA THR A 75 -12.179 -3.000 1.657 1.00 3.34 H new ATOM 0 HB THR A 75 -13.407 -5.110 3.458 1.00 60.25 H new ATOM 0 HG1 THR A 75 -13.874 -5.097 0.958 1.00 65.35 H new ATOM 0 HG21 THR A 75 -15.161 -3.412 3.864 1.00 24.42 H new ATOM 0 HG22 THR A 75 -13.548 -2.836 4.344 1.00 24.42 H new ATOM 0 HG23 THR A 75 -14.280 -2.267 2.825 1.00 24.42 H new ATOM 255 N ASP A 76 -10.498 -4.889 3.795 1.00 1.01 N ATOM 256 CA ASP A 76 -9.355 -4.912 4.736 1.00 11.04 C ATOM 257 C ASP A 76 -8.158 -4.148 4.149 1.00 41.42 C ATOM 258 O ASP A 76 -7.463 -3.417 4.861 1.00 24.04 O ATOM 259 CB ASP A 76 -8.953 -6.375 5.064 1.00 70.12 C ATOM 260 CG ASP A 76 -7.861 -6.476 6.148 1.00 34.05 C ATOM 261 OD1 ASP A 76 -8.201 -6.494 7.345 1.00 31.51 O ATOM 262 OD2 ASP A 76 -6.663 -6.532 5.814 1.00 55.21 O ATOM 0 H ASP A 76 -10.807 -5.819 3.514 1.00 1.01 H new ATOM 0 HA ASP A 76 -9.660 -4.420 5.660 1.00 11.04 H new ATOM 0 HB2 ASP A 76 -9.836 -6.922 5.395 1.00 70.12 H new ATOM 0 HB3 ASP A 76 -8.599 -6.860 4.154 1.00 70.12 H new ATOM 267 N LEU A 77 -7.967 -4.315 2.825 1.00 63.14 N ATOM 268 CA LEU A 77 -6.899 -3.651 2.064 1.00 52.42 C ATOM 269 C LEU A 77 -6.987 -2.114 2.180 1.00 71.05 C ATOM 270 O LEU A 77 -5.960 -1.459 2.292 1.00 32.12 O ATOM 271 CB LEU A 77 -6.944 -4.095 0.579 1.00 32.12 C ATOM 272 CG LEU A 77 -5.869 -3.473 -0.367 1.00 60.34 C ATOM 273 CD1 LEU A 77 -4.437 -3.809 0.093 1.00 74.25 C ATOM 274 CD2 LEU A 77 -6.105 -3.912 -1.820 1.00 31.13 C ATOM 0 H LEU A 77 -8.556 -4.920 2.253 1.00 63.14 H new ATOM 0 HA LEU A 77 -5.944 -3.954 2.493 1.00 52.42 H new ATOM 0 HB2 LEU A 77 -6.843 -5.180 0.544 1.00 32.12 H new ATOM 0 HB3 LEU A 77 -7.930 -3.854 0.181 1.00 32.12 H new ATOM 0 HG LEU A 77 -5.973 -2.389 -0.317 1.00 60.34 H new ATOM 0 HD11 LEU A 77 -3.719 -3.358 -0.592 1.00 74.25 H new ATOM 0 HD12 LEU A 77 -4.276 -3.417 1.097 1.00 74.25 H new ATOM 0 HD13 LEU A 77 -4.301 -4.891 0.100 1.00 74.25 H new ATOM 0 HD21 LEU A 77 -5.345 -3.467 -2.462 1.00 31.13 H new ATOM 0 HD22 LEU A 77 -6.046 -4.998 -1.886 1.00 31.13 H new ATOM 0 HD23 LEU A 77 -7.092 -3.582 -2.144 1.00 31.13 H new ATOM 286 N LEU A 78 -8.220 -1.562 2.191 1.00 51.31 N ATOM 287 CA LEU A 78 -8.457 -0.104 2.341 1.00 65.34 C ATOM 288 C LEU A 78 -7.805 0.450 3.627 1.00 11.13 C ATOM 289 O LEU A 78 -7.138 1.498 3.604 1.00 1.25 O ATOM 290 CB LEU A 78 -9.984 0.188 2.343 1.00 1.45 C ATOM 291 CG LEU A 78 -10.405 1.695 2.363 1.00 14.24 C ATOM 292 CD1 LEU A 78 -9.930 2.433 1.093 1.00 74.01 C ATOM 293 CD2 LEU A 78 -11.924 1.852 2.567 1.00 14.34 C ATOM 0 H LEU A 78 -9.076 -2.108 2.097 1.00 51.31 H new ATOM 0 HA LEU A 78 -7.994 0.400 1.493 1.00 65.34 H new ATOM 0 HB2 LEU A 78 -10.422 -0.277 1.460 1.00 1.45 H new ATOM 0 HB3 LEU A 78 -10.424 -0.301 3.212 1.00 1.45 H new ATOM 0 HG LEU A 78 -9.909 2.159 3.215 1.00 14.24 H new ATOM 0 HD11 LEU A 78 -10.240 3.477 1.141 1.00 74.01 H new ATOM 0 HD12 LEU A 78 -8.843 2.380 1.026 1.00 74.01 H new ATOM 0 HD13 LEU A 78 -10.371 1.964 0.213 1.00 74.01 H new ATOM 0 HD21 LEU A 78 -12.182 2.911 2.576 1.00 14.34 H new ATOM 0 HD22 LEU A 78 -12.454 1.356 1.753 1.00 14.34 H new ATOM 0 HD23 LEU A 78 -12.212 1.400 3.516 1.00 14.34 H new ATOM 305 N SER A 79 -7.986 -0.291 4.735 1.00 73.23 N ATOM 306 CA SER A 79 -7.421 0.074 6.038 1.00 51.24 C ATOM 307 C SER A 79 -5.922 -0.270 6.133 1.00 3.11 C ATOM 308 O SER A 79 -5.201 0.398 6.866 1.00 53.41 O ATOM 309 CB SER A 79 -8.232 -0.578 7.175 1.00 13.31 C ATOM 310 OG SER A 79 -8.380 -1.970 6.988 1.00 52.43 O ATOM 0 H SER A 79 -8.527 -1.156 4.748 1.00 73.23 H new ATOM 0 HA SER A 79 -7.495 1.156 6.146 1.00 51.24 H new ATOM 0 HB2 SER A 79 -7.736 -0.391 8.127 1.00 13.31 H new ATOM 0 HB3 SER A 79 -9.216 -0.113 7.231 1.00 13.31 H new ATOM 0 HG SER A 79 -7.841 -2.256 6.221 1.00 52.43 H new ATOM 316 N VAL A 80 -5.449 -1.286 5.363 1.00 71.31 N ATOM 317 CA VAL A 80 -4.002 -1.617 5.280 1.00 51.24 C ATOM 318 C VAL A 80 -3.234 -0.422 4.704 1.00 44.24 C ATOM 319 O VAL A 80 -2.233 0.018 5.286 1.00 23.23 O ATOM 320 CB VAL A 80 -3.718 -2.899 4.392 1.00 1.22 C ATOM 321 CG1 VAL A 80 -2.207 -3.108 4.116 1.00 53.21 C ATOM 322 CG2 VAL A 80 -4.325 -4.161 5.033 1.00 24.21 C ATOM 0 H VAL A 80 -6.046 -1.887 4.794 1.00 71.31 H new ATOM 0 HA VAL A 80 -3.665 -1.840 6.292 1.00 51.24 H new ATOM 0 HB VAL A 80 -4.201 -2.724 3.431 1.00 1.22 H new ATOM 0 HG11 VAL A 80 -2.069 -3.999 3.504 1.00 53.21 H new ATOM 0 HG12 VAL A 80 -1.810 -2.241 3.589 1.00 53.21 H new ATOM 0 HG13 VAL A 80 -1.678 -3.231 5.061 1.00 53.21 H new ATOM 0 HG21 VAL A 80 -4.115 -5.026 4.403 1.00 24.21 H new ATOM 0 HG22 VAL A 80 -3.886 -4.315 6.019 1.00 24.21 H new ATOM 0 HG23 VAL A 80 -5.403 -4.036 5.131 1.00 24.21 H new ATOM 332 N ILE A 81 -3.754 0.111 3.578 1.00 52.22 N ATOM 333 CA ILE A 81 -3.183 1.280 2.889 1.00 5.33 C ATOM 334 C ILE A 81 -3.044 2.470 3.861 1.00 55.13 C ATOM 335 O ILE A 81 -1.959 3.048 4.000 1.00 52.21 O ATOM 336 CB ILE A 81 -4.057 1.691 1.644 1.00 71.33 C ATOM 337 CG1 ILE A 81 -4.213 0.511 0.635 1.00 30.32 C ATOM 338 CG2 ILE A 81 -3.489 2.933 0.931 1.00 74.41 C ATOM 339 CD1 ILE A 81 -2.915 -0.062 0.080 1.00 41.15 C ATOM 0 H ILE A 81 -4.586 -0.262 3.122 1.00 52.22 H new ATOM 0 HA ILE A 81 -2.191 1.003 2.531 1.00 5.33 H new ATOM 0 HB ILE A 81 -5.045 1.944 2.027 1.00 71.33 H new ATOM 0 HG12 ILE A 81 -4.762 -0.292 1.126 1.00 30.32 H new ATOM 0 HG13 ILE A 81 -4.825 0.851 -0.201 1.00 30.32 H new ATOM 0 HG21 ILE A 81 -4.120 3.184 0.078 1.00 74.41 H new ATOM 0 HG22 ILE A 81 -3.467 3.773 1.625 1.00 74.41 H new ATOM 0 HG23 ILE A 81 -2.477 2.722 0.584 1.00 74.41 H new ATOM 0 HD11 ILE A 81 -3.142 -0.875 -0.610 1.00 41.15 H new ATOM 0 HD12 ILE A 81 -2.369 0.720 -0.448 1.00 41.15 H new ATOM 0 HD13 ILE A 81 -2.305 -0.441 0.900 1.00 41.15 H new ATOM 351 N GLU A 82 -4.142 2.757 4.589 1.00 50.23 N ATOM 352 CA GLU A 82 -4.221 3.890 5.526 1.00 23.33 C ATOM 353 C GLU A 82 -3.215 3.737 6.689 1.00 45.03 C ATOM 354 O GLU A 82 -2.477 4.676 7.012 1.00 51.51 O ATOM 355 CB GLU A 82 -5.673 4.042 6.056 1.00 23.32 C ATOM 356 CG GLU A 82 -5.893 5.258 6.979 1.00 4.42 C ATOM 357 CD GLU A 82 -7.357 5.456 7.395 1.00 32.44 C ATOM 358 OE1 GLU A 82 -8.134 6.015 6.606 1.00 24.35 O ATOM 359 OE2 GLU A 82 -7.740 5.046 8.504 1.00 75.41 O ATOM 0 H GLU A 82 -5.000 2.207 4.542 1.00 50.23 H new ATOM 0 HA GLU A 82 -3.950 4.798 4.987 1.00 23.33 H new ATOM 0 HB2 GLU A 82 -6.350 4.120 5.206 1.00 23.32 H new ATOM 0 HB3 GLU A 82 -5.945 3.136 6.598 1.00 23.32 H new ATOM 0 HG2 GLU A 82 -5.282 5.139 7.874 1.00 4.42 H new ATOM 0 HG3 GLU A 82 -5.543 6.157 6.471 1.00 4.42 H new ATOM 366 N GLU A 83 -3.163 2.525 7.259 1.00 72.10 N ATOM 367 CA GLU A 83 -2.333 2.216 8.441 1.00 71.20 C ATOM 368 C GLU A 83 -0.834 2.114 8.112 1.00 13.42 C ATOM 369 O GLU A 83 0.002 2.164 9.015 1.00 71.34 O ATOM 370 CB GLU A 83 -2.837 0.934 9.139 1.00 23.13 C ATOM 371 CG GLU A 83 -4.240 1.065 9.774 1.00 32.03 C ATOM 372 CD GLU A 83 -4.316 2.104 10.908 1.00 53.02 C ATOM 373 OE1 GLU A 83 -4.068 1.735 12.076 1.00 21.21 O ATOM 374 OE2 GLU A 83 -4.616 3.293 10.640 1.00 22.32 O ATOM 0 H GLU A 83 -3.696 1.726 6.915 1.00 72.10 H new ATOM 0 HA GLU A 83 -2.438 3.056 9.128 1.00 71.20 H new ATOM 0 HB2 GLU A 83 -2.854 0.122 8.412 1.00 23.13 H new ATOM 0 HB3 GLU A 83 -2.125 0.653 9.915 1.00 23.13 H new ATOM 0 HG2 GLU A 83 -4.956 1.336 8.998 1.00 32.03 H new ATOM 0 HG3 GLU A 83 -4.544 0.093 10.163 1.00 32.03 H new ATOM 381 N MET A 84 -0.486 1.925 6.833 1.00 12.24 N ATOM 382 CA MET A 84 0.916 2.041 6.394 1.00 40.44 C ATOM 383 C MET A 84 1.330 3.531 6.372 1.00 75.44 C ATOM 384 O MET A 84 2.473 3.871 6.688 1.00 3.24 O ATOM 385 CB MET A 84 1.126 1.364 5.010 1.00 74.31 C ATOM 386 CG MET A 84 0.970 -0.166 5.019 1.00 12.35 C ATOM 387 SD MET A 84 1.333 -0.951 3.435 1.00 75.33 S ATOM 388 CE MET A 84 0.197 -0.136 2.320 1.00 54.33 C ATOM 0 H MET A 84 -1.145 1.694 6.090 1.00 12.24 H new ATOM 0 HA MET A 84 1.557 1.516 7.102 1.00 40.44 H new ATOM 0 HB2 MET A 84 0.413 1.785 4.302 1.00 74.31 H new ATOM 0 HB3 MET A 84 2.123 1.613 4.645 1.00 74.31 H new ATOM 0 HG2 MET A 84 1.630 -0.584 5.779 1.00 12.35 H new ATOM 0 HG3 MET A 84 -0.050 -0.415 5.311 1.00 12.35 H new ATOM 0 HE1 MET A 84 0.421 -0.429 1.294 1.00 54.33 H new ATOM 0 HE2 MET A 84 -0.825 -0.426 2.566 1.00 54.33 H new ATOM 0 HE3 MET A 84 0.302 0.944 2.420 1.00 54.33 H new ATOM 398 N GLY A 85 0.355 4.416 6.057 1.00 41.50 N ATOM 399 CA GLY A 85 0.583 5.869 5.949 1.00 72.32 C ATOM 400 C GLY A 85 1.053 6.536 7.238 1.00 12.14 C ATOM 401 O GLY A 85 1.630 7.630 7.200 1.00 31.34 O ATOM 0 H GLY A 85 -0.609 4.139 5.872 1.00 41.50 H new ATOM 0 HA2 GLY A 85 1.324 6.050 5.171 1.00 72.32 H new ATOM 0 HA3 GLY A 85 -0.342 6.346 5.625 1.00 72.32 H new ATOM 405 N LYS A 86 0.828 5.869 8.379 1.00 35.34 N ATOM 406 CA LYS A 86 1.213 6.395 9.696 1.00 52.13 C ATOM 407 C LYS A 86 2.649 5.955 10.041 1.00 50.23 C ATOM 408 O LYS A 86 3.389 6.702 10.682 1.00 4.02 O ATOM 409 CB LYS A 86 0.198 5.925 10.779 1.00 53.02 C ATOM 410 CG LYS A 86 0.275 4.424 11.159 1.00 73.15 C ATOM 411 CD LYS A 86 -1.058 3.841 11.682 1.00 44.24 C ATOM 412 CE LYS A 86 -1.644 4.587 12.885 1.00 75.12 C ATOM 413 NZ LYS A 86 -2.949 4.003 13.311 1.00 24.41 N ATOM 0 H LYS A 86 0.377 4.955 8.415 1.00 35.34 H new ATOM 0 HA LYS A 86 1.192 7.484 9.669 1.00 52.13 H new ATOM 0 HB2 LYS A 86 0.354 6.518 11.680 1.00 53.02 H new ATOM 0 HB3 LYS A 86 -0.810 6.141 10.425 1.00 53.02 H new ATOM 0 HG2 LYS A 86 0.592 3.854 10.286 1.00 73.15 H new ATOM 0 HG3 LYS A 86 1.042 4.291 11.922 1.00 73.15 H new ATOM 0 HD2 LYS A 86 -1.788 3.851 10.872 1.00 44.24 H new ATOM 0 HD3 LYS A 86 -0.902 2.798 11.957 1.00 44.24 H new ATOM 0 HE2 LYS A 86 -0.939 4.549 13.716 1.00 75.12 H new ATOM 0 HE3 LYS A 86 -1.781 5.638 12.631 1.00 75.12 H new ATOM 0 HZ1 LYS A 86 -2.965 3.907 14.346 1.00 24.41 H new ATOM 0 HZ2 LYS A 86 -3.724 4.628 13.009 1.00 24.41 H new ATOM 0 HZ3 LYS A 86 -3.069 3.067 12.875 1.00 24.41 H new ATOM 427 N GLU A 87 3.055 4.741 9.571 1.00 54.25 N ATOM 428 CA GLU A 87 4.377 4.153 9.886 1.00 63.11 C ATOM 429 C GLU A 87 5.472 4.589 8.894 1.00 21.01 C ATOM 430 O GLU A 87 6.637 4.238 9.082 1.00 55.31 O ATOM 431 CB GLU A 87 4.307 2.601 9.986 1.00 75.13 C ATOM 432 CG GLU A 87 3.494 2.085 11.194 1.00 63.30 C ATOM 433 CD GLU A 87 3.693 0.585 11.461 1.00 74.31 C ATOM 434 OE1 GLU A 87 3.032 -0.240 10.800 1.00 22.35 O ATOM 435 OE2 GLU A 87 4.493 0.230 12.353 1.00 60.12 O ATOM 0 H GLU A 87 2.477 4.153 8.970 1.00 54.25 H new ATOM 0 HA GLU A 87 4.657 4.544 10.864 1.00 63.11 H new ATOM 0 HB2 GLU A 87 3.866 2.208 9.070 1.00 75.13 H new ATOM 0 HB3 GLU A 87 5.321 2.205 10.048 1.00 75.13 H new ATOM 0 HG2 GLU A 87 3.780 2.647 12.083 1.00 63.30 H new ATOM 0 HG3 GLU A 87 2.436 2.279 11.021 1.00 63.30 H new ATOM 442 N ILE A 88 5.106 5.383 7.873 1.00 0.31 N ATOM 443 CA ILE A 88 6.077 6.003 6.945 1.00 73.43 C ATOM 444 C ILE A 88 6.966 7.018 7.699 1.00 53.31 C ATOM 445 O ILE A 88 8.170 7.151 7.424 1.00 31.50 O ATOM 446 CB ILE A 88 5.329 6.715 5.758 1.00 13.31 C ATOM 447 CG1 ILE A 88 4.570 5.667 4.895 1.00 72.31 C ATOM 448 CG2 ILE A 88 6.288 7.575 4.891 1.00 72.51 C ATOM 449 CD1 ILE A 88 3.803 6.244 3.727 1.00 62.23 C ATOM 0 H ILE A 88 4.134 5.614 7.666 1.00 0.31 H new ATOM 0 HA ILE A 88 6.711 5.217 6.534 1.00 73.43 H new ATOM 0 HB ILE A 88 4.602 7.403 6.189 1.00 13.31 H new ATOM 0 HG12 ILE A 88 5.288 4.940 4.516 1.00 72.31 H new ATOM 0 HG13 ILE A 88 3.875 5.124 5.536 1.00 72.31 H new ATOM 0 HG21 ILE A 88 5.726 8.046 4.085 1.00 72.51 H new ATOM 0 HG22 ILE A 88 6.747 8.345 5.511 1.00 72.51 H new ATOM 0 HG23 ILE A 88 7.065 6.939 4.468 1.00 72.51 H new ATOM 0 HD11 ILE A 88 3.307 5.439 3.184 1.00 62.23 H new ATOM 0 HD12 ILE A 88 3.057 6.948 4.094 1.00 62.23 H new ATOM 0 HD13 ILE A 88 4.492 6.761 3.059 1.00 62.23 H new ATOM 461 N ARG A 89 6.343 7.710 8.669 1.00 4.54 N ATOM 462 CA ARG A 89 6.998 8.764 9.463 1.00 55.41 C ATOM 463 C ARG A 89 8.150 8.173 10.354 1.00 72.10 C ATOM 464 O ARG A 89 9.290 8.628 10.217 1.00 60.34 O ATOM 465 CB ARG A 89 5.940 9.562 10.287 1.00 62.32 C ATOM 466 CG ARG A 89 4.684 9.973 9.481 1.00 71.24 C ATOM 467 CD ARG A 89 3.520 10.429 10.379 1.00 32.13 C ATOM 468 NE ARG A 89 2.276 10.644 9.620 1.00 53.21 N ATOM 469 CZ ARG A 89 1.035 10.630 10.137 1.00 33.24 C ATOM 470 NH1 ARG A 89 0.828 10.404 11.441 1.00 41.30 N ATOM 471 NH2 ARG A 89 0.002 10.855 9.334 1.00 43.55 N ATOM 0 H ARG A 89 5.368 7.553 8.925 1.00 4.54 H new ATOM 0 HA ARG A 89 7.474 9.472 8.784 1.00 55.41 H new ATOM 0 HB2 ARG A 89 5.629 8.958 11.139 1.00 62.32 H new ATOM 0 HB3 ARG A 89 6.410 10.460 10.688 1.00 62.32 H new ATOM 0 HG2 ARG A 89 4.946 10.780 8.796 1.00 71.24 H new ATOM 0 HG3 ARG A 89 4.358 9.130 8.871 1.00 71.24 H new ATOM 0 HD2 ARG A 89 3.346 9.680 11.152 1.00 32.13 H new ATOM 0 HD3 ARG A 89 3.797 11.353 10.887 1.00 32.13 H new ATOM 0 HE ARG A 89 2.363 10.818 8.619 1.00 53.21 H new ATOM 0 HH11 ARG A 89 1.620 10.238 12.062 1.00 41.30 H new ATOM 0 HH12 ARG A 89 -0.122 10.398 11.813 1.00 41.30 H new ATOM 0 HH21 ARG A 89 0.157 11.035 8.342 1.00 43.55 H new ATOM 0 HH22 ARG A 89 -0.947 10.848 9.709 1.00 43.55 H new ATOM 485 N PRO A 90 7.907 7.146 11.265 1.00 72.02 N ATOM 486 CA PRO A 90 9.002 6.487 12.031 1.00 41.34 C ATOM 487 C PRO A 90 10.021 5.748 11.126 1.00 41.15 C ATOM 488 O PRO A 90 11.210 5.700 11.458 1.00 62.41 O ATOM 489 CB PRO A 90 8.263 5.528 13.006 1.00 24.34 C ATOM 490 CG PRO A 90 6.917 5.321 12.396 1.00 0.15 C ATOM 491 CD PRO A 90 6.588 6.601 11.677 1.00 42.30 C ATOM 0 HA PRO A 90 9.620 7.215 12.557 1.00 41.34 H new ATOM 0 HB2 PRO A 90 8.798 4.584 13.112 1.00 24.34 H new ATOM 0 HB3 PRO A 90 8.182 5.963 14.002 1.00 24.34 H new ATOM 0 HG2 PRO A 90 6.927 4.477 11.706 1.00 0.15 H new ATOM 0 HG3 PRO A 90 6.172 5.100 13.160 1.00 0.15 H new ATOM 0 HD2 PRO A 90 5.947 6.418 10.814 1.00 42.30 H new ATOM 0 HD3 PRO A 90 6.057 7.296 12.327 1.00 42.30 H new ATOM 499 N THR A 91 9.565 5.202 9.972 1.00 62.22 N ATOM 500 CA THR A 91 10.462 4.613 8.943 1.00 44.43 C ATOM 501 C THR A 91 11.511 5.648 8.480 1.00 61.53 C ATOM 502 O THR A 91 12.716 5.371 8.447 1.00 42.32 O ATOM 503 CB THR A 91 9.638 4.083 7.721 1.00 13.25 C ATOM 504 OG1 THR A 91 8.864 2.952 8.138 1.00 60.40 O ATOM 505 CG2 THR A 91 10.512 3.685 6.515 1.00 72.43 C ATOM 0 H THR A 91 8.576 5.157 9.728 1.00 62.22 H new ATOM 0 HA THR A 91 10.984 3.769 9.393 1.00 44.43 H new ATOM 0 HB THR A 91 9.000 4.902 7.387 1.00 13.25 H new ATOM 0 HG1 THR A 91 7.992 3.256 8.467 1.00 60.40 H new ATOM 0 HG21 THR A 91 9.875 3.327 5.706 1.00 72.43 H new ATOM 0 HG22 THR A 91 11.079 4.552 6.174 1.00 72.43 H new ATOM 0 HG23 THR A 91 11.201 2.894 6.811 1.00 72.43 H new ATOM 513 N TYR A 92 11.019 6.860 8.183 1.00 5.34 N ATOM 514 CA TYR A 92 11.845 8.014 7.803 1.00 23.42 C ATOM 515 C TYR A 92 12.789 8.448 8.952 1.00 71.11 C ATOM 516 O TYR A 92 13.868 8.993 8.707 1.00 43.44 O ATOM 517 CB TYR A 92 10.924 9.185 7.383 1.00 51.34 C ATOM 518 CG TYR A 92 11.679 10.395 6.820 1.00 61.20 C ATOM 519 CD1 TYR A 92 12.180 10.374 5.524 1.00 51.31 C ATOM 520 CD2 TYR A 92 11.900 11.548 7.582 1.00 43.33 C ATOM 521 CE1 TYR A 92 12.866 11.441 5.010 1.00 50.34 C ATOM 522 CE2 TYR A 92 12.598 12.623 7.065 1.00 51.05 C ATOM 523 CZ TYR A 92 13.073 12.568 5.777 1.00 50.41 C ATOM 524 OH TYR A 92 13.770 13.641 5.255 1.00 4.30 O ATOM 0 H TYR A 92 10.021 7.068 8.201 1.00 5.34 H new ATOM 0 HA TYR A 92 12.476 7.725 6.963 1.00 23.42 H new ATOM 0 HB2 TYR A 92 10.218 8.828 6.633 1.00 51.34 H new ATOM 0 HB3 TYR A 92 10.339 9.503 8.246 1.00 51.34 H new ATOM 0 HD1 TYR A 92 12.025 9.499 4.910 1.00 51.31 H new ATOM 0 HD2 TYR A 92 11.519 11.599 8.591 1.00 43.33 H new ATOM 0 HE1 TYR A 92 13.247 11.400 4.000 1.00 50.34 H new ATOM 0 HE2 TYR A 92 12.769 13.501 7.670 1.00 51.05 H new ATOM 0 HH TYR A 92 14.551 13.315 4.761 1.00 4.30 H new ATOM 534 N ALA A 93 12.364 8.186 10.200 1.00 61.50 N ATOM 535 CA ALA A 93 13.120 8.560 11.415 1.00 32.12 C ATOM 536 C ALA A 93 14.251 7.564 11.722 1.00 75.25 C ATOM 537 O ALA A 93 15.083 7.814 12.606 1.00 20.51 O ATOM 538 CB ALA A 93 12.161 8.666 12.606 1.00 14.53 C ATOM 0 H ALA A 93 11.485 7.708 10.398 1.00 61.50 H new ATOM 0 HA ALA A 93 13.587 9.528 11.234 1.00 32.12 H new ATOM 0 HB1 ALA A 93 12.720 8.942 13.500 1.00 14.53 H new ATOM 0 HB2 ALA A 93 11.408 9.427 12.400 1.00 14.53 H new ATOM 0 HB3 ALA A 93 11.672 7.705 12.766 1.00 14.53 H new ATOM 544 N GLY A 94 14.293 6.449 10.963 1.00 62.25 N ATOM 545 CA GLY A 94 15.271 5.383 11.182 1.00 31.43 C ATOM 546 C GLY A 94 14.759 4.253 12.065 1.00 23.23 C ATOM 547 O GLY A 94 15.517 3.310 12.336 1.00 33.14 O ATOM 0 H GLY A 94 13.652 6.271 10.190 1.00 62.25 H new ATOM 0 HA2 GLY A 94 15.569 4.972 10.217 1.00 31.43 H new ATOM 0 HA3 GLY A 94 16.165 5.810 11.636 1.00 31.43 H new ATOM 551 N SER A 95 13.500 4.346 12.542 1.00 13.31 N ATOM 552 CA SER A 95 12.861 3.264 13.314 1.00 34.11 C ATOM 553 C SER A 95 12.680 1.990 12.454 1.00 5.04 C ATOM 554 O SER A 95 11.738 1.886 11.656 1.00 24.22 O ATOM 555 CB SER A 95 11.508 3.740 13.887 1.00 32.13 C ATOM 556 OG SER A 95 11.650 4.963 14.600 1.00 1.43 O ATOM 0 H SER A 95 12.905 5.163 12.404 1.00 13.31 H new ATOM 0 HA SER A 95 13.518 3.007 14.145 1.00 34.11 H new ATOM 0 HB2 SER A 95 10.793 3.871 13.075 1.00 32.13 H new ATOM 0 HB3 SER A 95 11.102 2.975 14.549 1.00 32.13 H new ATOM 0 HG SER A 95 10.778 5.241 14.950 1.00 1.43 H new ATOM 562 N LYS A 96 13.633 1.055 12.613 1.00 43.21 N ATOM 563 CA LYS A 96 13.679 -0.228 11.881 1.00 70.41 C ATOM 564 C LYS A 96 12.451 -1.132 12.126 1.00 5.11 C ATOM 565 O LYS A 96 12.056 -1.876 11.233 1.00 24.43 O ATOM 566 CB LYS A 96 14.992 -0.971 12.242 1.00 42.23 C ATOM 567 CG LYS A 96 15.202 -1.232 13.750 1.00 12.11 C ATOM 568 CD LYS A 96 16.559 -1.903 14.092 1.00 53.14 C ATOM 569 CE LYS A 96 16.624 -3.407 13.741 1.00 44.51 C ATOM 570 NZ LYS A 96 16.561 -3.696 12.277 1.00 11.31 N ATOM 0 H LYS A 96 14.408 1.170 13.266 1.00 43.21 H new ATOM 0 HA LYS A 96 13.655 0.007 10.817 1.00 70.41 H new ATOM 0 HB2 LYS A 96 15.007 -1.927 11.718 1.00 42.23 H new ATOM 0 HB3 LYS A 96 15.835 -0.390 11.869 1.00 42.23 H new ATOM 0 HG2 LYS A 96 15.132 -0.285 14.285 1.00 12.11 H new ATOM 0 HG3 LYS A 96 14.393 -1.865 14.115 1.00 12.11 H new ATOM 0 HD2 LYS A 96 17.355 -1.382 13.560 1.00 53.14 H new ATOM 0 HD3 LYS A 96 16.755 -1.780 15.157 1.00 53.14 H new ATOM 0 HE2 LYS A 96 17.548 -3.823 14.143 1.00 44.51 H new ATOM 0 HE3 LYS A 96 15.801 -3.921 14.237 1.00 44.51 H new ATOM 0 HZ1 LYS A 96 17.132 -4.539 12.065 1.00 11.31 H new ATOM 0 HZ2 LYS A 96 15.574 -3.868 11.999 1.00 11.31 H new ATOM 0 HZ3 LYS A 96 16.933 -2.883 11.746 1.00 11.31 H new ATOM 584 N SER A 97 11.860 -1.048 13.328 1.00 10.34 N ATOM 585 CA SER A 97 10.694 -1.867 13.711 1.00 53.20 C ATOM 586 C SER A 97 9.452 -1.479 12.885 1.00 5.45 C ATOM 587 O SER A 97 8.760 -2.351 12.339 1.00 65.41 O ATOM 588 CB SER A 97 10.420 -1.721 15.225 1.00 33.20 C ATOM 589 OG SER A 97 9.327 -2.528 15.650 1.00 55.23 O ATOM 0 H SER A 97 12.174 -0.413 14.062 1.00 10.34 H new ATOM 0 HA SER A 97 10.918 -2.912 13.498 1.00 53.20 H new ATOM 0 HB2 SER A 97 11.314 -1.998 15.783 1.00 33.20 H new ATOM 0 HB3 SER A 97 10.211 -0.677 15.456 1.00 33.20 H new ATOM 0 HG SER A 97 9.187 -2.409 16.613 1.00 55.23 H new ATOM 595 N ALA A 98 9.199 -0.161 12.792 1.00 71.33 N ATOM 596 CA ALA A 98 8.084 0.393 12.010 1.00 72.15 C ATOM 597 C ALA A 98 8.288 0.157 10.503 1.00 2.42 C ATOM 598 O ALA A 98 7.329 -0.101 9.780 1.00 2.21 O ATOM 599 CB ALA A 98 7.928 1.882 12.305 1.00 52.11 C ATOM 0 H ALA A 98 9.764 0.549 13.258 1.00 71.33 H new ATOM 0 HA ALA A 98 7.170 -0.123 12.304 1.00 72.15 H new ATOM 0 HB1 ALA A 98 7.100 2.284 11.721 1.00 52.11 H new ATOM 0 HB2 ALA A 98 7.726 2.023 13.367 1.00 52.11 H new ATOM 0 HB3 ALA A 98 8.847 2.404 12.038 1.00 52.11 H new ATOM 605 N MET A 99 9.561 0.245 10.056 1.00 43.03 N ATOM 606 CA MET A 99 9.964 0.014 8.648 1.00 72.50 C ATOM 607 C MET A 99 9.813 -1.466 8.249 1.00 31.42 C ATOM 608 O MET A 99 9.437 -1.784 7.111 1.00 41.21 O ATOM 609 CB MET A 99 11.419 0.514 8.447 1.00 73.14 C ATOM 610 CG MET A 99 12.047 0.251 7.058 1.00 60.33 C ATOM 611 SD MET A 99 12.628 -1.441 6.836 1.00 64.34 S ATOM 612 CE MET A 99 13.827 -1.582 8.164 1.00 54.51 C ATOM 0 H MET A 99 10.344 0.480 10.666 1.00 43.03 H new ATOM 0 HA MET A 99 9.301 0.578 7.992 1.00 72.50 H new ATOM 0 HB2 MET A 99 11.441 1.587 8.635 1.00 73.14 H new ATOM 0 HB3 MET A 99 12.050 0.045 9.202 1.00 73.14 H new ATOM 0 HG2 MET A 99 11.310 0.477 6.287 1.00 60.33 H new ATOM 0 HG3 MET A 99 12.883 0.935 6.911 1.00 60.33 H new ATOM 0 HE1 MET A 99 14.726 -2.073 7.792 1.00 54.51 H new ATOM 0 HE2 MET A 99 14.082 -0.588 8.531 1.00 54.51 H new ATOM 0 HE3 MET A 99 13.402 -2.171 8.977 1.00 54.51 H new ATOM 622 N GLU A 100 10.103 -2.361 9.208 1.00 51.34 N ATOM 623 CA GLU A 100 9.955 -3.819 9.040 1.00 64.12 C ATOM 624 C GLU A 100 8.466 -4.174 8.875 1.00 3.01 C ATOM 625 O GLU A 100 8.098 -4.987 8.020 1.00 75.25 O ATOM 626 CB GLU A 100 10.575 -4.562 10.257 1.00 62.11 C ATOM 627 CG GLU A 100 10.537 -6.099 10.179 1.00 2.02 C ATOM 628 CD GLU A 100 11.289 -6.766 11.336 1.00 11.31 C ATOM 629 OE1 GLU A 100 12.534 -6.805 11.300 1.00 74.15 O ATOM 630 OE2 GLU A 100 10.645 -7.221 12.303 1.00 1.20 O ATOM 0 H GLU A 100 10.449 -2.092 10.129 1.00 51.34 H new ATOM 0 HA GLU A 100 10.487 -4.137 8.143 1.00 64.12 H new ATOM 0 HB2 GLU A 100 11.613 -4.246 10.365 1.00 62.11 H new ATOM 0 HB3 GLU A 100 10.051 -4.247 11.159 1.00 62.11 H new ATOM 0 HG2 GLU A 100 9.500 -6.434 10.184 1.00 2.02 H new ATOM 0 HG3 GLU A 100 10.972 -6.422 9.233 1.00 2.02 H new ATOM 637 N ARG A 101 7.631 -3.492 9.679 1.00 13.41 N ATOM 638 CA ARG A 101 6.171 -3.674 9.679 1.00 62.23 C ATOM 639 C ARG A 101 5.521 -2.917 8.496 1.00 14.05 C ATOM 640 O ARG A 101 4.405 -3.242 8.082 1.00 25.42 O ATOM 641 CB ARG A 101 5.573 -3.205 11.028 1.00 73.22 C ATOM 642 CG ARG A 101 4.114 -3.663 11.269 1.00 15.23 C ATOM 643 CD ARG A 101 3.525 -3.160 12.596 1.00 13.21 C ATOM 644 NE ARG A 101 4.231 -3.679 13.789 1.00 14.10 N ATOM 645 CZ ARG A 101 4.898 -2.932 14.688 1.00 4.04 C ATOM 646 NH1 ARG A 101 4.981 -1.606 14.551 1.00 53.44 N ATOM 647 NH2 ARG A 101 5.465 -3.522 15.734 1.00 2.13 N ATOM 0 H ARG A 101 7.954 -2.795 10.350 1.00 13.41 H new ATOM 0 HA ARG A 101 5.955 -4.735 9.555 1.00 62.23 H new ATOM 0 HB2 ARG A 101 6.198 -3.579 11.839 1.00 73.22 H new ATOM 0 HB3 ARG A 101 5.612 -2.117 11.071 1.00 73.22 H new ATOM 0 HG2 ARG A 101 3.491 -3.311 10.447 1.00 15.23 H new ATOM 0 HG3 ARG A 101 4.076 -4.752 11.254 1.00 15.23 H new ATOM 0 HD2 ARG A 101 3.558 -2.071 12.609 1.00 13.21 H new ATOM 0 HD3 ARG A 101 2.475 -3.448 12.651 1.00 13.21 H new ATOM 0 HE ARG A 101 4.210 -4.687 13.943 1.00 14.10 H new ATOM 0 HH11 ARG A 101 4.535 -1.146 13.757 1.00 53.44 H new ATOM 0 HH12 ARG A 101 5.490 -1.053 15.241 1.00 53.44 H new ATOM 0 HH21 ARG A 101 5.393 -4.533 15.851 1.00 2.13 H new ATOM 0 HH22 ARG A 101 5.973 -2.964 16.421 1.00 2.13 H new ATOM 661 N LEU A 102 6.244 -1.919 7.946 1.00 44.51 N ATOM 662 CA LEU A 102 5.787 -1.142 6.774 1.00 60.13 C ATOM 663 C LEU A 102 5.901 -2.005 5.504 1.00 41.11 C ATOM 664 O LEU A 102 4.957 -2.090 4.714 1.00 52.45 O ATOM 665 CB LEU A 102 6.613 0.172 6.628 1.00 71.33 C ATOM 666 CG LEU A 102 6.085 1.204 5.583 1.00 11.33 C ATOM 667 CD1 LEU A 102 4.666 1.666 5.930 1.00 51.31 C ATOM 668 CD2 LEU A 102 7.034 2.410 5.443 1.00 62.45 C ATOM 0 H LEU A 102 7.156 -1.630 8.299 1.00 44.51 H new ATOM 0 HA LEU A 102 4.743 -0.864 6.918 1.00 60.13 H new ATOM 0 HB2 LEU A 102 6.655 0.661 7.601 1.00 71.33 H new ATOM 0 HB3 LEU A 102 7.636 -0.094 6.361 1.00 71.33 H new ATOM 0 HG LEU A 102 6.051 0.697 4.618 1.00 11.33 H new ATOM 0 HD11 LEU A 102 4.325 2.384 5.185 1.00 51.31 H new ATOM 0 HD12 LEU A 102 3.996 0.807 5.939 1.00 51.31 H new ATOM 0 HD13 LEU A 102 4.667 2.136 6.913 1.00 51.31 H new ATOM 0 HD21 LEU A 102 6.632 3.106 4.707 1.00 62.45 H new ATOM 0 HD22 LEU A 102 7.127 2.914 6.405 1.00 62.45 H new ATOM 0 HD23 LEU A 102 8.015 2.065 5.118 1.00 62.45 H new ATOM 680 N LYS A 103 7.068 -2.669 5.339 1.00 60.43 N ATOM 681 CA LYS A 103 7.292 -3.622 4.228 1.00 40.40 C ATOM 682 C LYS A 103 6.406 -4.864 4.389 1.00 63.05 C ATOM 683 O LYS A 103 5.992 -5.459 3.400 1.00 11.15 O ATOM 684 CB LYS A 103 8.770 -4.069 4.137 1.00 51.23 C ATOM 685 CG LYS A 103 9.792 -2.923 4.021 1.00 20.15 C ATOM 686 CD LYS A 103 11.209 -3.409 3.640 1.00 24.22 C ATOM 687 CE LYS A 103 11.752 -4.509 4.560 1.00 13.12 C ATOM 688 NZ LYS A 103 11.901 -4.041 5.959 1.00 61.51 N ATOM 0 H LYS A 103 7.869 -2.562 5.961 1.00 60.43 H new ATOM 0 HA LYS A 103 7.030 -3.097 3.309 1.00 40.40 H new ATOM 0 HB2 LYS A 103 9.010 -4.661 5.020 1.00 51.23 H new ATOM 0 HB3 LYS A 103 8.883 -4.725 3.274 1.00 51.23 H new ATOM 0 HG2 LYS A 103 9.446 -2.210 3.273 1.00 20.15 H new ATOM 0 HG3 LYS A 103 9.840 -2.390 4.971 1.00 20.15 H new ATOM 0 HD2 LYS A 103 11.193 -3.780 2.615 1.00 24.22 H new ATOM 0 HD3 LYS A 103 11.892 -2.560 3.661 1.00 24.22 H new ATOM 0 HE2 LYS A 103 11.080 -5.367 4.535 1.00 13.12 H new ATOM 0 HE3 LYS A 103 12.718 -4.849 4.187 1.00 13.12 H new ATOM 0 HZ1 LYS A 103 12.254 -4.820 6.550 1.00 61.51 H new ATOM 0 HZ2 LYS A 103 12.575 -3.250 5.990 1.00 61.51 H new ATOM 0 HZ3 LYS A 103 10.978 -3.724 6.319 1.00 61.51 H new ATOM 702 N ARG A 104 6.151 -5.251 5.654 1.00 22.51 N ATOM 703 CA ARG A 104 5.228 -6.347 5.998 1.00 34.34 C ATOM 704 C ARG A 104 3.802 -5.986 5.568 1.00 44.55 C ATOM 705 O ARG A 104 3.046 -6.843 5.093 1.00 60.12 O ATOM 706 CB ARG A 104 5.284 -6.609 7.522 1.00 61.10 C ATOM 707 CG ARG A 104 4.489 -7.832 8.012 1.00 51.44 C ATOM 708 CD ARG A 104 4.593 -8.033 9.532 1.00 74.51 C ATOM 709 NE ARG A 104 3.876 -9.246 9.966 1.00 23.41 N ATOM 710 CZ ARG A 104 4.216 -10.031 11.003 1.00 21.10 C ATOM 711 NH1 ARG A 104 5.286 -9.763 11.752 1.00 61.32 N ATOM 712 NH2 ARG A 104 3.465 -11.090 11.291 1.00 32.44 N ATOM 0 H ARG A 104 6.581 -4.810 6.467 1.00 22.51 H new ATOM 0 HA ARG A 104 5.528 -7.253 5.471 1.00 34.34 H new ATOM 0 HB2 ARG A 104 6.327 -6.734 7.814 1.00 61.10 H new ATOM 0 HB3 ARG A 104 4.912 -5.724 8.039 1.00 61.10 H new ATOM 0 HG2 ARG A 104 3.441 -7.714 7.735 1.00 51.44 H new ATOM 0 HG3 ARG A 104 4.854 -8.725 7.505 1.00 51.44 H new ATOM 0 HD2 ARG A 104 5.642 -8.106 9.820 1.00 74.51 H new ATOM 0 HD3 ARG A 104 4.182 -7.163 10.044 1.00 74.51 H new ATOM 0 HE ARG A 104 3.049 -9.513 9.432 1.00 23.41 H new ATOM 0 HH11 ARG A 104 5.864 -8.949 11.543 1.00 61.32 H new ATOM 0 HH12 ARG A 104 5.526 -10.372 12.534 1.00 61.32 H new ATOM 0 HH21 ARG A 104 2.641 -11.299 10.727 1.00 32.44 H new ATOM 0 HH22 ARG A 104 3.713 -11.693 12.075 1.00 32.44 H new ATOM 726 N GLY A 105 3.465 -4.691 5.740 1.00 43.24 N ATOM 727 CA GLY A 105 2.212 -4.136 5.256 1.00 32.32 C ATOM 728 C GLY A 105 2.088 -4.243 3.747 1.00 31.11 C ATOM 729 O GLY A 105 1.001 -4.499 3.249 1.00 61.50 O ATOM 0 H GLY A 105 4.060 -4.014 6.218 1.00 43.24 H new ATOM 0 HA2 GLY A 105 1.379 -4.658 5.726 1.00 32.32 H new ATOM 0 HA3 GLY A 105 2.141 -3.089 5.552 1.00 32.32 H new ATOM 733 N ILE A 106 3.218 -4.063 3.030 1.00 63.51 N ATOM 734 CA ILE A 106 3.273 -4.249 1.566 1.00 12.41 C ATOM 735 C ILE A 106 3.140 -5.747 1.180 1.00 34.44 C ATOM 736 O ILE A 106 2.467 -6.055 0.213 1.00 72.15 O ATOM 737 CB ILE A 106 4.573 -3.578 0.923 1.00 24.23 C ATOM 738 CG1 ILE A 106 4.315 -2.075 0.552 1.00 42.51 C ATOM 739 CG2 ILE A 106 5.108 -4.349 -0.319 1.00 32.51 C ATOM 740 CD1 ILE A 106 4.080 -1.122 1.704 1.00 14.04 C ATOM 0 H ILE A 106 4.108 -3.788 3.445 1.00 63.51 H new ATOM 0 HA ILE A 106 2.414 -3.728 1.143 1.00 12.41 H new ATOM 0 HB ILE A 106 5.344 -3.630 1.691 1.00 24.23 H new ATOM 0 HG12 ILE A 106 5.170 -1.714 -0.020 1.00 42.51 H new ATOM 0 HG13 ILE A 106 3.449 -2.031 -0.108 1.00 42.51 H new ATOM 0 HG21 ILE A 106 5.991 -3.843 -0.709 1.00 32.51 H new ATOM 0 HG22 ILE A 106 5.371 -5.367 -0.030 1.00 32.51 H new ATOM 0 HG23 ILE A 106 4.337 -4.378 -1.089 1.00 32.51 H new ATOM 0 HD11 ILE A 106 3.915 -0.117 1.317 1.00 14.04 H new ATOM 0 HD12 ILE A 106 3.204 -1.442 2.268 1.00 14.04 H new ATOM 0 HD13 ILE A 106 4.952 -1.120 2.358 1.00 14.04 H new ATOM 752 N ILE A 107 3.754 -6.667 1.959 1.00 12.43 N ATOM 753 CA ILE A 107 3.649 -8.128 1.699 1.00 24.43 C ATOM 754 C ILE A 107 2.177 -8.575 1.829 1.00 41.24 C ATOM 755 O ILE A 107 1.659 -9.321 0.993 1.00 63.13 O ATOM 756 CB ILE A 107 4.555 -8.969 2.677 1.00 5.24 C ATOM 757 CG1 ILE A 107 6.060 -8.592 2.504 1.00 40.22 C ATOM 758 CG2 ILE A 107 4.343 -10.498 2.489 1.00 62.53 C ATOM 759 CD1 ILE A 107 6.999 -9.286 3.476 1.00 53.42 C ATOM 0 H ILE A 107 4.325 -6.429 2.770 1.00 12.43 H new ATOM 0 HA ILE A 107 4.004 -8.311 0.685 1.00 24.43 H new ATOM 0 HB ILE A 107 4.253 -8.720 3.694 1.00 5.24 H new ATOM 0 HG12 ILE A 107 6.367 -8.833 1.486 1.00 40.22 H new ATOM 0 HG13 ILE A 107 6.167 -7.514 2.622 1.00 40.22 H new ATOM 0 HG21 ILE A 107 4.985 -11.042 3.181 1.00 62.53 H new ATOM 0 HG22 ILE A 107 3.301 -10.748 2.688 1.00 62.53 H new ATOM 0 HG23 ILE A 107 4.594 -10.777 1.466 1.00 62.53 H new ATOM 0 HD11 ILE A 107 8.023 -8.966 3.284 1.00 53.42 H new ATOM 0 HD12 ILE A 107 6.723 -9.025 4.498 1.00 53.42 H new ATOM 0 HD13 ILE A 107 6.926 -10.366 3.345 1.00 53.42 H new ATOM 771 N HIS A 108 1.512 -8.043 2.867 1.00 60.21 N ATOM 772 CA HIS A 108 0.110 -8.340 3.169 1.00 34.15 C ATOM 773 C HIS A 108 -0.820 -7.673 2.139 1.00 73.14 C ATOM 774 O HIS A 108 -1.772 -8.296 1.677 1.00 70.13 O ATOM 775 CB HIS A 108 -0.243 -7.876 4.600 1.00 41.22 C ATOM 776 CG HIS A 108 -1.654 -8.194 5.019 1.00 33.22 C ATOM 777 ND1 HIS A 108 -2.507 -7.261 5.563 1.00 21.44 N ATOM 778 CD2 HIS A 108 -2.351 -9.359 4.990 1.00 32.03 C ATOM 779 CE1 HIS A 108 -3.652 -7.834 5.856 1.00 54.53 C ATOM 780 NE2 HIS A 108 -3.585 -9.101 5.515 1.00 43.53 N ATOM 0 H HIS A 108 1.939 -7.390 3.523 1.00 60.21 H new ATOM 0 HA HIS A 108 -0.034 -9.419 3.110 1.00 34.15 H new ATOM 0 HB2 HIS A 108 0.447 -8.343 5.302 1.00 41.22 H new ATOM 0 HB3 HIS A 108 -0.089 -6.799 4.670 1.00 41.22 H new ATOM 0 HD2 HIS A 108 -1.996 -10.310 4.621 1.00 32.03 H new ATOM 0 HE1 HIS A 108 -4.506 -7.345 6.302 1.00 54.53 H new ATOM 0 HE2 HIS A 108 -4.335 -9.783 5.625 1.00 43.53 H new ATOM 789 N ALA A 109 -0.513 -6.416 1.776 1.00 71.53 N ATOM 790 CA ALA A 109 -1.321 -5.634 0.817 1.00 11.43 C ATOM 791 C ALA A 109 -1.259 -6.252 -0.588 1.00 40.53 C ATOM 792 O ALA A 109 -2.271 -6.350 -1.284 1.00 11.53 O ATOM 793 CB ALA A 109 -0.846 -4.178 0.786 1.00 33.43 C ATOM 0 H ALA A 109 0.298 -5.913 2.136 1.00 71.53 H new ATOM 0 HA ALA A 109 -2.359 -5.656 1.148 1.00 11.43 H new ATOM 0 HB1 ALA A 109 -1.450 -3.613 0.076 1.00 33.43 H new ATOM 0 HB2 ALA A 109 -0.950 -3.740 1.779 1.00 33.43 H new ATOM 0 HB3 ALA A 109 0.200 -4.143 0.482 1.00 33.43 H new ATOM 799 N ARG A 110 -0.046 -6.692 -0.957 1.00 72.11 N ATOM 800 CA ARG A 110 0.240 -7.388 -2.224 1.00 52.42 C ATOM 801 C ARG A 110 -0.504 -8.721 -2.262 1.00 51.44 C ATOM 802 O ARG A 110 -1.067 -9.087 -3.287 1.00 73.45 O ATOM 803 CB ARG A 110 1.771 -7.618 -2.347 1.00 74.32 C ATOM 804 CG ARG A 110 2.239 -8.462 -3.551 1.00 1.44 C ATOM 805 CD ARG A 110 3.757 -8.699 -3.543 1.00 62.40 C ATOM 806 NE ARG A 110 4.193 -9.547 -4.662 1.00 70.12 N ATOM 807 CZ ARG A 110 5.453 -9.657 -5.108 1.00 55.02 C ATOM 808 NH1 ARG A 110 6.446 -8.962 -4.540 1.00 24.33 N ATOM 809 NH2 ARG A 110 5.713 -10.451 -6.142 1.00 44.14 N ATOM 0 H ARG A 110 0.781 -6.572 -0.372 1.00 72.11 H new ATOM 0 HA ARG A 110 -0.098 -6.779 -3.063 1.00 52.42 H new ATOM 0 HB2 ARG A 110 2.260 -6.645 -2.400 1.00 74.32 H new ATOM 0 HB3 ARG A 110 2.119 -8.101 -1.434 1.00 74.32 H new ATOM 0 HG2 ARG A 110 1.724 -9.422 -3.541 1.00 1.44 H new ATOM 0 HG3 ARG A 110 1.957 -7.959 -4.476 1.00 1.44 H new ATOM 0 HD2 ARG A 110 4.273 -7.740 -3.594 1.00 62.40 H new ATOM 0 HD3 ARG A 110 4.045 -9.167 -2.601 1.00 62.40 H new ATOM 0 HE ARG A 110 3.478 -10.097 -5.138 1.00 70.12 H new ATOM 0 HH11 ARG A 110 6.249 -8.338 -3.757 1.00 24.33 H new ATOM 0 HH12 ARG A 110 7.399 -9.056 -4.890 1.00 24.33 H new ATOM 0 HH21 ARG A 110 4.957 -10.970 -6.589 1.00 44.14 H new ATOM 0 HH22 ARG A 110 6.668 -10.541 -6.488 1.00 44.14 H new ATOM 823 N ALA A 111 -0.522 -9.412 -1.103 1.00 33.44 N ATOM 824 CA ALA A 111 -1.191 -10.709 -0.948 1.00 24.23 C ATOM 825 C ALA A 111 -2.715 -10.557 -1.084 1.00 71.54 C ATOM 826 O ALA A 111 -3.380 -11.421 -1.660 1.00 51.11 O ATOM 827 CB ALA A 111 -0.832 -11.336 0.405 1.00 52.42 C ATOM 0 H ALA A 111 -0.071 -9.081 -0.250 1.00 33.44 H new ATOM 0 HA ALA A 111 -0.844 -11.371 -1.741 1.00 24.23 H new ATOM 0 HB1 ALA A 111 -1.336 -12.297 0.506 1.00 52.42 H new ATOM 0 HB2 ALA A 111 0.246 -11.483 0.463 1.00 52.42 H new ATOM 0 HB3 ALA A 111 -1.151 -10.673 1.209 1.00 52.42 H new ATOM 833 N LEU A 112 -3.250 -9.431 -0.558 1.00 3.34 N ATOM 834 CA LEU A 112 -4.693 -9.130 -0.612 1.00 63.12 C ATOM 835 C LEU A 112 -5.138 -8.858 -2.050 1.00 53.32 C ATOM 836 O LEU A 112 -6.149 -9.405 -2.486 1.00 13.43 O ATOM 837 CB LEU A 112 -5.065 -7.941 0.318 1.00 35.31 C ATOM 838 CG LEU A 112 -4.953 -8.223 1.849 1.00 15.21 C ATOM 839 CD1 LEU A 112 -5.330 -6.979 2.671 1.00 23.35 C ATOM 840 CD2 LEU A 112 -5.802 -9.452 2.251 1.00 3.22 C ATOM 0 H LEU A 112 -2.697 -8.714 -0.089 1.00 3.34 H new ATOM 0 HA LEU A 112 -5.226 -10.009 -0.249 1.00 63.12 H new ATOM 0 HB2 LEU A 112 -4.420 -7.097 0.074 1.00 35.31 H new ATOM 0 HB3 LEU A 112 -6.088 -7.636 0.097 1.00 35.31 H new ATOM 0 HG LEU A 112 -3.912 -8.457 2.073 1.00 15.21 H new ATOM 0 HD11 LEU A 112 -5.243 -7.205 3.734 1.00 23.35 H new ATOM 0 HD12 LEU A 112 -4.658 -6.159 2.418 1.00 23.35 H new ATOM 0 HD13 LEU A 112 -6.356 -6.691 2.444 1.00 23.35 H new ATOM 0 HD21 LEU A 112 -5.706 -9.626 3.323 1.00 3.22 H new ATOM 0 HD22 LEU A 112 -6.848 -9.268 2.006 1.00 3.22 H new ATOM 0 HD23 LEU A 112 -5.451 -10.330 1.708 1.00 3.22 H new ATOM 852 N VAL A 113 -4.352 -8.047 -2.788 1.00 54.51 N ATOM 853 CA VAL A 113 -4.639 -7.766 -4.202 1.00 34.04 C ATOM 854 C VAL A 113 -4.507 -9.056 -5.037 1.00 11.30 C ATOM 855 O VAL A 113 -5.387 -9.375 -5.831 1.00 21.21 O ATOM 856 CB VAL A 113 -3.712 -6.654 -4.821 1.00 65.53 C ATOM 857 CG1 VAL A 113 -4.136 -6.345 -6.275 1.00 21.24 C ATOM 858 CG2 VAL A 113 -3.700 -5.362 -3.977 1.00 22.13 C ATOM 0 H VAL A 113 -3.520 -7.580 -2.427 1.00 54.51 H new ATOM 0 HA VAL A 113 -5.661 -7.388 -4.234 1.00 34.04 H new ATOM 0 HB VAL A 113 -2.695 -7.047 -4.820 1.00 65.53 H new ATOM 0 HG11 VAL A 113 -3.485 -5.574 -6.688 1.00 21.24 H new ATOM 0 HG12 VAL A 113 -4.055 -7.250 -6.878 1.00 21.24 H new ATOM 0 HG13 VAL A 113 -5.167 -5.993 -6.286 1.00 21.24 H new ATOM 0 HG21 VAL A 113 -3.046 -4.627 -4.446 1.00 22.13 H new ATOM 0 HG22 VAL A 113 -4.711 -4.960 -3.913 1.00 22.13 H new ATOM 0 HG23 VAL A 113 -3.334 -5.585 -2.975 1.00 22.13 H new ATOM 868 N ARG A 114 -3.425 -9.818 -4.780 1.00 10.44 N ATOM 869 CA ARG A 114 -3.043 -10.997 -5.580 1.00 54.25 C ATOM 870 C ARG A 114 -4.093 -12.120 -5.487 1.00 73.51 C ATOM 871 O ARG A 114 -4.485 -12.683 -6.512 1.00 51.12 O ATOM 872 CB ARG A 114 -1.640 -11.506 -5.144 1.00 12.02 C ATOM 873 CG ARG A 114 -1.078 -12.665 -5.996 1.00 0.11 C ATOM 874 CD ARG A 114 -0.865 -12.277 -7.471 1.00 72.11 C ATOM 875 NE ARG A 114 -0.539 -13.451 -8.296 1.00 2.31 N ATOM 876 CZ ARG A 114 -0.516 -13.470 -9.636 1.00 11.02 C ATOM 877 NH1 ARG A 114 -0.791 -12.379 -10.344 1.00 12.12 N ATOM 878 NH2 ARG A 114 -0.222 -14.592 -10.268 1.00 23.43 N ATOM 0 H ARG A 114 -2.788 -9.630 -4.006 1.00 10.44 H new ATOM 0 HA ARG A 114 -2.998 -10.692 -6.626 1.00 54.25 H new ATOM 0 HB2 ARG A 114 -0.939 -10.672 -5.182 1.00 12.02 H new ATOM 0 HB3 ARG A 114 -1.693 -11.830 -4.105 1.00 12.02 H new ATOM 0 HG2 ARG A 114 -0.129 -12.994 -5.572 1.00 0.11 H new ATOM 0 HG3 ARG A 114 -1.762 -13.512 -5.944 1.00 0.11 H new ATOM 0 HD2 ARG A 114 -1.766 -11.799 -7.856 1.00 72.11 H new ATOM 0 HD3 ARG A 114 -0.060 -11.545 -7.543 1.00 72.11 H new ATOM 0 HE ARG A 114 -0.313 -14.319 -7.810 1.00 2.31 H new ATOM 0 HH11 ARG A 114 -1.025 -11.508 -9.868 1.00 12.12 H new ATOM 0 HH12 ARG A 114 -0.768 -12.413 -11.363 1.00 12.12 H new ATOM 0 HH21 ARG A 114 -0.014 -15.437 -9.736 1.00 23.43 H new ATOM 0 HH22 ARG A 114 -0.203 -14.613 -11.288 1.00 23.43 H new ATOM 1319 N THR B 75 -4.753 -4.401 -11.029 1.00 64.42 N ATOM 1320 CA THR B 75 -3.347 -4.786 -11.233 1.00 50.30 C ATOM 1321 C THR B 75 -2.438 -3.548 -11.066 1.00 21.43 C ATOM 1322 O THR B 75 -1.268 -3.662 -10.677 1.00 22.41 O ATOM 1323 CB THR B 75 -3.159 -5.416 -12.650 1.00 21.01 C ATOM 1324 OG1 THR B 75 -4.003 -6.574 -12.777 1.00 15.24 O ATOM 1325 CG2 THR B 75 -1.699 -5.815 -12.941 1.00 54.04 C ATOM 0 HA THR B 75 -3.069 -5.531 -10.487 1.00 50.30 H new ATOM 0 HB THR B 75 -3.436 -4.653 -13.378 1.00 21.01 H new ATOM 0 HG1 THR B 75 -4.821 -6.441 -12.254 1.00 15.24 H new ATOM 0 HG21 THR B 75 -1.632 -6.247 -13.940 1.00 54.04 H new ATOM 0 HG22 THR B 75 -1.062 -4.932 -12.884 1.00 54.04 H new ATOM 0 HG23 THR B 75 -1.369 -6.549 -12.206 1.00 54.04 H new ATOM 1333 N ASP B 76 -3.008 -2.358 -11.342 1.00 1.33 N ATOM 1334 CA ASP B 76 -2.332 -1.075 -11.138 1.00 3.13 C ATOM 1335 C ASP B 76 -2.121 -0.874 -9.638 1.00 71.13 C ATOM 1336 O ASP B 76 -1.037 -0.508 -9.207 1.00 2.25 O ATOM 1337 CB ASP B 76 -3.160 0.093 -11.735 1.00 22.12 C ATOM 1338 CG ASP B 76 -2.455 1.455 -11.596 1.00 53.45 C ATOM 1339 OD1 ASP B 76 -1.672 1.818 -12.498 1.00 4.42 O ATOM 1340 OD2 ASP B 76 -2.651 2.158 -10.578 1.00 30.01 O ATOM 0 H ASP B 76 -3.953 -2.267 -11.714 1.00 1.33 H new ATOM 0 HA ASP B 76 -1.370 -1.084 -11.651 1.00 3.13 H new ATOM 0 HB2 ASP B 76 -3.352 -0.106 -12.789 1.00 22.12 H new ATOM 0 HB3 ASP B 76 -4.129 0.138 -11.237 1.00 22.12 H new ATOM 1345 N LEU B 77 -3.180 -1.183 -8.862 1.00 50.41 N ATOM 1346 CA LEU B 77 -3.158 -1.153 -7.392 1.00 2.01 C ATOM 1347 C LEU B 77 -2.098 -2.125 -6.827 1.00 71.30 C ATOM 1348 O LEU B 77 -1.364 -1.756 -5.917 1.00 73.45 O ATOM 1349 CB LEU B 77 -4.570 -1.478 -6.845 1.00 41.13 C ATOM 1350 CG LEU B 77 -4.734 -1.533 -5.290 1.00 44.20 C ATOM 1351 CD1 LEU B 77 -4.266 -0.235 -4.598 1.00 62.22 C ATOM 1352 CD2 LEU B 77 -6.184 -1.855 -4.916 1.00 54.21 C ATOM 0 H LEU B 77 -4.082 -1.463 -9.246 1.00 50.41 H new ATOM 0 HA LEU B 77 -2.878 -0.152 -7.065 1.00 2.01 H new ATOM 0 HB2 LEU B 77 -5.263 -0.732 -7.233 1.00 41.13 H new ATOM 0 HB3 LEU B 77 -4.878 -2.441 -7.252 1.00 41.13 H new ATOM 0 HG LEU B 77 -4.087 -2.332 -4.928 1.00 44.20 H new ATOM 0 HD11 LEU B 77 -4.402 -0.328 -3.521 1.00 62.22 H new ATOM 0 HD12 LEU B 77 -3.212 -0.065 -4.817 1.00 62.22 H new ATOM 0 HD13 LEU B 77 -4.853 0.606 -4.967 1.00 62.22 H new ATOM 0 HD21 LEU B 77 -6.281 -1.890 -3.831 1.00 54.21 H new ATOM 0 HD22 LEU B 77 -6.843 -1.083 -5.315 1.00 54.21 H new ATOM 0 HD23 LEU B 77 -6.462 -2.822 -5.336 1.00 54.21 H new ATOM 1364 N LEU B 78 -2.013 -3.347 -7.409 1.00 12.24 N ATOM 1365 CA LEU B 78 -0.947 -4.342 -7.100 1.00 44.21 C ATOM 1366 C LEU B 78 0.447 -3.733 -7.342 1.00 42.32 C ATOM 1367 O LEU B 78 1.378 -3.924 -6.551 1.00 73.03 O ATOM 1368 CB LEU B 78 -1.125 -5.601 -7.998 1.00 3.30 C ATOM 1369 CG LEU B 78 -0.141 -6.798 -7.771 1.00 74.53 C ATOM 1370 CD1 LEU B 78 -0.269 -7.397 -6.352 1.00 74.22 C ATOM 1371 CD2 LEU B 78 -0.341 -7.879 -8.858 1.00 50.24 C ATOM 0 H LEU B 78 -2.681 -3.674 -8.107 1.00 12.24 H new ATOM 0 HA LEU B 78 -1.031 -4.625 -6.051 1.00 44.21 H new ATOM 0 HB2 LEU B 78 -2.141 -5.971 -7.861 1.00 3.30 H new ATOM 0 HB3 LEU B 78 -1.038 -5.287 -9.038 1.00 3.30 H new ATOM 0 HG LEU B 78 0.874 -6.409 -7.856 1.00 74.53 H new ATOM 0 HD11 LEU B 78 0.433 -8.224 -6.241 1.00 74.22 H new ATOM 0 HD12 LEU B 78 -0.045 -6.629 -5.611 1.00 74.22 H new ATOM 0 HD13 LEU B 78 -1.285 -7.761 -6.201 1.00 74.22 H new ATOM 0 HD21 LEU B 78 0.351 -8.703 -8.684 1.00 50.24 H new ATOM 0 HD22 LEU B 78 -1.365 -8.251 -8.817 1.00 50.24 H new ATOM 0 HD23 LEU B 78 -0.151 -7.447 -9.840 1.00 50.24 H new ATOM 1383 N SER B 79 0.549 -2.964 -8.435 1.00 15.40 N ATOM 1384 CA SER B 79 1.783 -2.290 -8.836 1.00 41.20 C ATOM 1385 C SER B 79 2.123 -1.128 -7.880 1.00 31.15 C ATOM 1386 O SER B 79 3.298 -0.883 -7.621 1.00 60.43 O ATOM 1387 CB SER B 79 1.654 -1.789 -10.287 1.00 23.33 C ATOM 1388 OG SER B 79 1.396 -2.867 -11.167 1.00 2.41 O ATOM 0 H SER B 79 -0.232 -2.793 -9.068 1.00 15.40 H new ATOM 0 HA SER B 79 2.603 -3.006 -8.780 1.00 41.20 H new ATOM 0 HB2 SER B 79 0.849 -1.057 -10.354 1.00 23.33 H new ATOM 0 HB3 SER B 79 2.572 -1.281 -10.585 1.00 23.33 H new ATOM 0 HG SER B 79 0.478 -3.184 -11.036 1.00 2.41 H new ATOM 1394 N VAL B 80 1.084 -0.441 -7.341 1.00 1.41 N ATOM 1395 CA VAL B 80 1.269 0.667 -6.382 1.00 10.44 C ATOM 1396 C VAL B 80 1.832 0.127 -5.062 1.00 0.12 C ATOM 1397 O VAL B 80 2.710 0.757 -4.465 1.00 51.44 O ATOM 1398 CB VAL B 80 -0.065 1.460 -6.099 1.00 41.22 C ATOM 1399 CG1 VAL B 80 0.149 2.598 -5.075 1.00 11.10 C ATOM 1400 CG2 VAL B 80 -0.667 2.026 -7.395 1.00 23.23 C ATOM 0 H VAL B 80 0.107 -0.640 -7.558 1.00 1.41 H new ATOM 0 HA VAL B 80 1.972 1.365 -6.837 1.00 10.44 H new ATOM 0 HB VAL B 80 -0.768 0.746 -5.671 1.00 41.22 H new ATOM 0 HG11 VAL B 80 -0.794 3.119 -4.908 1.00 11.10 H new ATOM 0 HG12 VAL B 80 0.503 2.178 -4.133 1.00 11.10 H new ATOM 0 HG13 VAL B 80 0.888 3.300 -5.460 1.00 11.10 H new ATOM 0 HG21 VAL B 80 -1.585 2.566 -7.164 1.00 23.23 H new ATOM 0 HG22 VAL B 80 0.047 2.705 -7.861 1.00 23.23 H new ATOM 0 HG23 VAL B 80 -0.890 1.208 -8.080 1.00 23.23 H new ATOM 1410 N ILE B 81 1.330 -1.054 -4.628 1.00 14.03 N ATOM 1411 CA ILE B 81 1.854 -1.765 -3.443 1.00 54.41 C ATOM 1412 C ILE B 81 3.385 -1.940 -3.562 1.00 2.24 C ATOM 1413 O ILE B 81 4.132 -1.687 -2.622 1.00 11.40 O ATOM 1414 CB ILE B 81 1.180 -3.176 -3.242 1.00 4.24 C ATOM 1415 CG1 ILE B 81 -0.385 -3.098 -3.265 1.00 25.21 C ATOM 1416 CG2 ILE B 81 1.666 -3.831 -1.940 1.00 41.24 C ATOM 1417 CD1 ILE B 81 -1.025 -2.108 -2.298 1.00 73.42 C ATOM 0 H ILE B 81 0.557 -1.535 -5.087 1.00 14.03 H new ATOM 0 HA ILE B 81 1.612 -1.155 -2.573 1.00 54.41 H new ATOM 0 HB ILE B 81 1.485 -3.796 -4.085 1.00 4.24 H new ATOM 0 HG12 ILE B 81 -0.700 -2.841 -4.276 1.00 25.21 H new ATOM 0 HG13 ILE B 81 -0.780 -4.091 -3.050 1.00 25.21 H new ATOM 0 HG21 ILE B 81 1.188 -4.803 -1.822 1.00 41.24 H new ATOM 0 HG22 ILE B 81 2.748 -3.961 -1.980 1.00 41.24 H new ATOM 0 HG23 ILE B 81 1.408 -3.194 -1.094 1.00 41.24 H new ATOM 0 HD11 ILE B 81 -2.109 -2.144 -2.405 1.00 73.42 H new ATOM 0 HD12 ILE B 81 -0.753 -2.370 -1.276 1.00 73.42 H new ATOM 0 HD13 ILE B 81 -0.671 -1.101 -2.521 1.00 73.42 H new ATOM 1429 N GLU B 82 3.818 -2.301 -4.775 1.00 62.13 N ATOM 1430 CA GLU B 82 5.227 -2.554 -5.093 1.00 24.23 C ATOM 1431 C GLU B 82 6.044 -1.269 -5.311 1.00 71.55 C ATOM 1432 O GLU B 82 7.253 -1.265 -5.057 1.00 3.04 O ATOM 1433 CB GLU B 82 5.305 -3.488 -6.320 1.00 72.11 C ATOM 1434 CG GLU B 82 4.756 -4.904 -6.052 1.00 20.34 C ATOM 1435 CD GLU B 82 5.433 -5.584 -4.846 1.00 44.35 C ATOM 1436 OE1 GLU B 82 6.559 -6.100 -5.007 1.00 13.23 O ATOM 1437 OE2 GLU B 82 4.859 -5.588 -3.734 1.00 1.40 O ATOM 0 H GLU B 82 3.193 -2.427 -5.571 1.00 62.13 H new ATOM 0 HA GLU B 82 5.682 -3.038 -4.229 1.00 24.23 H new ATOM 0 HB2 GLU B 82 4.748 -3.041 -7.143 1.00 72.11 H new ATOM 0 HB3 GLU B 82 6.343 -3.565 -6.643 1.00 72.11 H new ATOM 0 HG2 GLU B 82 3.682 -4.846 -5.876 1.00 20.34 H new ATOM 0 HG3 GLU B 82 4.900 -5.520 -6.940 1.00 20.34 H new ATOM 1444 N GLU B 83 5.399 -0.187 -5.789 1.00 61.04 N ATOM 1445 CA GLU B 83 6.065 1.128 -5.920 1.00 24.10 C ATOM 1446 C GLU B 83 6.393 1.684 -4.533 1.00 1.45 C ATOM 1447 O GLU B 83 7.458 2.282 -4.319 1.00 2.34 O ATOM 1448 CB GLU B 83 5.185 2.131 -6.712 1.00 1.44 C ATOM 1449 CG GLU B 83 4.980 1.763 -8.195 1.00 75.12 C ATOM 1450 CD GLU B 83 6.301 1.546 -8.962 1.00 12.01 C ATOM 1451 OE1 GLU B 83 6.945 2.541 -9.345 1.00 75.12 O ATOM 1452 OE2 GLU B 83 6.707 0.388 -9.169 1.00 55.32 O ATOM 0 H GLU B 83 4.424 -0.195 -6.089 1.00 61.04 H new ATOM 0 HA GLU B 83 6.990 0.988 -6.479 1.00 24.10 H new ATOM 0 HB2 GLU B 83 4.210 2.201 -6.229 1.00 1.44 H new ATOM 0 HB3 GLU B 83 5.641 3.120 -6.655 1.00 1.44 H new ATOM 0 HG2 GLU B 83 4.380 0.855 -8.257 1.00 75.12 H new ATOM 0 HG3 GLU B 83 4.411 2.555 -8.683 1.00 75.12 H new ATOM 1459 N MET B 84 5.467 1.450 -3.592 1.00 65.12 N ATOM 1460 CA MET B 84 5.630 1.838 -2.195 1.00 23.04 C ATOM 1461 C MET B 84 6.713 0.966 -1.544 1.00 44.54 C ATOM 1462 O MET B 84 7.704 1.487 -1.028 1.00 52.35 O ATOM 1463 CB MET B 84 4.271 1.732 -1.441 1.00 65.13 C ATOM 1464 CG MET B 84 3.211 2.725 -1.943 1.00 35.43 C ATOM 1465 SD MET B 84 1.671 2.685 -0.996 1.00 45.45 S ATOM 1466 CE MET B 84 1.065 1.023 -1.258 1.00 62.14 C ATOM 0 H MET B 84 4.581 0.983 -3.786 1.00 65.12 H new ATOM 0 HA MET B 84 5.951 2.878 -2.138 1.00 23.04 H new ATOM 0 HB2 MET B 84 3.885 0.718 -1.545 1.00 65.13 H new ATOM 0 HB3 MET B 84 4.441 1.901 -0.378 1.00 65.13 H new ATOM 0 HG2 MET B 84 3.624 3.733 -1.906 1.00 35.43 H new ATOM 0 HG3 MET B 84 2.990 2.509 -2.988 1.00 35.43 H new ATOM 0 HE1 MET B 84 0.108 0.901 -0.751 1.00 62.14 H new ATOM 0 HE2 MET B 84 0.936 0.847 -2.326 1.00 62.14 H new ATOM 0 HE3 MET B 84 1.782 0.307 -0.857 1.00 62.14 H new ATOM 1476 N GLY B 85 6.551 -0.367 -1.690 1.00 53.32 N ATOM 1477 CA GLY B 85 7.476 -1.371 -1.132 1.00 64.22 C ATOM 1478 C GLY B 85 8.916 -1.205 -1.590 1.00 23.11 C ATOM 1479 O GLY B 85 9.846 -1.614 -0.901 1.00 65.22 O ATOM 0 H GLY B 85 5.769 -0.777 -2.202 1.00 53.32 H new ATOM 0 HA2 GLY B 85 7.443 -1.316 -0.044 1.00 64.22 H new ATOM 0 HA3 GLY B 85 7.129 -2.366 -1.412 1.00 64.22 H new ATOM 1483 N LYS B 86 9.073 -0.576 -2.756 1.00 71.42 N ATOM 1484 CA LYS B 86 10.374 -0.271 -3.363 1.00 15.11 C ATOM 1485 C LYS B 86 11.007 0.944 -2.659 1.00 45.35 C ATOM 1486 O LYS B 86 12.161 0.901 -2.216 1.00 33.41 O ATOM 1487 CB LYS B 86 10.138 0.027 -4.866 1.00 3.53 C ATOM 1488 CG LYS B 86 11.374 0.423 -5.699 1.00 55.44 C ATOM 1489 CD LYS B 86 10.969 0.893 -7.116 1.00 54.25 C ATOM 1490 CE LYS B 86 12.157 1.327 -7.975 1.00 1.10 C ATOM 1491 NZ LYS B 86 11.714 1.878 -9.287 1.00 53.02 N ATOM 0 H LYS B 86 8.284 -0.257 -3.318 1.00 71.42 H new ATOM 0 HA LYS B 86 11.058 -1.113 -3.255 1.00 15.11 H new ATOM 0 HB2 LYS B 86 9.690 -0.856 -5.321 1.00 3.53 H new ATOM 0 HB3 LYS B 86 9.405 0.831 -4.942 1.00 3.53 H new ATOM 0 HG2 LYS B 86 11.918 1.219 -5.191 1.00 55.44 H new ATOM 0 HG3 LYS B 86 12.052 -0.427 -5.775 1.00 55.44 H new ATOM 0 HD2 LYS B 86 10.441 0.085 -7.622 1.00 54.25 H new ATOM 0 HD3 LYS B 86 10.270 1.725 -7.029 1.00 54.25 H new ATOM 0 HE2 LYS B 86 12.737 2.080 -7.441 1.00 1.10 H new ATOM 0 HE3 LYS B 86 12.817 0.475 -8.142 1.00 1.10 H new ATOM 0 HZ1 LYS B 86 12.546 2.162 -9.843 1.00 53.02 H new ATOM 0 HZ2 LYS B 86 11.182 1.151 -9.807 1.00 53.02 H new ATOM 0 HZ3 LYS B 86 11.105 2.706 -9.128 1.00 53.02 H new ATOM 1505 N GLU B 87 10.201 2.022 -2.530 1.00 64.14 N ATOM 1506 CA GLU B 87 10.660 3.333 -2.029 1.00 60.23 C ATOM 1507 C GLU B 87 10.620 3.452 -0.495 1.00 4.11 C ATOM 1508 O GLU B 87 10.860 4.536 0.036 1.00 45.04 O ATOM 1509 CB GLU B 87 9.857 4.475 -2.713 1.00 32.41 C ATOM 1510 CG GLU B 87 10.113 4.579 -4.237 1.00 0.13 C ATOM 1511 CD GLU B 87 9.599 5.874 -4.878 1.00 54.42 C ATOM 1512 OE1 GLU B 87 9.812 6.954 -4.296 1.00 23.01 O ATOM 1513 OE2 GLU B 87 8.990 5.822 -5.974 1.00 71.35 O ATOM 0 H GLU B 87 9.210 2.005 -2.772 1.00 64.14 H new ATOM 0 HA GLU B 87 11.712 3.427 -2.297 1.00 60.23 H new ATOM 0 HB2 GLU B 87 8.793 4.314 -2.541 1.00 32.41 H new ATOM 0 HB3 GLU B 87 10.116 5.424 -2.243 1.00 32.41 H new ATOM 0 HG2 GLU B 87 11.185 4.498 -4.420 1.00 0.13 H new ATOM 0 HG3 GLU B 87 9.640 3.730 -4.731 1.00 0.13 H new ATOM 1520 N ILE B 88 10.388 2.329 0.217 1.00 64.42 N ATOM 1521 CA ILE B 88 10.508 2.288 1.688 1.00 52.31 C ATOM 1522 C ILE B 88 11.998 2.407 2.096 1.00 74.45 C ATOM 1523 O ILE B 88 12.322 2.985 3.143 1.00 22.21 O ATOM 1524 CB ILE B 88 9.862 0.977 2.287 1.00 5.31 C ATOM 1525 CG1 ILE B 88 8.328 0.957 2.015 1.00 30.44 C ATOM 1526 CG2 ILE B 88 10.153 0.826 3.804 1.00 65.25 C ATOM 1527 CD1 ILE B 88 7.602 -0.290 2.482 1.00 63.41 C ATOM 0 H ILE B 88 10.117 1.440 -0.203 1.00 64.42 H new ATOM 0 HA ILE B 88 9.958 3.134 2.101 1.00 52.31 H new ATOM 0 HB ILE B 88 10.321 0.125 1.786 1.00 5.31 H new ATOM 0 HG12 ILE B 88 7.878 1.823 2.501 1.00 30.44 H new ATOM 0 HG13 ILE B 88 8.164 1.073 0.944 1.00 30.44 H new ATOM 0 HG21 ILE B 88 9.690 -0.089 4.174 1.00 65.25 H new ATOM 0 HG22 ILE B 88 11.230 0.778 3.965 1.00 65.25 H new ATOM 0 HG23 ILE B 88 9.744 1.682 4.340 1.00 65.25 H new ATOM 0 HD11 ILE B 88 6.541 -0.204 2.246 1.00 63.41 H new ATOM 0 HD12 ILE B 88 8.016 -1.163 1.977 1.00 63.41 H new ATOM 0 HD13 ILE B 88 7.726 -0.401 3.559 1.00 63.41 H new ATOM 1539 N ARG B 89 12.898 1.886 1.231 1.00 11.24 N ATOM 1540 CA ARG B 89 14.350 1.845 1.507 1.00 0.43 C ATOM 1541 C ARG B 89 14.985 3.272 1.525 1.00 20.01 C ATOM 1542 O ARG B 89 15.608 3.627 2.535 1.00 4.35 O ATOM 1543 CB ARG B 89 15.097 0.899 0.518 1.00 61.15 C ATOM 1544 CG ARG B 89 14.439 -0.475 0.355 1.00 34.22 C ATOM 1545 CD ARG B 89 15.195 -1.401 -0.610 1.00 31.55 C ATOM 1546 NE ARG B 89 14.448 -2.644 -0.816 1.00 4.04 N ATOM 1547 CZ ARG B 89 14.950 -3.811 -1.216 1.00 33.23 C ATOM 1548 NH1 ARG B 89 16.249 -3.960 -1.481 1.00 22.55 N ATOM 1549 NH2 ARG B 89 14.136 -4.850 -1.317 1.00 61.51 N ATOM 0 H ARG B 89 12.640 1.485 0.329 1.00 11.24 H new ATOM 0 HA ARG B 89 14.469 1.431 2.508 1.00 0.43 H new ATOM 0 HB2 ARG B 89 15.154 1.382 -0.458 1.00 61.15 H new ATOM 0 HB3 ARG B 89 16.121 0.761 0.866 1.00 61.15 H new ATOM 0 HG2 ARG B 89 14.372 -0.956 1.331 1.00 34.22 H new ATOM 0 HG3 ARG B 89 13.419 -0.341 -0.005 1.00 34.22 H new ATOM 0 HD2 ARG B 89 15.345 -0.897 -1.565 1.00 31.55 H new ATOM 0 HD3 ARG B 89 16.183 -1.626 -0.209 1.00 31.55 H new ATOM 0 HE ARG B 89 13.445 -2.613 -0.635 1.00 4.04 H new ATOM 0 HH11 ARG B 89 16.884 -3.169 -1.379 1.00 22.55 H new ATOM 0 HH12 ARG B 89 16.607 -4.865 -1.786 1.00 22.55 H new ATOM 0 HH21 ARG B 89 13.147 -4.747 -1.091 1.00 61.51 H new ATOM 0 HH22 ARG B 89 14.498 -5.754 -1.621 1.00 61.51 H new ATOM 1563 N PRO B 90 14.859 4.125 0.434 1.00 32.42 N ATOM 1564 CA PRO B 90 15.382 5.516 0.471 1.00 42.32 C ATOM 1565 C PRO B 90 14.640 6.411 1.502 1.00 70.34 C ATOM 1566 O PRO B 90 15.252 7.312 2.080 1.00 11.11 O ATOM 1567 CB PRO B 90 15.238 6.015 -0.990 1.00 51.51 C ATOM 1568 CG PRO B 90 14.188 5.141 -1.605 1.00 5.40 C ATOM 1569 CD PRO B 90 14.283 3.809 -0.907 1.00 42.25 C ATOM 0 HA PRO B 90 16.417 5.559 0.812 1.00 42.32 H new ATOM 0 HB2 PRO B 90 14.943 7.064 -1.020 1.00 51.51 H new ATOM 0 HB3 PRO B 90 16.182 5.933 -1.528 1.00 51.51 H new ATOM 0 HG2 PRO B 90 13.197 5.576 -1.478 1.00 5.40 H new ATOM 0 HG3 PRO B 90 14.353 5.031 -2.677 1.00 5.40 H new ATOM 0 HD2 PRO B 90 13.304 3.338 -0.817 1.00 42.25 H new ATOM 0 HD3 PRO B 90 14.920 3.117 -1.459 1.00 42.25 H new ATOM 1577 N THR B 91 13.340 6.125 1.759 1.00 42.43 N ATOM 1578 CA THR B 91 12.571 6.763 2.865 1.00 3.32 C ATOM 1579 C THR B 91 13.269 6.516 4.221 1.00 53.43 C ATOM 1580 O THR B 91 13.512 7.450 4.999 1.00 20.51 O ATOM 1581 CB THR B 91 11.104 6.225 2.921 1.00 13.10 C ATOM 1582 OG1 THR B 91 10.413 6.640 1.740 1.00 22.13 O ATOM 1583 CG2 THR B 91 10.330 6.707 4.169 1.00 42.15 C ATOM 0 H THR B 91 12.797 5.454 1.215 1.00 42.43 H new ATOM 0 HA THR B 91 12.537 7.834 2.668 1.00 3.32 H new ATOM 0 HB THR B 91 11.157 5.138 2.983 1.00 13.10 H new ATOM 0 HG1 THR B 91 10.384 5.898 1.100 1.00 22.13 H new ATOM 0 HG21 THR B 91 9.319 6.300 4.150 1.00 42.15 H new ATOM 0 HG22 THR B 91 10.842 6.366 5.069 1.00 42.15 H new ATOM 0 HG23 THR B 91 10.283 7.796 4.170 1.00 42.15 H new ATOM 1591 N TYR B 92 13.629 5.243 4.445 1.00 75.34 N ATOM 1592 CA TYR B 92 14.343 4.784 5.644 1.00 10.30 C ATOM 1593 C TYR B 92 15.783 5.342 5.689 1.00 54.10 C ATOM 1594 O TYR B 92 16.391 5.420 6.759 1.00 73.15 O ATOM 1595 CB TYR B 92 14.333 3.231 5.670 1.00 40.22 C ATOM 1596 CG TYR B 92 14.987 2.599 6.906 1.00 64.11 C ATOM 1597 CD1 TYR B 92 14.409 2.727 8.167 1.00 42.31 C ATOM 1598 CD2 TYR B 92 16.179 1.875 6.813 1.00 62.44 C ATOM 1599 CE1 TYR B 92 14.992 2.168 9.277 1.00 74.11 C ATOM 1600 CE2 TYR B 92 16.768 1.319 7.926 1.00 74.34 C ATOM 1601 CZ TYR B 92 16.170 1.463 9.153 1.00 23.10 C ATOM 1602 OH TYR B 92 16.761 0.906 10.261 1.00 75.35 O ATOM 0 H TYR B 92 13.428 4.491 3.786 1.00 75.34 H new ATOM 0 HA TYR B 92 13.836 5.160 6.533 1.00 10.30 H new ATOM 0 HB2 TYR B 92 13.300 2.888 5.609 1.00 40.22 H new ATOM 0 HB3 TYR B 92 14.844 2.864 4.780 1.00 40.22 H new ATOM 0 HD1 TYR B 92 13.485 3.276 8.273 1.00 42.31 H new ATOM 0 HD2 TYR B 92 16.648 1.749 5.848 1.00 62.44 H new ATOM 0 HE1 TYR B 92 14.528 2.280 10.246 1.00 74.11 H new ATOM 0 HE2 TYR B 92 17.695 0.773 7.834 1.00 74.34 H new ATOM 0 HH TYR B 92 17.583 0.444 9.996 1.00 75.35 H new ATOM 1612 N ALA B 93 16.312 5.745 4.519 1.00 34.32 N ATOM 1613 CA ALA B 93 17.670 6.310 4.392 1.00 35.33 C ATOM 1614 C ALA B 93 17.674 7.837 4.599 1.00 41.03 C ATOM 1615 O ALA B 93 18.735 8.472 4.565 1.00 65.33 O ATOM 1616 CB ALA B 93 18.250 5.945 3.018 1.00 51.42 C ATOM 0 H ALA B 93 15.810 5.688 3.633 1.00 34.32 H new ATOM 0 HA ALA B 93 18.296 5.880 5.174 1.00 35.33 H new ATOM 0 HB1 ALA B 93 19.253 6.362 2.924 1.00 51.42 H new ATOM 0 HB2 ALA B 93 18.297 4.860 2.919 1.00 51.42 H new ATOM 0 HB3 ALA B 93 17.612 6.353 2.234 1.00 51.42 H new ATOM 1622 N GLY B 94 16.473 8.415 4.831 1.00 25.02 N ATOM 1623 CA GLY B 94 16.320 9.852 5.081 1.00 74.24 C ATOM 1624 C GLY B 94 16.008 10.685 3.839 1.00 44.12 C ATOM 1625 O GLY B 94 15.921 11.916 3.941 1.00 54.20 O ATOM 0 H GLY B 94 15.595 7.897 4.849 1.00 25.02 H new ATOM 0 HA2 GLY B 94 15.522 9.998 5.810 1.00 74.24 H new ATOM 0 HA3 GLY B 94 17.238 10.228 5.533 1.00 74.24 H new ATOM 1629 N SER B 95 15.865 10.042 2.664 1.00 34.33 N ATOM 1630 CA SER B 95 15.441 10.735 1.424 1.00 0.02 C ATOM 1631 C SER B 95 13.967 11.197 1.515 1.00 1.22 C ATOM 1632 O SER B 95 13.045 10.387 1.350 1.00 53.32 O ATOM 1633 CB SER B 95 15.645 9.822 0.190 1.00 45.22 C ATOM 1634 OG SER B 95 16.973 9.335 0.118 1.00 11.33 O ATOM 0 H SER B 95 16.036 9.044 2.544 1.00 34.33 H new ATOM 0 HA SER B 95 16.066 11.621 1.309 1.00 0.02 H new ATOM 0 HB2 SER B 95 14.951 8.983 0.238 1.00 45.22 H new ATOM 0 HB3 SER B 95 15.411 10.378 -0.718 1.00 45.22 H new ATOM 0 HG SER B 95 17.069 8.761 -0.670 1.00 11.33 H new ATOM 1640 N LYS B 96 13.774 12.506 1.810 1.00 71.22 N ATOM 1641 CA LYS B 96 12.440 13.151 1.894 1.00 1.02 C ATOM 1642 C LYS B 96 11.610 12.974 0.609 1.00 22.15 C ATOM 1643 O LYS B 96 10.387 12.803 0.680 1.00 14.44 O ATOM 1644 CB LYS B 96 12.587 14.662 2.222 1.00 45.02 C ATOM 1645 CG LYS B 96 13.499 15.455 1.258 1.00 31.43 C ATOM 1646 CD LYS B 96 13.413 16.995 1.428 1.00 64.53 C ATOM 1647 CE LYS B 96 12.185 17.629 0.728 1.00 14.33 C ATOM 1648 NZ LYS B 96 10.872 17.162 1.263 1.00 42.12 N ATOM 0 H LYS B 96 14.544 13.148 1.997 1.00 71.22 H new ATOM 0 HA LYS B 96 11.902 12.650 2.699 1.00 1.02 H new ATOM 0 HB2 LYS B 96 11.597 15.117 2.218 1.00 45.02 H new ATOM 0 HB3 LYS B 96 12.979 14.762 3.234 1.00 45.02 H new ATOM 0 HG2 LYS B 96 14.531 15.140 1.410 1.00 31.43 H new ATOM 0 HG3 LYS B 96 13.236 15.198 0.232 1.00 31.43 H new ATOM 0 HD2 LYS B 96 13.378 17.233 2.491 1.00 64.53 H new ATOM 0 HD3 LYS B 96 14.321 17.447 1.030 1.00 64.53 H new ATOM 0 HE2 LYS B 96 12.242 18.713 0.829 1.00 14.33 H new ATOM 0 HE3 LYS B 96 12.232 17.405 -0.338 1.00 14.33 H new ATOM 0 HZ1 LYS B 96 10.150 17.892 1.097 1.00 42.12 H new ATOM 0 HZ2 LYS B 96 10.594 16.283 0.781 1.00 42.12 H new ATOM 0 HZ3 LYS B 96 10.956 16.985 2.284 1.00 42.12 H new ATOM 1662 N SER B 97 12.300 13.002 -0.543 1.00 41.55 N ATOM 1663 CA SER B 97 11.685 12.878 -1.867 1.00 55.23 C ATOM 1664 C SER B 97 10.959 11.526 -2.013 1.00 44.22 C ATOM 1665 O SER B 97 9.806 11.479 -2.436 1.00 31.34 O ATOM 1666 CB SER B 97 12.763 13.039 -2.960 1.00 33.11 C ATOM 1667 OG SER B 97 12.226 12.875 -4.261 1.00 64.32 O ATOM 0 H SER B 97 13.313 13.113 -0.577 1.00 41.55 H new ATOM 0 HA SER B 97 10.942 13.668 -1.983 1.00 55.23 H new ATOM 0 HB2 SER B 97 13.219 14.026 -2.877 1.00 33.11 H new ATOM 0 HB3 SER B 97 13.555 12.307 -2.799 1.00 33.11 H new ATOM 0 HG SER B 97 12.938 12.986 -4.925 1.00 64.32 H new ATOM 1673 N ALA B 98 11.654 10.442 -1.625 1.00 41.12 N ATOM 1674 CA ALA B 98 11.107 9.076 -1.641 1.00 31.12 C ATOM 1675 C ALA B 98 9.956 8.912 -0.645 1.00 60.54 C ATOM 1676 O ALA B 98 9.005 8.184 -0.912 1.00 41.43 O ATOM 1677 CB ALA B 98 12.212 8.083 -1.319 1.00 40.52 C ATOM 0 H ALA B 98 12.616 10.491 -1.290 1.00 41.12 H new ATOM 0 HA ALA B 98 10.711 8.884 -2.638 1.00 31.12 H new ATOM 0 HB1 ALA B 98 11.807 7.071 -1.331 1.00 40.52 H new ATOM 0 HB2 ALA B 98 13.004 8.166 -2.064 1.00 40.52 H new ATOM 0 HB3 ALA B 98 12.619 8.299 -0.331 1.00 40.52 H new ATOM 1683 N MET B 99 10.076 9.595 0.508 1.00 24.21 N ATOM 1684 CA MET B 99 9.102 9.521 1.619 1.00 71.11 C ATOM 1685 C MET B 99 7.749 10.150 1.246 1.00 42.50 C ATOM 1686 O MET B 99 6.688 9.626 1.613 1.00 34.20 O ATOM 1687 CB MET B 99 9.726 10.192 2.872 1.00 62.22 C ATOM 1688 CG MET B 99 8.847 10.232 4.141 1.00 40.22 C ATOM 1689 SD MET B 99 7.552 11.484 4.077 1.00 40.21 S ATOM 1690 CE MET B 99 8.529 12.966 3.826 1.00 12.42 C ATOM 0 H MET B 99 10.859 10.221 0.699 1.00 24.21 H new ATOM 0 HA MET B 99 8.890 8.474 1.838 1.00 71.11 H new ATOM 0 HB2 MET B 99 10.651 9.669 3.114 1.00 62.22 H new ATOM 0 HB3 MET B 99 9.997 11.215 2.612 1.00 62.22 H new ATOM 0 HG2 MET B 99 8.389 9.254 4.288 1.00 40.22 H new ATOM 0 HG3 MET B 99 9.481 10.420 5.007 1.00 40.22 H new ATOM 0 HE1 MET B 99 8.075 13.797 4.365 1.00 12.42 H new ATOM 0 HE2 MET B 99 9.541 12.802 4.198 1.00 12.42 H new ATOM 0 HE3 MET B 99 8.567 13.201 2.762 1.00 12.42 H new ATOM 1700 N GLU B 100 7.790 11.275 0.518 1.00 21.12 N ATOM 1701 CA GLU B 100 6.569 11.968 0.068 1.00 2.30 C ATOM 1702 C GLU B 100 5.964 11.259 -1.162 1.00 30.33 C ATOM 1703 O GLU B 100 4.746 11.297 -1.357 1.00 44.02 O ATOM 1704 CB GLU B 100 6.848 13.474 -0.180 1.00 32.20 C ATOM 1705 CG GLU B 100 7.927 13.788 -1.234 1.00 75.32 C ATOM 1706 CD GLU B 100 8.400 15.254 -1.193 1.00 14.51 C ATOM 1707 OE1 GLU B 100 7.632 16.144 -1.616 1.00 31.21 O ATOM 1708 OE2 GLU B 100 9.533 15.528 -0.728 1.00 64.03 O ATOM 0 H GLU B 100 8.657 11.727 0.226 1.00 21.12 H new ATOM 0 HA GLU B 100 5.821 11.918 0.859 1.00 2.30 H new ATOM 0 HB2 GLU B 100 5.917 13.952 -0.486 1.00 32.20 H new ATOM 0 HB3 GLU B 100 7.145 13.930 0.764 1.00 32.20 H new ATOM 0 HG2 GLU B 100 8.783 13.131 -1.077 1.00 75.32 H new ATOM 0 HG3 GLU B 100 7.533 13.567 -2.226 1.00 75.32 H new ATOM 1715 N ARG B 101 6.818 10.573 -1.952 1.00 20.55 N ATOM 1716 CA ARG B 101 6.366 9.678 -3.039 1.00 54.12 C ATOM 1717 C ARG B 101 5.754 8.387 -2.453 1.00 64.54 C ATOM 1718 O ARG B 101 4.831 7.805 -3.031 1.00 14.04 O ATOM 1719 CB ARG B 101 7.547 9.339 -3.986 1.00 43.23 C ATOM 1720 CG ARG B 101 8.037 10.522 -4.854 1.00 4.24 C ATOM 1721 CD ARG B 101 9.297 10.191 -5.674 1.00 74.15 C ATOM 1722 NE ARG B 101 9.148 8.962 -6.472 1.00 40.34 N ATOM 1723 CZ ARG B 101 9.263 8.865 -7.803 1.00 41.10 C ATOM 1724 NH1 ARG B 101 9.559 9.930 -8.565 1.00 54.34 N ATOM 1725 NH2 ARG B 101 9.105 7.680 -8.368 1.00 0.44 N ATOM 0 H ARG B 101 7.832 10.623 -1.856 1.00 20.55 H new ATOM 0 HA ARG B 101 5.598 10.193 -3.616 1.00 54.12 H new ATOM 0 HB2 ARG B 101 8.382 8.974 -3.388 1.00 43.23 H new ATOM 0 HB3 ARG B 101 7.246 8.523 -4.643 1.00 43.23 H new ATOM 0 HG2 ARG B 101 7.238 10.822 -5.532 1.00 4.24 H new ATOM 0 HG3 ARG B 101 8.245 11.376 -4.209 1.00 4.24 H new ATOM 0 HD2 ARG B 101 9.523 11.025 -6.338 1.00 74.15 H new ATOM 0 HD3 ARG B 101 10.146 10.081 -5.000 1.00 74.15 H new ATOM 0 HE ARG B 101 8.937 8.104 -5.963 1.00 40.34 H new ATOM 0 HH11 ARG B 101 9.703 10.843 -8.132 1.00 54.34 H new ATOM 0 HH12 ARG B 101 9.640 9.827 -9.576 1.00 54.34 H new ATOM 0 HH21 ARG B 101 8.900 6.864 -7.792 1.00 0.44 H new ATOM 0 HH22 ARG B 101 9.188 7.582 -9.380 1.00 0.44 H new ATOM 1739 N LEU B 102 6.264 7.983 -1.270 1.00 44.31 N ATOM 1740 CA LEU B 102 5.790 6.794 -0.535 1.00 11.42 C ATOM 1741 C LEU B 102 4.379 7.058 0.022 1.00 24.51 C ATOM 1742 O LEU B 102 3.495 6.192 -0.054 1.00 1.51 O ATOM 1743 CB LEU B 102 6.797 6.432 0.605 1.00 72.34 C ATOM 1744 CG LEU B 102 6.478 5.168 1.467 1.00 24.31 C ATOM 1745 CD1 LEU B 102 6.314 3.921 0.606 1.00 75.10 C ATOM 1746 CD2 LEU B 102 7.550 4.938 2.544 1.00 61.33 C ATOM 0 H LEU B 102 7.021 8.477 -0.796 1.00 44.31 H new ATOM 0 HA LEU B 102 5.734 5.942 -1.213 1.00 11.42 H new ATOM 0 HB2 LEU B 102 7.780 6.295 0.156 1.00 72.34 H new ATOM 0 HB3 LEU B 102 6.870 7.288 1.276 1.00 72.34 H new ATOM 0 HG LEU B 102 5.527 5.358 1.965 1.00 24.31 H new ATOM 0 HD11 LEU B 102 6.093 3.065 1.244 1.00 75.10 H new ATOM 0 HD12 LEU B 102 5.495 4.070 -0.098 1.00 75.10 H new ATOM 0 HD13 LEU B 102 7.236 3.735 0.056 1.00 75.10 H new ATOM 0 HD21 LEU B 102 7.297 4.051 3.125 1.00 61.33 H new ATOM 0 HD22 LEU B 102 8.520 4.795 2.067 1.00 61.33 H new ATOM 0 HD23 LEU B 102 7.594 5.804 3.204 1.00 61.33 H new ATOM 1758 N LYS B 103 4.174 8.282 0.568 1.00 41.54 N ATOM 1759 CA LYS B 103 2.847 8.729 1.029 1.00 31.42 C ATOM 1760 C LYS B 103 1.890 8.956 -0.151 1.00 3.15 C ATOM 1761 O LYS B 103 0.716 8.631 -0.033 1.00 51.31 O ATOM 1762 CB LYS B 103 2.922 10.013 1.896 1.00 22.53 C ATOM 1763 CG LYS B 103 3.712 9.866 3.216 1.00 13.12 C ATOM 1764 CD LYS B 103 3.458 11.026 4.207 1.00 3.31 C ATOM 1765 CE LYS B 103 3.716 12.408 3.588 1.00 55.32 C ATOM 1766 NZ LYS B 103 5.126 12.583 3.170 1.00 10.45 N ATOM 0 H LYS B 103 4.913 8.973 0.697 1.00 41.54 H new ATOM 0 HA LYS B 103 2.458 7.925 1.653 1.00 31.42 H new ATOM 0 HB2 LYS B 103 3.378 10.807 1.304 1.00 22.53 H new ATOM 0 HB3 LYS B 103 1.907 10.334 2.131 1.00 22.53 H new ATOM 0 HG2 LYS B 103 3.441 8.924 3.692 1.00 13.12 H new ATOM 0 HG3 LYS B 103 4.777 9.815 2.991 1.00 13.12 H new ATOM 0 HD2 LYS B 103 2.427 10.978 4.559 1.00 3.31 H new ATOM 0 HD3 LYS B 103 4.099 10.899 5.079 1.00 3.31 H new ATOM 0 HE2 LYS B 103 3.064 12.544 2.725 1.00 55.32 H new ATOM 0 HE3 LYS B 103 3.455 13.181 4.310 1.00 55.32 H new ATOM 0 HZ1 LYS B 103 5.568 13.330 3.743 1.00 10.45 H new ATOM 0 HZ2 LYS B 103 5.642 11.690 3.307 1.00 10.45 H new ATOM 0 HZ3 LYS B 103 5.160 12.852 2.166 1.00 10.45 H new ATOM 1780 N ARG B 104 2.387 9.512 -1.289 1.00 30.43 N ATOM 1781 CA ARG B 104 1.538 9.712 -2.489 1.00 75.11 C ATOM 1782 C ARG B 104 1.086 8.355 -3.042 1.00 2.32 C ATOM 1783 O ARG B 104 -0.004 8.243 -3.608 1.00 2.14 O ATOM 1784 CB ARG B 104 2.245 10.532 -3.608 1.00 12.33 C ATOM 1785 CG ARG B 104 1.328 10.828 -4.830 1.00 15.24 C ATOM 1786 CD ARG B 104 2.007 11.593 -5.982 1.00 60.44 C ATOM 1787 NE ARG B 104 1.055 11.828 -7.088 1.00 52.01 N ATOM 1788 CZ ARG B 104 1.348 12.303 -8.315 1.00 4.50 C ATOM 1789 NH1 ARG B 104 2.591 12.626 -8.655 1.00 72.11 N ATOM 1790 NH2 ARG B 104 0.370 12.458 -9.205 1.00 33.11 N ATOM 0 H ARG B 104 3.352 9.823 -1.398 1.00 30.43 H new ATOM 0 HA ARG B 104 0.674 10.294 -2.170 1.00 75.11 H new ATOM 0 HB2 ARG B 104 2.597 11.475 -3.190 1.00 12.33 H new ATOM 0 HB3 ARG B 104 3.125 9.986 -3.947 1.00 12.33 H new ATOM 0 HG2 ARG B 104 0.946 9.883 -5.216 1.00 15.24 H new ATOM 0 HG3 ARG B 104 0.468 11.404 -4.489 1.00 15.24 H new ATOM 0 HD2 ARG B 104 2.389 12.546 -5.616 1.00 60.44 H new ATOM 0 HD3 ARG B 104 2.863 11.025 -6.347 1.00 60.44 H new ATOM 0 HE ARG B 104 0.076 11.608 -6.904 1.00 52.01 H new ATOM 0 HH11 ARG B 104 3.349 12.516 -7.981 1.00 72.11 H new ATOM 0 HH12 ARG B 104 2.787 12.983 -9.590 1.00 72.11 H new ATOM 0 HH21 ARG B 104 -0.589 12.218 -8.955 1.00 33.11 H new ATOM 0 HH22 ARG B 104 0.580 12.817 -10.136 1.00 33.11 H new ATOM 1804 N GLY B 105 1.940 7.328 -2.857 1.00 33.11 N ATOM 1805 CA GLY B 105 1.588 5.958 -3.199 1.00 3.30 C ATOM 1806 C GLY B 105 0.355 5.477 -2.449 1.00 33.43 C ATOM 1807 O GLY B 105 -0.534 4.876 -3.034 1.00 11.24 O ATOM 0 H GLY B 105 2.878 7.434 -2.471 1.00 33.11 H new ATOM 0 HA2 GLY B 105 1.409 5.888 -4.272 1.00 3.30 H new ATOM 0 HA3 GLY B 105 2.428 5.301 -2.972 1.00 3.30 H new ATOM 1811 N ILE B 106 0.309 5.796 -1.151 1.00 52.24 N ATOM 1812 CA ILE B 106 -0.812 5.452 -0.262 1.00 34.31 C ATOM 1813 C ILE B 106 -2.051 6.329 -0.521 1.00 30.04 C ATOM 1814 O ILE B 106 -3.171 5.849 -0.418 1.00 0.31 O ATOM 1815 CB ILE B 106 -0.325 5.511 1.237 1.00 3.34 C ATOM 1816 CG1 ILE B 106 0.493 4.220 1.527 1.00 4.43 C ATOM 1817 CG2 ILE B 106 -1.476 5.719 2.253 1.00 2.21 C ATOM 1818 CD1 ILE B 106 1.116 4.127 2.883 1.00 73.30 C ATOM 0 H ILE B 106 1.056 6.306 -0.680 1.00 52.24 H new ATOM 0 HA ILE B 106 -1.134 4.433 -0.478 1.00 34.31 H new ATOM 0 HB ILE B 106 0.306 6.390 1.367 1.00 3.34 H new ATOM 0 HG12 ILE B 106 -0.163 3.360 1.391 1.00 4.43 H new ATOM 0 HG13 ILE B 106 1.283 4.139 0.780 1.00 4.43 H new ATOM 0 HG21 ILE B 106 -1.068 5.750 3.263 1.00 2.21 H new ATOM 0 HG22 ILE B 106 -1.985 6.659 2.038 1.00 2.21 H new ATOM 0 HG23 ILE B 106 -2.185 4.895 2.173 1.00 2.21 H new ATOM 0 HD11 ILE B 106 1.660 3.186 2.970 1.00 73.30 H new ATOM 0 HD12 ILE B 106 1.806 4.959 3.024 1.00 73.30 H new ATOM 0 HD13 ILE B 106 0.337 4.168 3.645 1.00 73.30 H new ATOM 1830 N ILE B 107 -1.832 7.598 -0.892 1.00 70.24 N ATOM 1831 CA ILE B 107 -2.924 8.517 -1.279 1.00 60.22 C ATOM 1832 C ILE B 107 -3.620 7.977 -2.552 1.00 10.40 C ATOM 1833 O ILE B 107 -4.858 7.924 -2.647 1.00 0.05 O ATOM 1834 CB ILE B 107 -2.369 9.983 -1.495 1.00 5.55 C ATOM 1835 CG1 ILE B 107 -1.823 10.559 -0.147 1.00 72.10 C ATOM 1836 CG2 ILE B 107 -3.437 10.921 -2.108 1.00 60.01 C ATOM 1837 CD1 ILE B 107 -1.128 11.909 -0.253 1.00 65.40 C ATOM 0 H ILE B 107 -0.904 8.018 -0.934 1.00 70.24 H new ATOM 0 HA ILE B 107 -3.660 8.567 -0.477 1.00 60.22 H new ATOM 0 HB ILE B 107 -1.548 9.926 -2.210 1.00 5.55 H new ATOM 0 HG12 ILE B 107 -2.653 10.650 0.554 1.00 72.10 H new ATOM 0 HG13 ILE B 107 -1.123 9.841 0.280 1.00 72.10 H new ATOM 0 HG21 ILE B 107 -3.014 11.917 -2.239 1.00 60.01 H new ATOM 0 HG22 ILE B 107 -3.752 10.530 -3.075 1.00 60.01 H new ATOM 0 HG23 ILE B 107 -4.298 10.977 -1.441 1.00 60.01 H new ATOM 0 HD11 ILE B 107 -0.786 12.221 0.734 1.00 65.40 H new ATOM 0 HD12 ILE B 107 -0.273 11.826 -0.924 1.00 65.40 H new ATOM 0 HD13 ILE B 107 -1.827 12.648 -0.645 1.00 65.40 H new ATOM 1849 N HIS B 108 -2.782 7.503 -3.481 1.00 62.33 N ATOM 1850 CA HIS B 108 -3.206 6.913 -4.753 1.00 25.15 C ATOM 1851 C HIS B 108 -3.929 5.578 -4.512 1.00 21.54 C ATOM 1852 O HIS B 108 -5.033 5.366 -5.018 1.00 73.34 O ATOM 1853 CB HIS B 108 -1.967 6.725 -5.670 1.00 31.11 C ATOM 1854 CG HIS B 108 -2.256 6.156 -7.032 1.00 42.25 C ATOM 1855 ND1 HIS B 108 -1.384 5.321 -7.688 1.00 41.03 N ATOM 1856 CD2 HIS B 108 -3.310 6.316 -7.866 1.00 42.50 C ATOM 1857 CE1 HIS B 108 -1.884 4.997 -8.855 1.00 33.53 C ATOM 1858 NE2 HIS B 108 -3.050 5.584 -8.987 1.00 44.25 N ATOM 0 H HIS B 108 -1.769 7.520 -3.366 1.00 62.33 H new ATOM 0 HA HIS B 108 -3.910 7.582 -5.249 1.00 25.15 H new ATOM 0 HB2 HIS B 108 -1.478 7.691 -5.794 1.00 31.11 H new ATOM 0 HB3 HIS B 108 -1.257 6.071 -5.164 1.00 31.11 H new ATOM 0 HD2 HIS B 108 -4.191 6.911 -7.679 1.00 42.50 H new ATOM 0 HE1 HIS B 108 -1.415 4.355 -9.586 1.00 33.53 H new ATOM 0 HE2 HIS B 108 -3.664 5.505 -9.798 1.00 44.25 H new ATOM 1867 N ALA B 109 -3.308 4.718 -3.692 1.00 74.00 N ATOM 1868 CA ALA B 109 -3.811 3.364 -3.419 1.00 13.24 C ATOM 1869 C ALA B 109 -5.132 3.402 -2.632 1.00 45.34 C ATOM 1870 O ALA B 109 -6.009 2.580 -2.865 1.00 54.34 O ATOM 1871 CB ALA B 109 -2.749 2.559 -2.669 1.00 51.23 C ATOM 0 H ALA B 109 -2.443 4.941 -3.200 1.00 74.00 H new ATOM 0 HA ALA B 109 -4.018 2.875 -4.371 1.00 13.24 H new ATOM 0 HB1 ALA B 109 -3.127 1.556 -2.469 1.00 51.23 H new ATOM 0 HB2 ALA B 109 -1.846 2.492 -3.277 1.00 51.23 H new ATOM 0 HB3 ALA B 109 -2.516 3.054 -1.726 1.00 51.23 H new ATOM 1877 N ARG B 110 -5.255 4.393 -1.727 1.00 62.20 N ATOM 1878 CA ARG B 110 -6.459 4.609 -0.884 1.00 62.24 C ATOM 1879 C ARG B 110 -7.671 4.899 -1.795 1.00 32.00 C ATOM 1880 O ARG B 110 -8.770 4.372 -1.580 1.00 65.04 O ATOM 1881 CB ARG B 110 -6.169 5.788 0.112 1.00 25.05 C ATOM 1882 CG ARG B 110 -7.019 5.883 1.411 1.00 14.14 C ATOM 1883 CD ARG B 110 -8.542 6.074 1.205 1.00 4.31 C ATOM 1884 NE ARG B 110 -9.292 6.286 2.460 1.00 42.10 N ATOM 1885 CZ ARG B 110 -9.320 5.460 3.524 1.00 42.13 C ATOM 1886 NH1 ARG B 110 -8.631 4.315 3.556 1.00 51.13 N ATOM 1887 NH2 ARG B 110 -10.082 5.776 4.556 1.00 2.13 N ATOM 0 H ARG B 110 -4.517 5.076 -1.555 1.00 62.20 H new ATOM 0 HA ARG B 110 -6.694 3.721 -0.298 1.00 62.24 H new ATOM 0 HB2 ARG B 110 -5.121 5.726 0.405 1.00 25.05 H new ATOM 0 HB3 ARG B 110 -6.292 6.723 -0.435 1.00 25.05 H new ATOM 0 HG2 ARG B 110 -6.861 4.976 1.994 1.00 14.14 H new ATOM 0 HG3 ARG B 110 -6.645 6.715 2.008 1.00 14.14 H new ATOM 0 HD2 ARG B 110 -8.706 6.927 0.546 1.00 4.31 H new ATOM 0 HD3 ARG B 110 -8.943 5.197 0.697 1.00 4.31 H new ATOM 0 HE ARG B 110 -9.843 7.142 2.528 1.00 42.10 H new ATOM 0 HH11 ARG B 110 -8.059 4.041 2.757 1.00 51.13 H new ATOM 0 HH12 ARG B 110 -8.677 3.715 4.380 1.00 51.13 H new ATOM 0 HH21 ARG B 110 -10.636 6.632 4.538 1.00 2.13 H new ATOM 0 HH22 ARG B 110 -10.117 5.163 5.371 1.00 2.13 H new ATOM 1901 N ALA B 111 -7.427 5.722 -2.832 1.00 64.23 N ATOM 1902 CA ALA B 111 -8.442 6.090 -3.830 1.00 54.12 C ATOM 1903 C ALA B 111 -8.833 4.877 -4.694 1.00 71.24 C ATOM 1904 O ALA B 111 -10.021 4.622 -4.909 1.00 22.52 O ATOM 1905 CB ALA B 111 -7.925 7.232 -4.711 1.00 61.11 C ATOM 0 H ALA B 111 -6.517 6.150 -2.999 1.00 64.23 H new ATOM 0 HA ALA B 111 -9.334 6.428 -3.303 1.00 54.12 H new ATOM 0 HB1 ALA B 111 -8.685 7.497 -5.447 1.00 61.11 H new ATOM 0 HB2 ALA B 111 -7.704 8.100 -4.089 1.00 61.11 H new ATOM 0 HB3 ALA B 111 -7.018 6.913 -5.225 1.00 61.11 H new ATOM 1911 N LEU B 112 -7.805 4.118 -5.145 1.00 4.01 N ATOM 1912 CA LEU B 112 -7.985 2.925 -6.000 1.00 73.51 C ATOM 1913 C LEU B 112 -8.871 1.871 -5.311 1.00 22.31 C ATOM 1914 O LEU B 112 -9.804 1.347 -5.930 1.00 22.24 O ATOM 1915 CB LEU B 112 -6.612 2.299 -6.378 1.00 70.13 C ATOM 1916 CG LEU B 112 -5.693 3.143 -7.320 1.00 12.51 C ATOM 1917 CD1 LEU B 112 -4.299 2.505 -7.444 1.00 12.34 C ATOM 1918 CD2 LEU B 112 -6.335 3.335 -8.712 1.00 22.22 C ATOM 0 H LEU B 112 -6.829 4.318 -4.925 1.00 4.01 H new ATOM 0 HA LEU B 112 -8.485 3.251 -6.912 1.00 73.51 H new ATOM 0 HB2 LEU B 112 -6.064 2.099 -5.457 1.00 70.13 H new ATOM 0 HB3 LEU B 112 -6.796 1.336 -6.855 1.00 70.13 H new ATOM 0 HG LEU B 112 -5.578 4.129 -6.870 1.00 12.51 H new ATOM 0 HD11 LEU B 112 -3.679 3.111 -8.105 1.00 12.34 H new ATOM 0 HD12 LEU B 112 -3.835 2.451 -6.459 1.00 12.34 H new ATOM 0 HD13 LEU B 112 -4.394 1.500 -7.856 1.00 12.34 H new ATOM 0 HD21 LEU B 112 -5.670 3.926 -9.341 1.00 22.22 H new ATOM 0 HD22 LEU B 112 -6.501 2.362 -9.173 1.00 22.22 H new ATOM 0 HD23 LEU B 112 -7.288 3.853 -8.605 1.00 22.22 H new ATOM 1930 N VAL B 113 -8.584 1.595 -4.021 1.00 24.34 N ATOM 1931 CA VAL B 113 -9.347 0.614 -3.241 1.00 1.53 C ATOM 1932 C VAL B 113 -10.803 1.090 -3.066 1.00 14.14 C ATOM 1933 O VAL B 113 -11.731 0.376 -3.437 1.00 40.55 O ATOM 1934 CB VAL B 113 -8.713 0.308 -1.827 1.00 10.31 C ATOM 1935 CG1 VAL B 113 -9.514 -0.782 -1.089 1.00 63.23 C ATOM 1936 CG2 VAL B 113 -7.232 -0.106 -1.929 1.00 51.33 C ATOM 0 H VAL B 113 -7.827 2.042 -3.503 1.00 24.34 H new ATOM 0 HA VAL B 113 -9.320 -0.317 -3.808 1.00 1.53 H new ATOM 0 HB VAL B 113 -8.760 1.235 -1.255 1.00 10.31 H new ATOM 0 HG11 VAL B 113 -9.057 -0.975 -0.118 1.00 63.23 H new ATOM 0 HG12 VAL B 113 -10.541 -0.445 -0.947 1.00 63.23 H new ATOM 0 HG13 VAL B 113 -9.511 -1.698 -1.679 1.00 63.23 H new ATOM 0 HG21 VAL B 113 -6.841 -0.306 -0.932 1.00 51.33 H new ATOM 0 HG22 VAL B 113 -7.147 -1.005 -2.539 1.00 51.33 H new ATOM 0 HG23 VAL B 113 -6.660 0.700 -2.389 1.00 51.33 H new ATOM 1946 N ARG B 114 -10.971 2.338 -2.588 1.00 42.11 N ATOM 1947 CA ARG B 114 -12.282 2.884 -2.165 1.00 44.31 C ATOM 1948 C ARG B 114 -13.284 3.006 -3.337 1.00 1.44 C ATOM 1949 O ARG B 114 -14.459 2.641 -3.200 1.00 64.13 O ATOM 1950 CB ARG B 114 -12.080 4.268 -1.495 1.00 13.34 C ATOM 1951 CG ARG B 114 -13.353 4.879 -0.862 1.00 1.34 C ATOM 1952 CD ARG B 114 -13.932 4.019 0.278 1.00 34.12 C ATOM 1953 NE ARG B 114 -15.103 4.649 0.909 1.00 35.30 N ATOM 1954 CZ ARG B 114 -15.883 4.074 1.842 1.00 62.11 C ATOM 1955 NH1 ARG B 114 -15.631 2.837 2.285 1.00 62.12 N ATOM 1956 NH2 ARG B 114 -16.920 4.745 2.331 1.00 43.22 N ATOM 0 H ARG B 114 -10.202 3.000 -2.483 1.00 42.11 H new ATOM 0 HA ARG B 114 -12.711 2.180 -1.452 1.00 44.31 H new ATOM 0 HB2 ARG B 114 -11.317 4.173 -0.722 1.00 13.34 H new ATOM 0 HB3 ARG B 114 -11.693 4.963 -2.240 1.00 13.34 H new ATOM 0 HG2 ARG B 114 -13.120 5.872 -0.478 1.00 1.34 H new ATOM 0 HG3 ARG B 114 -14.111 5.006 -1.635 1.00 1.34 H new ATOM 0 HD2 ARG B 114 -14.214 3.042 -0.114 1.00 34.12 H new ATOM 0 HD3 ARG B 114 -13.162 3.851 1.031 1.00 34.12 H new ATOM 0 HE ARG B 114 -15.342 5.596 0.616 1.00 35.30 H new ATOM 0 HH11 ARG B 114 -14.837 2.315 1.915 1.00 62.12 H new ATOM 0 HH12 ARG B 114 -16.233 2.416 2.993 1.00 62.12 H new ATOM 0 HH21 ARG B 114 -17.120 5.689 1.999 1.00 43.22 H new ATOM 0 HH22 ARG B 114 -17.517 4.317 3.039 1.00 43.22 H new ATOM 1970 N GLU B 115 -12.806 3.524 -4.479 1.00 3.21 N ATOM 1971 CA GLU B 115 -13.642 3.738 -5.679 1.00 3.33 C ATOM 1972 C GLU B 115 -14.021 2.403 -6.328 1.00 25.20 C ATOM 1973 O GLU B 115 -15.133 2.247 -6.846 1.00 34.23 O ATOM 1974 CB GLU B 115 -12.907 4.652 -6.681 1.00 41.43 C ATOM 1975 CG GLU B 115 -12.634 6.070 -6.146 1.00 40.34 C ATOM 1976 CD GLU B 115 -11.821 6.931 -7.118 1.00 63.15 C ATOM 1977 OE1 GLU B 115 -10.578 6.815 -7.124 1.00 50.11 O ATOM 1978 OE2 GLU B 115 -12.408 7.732 -7.876 1.00 61.31 O ATOM 0 H GLU B 115 -11.833 3.807 -4.600 1.00 3.21 H new ATOM 0 HA GLU B 115 -14.566 4.230 -5.375 1.00 3.33 H new ATOM 0 HB2 GLU B 115 -11.959 4.188 -6.953 1.00 41.43 H new ATOM 0 HB3 GLU B 115 -13.499 4.726 -7.593 1.00 41.43 H new ATOM 0 HG2 GLU B 115 -13.584 6.563 -5.940 1.00 40.34 H new ATOM 0 HG3 GLU B 115 -12.100 5.998 -5.199 1.00 40.34 H new ATOM 1985 N CYS B 116 -13.093 1.432 -6.292 1.00 43.44 N ATOM 1986 CA CYS B 116 -13.367 0.080 -6.787 1.00 5.01 C ATOM 1987 C CYS B 116 -14.220 -0.714 -5.774 1.00 1.10 C ATOM 1988 O CYS B 116 -14.841 -1.705 -6.143 1.00 3.15 O ATOM 1989 CB CYS B 116 -12.074 -0.651 -7.152 1.00 44.22 C ATOM 1990 SG CYS B 116 -12.324 -2.262 -7.930 1.00 53.44 S ATOM 0 H CYS B 116 -12.150 1.561 -5.925 1.00 43.44 H new ATOM 0 HA CYS B 116 -13.950 0.165 -7.704 1.00 5.01 H new ATOM 0 HB2 CYS B 116 -11.493 -0.022 -7.826 1.00 44.22 H new ATOM 0 HB3 CYS B 116 -11.479 -0.785 -6.249 1.00 44.22 H new ATOM 0 HG CYS B 116 -13.454 -2.766 -7.530 1.00 53.44 H new ATOM 1996 N LEU B 117 -14.240 -0.275 -4.494 1.00 51.01 N ATOM 1997 CA LEU B 117 -15.143 -0.840 -3.464 1.00 41.14 C ATOM 1998 C LEU B 117 -16.611 -0.414 -3.721 1.00 33.12 C ATOM 1999 O LEU B 117 -17.547 -1.129 -3.340 1.00 20.22 O ATOM 2000 CB LEU B 117 -14.711 -0.437 -2.019 1.00 74.04 C ATOM 2001 CG LEU B 117 -13.501 -1.209 -1.402 1.00 4.13 C ATOM 2002 CD1 LEU B 117 -13.057 -0.577 -0.067 1.00 60.23 C ATOM 2003 CD2 LEU B 117 -13.837 -2.696 -1.211 1.00 24.12 C ATOM 0 H LEU B 117 -13.638 0.472 -4.149 1.00 51.01 H new ATOM 0 HA LEU B 117 -15.071 -1.925 -3.541 1.00 41.14 H new ATOM 0 HB2 LEU B 117 -14.470 0.626 -2.021 1.00 74.04 H new ATOM 0 HB3 LEU B 117 -15.569 -0.568 -1.359 1.00 74.04 H new ATOM 0 HG LEU B 117 -12.670 -1.134 -2.103 1.00 4.13 H new ATOM 0 HD11 LEU B 117 -12.213 -1.136 0.338 1.00 60.23 H new ATOM 0 HD12 LEU B 117 -12.759 0.458 -0.236 1.00 60.23 H new ATOM 0 HD13 LEU B 117 -13.884 -0.605 0.642 1.00 60.23 H new ATOM 0 HD21 LEU B 117 -12.978 -3.211 -0.780 1.00 24.12 H new ATOM 0 HD22 LEU B 117 -14.692 -2.793 -0.541 1.00 24.12 H new ATOM 0 HD23 LEU B 117 -14.080 -3.141 -2.176 1.00 24.12 H new