USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=20 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: B 95 SER OG : rot 180:sc= 0.352 USER MOD Set 1.2: B 97 SER OG : rot -19:sc= 0.0306 USER MOD Set 2.1: A 84 MET CE :methyl -179:sc= -1.91! (180deg=-1.96!) USER MOD Set 2.2: B 84 MET CE :methyl -175:sc= -1.95! (180deg=-1.98!) USER MOD Single : A 75 THR OG1 : rot 22:sc= 0.154 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 81:sc=-0.00898 USER MOD Single : A 92 TYR OH : rot 180:sc= -1.61! USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -170:sc=-0.00626 (180deg=-0.125) USER MOD Single : A 97 SER OG : rot 180:sc=-0.00199 USER MOD Single : A 99 MET CE :methyl -155:sc= -0.217 (180deg=-0.824) USER MOD Single : A 103 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0589) USER MOD Single : A 108 HIS : no HD1:sc= -0.0388 X(o=-0.039,f=-0.47) USER MOD Single : B 75 THR OG1 : rot 35:sc= 0.133 USER MOD Single : B 79 SER OG : rot 180:sc= 0 USER MOD Single : B 86 LYS NZ :NH3+ 156:sc= 0.819 (180deg=0.491) USER MOD Single : B 91 THR OG1 : rot 81:sc= 0.421 USER MOD Single : B 92 TYR OH : rot 180:sc= -0.999 USER MOD Single : B 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 99 MET CE :methyl -140:sc= -0.266 (180deg=-1.35) USER MOD Single : B 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 108 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.062) USER MOD Single : B 116 CYS SG : rot 84:sc= 0.667 USER MOD ----------------------------------------------------------------- ATOM 241 N THR A 75 -12.223 -4.435 2.535 1.00 51.33 N ATOM 242 CA THR A 75 -12.099 -3.222 3.376 1.00 70.10 C ATOM 243 C THR A 75 -10.826 -3.301 4.250 1.00 0.30 C ATOM 244 O THR A 75 -10.263 -2.266 4.649 1.00 43.04 O ATOM 245 CB THR A 75 -13.348 -3.034 4.296 1.00 71.42 C ATOM 246 OG1 THR A 75 -14.536 -3.106 3.503 1.00 22.23 O ATOM 247 CG2 THR A 75 -13.332 -1.683 5.044 1.00 25.23 C ATOM 0 HA THR A 75 -12.031 -2.365 2.706 1.00 70.10 H new ATOM 0 HB THR A 75 -13.324 -3.830 5.041 1.00 71.42 H new ATOM 0 HG1 THR A 75 -14.347 -3.593 2.674 1.00 22.23 H new ATOM 0 HG21 THR A 75 -14.221 -1.603 5.669 1.00 25.23 H new ATOM 0 HG22 THR A 75 -12.442 -1.624 5.670 1.00 25.23 H new ATOM 0 HG23 THR A 75 -13.322 -0.867 4.321 1.00 25.23 H new ATOM 255 N ASP A 76 -10.381 -4.547 4.532 1.00 24.45 N ATOM 256 CA ASP A 76 -9.126 -4.811 5.247 1.00 1.34 C ATOM 257 C ASP A 76 -7.942 -4.210 4.481 1.00 25.04 C ATOM 258 O ASP A 76 -7.054 -3.642 5.092 1.00 14.30 O ATOM 259 CB ASP A 76 -8.924 -6.331 5.455 1.00 24.24 C ATOM 260 CG ASP A 76 -7.663 -6.679 6.266 1.00 4.14 C ATOM 261 OD1 ASP A 76 -7.653 -6.421 7.485 1.00 53.44 O ATOM 262 OD2 ASP A 76 -6.691 -7.240 5.709 1.00 52.14 O ATOM 0 H ASP A 76 -10.887 -5.392 4.267 1.00 24.45 H new ATOM 0 HA ASP A 76 -9.181 -4.339 6.228 1.00 1.34 H new ATOM 0 HB2 ASP A 76 -9.797 -6.739 5.964 1.00 24.24 H new ATOM 0 HB3 ASP A 76 -8.866 -6.818 4.482 1.00 24.24 H new ATOM 267 N LEU A 77 -7.986 -4.304 3.129 1.00 73.33 N ATOM 268 CA LEU A 77 -6.957 -3.719 2.248 1.00 33.30 C ATOM 269 C LEU A 77 -6.948 -2.187 2.353 1.00 65.14 C ATOM 270 O LEU A 77 -5.876 -1.588 2.443 1.00 51.22 O ATOM 271 CB LEU A 77 -7.161 -4.161 0.774 1.00 20.35 C ATOM 272 CG LEU A 77 -6.116 -3.595 -0.249 1.00 54.41 C ATOM 273 CD1 LEU A 77 -4.670 -3.908 0.168 1.00 10.13 C ATOM 274 CD2 LEU A 77 -6.394 -4.101 -1.672 1.00 71.32 C ATOM 0 H LEU A 77 -8.732 -4.785 2.626 1.00 73.33 H new ATOM 0 HA LEU A 77 -5.989 -4.091 2.582 1.00 33.30 H new ATOM 0 HB2 LEU A 77 -7.132 -5.250 0.732 1.00 20.35 H new ATOM 0 HB3 LEU A 77 -8.158 -3.856 0.456 1.00 20.35 H new ATOM 0 HG LEU A 77 -6.229 -2.511 -0.245 1.00 54.41 H new ATOM 0 HD11 LEU A 77 -3.981 -3.497 -0.570 1.00 10.13 H new ATOM 0 HD12 LEU A 77 -4.467 -3.462 1.142 1.00 10.13 H new ATOM 0 HD13 LEU A 77 -4.534 -4.988 0.229 1.00 10.13 H new ATOM 0 HD21 LEU A 77 -5.652 -3.690 -2.356 1.00 71.32 H new ATOM 0 HD22 LEU A 77 -6.339 -5.189 -1.688 1.00 71.32 H new ATOM 0 HD23 LEU A 77 -7.389 -3.783 -1.983 1.00 71.32 H new ATOM 286 N LEU A 78 -8.152 -1.577 2.359 1.00 61.01 N ATOM 287 CA LEU A 78 -8.315 -0.111 2.524 1.00 73.42 C ATOM 288 C LEU A 78 -7.666 0.361 3.842 1.00 44.04 C ATOM 289 O LEU A 78 -7.071 1.449 3.912 1.00 65.01 O ATOM 290 CB LEU A 78 -9.822 0.270 2.500 1.00 44.10 C ATOM 291 CG LEU A 78 -10.140 1.800 2.438 1.00 72.15 C ATOM 292 CD1 LEU A 78 -9.633 2.414 1.116 1.00 40.12 C ATOM 293 CD2 LEU A 78 -11.642 2.072 2.643 1.00 24.41 C ATOM 0 H LEU A 78 -9.033 -2.079 2.251 1.00 61.01 H new ATOM 0 HA LEU A 78 -7.814 0.387 1.694 1.00 73.42 H new ATOM 0 HB2 LEU A 78 -10.285 -0.213 1.639 1.00 44.10 H new ATOM 0 HB3 LEU A 78 -10.296 -0.144 3.390 1.00 44.10 H new ATOM 0 HG LEU A 78 -9.609 2.284 3.258 1.00 72.15 H new ATOM 0 HD11 LEU A 78 -9.866 3.479 1.096 1.00 40.12 H new ATOM 0 HD12 LEU A 78 -8.554 2.277 1.041 1.00 40.12 H new ATOM 0 HD13 LEU A 78 -10.120 1.921 0.275 1.00 40.12 H new ATOM 0 HD21 LEU A 78 -11.827 3.145 2.594 1.00 24.41 H new ATOM 0 HD22 LEU A 78 -12.213 1.569 1.862 1.00 24.41 H new ATOM 0 HD23 LEU A 78 -11.950 1.695 3.618 1.00 24.41 H new ATOM 305 N SER A 79 -7.783 -0.509 4.866 1.00 21.14 N ATOM 306 CA SER A 79 -7.166 -0.308 6.170 1.00 4.32 C ATOM 307 C SER A 79 -5.630 -0.413 6.077 1.00 55.30 C ATOM 308 O SER A 79 -4.941 0.459 6.600 1.00 14.24 O ATOM 309 CB SER A 79 -7.721 -1.325 7.187 1.00 31.33 C ATOM 310 OG SER A 79 -7.238 -1.073 8.497 1.00 40.45 O ATOM 0 H SER A 79 -8.316 -1.376 4.798 1.00 21.14 H new ATOM 0 HA SER A 79 -7.412 0.697 6.513 1.00 4.32 H new ATOM 0 HB2 SER A 79 -8.810 -1.283 7.186 1.00 31.33 H new ATOM 0 HB3 SER A 79 -7.441 -2.334 6.883 1.00 31.33 H new ATOM 0 HG SER A 79 -7.611 -1.735 9.116 1.00 40.45 H new ATOM 316 N VAL A 80 -5.113 -1.461 5.368 1.00 54.23 N ATOM 317 CA VAL A 80 -3.656 -1.712 5.236 1.00 12.53 C ATOM 318 C VAL A 80 -2.948 -0.476 4.667 1.00 11.01 C ATOM 319 O VAL A 80 -1.917 -0.059 5.191 1.00 32.34 O ATOM 320 CB VAL A 80 -3.303 -2.948 4.305 1.00 25.50 C ATOM 321 CG1 VAL A 80 -1.775 -3.199 4.250 1.00 44.55 C ATOM 322 CG2 VAL A 80 -4.028 -4.228 4.749 1.00 60.34 C ATOM 0 H VAL A 80 -5.692 -2.144 4.880 1.00 54.23 H new ATOM 0 HA VAL A 80 -3.311 -1.940 6.244 1.00 12.53 H new ATOM 0 HB VAL A 80 -3.651 -2.690 3.305 1.00 25.50 H new ATOM 0 HG11 VAL A 80 -1.569 -4.052 3.604 1.00 44.55 H new ATOM 0 HG12 VAL A 80 -1.275 -2.315 3.854 1.00 44.55 H new ATOM 0 HG13 VAL A 80 -1.404 -3.406 5.254 1.00 44.55 H new ATOM 0 HG21 VAL A 80 -3.758 -5.048 4.084 1.00 60.34 H new ATOM 0 HG22 VAL A 80 -3.736 -4.476 5.769 1.00 60.34 H new ATOM 0 HG23 VAL A 80 -5.106 -4.068 4.709 1.00 60.34 H new ATOM 332 N ILE A 81 -3.545 0.100 3.601 1.00 15.31 N ATOM 333 CA ILE A 81 -3.006 1.290 2.923 1.00 72.34 C ATOM 334 C ILE A 81 -2.817 2.460 3.911 1.00 3.33 C ATOM 335 O ILE A 81 -1.748 3.076 3.968 1.00 30.34 O ATOM 336 CB ILE A 81 -3.907 1.759 1.718 1.00 3.31 C ATOM 337 CG1 ILE A 81 -4.270 0.573 0.764 1.00 12.13 C ATOM 338 CG2 ILE A 81 -3.211 2.893 0.934 1.00 43.53 C ATOM 339 CD1 ILE A 81 -3.092 -0.203 0.191 1.00 40.24 C ATOM 0 H ILE A 81 -4.411 -0.249 3.190 1.00 15.31 H new ATOM 0 HA ILE A 81 -2.036 0.996 2.523 1.00 72.34 H new ATOM 0 HB ILE A 81 -4.840 2.138 2.134 1.00 3.31 H new ATOM 0 HG12 ILE A 81 -4.909 -0.123 1.308 1.00 12.13 H new ATOM 0 HG13 ILE A 81 -4.859 0.966 -0.065 1.00 12.13 H new ATOM 0 HG21 ILE A 81 -3.846 3.205 0.105 1.00 43.53 H new ATOM 0 HG22 ILE A 81 -3.037 3.740 1.597 1.00 43.53 H new ATOM 0 HG23 ILE A 81 -2.258 2.535 0.545 1.00 43.53 H new ATOM 0 HD11 ILE A 81 -3.461 -1.000 -0.455 1.00 40.24 H new ATOM 0 HD12 ILE A 81 -2.460 0.470 -0.388 1.00 40.24 H new ATOM 0 HD13 ILE A 81 -2.511 -0.635 1.005 1.00 40.24 H new ATOM 351 N GLU A 82 -3.856 2.700 4.721 1.00 71.34 N ATOM 352 CA GLU A 82 -3.888 3.797 5.699 1.00 44.21 C ATOM 353 C GLU A 82 -2.853 3.548 6.825 1.00 51.51 C ATOM 354 O GLU A 82 -2.149 4.475 7.240 1.00 31.43 O ATOM 355 CB GLU A 82 -5.340 3.929 6.256 1.00 54.32 C ATOM 356 CG GLU A 82 -5.670 5.230 7.048 1.00 15.23 C ATOM 357 CD GLU A 82 -5.083 5.298 8.471 1.00 22.25 C ATOM 358 OE1 GLU A 82 -5.385 4.403 9.282 1.00 51.31 O ATOM 359 OE2 GLU A 82 -4.342 6.250 8.790 1.00 14.12 O ATOM 0 H GLU A 82 -4.705 2.135 4.717 1.00 71.34 H new ATOM 0 HA GLU A 82 -3.613 4.737 5.221 1.00 44.21 H new ATOM 0 HB2 GLU A 82 -6.034 3.855 5.419 1.00 54.32 H new ATOM 0 HB3 GLU A 82 -5.534 3.076 6.907 1.00 54.32 H new ATOM 0 HG2 GLU A 82 -5.304 6.085 6.480 1.00 15.23 H new ATOM 0 HG3 GLU A 82 -6.753 5.331 7.114 1.00 15.23 H new ATOM 366 N GLU A 83 -2.746 2.284 7.276 1.00 32.52 N ATOM 367 CA GLU A 83 -1.819 1.885 8.359 1.00 14.54 C ATOM 368 C GLU A 83 -0.360 2.087 7.934 1.00 63.32 C ATOM 369 O GLU A 83 0.465 2.558 8.723 1.00 61.23 O ATOM 370 CB GLU A 83 -2.062 0.411 8.780 1.00 75.31 C ATOM 371 CG GLU A 83 -3.457 0.151 9.378 1.00 34.21 C ATOM 372 CD GLU A 83 -3.603 -1.256 9.959 1.00 70.32 C ATOM 373 OE1 GLU A 83 -3.960 -2.181 9.209 1.00 62.11 O ATOM 374 OE2 GLU A 83 -3.332 -1.450 11.170 1.00 33.14 O ATOM 0 H GLU A 83 -3.297 1.511 6.903 1.00 32.52 H new ATOM 0 HA GLU A 83 -2.016 2.525 9.219 1.00 14.54 H new ATOM 0 HB2 GLU A 83 -1.926 -0.231 7.910 1.00 75.31 H new ATOM 0 HB3 GLU A 83 -1.306 0.123 9.510 1.00 75.31 H new ATOM 0 HG2 GLU A 83 -3.654 0.884 10.161 1.00 34.21 H new ATOM 0 HG3 GLU A 83 -4.211 0.300 8.605 1.00 34.21 H new ATOM 381 N MET A 84 -0.057 1.724 6.677 1.00 0.02 N ATOM 382 CA MET A 84 1.258 1.968 6.071 1.00 44.54 C ATOM 383 C MET A 84 1.549 3.468 6.026 1.00 34.53 C ATOM 384 O MET A 84 2.660 3.899 6.337 1.00 61.34 O ATOM 385 CB MET A 84 1.335 1.353 4.652 1.00 24.32 C ATOM 386 CG MET A 84 1.228 -0.169 4.640 1.00 5.41 C ATOM 387 SD MET A 84 1.484 -0.886 3.010 1.00 71.24 S ATOM 388 CE MET A 84 0.167 -0.173 2.045 1.00 54.51 C ATOM 0 H MET A 84 -0.716 1.255 6.056 1.00 0.02 H new ATOM 0 HA MET A 84 2.016 1.485 6.687 1.00 44.54 H new ATOM 0 HB2 MET A 84 0.535 1.770 4.040 1.00 24.32 H new ATOM 0 HB3 MET A 84 2.277 1.646 4.188 1.00 24.32 H new ATOM 0 HG2 MET A 84 1.962 -0.584 5.331 1.00 5.41 H new ATOM 0 HG3 MET A 84 0.244 -0.460 5.007 1.00 5.41 H new ATOM 0 HE1 MET A 84 0.214 -0.557 1.026 1.00 54.51 H new ATOM 0 HE2 MET A 84 -0.793 -0.437 2.489 1.00 54.51 H new ATOM 0 HE3 MET A 84 0.274 0.912 2.029 1.00 54.51 H new ATOM 398 N GLY A 85 0.498 4.252 5.710 1.00 3.52 N ATOM 399 CA GLY A 85 0.576 5.712 5.693 1.00 4.11 C ATOM 400 C GLY A 85 0.974 6.333 7.030 1.00 74.45 C ATOM 401 O GLY A 85 1.400 7.483 7.078 1.00 73.21 O ATOM 0 H GLY A 85 -0.421 3.885 5.462 1.00 3.52 H new ATOM 0 HA2 GLY A 85 1.297 6.017 4.934 1.00 4.11 H new ATOM 0 HA3 GLY A 85 -0.392 6.113 5.393 1.00 4.11 H new ATOM 405 N LYS A 86 0.820 5.568 8.124 1.00 24.13 N ATOM 406 CA LYS A 86 1.263 5.984 9.462 1.00 0.51 C ATOM 407 C LYS A 86 2.752 5.658 9.639 1.00 1.45 C ATOM 408 O LYS A 86 3.536 6.513 10.053 1.00 52.21 O ATOM 409 CB LYS A 86 0.429 5.278 10.557 1.00 75.23 C ATOM 410 CG LYS A 86 -1.093 5.531 10.473 1.00 52.33 C ATOM 411 CD LYS A 86 -1.851 4.929 11.682 1.00 55.24 C ATOM 412 CE LYS A 86 -1.441 5.569 13.025 1.00 63.33 C ATOM 413 NZ LYS A 86 -2.062 4.881 14.189 1.00 22.02 N ATOM 0 H LYS A 86 0.385 4.645 8.104 1.00 24.13 H new ATOM 0 HA LYS A 86 1.116 7.060 9.561 1.00 0.51 H new ATOM 0 HB2 LYS A 86 0.609 4.205 10.496 1.00 75.23 H new ATOM 0 HB3 LYS A 86 0.785 5.606 11.534 1.00 75.23 H new ATOM 0 HG2 LYS A 86 -1.280 6.604 10.426 1.00 52.33 H new ATOM 0 HG3 LYS A 86 -1.482 5.099 9.551 1.00 52.33 H new ATOM 0 HD2 LYS A 86 -2.923 5.060 11.535 1.00 55.24 H new ATOM 0 HD3 LYS A 86 -1.664 3.856 11.724 1.00 55.24 H new ATOM 0 HE2 LYS A 86 -0.356 5.538 13.124 1.00 63.33 H new ATOM 0 HE3 LYS A 86 -1.732 6.619 13.029 1.00 63.33 H new ATOM 0 HZ1 LYS A 86 -1.758 5.345 15.069 1.00 22.02 H new ATOM 0 HZ2 LYS A 86 -3.098 4.932 14.110 1.00 22.02 H new ATOM 0 HZ3 LYS A 86 -1.764 3.885 14.203 1.00 22.02 H new ATOM 427 N GLU A 87 3.142 4.430 9.242 1.00 45.43 N ATOM 428 CA GLU A 87 4.485 3.879 9.515 1.00 51.12 C ATOM 429 C GLU A 87 5.577 4.494 8.621 1.00 31.14 C ATOM 430 O GLU A 87 6.748 4.239 8.858 1.00 2.24 O ATOM 431 CB GLU A 87 4.470 2.314 9.398 1.00 62.12 C ATOM 432 CG GLU A 87 4.258 1.570 10.739 1.00 12.44 C ATOM 433 CD GLU A 87 3.086 2.110 11.577 1.00 11.25 C ATOM 434 OE1 GLU A 87 1.919 1.899 11.189 1.00 32.23 O ATOM 435 OE2 GLU A 87 3.321 2.742 12.629 1.00 3.05 O ATOM 0 H GLU A 87 2.536 3.793 8.724 1.00 45.43 H new ATOM 0 HA GLU A 87 4.740 4.153 10.539 1.00 51.12 H new ATOM 0 HB2 GLU A 87 3.680 2.022 8.707 1.00 62.12 H new ATOM 0 HB3 GLU A 87 5.413 1.986 8.961 1.00 62.12 H new ATOM 0 HG2 GLU A 87 4.087 0.513 10.533 1.00 12.44 H new ATOM 0 HG3 GLU A 87 5.173 1.636 11.328 1.00 12.44 H new ATOM 442 N ILE A 88 5.193 5.331 7.646 1.00 12.51 N ATOM 443 CA ILE A 88 6.151 6.070 6.793 1.00 52.02 C ATOM 444 C ILE A 88 7.007 7.046 7.638 1.00 5.24 C ATOM 445 O ILE A 88 8.215 7.148 7.426 1.00 32.54 O ATOM 446 CB ILE A 88 5.398 6.858 5.653 1.00 63.44 C ATOM 447 CG1 ILE A 88 4.560 5.874 4.786 1.00 32.33 C ATOM 448 CG2 ILE A 88 6.382 7.671 4.767 1.00 54.24 C ATOM 449 CD1 ILE A 88 3.692 6.533 3.740 1.00 22.05 C ATOM 0 H ILE A 88 4.215 5.518 7.423 1.00 12.51 H new ATOM 0 HA ILE A 88 6.814 5.339 6.330 1.00 52.02 H new ATOM 0 HB ILE A 88 4.726 7.573 6.128 1.00 63.44 H new ATOM 0 HG12 ILE A 88 5.239 5.180 4.290 1.00 32.33 H new ATOM 0 HG13 ILE A 88 3.925 5.282 5.445 1.00 32.33 H new ATOM 0 HG21 ILE A 88 5.824 8.199 3.994 1.00 54.24 H new ATOM 0 HG22 ILE A 88 6.917 8.392 5.385 1.00 54.24 H new ATOM 0 HG23 ILE A 88 7.096 6.993 4.300 1.00 54.24 H new ATOM 0 HD11 ILE A 88 3.146 5.769 3.186 1.00 22.05 H new ATOM 0 HD12 ILE A 88 2.984 7.205 4.225 1.00 22.05 H new ATOM 0 HD13 ILE A 88 4.319 7.101 3.053 1.00 22.05 H new ATOM 461 N ARG A 89 6.359 7.731 8.600 1.00 45.02 N ATOM 462 CA ARG A 89 7.017 8.753 9.446 1.00 20.24 C ATOM 463 C ARG A 89 8.091 8.139 10.406 1.00 13.55 C ATOM 464 O ARG A 89 9.226 8.622 10.403 1.00 41.32 O ATOM 465 CB ARG A 89 5.957 9.588 10.212 1.00 11.01 C ATOM 466 CG ARG A 89 6.536 10.705 11.112 1.00 70.41 C ATOM 467 CD ARG A 89 5.448 11.481 11.875 1.00 34.53 C ATOM 468 NE ARG A 89 6.016 12.492 12.791 1.00 53.44 N ATOM 469 CZ ARG A 89 5.326 13.501 13.355 1.00 34.03 C ATOM 470 NH1 ARG A 89 4.026 13.664 13.104 1.00 24.44 N ATOM 471 NH2 ARG A 89 5.936 14.341 14.176 1.00 55.41 N ATOM 0 H ARG A 89 5.371 7.595 8.814 1.00 45.02 H new ATOM 0 HA ARG A 89 7.563 9.425 8.784 1.00 20.24 H new ATOM 0 HB2 ARG A 89 5.279 10.039 9.488 1.00 11.01 H new ATOM 0 HB3 ARG A 89 5.362 8.915 10.830 1.00 11.01 H new ATOM 0 HG2 ARG A 89 7.231 10.265 11.827 1.00 70.41 H new ATOM 0 HG3 ARG A 89 7.108 11.400 10.498 1.00 70.41 H new ATOM 0 HD2 ARG A 89 4.787 11.972 11.161 1.00 34.53 H new ATOM 0 HD3 ARG A 89 4.838 10.780 12.445 1.00 34.53 H new ATOM 0 HE ARG A 89 7.009 12.420 13.013 1.00 53.44 H new ATOM 0 HH11 ARG A 89 3.543 13.020 12.478 1.00 24.44 H new ATOM 0 HH12 ARG A 89 3.515 14.433 13.538 1.00 24.44 H new ATOM 0 HH21 ARG A 89 6.928 14.224 14.381 1.00 55.41 H new ATOM 0 HH22 ARG A 89 5.414 15.106 14.604 1.00 55.41 H new ATOM 485 N PRO A 90 7.778 7.082 11.247 1.00 3.42 N ATOM 486 CA PRO A 90 8.805 6.439 12.117 1.00 3.11 C ATOM 487 C PRO A 90 9.909 5.720 11.302 1.00 64.10 C ATOM 488 O PRO A 90 11.067 5.701 11.727 1.00 43.53 O ATOM 489 CB PRO A 90 7.991 5.466 12.998 1.00 63.31 C ATOM 490 CG PRO A 90 6.755 5.185 12.201 1.00 2.03 C ATOM 491 CD PRO A 90 6.443 6.470 11.478 1.00 40.45 C ATOM 0 HA PRO A 90 9.358 7.168 12.709 1.00 3.11 H new ATOM 0 HB2 PRO A 90 8.549 4.552 13.200 1.00 63.31 H new ATOM 0 HB3 PRO A 90 7.749 5.912 13.963 1.00 63.31 H new ATOM 0 HG2 PRO A 90 6.918 4.368 11.498 1.00 2.03 H new ATOM 0 HG3 PRO A 90 5.930 4.888 12.848 1.00 2.03 H new ATOM 0 HD2 PRO A 90 5.921 6.284 10.540 1.00 40.45 H new ATOM 0 HD3 PRO A 90 5.803 7.120 12.075 1.00 40.45 H new ATOM 499 N THR A 91 9.535 5.141 10.138 1.00 5.33 N ATOM 500 CA THR A 91 10.500 4.578 9.160 1.00 35.42 C ATOM 501 C THR A 91 11.518 5.654 8.738 1.00 2.44 C ATOM 502 O THR A 91 12.735 5.453 8.816 1.00 14.54 O ATOM 503 CB THR A 91 9.753 4.034 7.901 1.00 22.43 C ATOM 504 OG1 THR A 91 8.980 2.899 8.282 1.00 72.01 O ATOM 505 CG2 THR A 91 10.697 3.656 6.741 1.00 34.00 C ATOM 0 H THR A 91 8.561 5.050 9.849 1.00 5.33 H new ATOM 0 HA THR A 91 11.029 3.753 9.637 1.00 35.42 H new ATOM 0 HB THR A 91 9.118 4.838 7.528 1.00 22.43 H new ATOM 0 HG1 THR A 91 8.142 3.197 8.693 1.00 72.01 H new ATOM 0 HG21 THR A 91 10.110 3.286 5.900 1.00 34.00 H new ATOM 0 HG22 THR A 91 11.262 4.535 6.430 1.00 34.00 H new ATOM 0 HG23 THR A 91 11.387 2.880 7.072 1.00 34.00 H new ATOM 513 N TYR A 92 10.967 6.807 8.342 1.00 4.15 N ATOM 514 CA TYR A 92 11.731 7.984 7.932 1.00 24.41 C ATOM 515 C TYR A 92 12.628 8.486 9.082 1.00 31.41 C ATOM 516 O TYR A 92 13.743 8.967 8.851 1.00 65.20 O ATOM 517 CB TYR A 92 10.751 9.102 7.472 1.00 3.25 C ATOM 518 CG TYR A 92 11.457 10.375 7.011 1.00 40.30 C ATOM 519 CD1 TYR A 92 12.267 10.358 5.884 1.00 23.14 C ATOM 520 CD2 TYR A 92 11.346 11.576 7.715 1.00 22.31 C ATOM 521 CE1 TYR A 92 12.948 11.470 5.481 1.00 32.43 C ATOM 522 CE2 TYR A 92 12.041 12.695 7.318 1.00 54.54 C ATOM 523 CZ TYR A 92 12.832 12.639 6.196 1.00 52.11 C ATOM 524 OH TYR A 92 13.539 13.752 5.810 1.00 70.40 O ATOM 0 H TYR A 92 9.958 6.948 8.298 1.00 4.15 H new ATOM 0 HA TYR A 92 12.381 7.712 7.100 1.00 24.41 H new ATOM 0 HB2 TYR A 92 10.134 8.722 6.657 1.00 3.25 H new ATOM 0 HB3 TYR A 92 10.078 9.346 8.294 1.00 3.25 H new ATOM 0 HD1 TYR A 92 12.360 9.445 5.314 1.00 23.14 H new ATOM 0 HD2 TYR A 92 10.706 11.627 8.583 1.00 22.31 H new ATOM 0 HE1 TYR A 92 13.576 11.432 4.603 1.00 32.43 H new ATOM 0 HE2 TYR A 92 11.965 13.611 7.885 1.00 54.54 H new ATOM 0 HH TYR A 92 13.343 14.492 6.421 1.00 70.40 H new ATOM 534 N ALA A 93 12.134 8.320 10.321 1.00 24.31 N ATOM 535 CA ALA A 93 12.792 8.813 11.539 1.00 10.54 C ATOM 536 C ALA A 93 13.918 7.881 12.023 1.00 11.12 C ATOM 537 O ALA A 93 14.544 8.156 13.046 1.00 44.33 O ATOM 538 CB ALA A 93 11.735 9.010 12.639 1.00 71.11 C ATOM 0 H ALA A 93 11.256 7.834 10.505 1.00 24.31 H new ATOM 0 HA ALA A 93 13.265 9.766 11.304 1.00 10.54 H new ATOM 0 HB1 ALA A 93 12.217 9.376 13.546 1.00 71.11 H new ATOM 0 HB2 ALA A 93 10.993 9.735 12.305 1.00 71.11 H new ATOM 0 HB3 ALA A 93 11.245 8.059 12.847 1.00 71.11 H new ATOM 544 N GLY A 94 14.179 6.783 11.281 1.00 20.31 N ATOM 545 CA GLY A 94 15.269 5.852 11.607 1.00 42.13 C ATOM 546 C GLY A 94 14.822 4.588 12.333 1.00 70.04 C ATOM 547 O GLY A 94 15.641 3.691 12.546 1.00 31.13 O ATOM 0 H GLY A 94 13.645 6.524 10.451 1.00 20.31 H new ATOM 0 HA2 GLY A 94 15.775 5.567 10.685 1.00 42.13 H new ATOM 0 HA3 GLY A 94 16.001 6.371 12.225 1.00 42.13 H new ATOM 551 N SER A 95 13.535 4.497 12.705 1.00 52.24 N ATOM 552 CA SER A 95 12.991 3.312 13.400 1.00 4.14 C ATOM 553 C SER A 95 12.814 2.138 12.409 1.00 20.31 C ATOM 554 O SER A 95 11.820 2.089 11.665 1.00 44.43 O ATOM 555 CB SER A 95 11.651 3.665 14.078 1.00 71.32 C ATOM 556 OG SER A 95 11.757 4.855 14.836 1.00 12.43 O ATOM 0 H SER A 95 12.847 5.231 12.537 1.00 52.24 H new ATOM 0 HA SER A 95 13.696 3.000 14.170 1.00 4.14 H new ATOM 0 HB2 SER A 95 10.877 3.782 13.320 1.00 71.32 H new ATOM 0 HB3 SER A 95 11.341 2.845 14.726 1.00 71.32 H new ATOM 0 HG SER A 95 10.893 5.055 15.253 1.00 12.43 H new ATOM 562 N LYS A 96 13.805 1.218 12.388 1.00 54.21 N ATOM 563 CA LYS A 96 13.798 0.048 11.480 1.00 14.32 C ATOM 564 C LYS A 96 12.732 -0.989 11.861 1.00 52.33 C ATOM 565 O LYS A 96 12.320 -1.783 11.016 1.00 70.55 O ATOM 566 CB LYS A 96 15.191 -0.618 11.357 1.00 74.23 C ATOM 567 CG LYS A 96 15.784 -1.198 12.653 1.00 12.22 C ATOM 568 CD LYS A 96 17.146 -1.893 12.404 1.00 34.20 C ATOM 569 CE LYS A 96 17.805 -2.396 13.693 1.00 1.10 C ATOM 570 NZ LYS A 96 18.124 -1.283 14.627 1.00 71.54 N ATOM 0 H LYS A 96 14.625 1.264 12.994 1.00 54.21 H new ATOM 0 HA LYS A 96 13.535 0.444 10.499 1.00 14.32 H new ATOM 0 HB2 LYS A 96 15.123 -1.420 10.622 1.00 74.23 H new ATOM 0 HB3 LYS A 96 15.889 0.119 10.961 1.00 74.23 H new ATOM 0 HG2 LYS A 96 15.912 -0.399 13.383 1.00 12.22 H new ATOM 0 HG3 LYS A 96 15.084 -1.914 13.084 1.00 12.22 H new ATOM 0 HD2 LYS A 96 17.000 -2.733 11.725 1.00 34.20 H new ATOM 0 HD3 LYS A 96 17.819 -1.194 11.907 1.00 34.20 H new ATOM 0 HE2 LYS A 96 17.140 -3.105 14.187 1.00 1.10 H new ATOM 0 HE3 LYS A 96 18.719 -2.935 13.446 1.00 1.10 H new ATOM 0 HZ1 LYS A 96 18.716 -1.641 15.404 1.00 71.54 H new ATOM 0 HZ2 LYS A 96 18.637 -0.537 14.116 1.00 71.54 H new ATOM 0 HZ3 LYS A 96 17.242 -0.892 15.016 1.00 71.54 H new ATOM 584 N SER A 97 12.300 -0.979 13.131 1.00 23.04 N ATOM 585 CA SER A 97 11.194 -1.827 13.606 1.00 53.41 C ATOM 586 C SER A 97 9.892 -1.470 12.853 1.00 34.23 C ATOM 587 O SER A 97 9.192 -2.353 12.340 1.00 11.33 O ATOM 588 CB SER A 97 11.006 -1.645 15.128 1.00 73.01 C ATOM 589 OG SER A 97 10.813 -0.280 15.459 1.00 61.34 O ATOM 0 H SER A 97 12.705 -0.386 13.856 1.00 23.04 H new ATOM 0 HA SER A 97 11.434 -2.871 13.407 1.00 53.41 H new ATOM 0 HB2 SER A 97 10.149 -2.229 15.464 1.00 73.01 H new ATOM 0 HB3 SER A 97 11.880 -2.030 15.654 1.00 73.01 H new ATOM 0 HG SER A 97 10.695 -0.192 16.428 1.00 61.34 H new ATOM 595 N ALA A 98 9.615 -0.150 12.777 1.00 63.32 N ATOM 596 CA ALA A 98 8.458 0.404 12.059 1.00 10.33 C ATOM 597 C ALA A 98 8.648 0.317 10.541 1.00 34.33 C ATOM 598 O ALA A 98 7.672 0.243 9.800 1.00 35.43 O ATOM 599 CB ALA A 98 8.227 1.852 12.478 1.00 62.23 C ATOM 0 H ALA A 98 10.196 0.563 13.218 1.00 63.32 H new ATOM 0 HA ALA A 98 7.583 -0.190 12.321 1.00 10.33 H new ATOM 0 HB1 ALA A 98 7.368 2.254 11.941 1.00 62.23 H new ATOM 0 HB2 ALA A 98 8.037 1.895 13.550 1.00 62.23 H new ATOM 0 HB3 ALA A 98 9.111 2.444 12.243 1.00 62.23 H new ATOM 605 N MET A 99 9.922 0.351 10.101 1.00 62.11 N ATOM 606 CA MET A 99 10.300 0.170 8.690 1.00 0.03 C ATOM 607 C MET A 99 9.953 -1.244 8.230 1.00 53.32 C ATOM 608 O MET A 99 9.427 -1.425 7.138 1.00 11.20 O ATOM 609 CB MET A 99 11.806 0.502 8.494 1.00 2.13 C ATOM 610 CG MET A 99 12.343 0.372 7.053 1.00 42.21 C ATOM 611 SD MET A 99 12.730 -1.321 6.577 1.00 52.13 S ATOM 612 CE MET A 99 14.055 -1.724 7.707 1.00 51.30 C ATOM 0 H MET A 99 10.719 0.506 10.719 1.00 62.11 H new ATOM 0 HA MET A 99 9.732 0.861 8.067 1.00 0.03 H new ATOM 0 HB2 MET A 99 11.981 1.522 8.835 1.00 2.13 H new ATOM 0 HB3 MET A 99 12.390 -0.154 9.139 1.00 2.13 H new ATOM 0 HG2 MET A 99 11.603 0.775 6.361 1.00 42.21 H new ATOM 0 HG3 MET A 99 13.240 0.983 6.952 1.00 42.21 H new ATOM 0 HE1 MET A 99 14.675 -2.509 7.275 1.00 51.30 H new ATOM 0 HE2 MET A 99 14.664 -0.837 7.885 1.00 51.30 H new ATOM 0 HE3 MET A 99 13.635 -2.071 8.651 1.00 51.30 H new ATOM 622 N GLU A 100 10.197 -2.228 9.112 1.00 11.02 N ATOM 623 CA GLU A 100 9.879 -3.640 8.857 1.00 43.40 C ATOM 624 C GLU A 100 8.352 -3.868 8.899 1.00 14.30 C ATOM 625 O GLU A 100 7.829 -4.727 8.184 1.00 41.13 O ATOM 626 CB GLU A 100 10.608 -4.539 9.891 1.00 35.05 C ATOM 627 CG GLU A 100 10.439 -6.062 9.679 1.00 33.42 C ATOM 628 CD GLU A 100 10.933 -6.565 8.307 1.00 14.41 C ATOM 629 OE1 GLU A 100 12.157 -6.734 8.136 1.00 11.50 O ATOM 630 OE2 GLU A 100 10.099 -6.816 7.407 1.00 75.42 O ATOM 0 H GLU A 100 10.622 -2.064 10.025 1.00 11.02 H new ATOM 0 HA GLU A 100 10.227 -3.909 7.860 1.00 43.40 H new ATOM 0 HB2 GLU A 100 11.672 -4.302 9.868 1.00 35.05 H new ATOM 0 HB3 GLU A 100 10.246 -4.285 10.887 1.00 35.05 H new ATOM 0 HG2 GLU A 100 10.981 -6.590 10.464 1.00 33.42 H new ATOM 0 HG3 GLU A 100 9.386 -6.319 9.791 1.00 33.42 H new ATOM 637 N ARG A 101 7.651 -3.078 9.744 1.00 44.44 N ATOM 638 CA ARG A 101 6.176 -3.089 9.830 1.00 61.13 C ATOM 639 C ARG A 101 5.570 -2.485 8.548 1.00 25.13 C ATOM 640 O ARG A 101 4.529 -2.937 8.066 1.00 51.15 O ATOM 641 CB ARG A 101 5.720 -2.300 11.088 1.00 23.45 C ATOM 642 CG ARG A 101 4.199 -2.308 11.368 1.00 5.53 C ATOM 643 CD ARG A 101 3.634 -3.722 11.606 1.00 12.44 C ATOM 644 NE ARG A 101 4.254 -4.401 12.761 1.00 32.10 N ATOM 645 CZ ARG A 101 3.928 -5.626 13.209 1.00 0.14 C ATOM 646 NH1 ARG A 101 2.978 -6.346 12.610 1.00 21.43 N ATOM 647 NH2 ARG A 101 4.558 -6.132 14.264 1.00 51.53 N ATOM 0 H ARG A 101 8.092 -2.417 10.383 1.00 44.44 H new ATOM 0 HA ARG A 101 5.823 -4.116 9.921 1.00 61.13 H new ATOM 0 HB2 ARG A 101 6.233 -2.710 11.958 1.00 23.45 H new ATOM 0 HB3 ARG A 101 6.046 -1.265 10.984 1.00 23.45 H new ATOM 0 HG2 ARG A 101 3.994 -1.690 12.242 1.00 5.53 H new ATOM 0 HG3 ARG A 101 3.678 -1.853 10.526 1.00 5.53 H new ATOM 0 HD2 ARG A 101 2.558 -3.656 11.765 1.00 12.44 H new ATOM 0 HD3 ARG A 101 3.788 -4.325 10.711 1.00 12.44 H new ATOM 0 HE ARG A 101 4.989 -3.900 13.260 1.00 32.10 H new ATOM 0 HH11 ARG A 101 2.487 -5.969 11.799 1.00 21.43 H new ATOM 0 HH12 ARG A 101 2.743 -7.274 12.963 1.00 21.43 H new ATOM 0 HH21 ARG A 101 5.286 -5.591 14.731 1.00 51.53 H new ATOM 0 HH22 ARG A 101 4.313 -7.061 14.607 1.00 51.53 H new ATOM 661 N LEU A 102 6.267 -1.474 8.000 1.00 0.15 N ATOM 662 CA LEU A 102 5.872 -0.779 6.765 1.00 55.13 C ATOM 663 C LEU A 102 6.063 -1.705 5.546 1.00 61.44 C ATOM 664 O LEU A 102 5.212 -1.743 4.644 1.00 32.22 O ATOM 665 CB LEU A 102 6.706 0.524 6.624 1.00 32.25 C ATOM 666 CG LEU A 102 6.380 1.441 5.404 1.00 63.11 C ATOM 667 CD1 LEU A 102 4.899 1.828 5.362 1.00 43.13 C ATOM 668 CD2 LEU A 102 7.270 2.694 5.405 1.00 1.01 C ATOM 0 H LEU A 102 7.130 -1.114 8.408 1.00 0.15 H new ATOM 0 HA LEU A 102 4.816 -0.513 6.812 1.00 55.13 H new ATOM 0 HB2 LEU A 102 6.576 1.110 7.534 1.00 32.25 H new ATOM 0 HB3 LEU A 102 7.759 0.249 6.570 1.00 32.25 H new ATOM 0 HG LEU A 102 6.594 0.867 4.502 1.00 63.11 H new ATOM 0 HD11 LEU A 102 4.714 2.466 4.498 1.00 43.13 H new ATOM 0 HD12 LEU A 102 4.290 0.928 5.285 1.00 43.13 H new ATOM 0 HD13 LEU A 102 4.638 2.366 6.273 1.00 43.13 H new ATOM 0 HD21 LEU A 102 7.023 3.316 4.545 1.00 1.01 H new ATOM 0 HD22 LEU A 102 7.102 3.259 6.322 1.00 1.01 H new ATOM 0 HD23 LEU A 102 8.317 2.397 5.349 1.00 1.01 H new ATOM 680 N LYS A 103 7.189 -2.463 5.557 1.00 43.23 N ATOM 681 CA LYS A 103 7.480 -3.517 4.567 1.00 11.32 C ATOM 682 C LYS A 103 6.371 -4.569 4.591 1.00 33.34 C ATOM 683 O LYS A 103 5.774 -4.863 3.566 1.00 64.11 O ATOM 684 CB LYS A 103 8.845 -4.196 4.866 1.00 63.11 C ATOM 685 CG LYS A 103 10.069 -3.271 4.745 1.00 42.34 C ATOM 686 CD LYS A 103 11.369 -3.931 5.258 1.00 2.45 C ATOM 687 CE LYS A 103 11.802 -5.146 4.434 1.00 12.32 C ATOM 688 NZ LYS A 103 12.129 -4.775 3.034 1.00 53.10 N ATOM 0 H LYS A 103 7.921 -2.355 6.259 1.00 43.23 H new ATOM 0 HA LYS A 103 7.529 -3.056 3.580 1.00 11.32 H new ATOM 0 HB2 LYS A 103 8.817 -4.607 5.875 1.00 63.11 H new ATOM 0 HB3 LYS A 103 8.974 -5.036 4.183 1.00 63.11 H new ATOM 0 HG2 LYS A 103 10.200 -2.983 3.702 1.00 42.34 H new ATOM 0 HG3 LYS A 103 9.885 -2.356 5.308 1.00 42.34 H new ATOM 0 HD2 LYS A 103 12.170 -3.192 5.250 1.00 2.45 H new ATOM 0 HD3 LYS A 103 11.228 -4.236 6.295 1.00 2.45 H new ATOM 0 HE2 LYS A 103 12.672 -5.610 4.900 1.00 12.32 H new ATOM 0 HE3 LYS A 103 11.005 -5.889 4.436 1.00 12.32 H new ATOM 0 HZ1 LYS A 103 12.545 -5.594 2.546 1.00 53.10 H new ATOM 0 HZ2 LYS A 103 11.261 -4.483 2.541 1.00 53.10 H new ATOM 0 HZ3 LYS A 103 12.810 -3.989 3.033 1.00 53.10 H new ATOM 702 N ARG A 104 6.071 -5.072 5.805 1.00 62.22 N ATOM 703 CA ARG A 104 5.047 -6.103 6.035 1.00 51.32 C ATOM 704 C ARG A 104 3.663 -5.617 5.584 1.00 10.00 C ATOM 705 O ARG A 104 2.818 -6.421 5.174 1.00 51.14 O ATOM 706 CB ARG A 104 5.041 -6.475 7.537 1.00 71.11 C ATOM 707 CG ARG A 104 4.037 -7.571 7.941 1.00 62.03 C ATOM 708 CD ARG A 104 4.087 -7.912 9.440 1.00 13.25 C ATOM 709 NE ARG A 104 2.978 -8.801 9.825 1.00 30.13 N ATOM 710 CZ ARG A 104 2.800 -9.342 11.037 1.00 1.15 C ATOM 711 NH1 ARG A 104 3.660 -9.110 12.030 1.00 54.13 N ATOM 712 NH2 ARG A 104 1.749 -10.117 11.256 1.00 43.41 N ATOM 0 H ARG A 104 6.539 -4.769 6.659 1.00 62.22 H new ATOM 0 HA ARG A 104 5.285 -6.987 5.443 1.00 51.32 H new ATOM 0 HB2 ARG A 104 6.042 -6.802 7.817 1.00 71.11 H new ATOM 0 HB3 ARG A 104 4.825 -5.577 8.116 1.00 71.11 H new ATOM 0 HG2 ARG A 104 3.029 -7.246 7.682 1.00 62.03 H new ATOM 0 HG3 ARG A 104 4.240 -8.472 7.362 1.00 62.03 H new ATOM 0 HD2 ARG A 104 5.038 -8.391 9.674 1.00 13.25 H new ATOM 0 HD3 ARG A 104 4.040 -6.994 10.026 1.00 13.25 H new ATOM 0 HE ARG A 104 2.287 -9.023 9.108 1.00 30.13 H new ATOM 0 HH11 ARG A 104 4.471 -8.511 11.873 1.00 54.13 H new ATOM 0 HH12 ARG A 104 3.507 -9.531 12.946 1.00 54.13 H new ATOM 0 HH21 ARG A 104 1.083 -10.298 10.505 1.00 43.41 H new ATOM 0 HH22 ARG A 104 1.605 -10.533 12.176 1.00 43.41 H new ATOM 726 N GLY A 105 3.459 -4.287 5.669 1.00 42.21 N ATOM 727 CA GLY A 105 2.293 -3.638 5.103 1.00 72.34 C ATOM 728 C GLY A 105 2.165 -3.889 3.609 1.00 45.14 C ATOM 729 O GLY A 105 1.090 -4.250 3.142 1.00 51.41 O ATOM 0 H GLY A 105 4.104 -3.648 6.133 1.00 42.21 H new ATOM 0 HA2 GLY A 105 1.397 -3.999 5.608 1.00 72.34 H new ATOM 0 HA3 GLY A 105 2.352 -2.565 5.286 1.00 72.34 H new ATOM 733 N ILE A 106 3.276 -3.724 2.868 1.00 15.24 N ATOM 734 CA ILE A 106 3.312 -3.992 1.421 1.00 63.11 C ATOM 735 C ILE A 106 3.078 -5.487 1.121 1.00 24.33 C ATOM 736 O ILE A 106 2.361 -5.793 0.185 1.00 61.15 O ATOM 737 CB ILE A 106 4.655 -3.449 0.751 1.00 22.20 C ATOM 738 CG1 ILE A 106 4.504 -1.952 0.317 1.00 33.24 C ATOM 739 CG2 ILE A 106 5.135 -4.305 -0.456 1.00 31.12 C ATOM 740 CD1 ILE A 106 4.297 -0.950 1.422 1.00 61.34 C ATOM 0 H ILE A 106 4.165 -3.404 3.252 1.00 15.24 H new ATOM 0 HA ILE A 106 2.490 -3.440 0.965 1.00 63.11 H new ATOM 0 HB ILE A 106 5.421 -3.529 1.522 1.00 22.20 H new ATOM 0 HG12 ILE A 106 5.397 -1.666 -0.240 1.00 33.24 H new ATOM 0 HG13 ILE A 106 3.662 -1.880 -0.371 1.00 33.24 H new ATOM 0 HG21 ILE A 106 6.052 -3.879 -0.863 1.00 31.12 H new ATOM 0 HG22 ILE A 106 5.325 -5.326 -0.125 1.00 31.12 H new ATOM 0 HG23 ILE A 106 4.365 -4.311 -1.227 1.00 31.12 H new ATOM 0 HD11 ILE A 106 4.207 0.049 0.995 1.00 61.34 H new ATOM 0 HD12 ILE A 106 3.386 -1.195 1.969 1.00 61.34 H new ATOM 0 HD13 ILE A 106 5.148 -0.978 2.103 1.00 61.34 H new ATOM 752 N ILE A 107 3.653 -6.405 1.927 1.00 45.40 N ATOM 753 CA ILE A 107 3.441 -7.864 1.721 1.00 62.33 C ATOM 754 C ILE A 107 1.942 -8.213 1.912 1.00 22.15 C ATOM 755 O ILE A 107 1.357 -8.946 1.109 1.00 42.34 O ATOM 756 CB ILE A 107 4.355 -8.764 2.660 1.00 60.23 C ATOM 757 CG1 ILE A 107 5.856 -8.768 2.197 1.00 72.11 C ATOM 758 CG2 ILE A 107 3.836 -10.227 2.713 1.00 44.42 C ATOM 759 CD1 ILE A 107 6.591 -7.453 2.286 1.00 15.13 C ATOM 0 H ILE A 107 4.258 -6.173 2.715 1.00 45.40 H new ATOM 0 HA ILE A 107 3.740 -8.091 0.698 1.00 62.33 H new ATOM 0 HB ILE A 107 4.301 -8.322 3.655 1.00 60.23 H new ATOM 0 HG12 ILE A 107 6.396 -9.502 2.795 1.00 72.11 H new ATOM 0 HG13 ILE A 107 5.893 -9.111 1.163 1.00 72.11 H new ATOM 0 HG21 ILE A 107 4.481 -10.819 3.363 1.00 44.42 H new ATOM 0 HG22 ILE A 107 2.819 -10.238 3.104 1.00 44.42 H new ATOM 0 HG23 ILE A 107 3.844 -10.652 1.709 1.00 44.42 H new ATOM 0 HD11 ILE A 107 7.616 -7.585 1.939 1.00 15.13 H new ATOM 0 HD12 ILE A 107 6.089 -6.713 1.663 1.00 15.13 H new ATOM 0 HD13 ILE A 107 6.600 -7.110 3.321 1.00 15.13 H new ATOM 771 N HIS A 108 1.331 -7.622 2.959 1.00 54.21 N ATOM 772 CA HIS A 108 -0.085 -7.849 3.306 1.00 15.04 C ATOM 773 C HIS A 108 -0.990 -7.304 2.193 1.00 24.41 C ATOM 774 O HIS A 108 -1.875 -8.010 1.705 1.00 63.40 O ATOM 775 CB HIS A 108 -0.417 -7.186 4.669 1.00 62.50 C ATOM 776 CG HIS A 108 -1.793 -7.468 5.235 1.00 70.21 C ATOM 777 ND1 HIS A 108 -2.280 -6.831 6.351 1.00 5.21 N ATOM 778 CD2 HIS A 108 -2.782 -8.311 4.843 1.00 52.34 C ATOM 779 CE1 HIS A 108 -3.491 -7.266 6.615 1.00 34.11 C ATOM 780 NE2 HIS A 108 -3.817 -8.166 5.720 1.00 10.40 N ATOM 0 H HIS A 108 1.806 -6.974 3.587 1.00 54.21 H new ATOM 0 HA HIS A 108 -0.263 -8.920 3.400 1.00 15.04 H new ATOM 0 HB2 HIS A 108 0.326 -7.511 5.397 1.00 62.50 H new ATOM 0 HB3 HIS A 108 -0.306 -6.107 4.561 1.00 62.50 H new ATOM 0 HD2 HIS A 108 -2.755 -8.975 3.992 1.00 52.34 H new ATOM 0 HE1 HIS A 108 -4.114 -6.937 7.433 1.00 34.11 H new ATOM 0 HE2 HIS A 108 -4.700 -8.675 5.685 1.00 10.40 H new ATOM 789 N ALA A 109 -0.712 -6.062 1.778 1.00 42.11 N ATOM 790 CA ALA A 109 -1.479 -5.368 0.741 1.00 72.22 C ATOM 791 C ALA A 109 -1.351 -6.084 -0.612 1.00 62.32 C ATOM 792 O ALA A 109 -2.332 -6.225 -1.338 1.00 74.04 O ATOM 793 CB ALA A 109 -1.016 -3.907 0.642 1.00 54.21 C ATOM 0 H ALA A 109 0.057 -5.508 2.156 1.00 42.11 H new ATOM 0 HA ALA A 109 -2.534 -5.381 1.016 1.00 72.22 H new ATOM 0 HB1 ALA A 109 -1.590 -3.395 -0.131 1.00 54.21 H new ATOM 0 HB2 ALA A 109 -1.173 -3.410 1.599 1.00 54.21 H new ATOM 0 HB3 ALA A 109 0.043 -3.878 0.387 1.00 54.21 H new ATOM 799 N ARG A 110 -0.134 -6.587 -0.889 1.00 0.11 N ATOM 800 CA ARG A 110 0.193 -7.328 -2.120 1.00 44.41 C ATOM 801 C ARG A 110 -0.619 -8.629 -2.177 1.00 4.42 C ATOM 802 O ARG A 110 -1.177 -8.982 -3.223 1.00 45.32 O ATOM 803 CB ARG A 110 1.711 -7.652 -2.141 1.00 10.32 C ATOM 804 CG ARG A 110 2.228 -8.326 -3.428 1.00 31.32 C ATOM 805 CD ARG A 110 2.197 -7.392 -4.646 1.00 61.34 C ATOM 806 NE ARG A 110 2.707 -8.063 -5.850 1.00 63.51 N ATOM 807 CZ ARG A 110 2.973 -7.456 -7.012 1.00 71.33 C ATOM 808 NH1 ARG A 110 2.778 -6.150 -7.155 1.00 44.44 N ATOM 809 NH2 ARG A 110 3.422 -8.163 -8.030 1.00 54.20 N ATOM 0 H ARG A 110 0.660 -6.489 -0.256 1.00 0.11 H new ATOM 0 HA ARG A 110 -0.058 -6.716 -2.987 1.00 44.41 H new ATOM 0 HB2 ARG A 110 2.265 -6.725 -1.989 1.00 10.32 H new ATOM 0 HB3 ARG A 110 1.938 -8.301 -1.295 1.00 10.32 H new ATOM 0 HG2 ARG A 110 3.250 -8.670 -3.267 1.00 31.32 H new ATOM 0 HG3 ARG A 110 1.624 -9.208 -3.638 1.00 31.32 H new ATOM 0 HD2 ARG A 110 1.176 -7.054 -4.821 1.00 61.34 H new ATOM 0 HD3 ARG A 110 2.796 -6.505 -4.441 1.00 61.34 H new ATOM 0 HE ARG A 110 2.871 -9.068 -5.795 1.00 63.51 H new ATOM 0 HH11 ARG A 110 2.422 -5.599 -6.374 1.00 44.44 H new ATOM 0 HH12 ARG A 110 2.984 -5.698 -8.046 1.00 44.44 H new ATOM 0 HH21 ARG A 110 3.565 -9.168 -7.929 1.00 54.20 H new ATOM 0 HH22 ARG A 110 3.626 -7.705 -8.918 1.00 54.20 H new ATOM 823 N ALA A 111 -0.699 -9.295 -1.004 1.00 74.40 N ATOM 824 CA ALA A 111 -1.404 -10.569 -0.832 1.00 34.11 C ATOM 825 C ALA A 111 -2.916 -10.390 -1.014 1.00 10.20 C ATOM 826 O ALA A 111 -3.592 -11.284 -1.503 1.00 73.43 O ATOM 827 CB ALA A 111 -1.094 -11.165 0.546 1.00 63.21 C ATOM 0 H ALA A 111 -0.269 -8.953 -0.145 1.00 74.40 H new ATOM 0 HA ALA A 111 -1.053 -11.260 -1.599 1.00 34.11 H new ATOM 0 HB1 ALA A 111 -1.624 -12.111 0.661 1.00 63.21 H new ATOM 0 HB2 ALA A 111 -0.021 -11.337 0.635 1.00 63.21 H new ATOM 0 HB3 ALA A 111 -1.416 -10.472 1.323 1.00 63.21 H new ATOM 833 N LEU A 112 -3.426 -9.212 -0.634 1.00 70.34 N ATOM 834 CA LEU A 112 -4.860 -8.904 -0.737 1.00 33.23 C ATOM 835 C LEU A 112 -5.270 -8.574 -2.179 1.00 44.00 C ATOM 836 O LEU A 112 -6.310 -9.042 -2.629 1.00 62.01 O ATOM 837 CB LEU A 112 -5.242 -7.765 0.237 1.00 0.20 C ATOM 838 CG LEU A 112 -5.059 -8.108 1.750 1.00 63.33 C ATOM 839 CD1 LEU A 112 -5.388 -6.904 2.640 1.00 51.12 C ATOM 840 CD2 LEU A 112 -5.891 -9.348 2.156 1.00 22.21 C ATOM 0 H LEU A 112 -2.864 -8.452 -0.250 1.00 70.34 H new ATOM 0 HA LEU A 112 -5.415 -9.797 -0.449 1.00 33.23 H new ATOM 0 HB2 LEU A 112 -4.639 -6.888 0.002 1.00 0.20 H new ATOM 0 HB3 LEU A 112 -6.283 -7.492 0.064 1.00 0.20 H new ATOM 0 HG LEU A 112 -4.008 -8.354 1.902 1.00 63.33 H new ATOM 0 HD11 LEU A 112 -5.250 -7.177 3.686 1.00 51.12 H new ATOM 0 HD12 LEU A 112 -4.725 -6.075 2.391 1.00 51.12 H new ATOM 0 HD13 LEU A 112 -6.423 -6.603 2.477 1.00 51.12 H new ATOM 0 HD21 LEU A 112 -5.739 -9.557 3.215 1.00 22.21 H new ATOM 0 HD22 LEU A 112 -6.948 -9.153 1.972 1.00 22.21 H new ATOM 0 HD23 LEU A 112 -5.573 -10.208 1.567 1.00 22.21 H new ATOM 852 N VAL A 113 -4.445 -7.795 -2.911 1.00 52.02 N ATOM 853 CA VAL A 113 -4.781 -7.406 -4.300 1.00 44.32 C ATOM 854 C VAL A 113 -4.689 -8.629 -5.243 1.00 34.54 C ATOM 855 O VAL A 113 -5.554 -8.806 -6.095 1.00 1.42 O ATOM 856 CB VAL A 113 -3.881 -6.250 -4.879 1.00 12.52 C ATOM 857 CG1 VAL A 113 -4.441 -5.757 -6.241 1.00 12.30 C ATOM 858 CG2 VAL A 113 -3.742 -5.074 -3.893 1.00 21.13 C ATOM 0 H VAL A 113 -3.556 -7.428 -2.572 1.00 52.02 H new ATOM 0 HA VAL A 113 -5.802 -7.026 -4.253 1.00 44.32 H new ATOM 0 HB VAL A 113 -2.883 -6.661 -5.034 1.00 12.52 H new ATOM 0 HG11 VAL A 113 -3.808 -4.958 -6.627 1.00 12.30 H new ATOM 0 HG12 VAL A 113 -4.454 -6.585 -6.950 1.00 12.30 H new ATOM 0 HG13 VAL A 113 -5.455 -5.381 -6.103 1.00 12.30 H new ATOM 0 HG21 VAL A 113 -3.113 -4.301 -4.335 1.00 21.13 H new ATOM 0 HG22 VAL A 113 -4.728 -4.661 -3.678 1.00 21.13 H new ATOM 0 HG23 VAL A 113 -3.287 -5.427 -2.968 1.00 21.13 H new ATOM 868 N ARG A 114 -3.647 -9.480 -5.050 1.00 1.40 N ATOM 869 CA ARG A 114 -3.393 -10.653 -5.929 1.00 61.13 C ATOM 870 C ARG A 114 -4.555 -11.674 -5.867 1.00 34.31 C ATOM 871 O ARG A 114 -4.894 -12.308 -6.869 1.00 70.15 O ATOM 872 CB ARG A 114 -2.001 -11.318 -5.621 1.00 32.02 C ATOM 873 CG ARG A 114 -1.837 -11.934 -4.203 1.00 13.34 C ATOM 874 CD ARG A 114 -2.283 -13.414 -4.068 1.00 53.41 C ATOM 875 NE ARG A 114 -2.826 -13.718 -2.736 1.00 3.52 N ATOM 876 CZ ARG A 114 -2.631 -14.842 -2.035 1.00 4.03 C ATOM 877 NH1 ARG A 114 -1.874 -15.833 -2.510 1.00 25.23 N ATOM 878 NH2 ARG A 114 -3.212 -14.980 -0.864 1.00 41.34 N ATOM 0 H ARG A 114 -2.970 -9.376 -4.294 1.00 1.40 H new ATOM 0 HA ARG A 114 -3.348 -10.288 -6.955 1.00 61.13 H new ATOM 0 HB2 ARG A 114 -1.824 -12.101 -6.358 1.00 32.02 H new ATOM 0 HB3 ARG A 114 -1.223 -10.567 -5.761 1.00 32.02 H new ATOM 0 HG2 ARG A 114 -0.789 -11.859 -3.911 1.00 13.34 H new ATOM 0 HG3 ARG A 114 -2.409 -11.333 -3.495 1.00 13.34 H new ATOM 0 HD2 ARG A 114 -3.038 -13.633 -4.823 1.00 53.41 H new ATOM 0 HD3 ARG A 114 -1.433 -14.066 -4.268 1.00 53.41 H new ATOM 0 HE ARG A 114 -3.409 -13.002 -2.303 1.00 3.52 H new ATOM 0 HH11 ARG A 114 -1.430 -15.743 -3.424 1.00 25.23 H new ATOM 0 HH12 ARG A 114 -1.739 -16.681 -1.959 1.00 25.23 H new ATOM 0 HH21 ARG A 114 -3.805 -14.235 -0.498 1.00 41.34 H new ATOM 0 HH22 ARG A 114 -3.070 -15.832 -0.322 1.00 41.34 H new ATOM 1319 N THR B 75 -4.875 -4.139 -12.032 1.00 65.14 N ATOM 1320 CA THR B 75 -3.461 -4.562 -11.904 1.00 25.22 C ATOM 1321 C THR B 75 -2.554 -3.366 -11.472 1.00 50.42 C ATOM 1322 O THR B 75 -1.464 -3.578 -10.917 1.00 3.15 O ATOM 1323 CB THR B 75 -2.939 -5.181 -13.252 1.00 53.12 C ATOM 1324 OG1 THR B 75 -3.839 -6.200 -13.706 1.00 3.02 O ATOM 1325 CG2 THR B 75 -1.526 -5.793 -13.120 1.00 4.42 C ATOM 0 HA THR B 75 -3.412 -5.326 -11.129 1.00 25.22 H new ATOM 0 HB THR B 75 -2.887 -4.363 -13.970 1.00 53.12 H new ATOM 0 HG1 THR B 75 -4.758 -5.953 -13.472 1.00 3.02 H new ATOM 0 HG21 THR B 75 -1.217 -6.205 -14.081 1.00 4.42 H new ATOM 0 HG22 THR B 75 -0.822 -5.020 -12.813 1.00 4.42 H new ATOM 0 HG23 THR B 75 -1.541 -6.586 -12.373 1.00 4.42 H new ATOM 1333 N ASP B 76 -3.023 -2.111 -11.712 1.00 11.25 N ATOM 1334 CA ASP B 76 -2.314 -0.893 -11.283 1.00 31.40 C ATOM 1335 C ASP B 76 -2.153 -0.875 -9.760 1.00 3.23 C ATOM 1336 O ASP B 76 -1.057 -0.651 -9.276 1.00 2.41 O ATOM 1337 CB ASP B 76 -3.047 0.393 -11.740 1.00 53.53 C ATOM 1338 CG ASP B 76 -2.235 1.670 -11.450 1.00 35.52 C ATOM 1339 OD1 ASP B 76 -1.335 1.995 -12.251 1.00 43.12 O ATOM 1340 OD2 ASP B 76 -2.471 2.353 -10.429 1.00 51.21 O ATOM 0 H ASP B 76 -3.897 -1.926 -12.205 1.00 11.25 H new ATOM 0 HA ASP B 76 -1.332 -0.910 -11.755 1.00 31.40 H new ATOM 0 HB2 ASP B 76 -3.251 0.331 -12.809 1.00 53.53 H new ATOM 0 HB3 ASP B 76 -4.011 0.457 -11.235 1.00 53.53 H new ATOM 1345 N LEU B 77 -3.264 -1.173 -9.032 1.00 52.24 N ATOM 1346 CA LEU B 77 -3.283 -1.215 -7.550 1.00 52.15 C ATOM 1347 C LEU B 77 -2.226 -2.191 -7.013 1.00 25.31 C ATOM 1348 O LEU B 77 -1.466 -1.843 -6.108 1.00 74.44 O ATOM 1349 CB LEU B 77 -4.700 -1.602 -7.032 1.00 14.55 C ATOM 1350 CG LEU B 77 -4.847 -1.795 -5.480 1.00 64.42 C ATOM 1351 CD1 LEU B 77 -4.401 -0.543 -4.690 1.00 12.33 C ATOM 1352 CD2 LEU B 77 -6.285 -2.206 -5.107 1.00 22.10 C ATOM 0 H LEU B 77 -4.166 -1.389 -9.457 1.00 52.24 H new ATOM 0 HA LEU B 77 -3.040 -0.219 -7.181 1.00 52.15 H new ATOM 0 HB2 LEU B 77 -5.402 -0.831 -7.348 1.00 14.55 H new ATOM 0 HB3 LEU B 77 -5.002 -2.528 -7.522 1.00 14.55 H new ATOM 0 HG LEU B 77 -4.177 -2.605 -5.194 1.00 64.42 H new ATOM 0 HD11 LEU B 77 -4.521 -0.725 -3.622 1.00 12.33 H new ATOM 0 HD12 LEU B 77 -3.354 -0.330 -4.906 1.00 12.33 H new ATOM 0 HD13 LEU B 77 -5.013 0.310 -4.984 1.00 12.33 H new ATOM 0 HD21 LEU B 77 -6.359 -2.333 -4.027 1.00 22.10 H new ATOM 0 HD22 LEU B 77 -6.980 -1.431 -5.430 1.00 22.10 H new ATOM 0 HD23 LEU B 77 -6.535 -3.145 -5.600 1.00 22.10 H new ATOM 1364 N LEU B 78 -2.179 -3.386 -7.632 1.00 25.24 N ATOM 1365 CA LEU B 78 -1.181 -4.434 -7.333 1.00 44.05 C ATOM 1366 C LEU B 78 0.254 -3.876 -7.466 1.00 33.02 C ATOM 1367 O LEU B 78 1.106 -4.079 -6.588 1.00 2.44 O ATOM 1368 CB LEU B 78 -1.389 -5.621 -8.310 1.00 31.11 C ATOM 1369 CG LEU B 78 -0.505 -6.884 -8.080 1.00 74.32 C ATOM 1370 CD1 LEU B 78 -0.871 -7.597 -6.759 1.00 31.34 C ATOM 1371 CD2 LEU B 78 -0.583 -7.842 -9.285 1.00 10.20 C ATOM 0 H LEU B 78 -2.839 -3.655 -8.362 1.00 25.24 H new ATOM 0 HA LEU B 78 -1.314 -4.775 -6.306 1.00 44.05 H new ATOM 0 HB2 LEU B 78 -2.435 -5.924 -8.258 1.00 31.11 H new ATOM 0 HB3 LEU B 78 -1.211 -5.262 -9.324 1.00 31.11 H new ATOM 0 HG LEU B 78 0.530 -6.554 -7.990 1.00 74.32 H new ATOM 0 HD11 LEU B 78 -0.235 -8.473 -6.630 1.00 31.34 H new ATOM 0 HD12 LEU B 78 -0.721 -6.914 -5.923 1.00 31.34 H new ATOM 0 HD13 LEU B 78 -1.915 -7.908 -6.791 1.00 31.34 H new ATOM 0 HD21 LEU B 78 0.043 -8.714 -9.097 1.00 10.20 H new ATOM 0 HD22 LEU B 78 -1.615 -8.161 -9.430 1.00 10.20 H new ATOM 0 HD23 LEU B 78 -0.232 -7.329 -10.181 1.00 10.20 H new ATOM 1383 N SER B 79 0.460 -3.114 -8.554 1.00 53.14 N ATOM 1384 CA SER B 79 1.747 -2.524 -8.909 1.00 53.24 C ATOM 1385 C SER B 79 2.123 -1.366 -7.957 1.00 34.14 C ATOM 1386 O SER B 79 3.293 -1.229 -7.613 1.00 70.43 O ATOM 1387 CB SER B 79 1.708 -2.056 -10.381 1.00 52.53 C ATOM 1388 OG SER B 79 2.967 -1.566 -10.801 1.00 43.11 O ATOM 0 H SER B 79 -0.281 -2.891 -9.218 1.00 53.14 H new ATOM 0 HA SER B 79 2.523 -3.282 -8.800 1.00 53.24 H new ATOM 0 HB2 SER B 79 1.407 -2.886 -11.020 1.00 52.53 H new ATOM 0 HB3 SER B 79 0.955 -1.276 -10.496 1.00 52.53 H new ATOM 0 HG SER B 79 2.911 -1.279 -11.736 1.00 43.11 H new ATOM 1394 N VAL B 80 1.113 -0.574 -7.499 1.00 3.11 N ATOM 1395 CA VAL B 80 1.330 0.562 -6.566 1.00 71.44 C ATOM 1396 C VAL B 80 1.947 0.051 -5.262 1.00 44.42 C ATOM 1397 O VAL B 80 2.897 0.643 -4.742 1.00 34.42 O ATOM 1398 CB VAL B 80 -0.004 1.350 -6.226 1.00 23.12 C ATOM 1399 CG1 VAL B 80 0.246 2.498 -5.214 1.00 42.50 C ATOM 1400 CG2 VAL B 80 -0.663 1.904 -7.500 1.00 35.23 C ATOM 0 H VAL B 80 0.137 -0.705 -7.764 1.00 3.11 H new ATOM 0 HA VAL B 80 2.003 1.255 -7.071 1.00 71.44 H new ATOM 0 HB VAL B 80 -0.684 0.634 -5.763 1.00 23.12 H new ATOM 0 HG11 VAL B 80 -0.693 3.012 -5.008 1.00 42.50 H new ATOM 0 HG12 VAL B 80 0.645 2.086 -4.287 1.00 42.50 H new ATOM 0 HG13 VAL B 80 0.962 3.204 -5.634 1.00 42.50 H new ATOM 0 HG21 VAL B 80 -1.575 2.439 -7.235 1.00 35.23 H new ATOM 0 HG22 VAL B 80 0.026 2.586 -7.999 1.00 35.23 H new ATOM 0 HG23 VAL B 80 -0.908 1.080 -8.171 1.00 35.23 H new ATOM 1410 N ILE B 81 1.397 -1.077 -4.774 1.00 13.13 N ATOM 1411 CA ILE B 81 1.887 -1.765 -3.570 1.00 42.32 C ATOM 1412 C ILE B 81 3.380 -2.105 -3.711 1.00 73.54 C ATOM 1413 O ILE B 81 4.190 -1.816 -2.825 1.00 14.43 O ATOM 1414 CB ILE B 81 1.077 -3.083 -3.280 1.00 41.35 C ATOM 1415 CG1 ILE B 81 -0.467 -2.829 -3.271 1.00 5.41 C ATOM 1416 CG2 ILE B 81 1.537 -3.721 -1.959 1.00 21.31 C ATOM 1417 CD1 ILE B 81 -0.954 -1.718 -2.351 1.00 53.41 C ATOM 0 H ILE B 81 0.597 -1.537 -5.208 1.00 13.13 H new ATOM 0 HA ILE B 81 1.745 -1.083 -2.732 1.00 42.32 H new ATOM 0 HB ILE B 81 1.283 -3.780 -4.092 1.00 41.35 H new ATOM 0 HG12 ILE B 81 -0.783 -2.597 -4.288 1.00 5.41 H new ATOM 0 HG13 ILE B 81 -0.966 -3.755 -2.986 1.00 5.41 H new ATOM 0 HG21 ILE B 81 0.965 -4.631 -1.776 1.00 21.31 H new ATOM 0 HG22 ILE B 81 2.597 -3.965 -2.023 1.00 21.31 H new ATOM 0 HG23 ILE B 81 1.375 -3.020 -1.140 1.00 21.31 H new ATOM 0 HD11 ILE B 81 -2.038 -1.632 -2.427 1.00 53.41 H new ATOM 0 HD12 ILE B 81 -0.679 -1.951 -1.322 1.00 53.41 H new ATOM 0 HD13 ILE B 81 -0.494 -0.775 -2.645 1.00 53.41 H new ATOM 1429 N GLU B 82 3.721 -2.651 -4.882 1.00 75.43 N ATOM 1430 CA GLU B 82 5.075 -3.104 -5.204 1.00 32.41 C ATOM 1431 C GLU B 82 6.047 -1.911 -5.285 1.00 62.22 C ATOM 1432 O GLU B 82 7.190 -2.004 -4.841 1.00 2.21 O ATOM 1433 CB GLU B 82 5.013 -3.876 -6.549 1.00 32.24 C ATOM 1434 CG GLU B 82 6.323 -4.520 -7.030 1.00 31.43 C ATOM 1435 CD GLU B 82 6.849 -5.611 -6.095 1.00 73.25 C ATOM 1436 OE1 GLU B 82 6.155 -6.634 -5.897 1.00 52.13 O ATOM 1437 OE2 GLU B 82 7.964 -5.465 -5.562 1.00 5.23 O ATOM 0 H GLU B 82 3.055 -2.792 -5.642 1.00 75.43 H new ATOM 0 HA GLU B 82 5.450 -3.762 -4.420 1.00 32.41 H new ATOM 0 HB2 GLU B 82 4.261 -4.659 -6.459 1.00 32.24 H new ATOM 0 HB3 GLU B 82 4.667 -3.189 -7.321 1.00 32.24 H new ATOM 0 HG2 GLU B 82 6.166 -4.947 -8.021 1.00 31.43 H new ATOM 0 HG3 GLU B 82 7.082 -3.745 -7.134 1.00 31.43 H new ATOM 1444 N GLU B 83 5.558 -0.784 -5.824 1.00 14.13 N ATOM 1445 CA GLU B 83 6.368 0.435 -5.991 1.00 31.44 C ATOM 1446 C GLU B 83 6.666 1.102 -4.639 1.00 22.11 C ATOM 1447 O GLU B 83 7.786 1.580 -4.412 1.00 23.34 O ATOM 1448 CB GLU B 83 5.667 1.430 -6.956 1.00 21.20 C ATOM 1449 CG GLU B 83 5.465 0.893 -8.392 1.00 12.03 C ATOM 1450 CD GLU B 83 6.729 0.257 -9.005 1.00 61.40 C ATOM 1451 OE1 GLU B 83 7.655 0.997 -9.397 1.00 51.03 O ATOM 1452 OE2 GLU B 83 6.804 -0.988 -9.094 1.00 3.33 O ATOM 0 H GLU B 83 4.598 -0.690 -6.155 1.00 14.13 H new ATOM 0 HA GLU B 83 7.322 0.143 -6.430 1.00 31.44 H new ATOM 0 HB2 GLU B 83 4.695 1.696 -6.541 1.00 21.20 H new ATOM 0 HB3 GLU B 83 6.255 2.347 -7.003 1.00 21.20 H new ATOM 0 HG2 GLU B 83 4.665 0.152 -8.383 1.00 12.03 H new ATOM 0 HG3 GLU B 83 5.135 1.711 -9.032 1.00 12.03 H new ATOM 1459 N MET B 84 5.662 1.111 -3.745 1.00 30.34 N ATOM 1460 CA MET B 84 5.806 1.661 -2.387 1.00 34.15 C ATOM 1461 C MET B 84 6.843 0.856 -1.594 1.00 20.34 C ATOM 1462 O MET B 84 7.687 1.430 -0.904 1.00 24.54 O ATOM 1463 CB MET B 84 4.447 1.668 -1.641 1.00 1.23 C ATOM 1464 CG MET B 84 3.404 2.609 -2.243 1.00 23.42 C ATOM 1465 SD MET B 84 1.895 2.710 -1.259 1.00 42.43 S ATOM 1466 CE MET B 84 1.326 1.018 -1.240 1.00 72.03 C ATOM 0 H MET B 84 4.733 0.739 -3.942 1.00 30.34 H new ATOM 0 HA MET B 84 6.150 2.692 -2.474 1.00 34.15 H new ATOM 0 HB2 MET B 84 4.044 0.655 -1.634 1.00 1.23 H new ATOM 0 HB3 MET B 84 4.618 1.950 -0.602 1.00 1.23 H new ATOM 0 HG2 MET B 84 3.835 3.605 -2.341 1.00 23.42 H new ATOM 0 HG3 MET B 84 3.154 2.270 -3.248 1.00 23.42 H new ATOM 0 HE1 MET B 84 0.358 0.965 -0.741 1.00 72.03 H new ATOM 0 HE2 MET B 84 1.227 0.656 -2.263 1.00 72.03 H new ATOM 0 HE3 MET B 84 2.045 0.398 -0.704 1.00 72.03 H new ATOM 1476 N GLY B 85 6.803 -0.484 -1.776 1.00 33.22 N ATOM 1477 CA GLY B 85 7.737 -1.409 -1.124 1.00 1.43 C ATOM 1478 C GLY B 85 9.201 -1.147 -1.443 1.00 14.53 C ATOM 1479 O GLY B 85 10.089 -1.559 -0.700 1.00 1.14 O ATOM 0 H GLY B 85 6.122 -0.946 -2.379 1.00 33.22 H new ATOM 0 HA2 GLY B 85 7.596 -1.349 -0.045 1.00 1.43 H new ATOM 0 HA3 GLY B 85 7.489 -2.428 -1.422 1.00 1.43 H new ATOM 1483 N LYS B 86 9.441 -0.443 -2.552 1.00 32.45 N ATOM 1484 CA LYS B 86 10.783 -0.085 -3.014 1.00 25.05 C ATOM 1485 C LYS B 86 11.213 1.232 -2.357 1.00 44.22 C ATOM 1486 O LYS B 86 12.362 1.383 -1.943 1.00 14.12 O ATOM 1487 CB LYS B 86 10.773 0.027 -4.560 1.00 41.40 C ATOM 1488 CG LYS B 86 10.319 -1.275 -5.260 1.00 43.34 C ATOM 1489 CD LYS B 86 10.141 -1.110 -6.784 1.00 15.34 C ATOM 1490 CE LYS B 86 9.635 -2.391 -7.460 1.00 32.11 C ATOM 1491 NZ LYS B 86 9.462 -2.207 -8.924 1.00 52.43 N ATOM 0 H LYS B 86 8.698 -0.101 -3.162 1.00 32.45 H new ATOM 0 HA LYS B 86 11.502 -0.853 -2.731 1.00 25.05 H new ATOM 0 HB2 LYS B 86 10.111 0.841 -4.855 1.00 41.40 H new ATOM 0 HB3 LYS B 86 11.773 0.289 -4.906 1.00 41.40 H new ATOM 0 HG2 LYS B 86 11.052 -2.059 -5.068 1.00 43.34 H new ATOM 0 HG3 LYS B 86 9.377 -1.606 -4.823 1.00 43.34 H new ATOM 0 HD2 LYS B 86 9.439 -0.299 -6.979 1.00 15.34 H new ATOM 0 HD3 LYS B 86 11.093 -0.821 -7.228 1.00 15.34 H new ATOM 0 HE2 LYS B 86 10.339 -3.202 -7.276 1.00 32.11 H new ATOM 0 HE3 LYS B 86 8.685 -2.686 -7.015 1.00 32.11 H new ATOM 0 HZ1 LYS B 86 9.522 -3.130 -9.399 1.00 52.43 H new ATOM 0 HZ2 LYS B 86 8.533 -1.780 -9.113 1.00 52.43 H new ATOM 0 HZ3 LYS B 86 10.210 -1.582 -9.286 1.00 52.43 H new ATOM 1505 N GLU B 87 10.247 2.159 -2.210 1.00 52.04 N ATOM 1506 CA GLU B 87 10.502 3.520 -1.698 1.00 42.23 C ATOM 1507 C GLU B 87 10.713 3.545 -0.178 1.00 35.52 C ATOM 1508 O GLU B 87 11.194 4.546 0.347 1.00 41.21 O ATOM 1509 CB GLU B 87 9.344 4.479 -2.084 1.00 40.52 C ATOM 1510 CG GLU B 87 9.108 4.597 -3.600 1.00 2.41 C ATOM 1511 CD GLU B 87 10.395 4.913 -4.393 1.00 71.25 C ATOM 1512 OE1 GLU B 87 11.030 5.962 -4.130 1.00 30.13 O ATOM 1513 OE2 GLU B 87 10.774 4.120 -5.282 1.00 44.12 O ATOM 0 H GLU B 87 9.269 1.986 -2.442 1.00 52.04 H new ATOM 0 HA GLU B 87 11.426 3.860 -2.165 1.00 42.23 H new ATOM 0 HB2 GLU B 87 8.426 4.133 -1.610 1.00 40.52 H new ATOM 0 HB3 GLU B 87 9.557 5.469 -1.682 1.00 40.52 H new ATOM 0 HG2 GLU B 87 8.682 3.664 -3.969 1.00 2.41 H new ATOM 0 HG3 GLU B 87 8.372 5.379 -3.787 1.00 2.41 H new ATOM 1520 N ILE B 88 10.388 2.436 0.508 1.00 30.42 N ATOM 1521 CA ILE B 88 10.535 2.315 1.975 1.00 3.14 C ATOM 1522 C ILE B 88 12.015 2.448 2.400 1.00 42.13 C ATOM 1523 O ILE B 88 12.314 3.086 3.413 1.00 31.12 O ATOM 1524 CB ILE B 88 9.953 0.942 2.493 1.00 63.11 C ATOM 1525 CG1 ILE B 88 8.452 0.811 2.111 1.00 1.12 C ATOM 1526 CG2 ILE B 88 10.150 0.772 4.024 1.00 64.43 C ATOM 1527 CD1 ILE B 88 7.823 -0.514 2.477 1.00 10.32 C ATOM 0 H ILE B 88 10.016 1.596 0.064 1.00 30.42 H new ATOM 0 HA ILE B 88 9.967 3.129 2.426 1.00 3.14 H new ATOM 0 HB ILE B 88 10.510 0.142 2.005 1.00 63.11 H new ATOM 0 HG12 ILE B 88 7.895 1.610 2.600 1.00 1.12 H new ATOM 0 HG13 ILE B 88 8.349 0.962 1.036 1.00 1.12 H new ATOM 0 HG21 ILE B 88 9.736 -0.185 4.340 1.00 64.43 H new ATOM 0 HG22 ILE B 88 11.214 0.803 4.260 1.00 64.43 H new ATOM 0 HG23 ILE B 88 9.639 1.579 4.548 1.00 64.43 H new ATOM 0 HD11 ILE B 88 6.776 -0.516 2.174 1.00 10.32 H new ATOM 0 HD12 ILE B 88 8.350 -1.320 1.967 1.00 10.32 H new ATOM 0 HD13 ILE B 88 7.889 -0.663 3.555 1.00 10.32 H new ATOM 1539 N ARG B 89 12.924 1.849 1.604 1.00 13.12 N ATOM 1540 CA ARG B 89 14.365 1.826 1.917 1.00 11.20 C ATOM 1541 C ARG B 89 15.004 3.260 1.868 1.00 25.11 C ATOM 1542 O ARG B 89 15.636 3.655 2.855 1.00 61.33 O ATOM 1543 CB ARG B 89 15.124 0.816 1.007 1.00 32.01 C ATOM 1544 CG ARG B 89 16.608 0.641 1.391 1.00 55.42 C ATOM 1545 CD ARG B 89 17.404 -0.241 0.422 1.00 72.44 C ATOM 1546 NE ARG B 89 18.813 -0.350 0.833 1.00 42.42 N ATOM 1547 CZ ARG B 89 19.792 -0.940 0.132 1.00 12.04 C ATOM 1548 NH1 ARG B 89 19.547 -1.493 -1.057 1.00 41.41 N ATOM 1549 NH2 ARG B 89 21.013 -1.003 0.645 1.00 43.15 N ATOM 0 H ARG B 89 12.682 1.373 0.735 1.00 13.12 H new ATOM 0 HA ARG B 89 14.468 1.478 2.945 1.00 11.20 H new ATOM 0 HB2 ARG B 89 14.627 -0.153 1.058 1.00 32.01 H new ATOM 0 HB3 ARG B 89 15.061 1.153 -0.028 1.00 32.01 H new ATOM 0 HG2 ARG B 89 17.078 1.623 1.441 1.00 55.42 H new ATOM 0 HG3 ARG B 89 16.665 0.209 2.390 1.00 55.42 H new ATOM 0 HD2 ARG B 89 16.957 -1.234 0.380 1.00 72.44 H new ATOM 0 HD3 ARG B 89 17.347 0.176 -0.583 1.00 72.44 H new ATOM 0 HE ARG B 89 19.068 0.060 1.732 1.00 42.42 H new ATOM 0 HH11 ARG B 89 18.604 -1.471 -1.445 1.00 41.41 H new ATOM 0 HH12 ARG B 89 20.303 -1.938 -1.578 1.00 41.41 H new ATOM 0 HH21 ARG B 89 21.201 -0.605 1.565 1.00 43.15 H new ATOM 0 HH22 ARG B 89 21.764 -1.450 0.120 1.00 43.15 H new ATOM 1563 N PRO B 90 14.869 4.062 0.747 1.00 22.13 N ATOM 1564 CA PRO B 90 15.378 5.464 0.717 1.00 32.33 C ATOM 1565 C PRO B 90 14.642 6.396 1.713 1.00 44.12 C ATOM 1566 O PRO B 90 15.268 7.307 2.264 1.00 11.12 O ATOM 1567 CB PRO B 90 15.195 5.900 -0.757 1.00 23.32 C ATOM 1568 CG PRO B 90 14.131 4.991 -1.296 1.00 54.12 C ATOM 1569 CD PRO B 90 14.308 3.679 -0.576 1.00 1.54 C ATOM 0 HA PRO B 90 16.417 5.527 1.039 1.00 32.33 H new ATOM 0 HB2 PRO B 90 14.894 6.945 -0.826 1.00 23.32 H new ATOM 0 HB3 PRO B 90 16.124 5.798 -1.318 1.00 23.32 H new ATOM 0 HG2 PRO B 90 13.138 5.403 -1.119 1.00 54.12 H new ATOM 0 HG3 PRO B 90 14.235 4.863 -2.373 1.00 54.12 H new ATOM 0 HD2 PRO B 90 13.360 3.152 -0.469 1.00 1.54 H new ATOM 0 HD3 PRO B 90 14.982 3.015 -1.117 1.00 1.54 H new ATOM 1577 N THR B 91 13.328 6.155 1.944 1.00 34.12 N ATOM 1578 CA THR B 91 12.551 6.850 3.004 1.00 13.34 C ATOM 1579 C THR B 91 13.247 6.675 4.369 1.00 31.15 C ATOM 1580 O THR B 91 13.518 7.646 5.083 1.00 23.42 O ATOM 1581 CB THR B 91 11.092 6.296 3.076 1.00 0.43 C ATOM 1582 OG1 THR B 91 10.391 6.658 1.885 1.00 63.44 O ATOM 1583 CG2 THR B 91 10.307 6.789 4.315 1.00 41.35 C ATOM 0 H THR B 91 12.781 5.481 1.408 1.00 34.12 H new ATOM 0 HA THR B 91 12.506 7.911 2.757 1.00 13.34 H new ATOM 0 HB THR B 91 11.167 5.213 3.168 1.00 0.43 H new ATOM 0 HG1 THR B 91 10.627 6.037 1.165 1.00 63.44 H new ATOM 0 HG21 THR B 91 9.303 6.366 4.301 1.00 41.35 H new ATOM 0 HG22 THR B 91 10.822 6.472 5.222 1.00 41.35 H new ATOM 0 HG23 THR B 91 10.243 7.877 4.296 1.00 41.35 H new ATOM 1591 N TYR B 92 13.567 5.410 4.667 1.00 71.25 N ATOM 1592 CA TYR B 92 14.285 5.015 5.871 1.00 14.04 C ATOM 1593 C TYR B 92 15.683 5.664 5.919 1.00 53.44 C ATOM 1594 O TYR B 92 16.157 6.032 6.989 1.00 24.24 O ATOM 1595 CB TYR B 92 14.391 3.469 5.927 1.00 43.41 C ATOM 1596 CG TYR B 92 15.176 2.954 7.132 1.00 1.14 C ATOM 1597 CD1 TYR B 92 14.645 3.036 8.411 1.00 54.50 C ATOM 1598 CD2 TYR B 92 16.463 2.433 6.995 1.00 74.14 C ATOM 1599 CE1 TYR B 92 15.354 2.613 9.500 1.00 23.35 C ATOM 1600 CE2 TYR B 92 17.182 2.015 8.087 1.00 73.53 C ATOM 1601 CZ TYR B 92 16.627 2.106 9.341 1.00 44.11 C ATOM 1602 OH TYR B 92 17.353 1.694 10.437 1.00 24.55 O ATOM 0 H TYR B 92 13.327 4.623 4.064 1.00 71.25 H new ATOM 0 HA TYR B 92 13.732 5.365 6.743 1.00 14.04 H new ATOM 0 HB2 TYR B 92 13.387 3.045 5.949 1.00 43.41 H new ATOM 0 HB3 TYR B 92 14.868 3.112 5.014 1.00 43.41 H new ATOM 0 HD1 TYR B 92 13.653 3.441 8.549 1.00 54.50 H new ATOM 0 HD2 TYR B 92 16.902 2.357 6.011 1.00 74.14 H new ATOM 0 HE1 TYR B 92 14.917 2.676 10.486 1.00 23.35 H new ATOM 0 HE2 TYR B 92 18.178 1.617 7.961 1.00 73.53 H new ATOM 0 HH TYR B 92 18.228 1.363 10.144 1.00 24.55 H new ATOM 1612 N ALA B 93 16.309 5.833 4.744 1.00 3.43 N ATOM 1613 CA ALA B 93 17.683 6.359 4.623 1.00 14.31 C ATOM 1614 C ALA B 93 17.730 7.899 4.736 1.00 74.03 C ATOM 1615 O ALA B 93 18.792 8.504 4.565 1.00 4.15 O ATOM 1616 CB ALA B 93 18.294 5.877 3.296 1.00 74.40 C ATOM 0 H ALA B 93 15.878 5.609 3.847 1.00 3.43 H new ATOM 0 HA ALA B 93 18.274 5.975 5.454 1.00 14.31 H new ATOM 0 HB1 ALA B 93 19.309 6.263 3.201 1.00 74.40 H new ATOM 0 HB2 ALA B 93 18.317 4.787 3.281 1.00 74.40 H new ATOM 0 HB3 ALA B 93 17.689 6.239 2.464 1.00 74.40 H new ATOM 1622 N GLY B 94 16.575 8.526 5.042 1.00 50.25 N ATOM 1623 CA GLY B 94 16.504 9.968 5.282 1.00 53.15 C ATOM 1624 C GLY B 94 16.073 10.778 4.067 1.00 15.20 C ATOM 1625 O GLY B 94 15.946 12.002 4.172 1.00 2.35 O ATOM 0 H GLY B 94 15.679 8.046 5.127 1.00 50.25 H new ATOM 0 HA2 GLY B 94 15.806 10.156 6.098 1.00 53.15 H new ATOM 0 HA3 GLY B 94 17.482 10.320 5.612 1.00 53.15 H new ATOM 1629 N SER B 95 15.847 10.108 2.920 1.00 4.32 N ATOM 1630 CA SER B 95 15.377 10.769 1.695 1.00 14.14 C ATOM 1631 C SER B 95 13.897 11.165 1.838 1.00 1.41 C ATOM 1632 O SER B 95 13.003 10.320 1.712 1.00 61.42 O ATOM 1633 CB SER B 95 15.585 9.860 0.460 1.00 70.44 C ATOM 1634 OG SER B 95 15.197 10.509 -0.739 1.00 13.51 O ATOM 0 H SER B 95 15.985 9.102 2.820 1.00 4.32 H new ATOM 0 HA SER B 95 15.966 11.674 1.546 1.00 14.14 H new ATOM 0 HB2 SER B 95 16.634 9.570 0.394 1.00 70.44 H new ATOM 0 HB3 SER B 95 15.008 8.943 0.581 1.00 70.44 H new ATOM 0 HG SER B 95 15.343 9.907 -1.499 1.00 13.51 H new ATOM 1640 N LYS B 96 13.673 12.451 2.165 1.00 13.24 N ATOM 1641 CA LYS B 96 12.329 13.051 2.267 1.00 11.42 C ATOM 1642 C LYS B 96 11.611 13.108 0.910 1.00 62.32 C ATOM 1643 O LYS B 96 10.387 13.182 0.865 1.00 71.54 O ATOM 1644 CB LYS B 96 12.410 14.461 2.895 1.00 65.02 C ATOM 1645 CG LYS B 96 13.242 15.479 2.092 1.00 21.10 C ATOM 1646 CD LYS B 96 13.314 16.858 2.783 1.00 23.14 C ATOM 1647 CE LYS B 96 13.990 17.919 1.907 1.00 51.44 C ATOM 1648 NZ LYS B 96 13.963 19.253 2.547 1.00 63.02 N ATOM 0 H LYS B 96 14.426 13.109 2.368 1.00 13.24 H new ATOM 0 HA LYS B 96 11.739 12.405 2.917 1.00 11.42 H new ATOM 0 HB2 LYS B 96 11.399 14.850 3.011 1.00 65.02 H new ATOM 0 HB3 LYS B 96 12.835 14.374 3.895 1.00 65.02 H new ATOM 0 HG2 LYS B 96 14.252 15.091 1.955 1.00 21.10 H new ATOM 0 HG3 LYS B 96 12.808 15.596 1.099 1.00 21.10 H new ATOM 0 HD2 LYS B 96 12.306 17.188 3.035 1.00 23.14 H new ATOM 0 HD3 LYS B 96 13.862 16.763 3.721 1.00 23.14 H new ATOM 0 HE2 LYS B 96 15.023 17.628 1.714 1.00 51.44 H new ATOM 0 HE3 LYS B 96 13.487 17.968 0.941 1.00 51.44 H new ATOM 0 HZ1 LYS B 96 14.429 19.945 1.926 1.00 63.02 H new ATOM 0 HZ2 LYS B 96 12.977 19.541 2.708 1.00 63.02 H new ATOM 0 HZ3 LYS B 96 14.464 19.212 3.457 1.00 63.02 H new ATOM 1662 N SER B 97 12.394 13.099 -0.180 1.00 60.14 N ATOM 1663 CA SER B 97 11.865 13.066 -1.545 1.00 51.24 C ATOM 1664 C SER B 97 11.185 11.710 -1.825 1.00 64.03 C ATOM 1665 O SER B 97 10.054 11.665 -2.319 1.00 64.40 O ATOM 1666 CB SER B 97 12.998 13.347 -2.556 1.00 73.20 C ATOM 1667 OG SER B 97 14.081 12.445 -2.391 1.00 45.50 O ATOM 0 H SER B 97 13.413 13.114 -0.135 1.00 60.14 H new ATOM 0 HA SER B 97 11.110 13.844 -1.656 1.00 51.24 H new ATOM 0 HB2 SER B 97 12.609 13.267 -3.571 1.00 73.20 H new ATOM 0 HB3 SER B 97 13.353 14.370 -2.430 1.00 73.20 H new ATOM 0 HG SER B 97 14.034 12.036 -1.502 1.00 45.50 H new ATOM 1673 N ALA B 98 11.888 10.612 -1.478 1.00 14.51 N ATOM 1674 CA ALA B 98 11.359 9.243 -1.595 1.00 43.43 C ATOM 1675 C ALA B 98 10.240 8.980 -0.578 1.00 3.41 C ATOM 1676 O ALA B 98 9.336 8.197 -0.850 1.00 31.31 O ATOM 1677 CB ALA B 98 12.484 8.238 -1.409 1.00 3.31 C ATOM 0 H ALA B 98 12.838 10.653 -1.109 1.00 14.51 H new ATOM 0 HA ALA B 98 10.932 9.131 -2.592 1.00 43.43 H new ATOM 0 HB1 ALA B 98 12.087 7.227 -1.497 1.00 3.31 H new ATOM 0 HB2 ALA B 98 13.244 8.397 -2.174 1.00 3.31 H new ATOM 0 HB3 ALA B 98 12.929 8.369 -0.423 1.00 3.31 H new ATOM 1683 N MET B 99 10.342 9.636 0.597 1.00 74.52 N ATOM 1684 CA MET B 99 9.325 9.577 1.668 1.00 41.44 C ATOM 1685 C MET B 99 8.013 10.206 1.197 1.00 44.32 C ATOM 1686 O MET B 99 6.940 9.649 1.402 1.00 4.03 O ATOM 1687 CB MET B 99 9.876 10.277 2.947 1.00 24.22 C ATOM 1688 CG MET B 99 8.909 10.358 4.153 1.00 64.03 C ATOM 1689 SD MET B 99 7.635 11.631 3.990 1.00 71.34 S ATOM 1690 CE MET B 99 8.622 13.116 3.823 1.00 34.23 C ATOM 0 H MET B 99 11.140 10.227 0.831 1.00 74.52 H new ATOM 0 HA MET B 99 9.113 8.536 1.913 1.00 41.44 H new ATOM 0 HB2 MET B 99 10.776 9.751 3.265 1.00 24.22 H new ATOM 0 HB3 MET B 99 10.177 11.290 2.680 1.00 24.22 H new ATOM 0 HG2 MET B 99 8.426 9.390 4.284 1.00 64.03 H new ATOM 0 HG3 MET B 99 9.487 10.551 5.057 1.00 64.03 H new ATOM 0 HE1 MET B 99 8.160 13.926 4.388 1.00 34.23 H new ATOM 0 HE2 MET B 99 9.625 12.932 4.208 1.00 34.23 H new ATOM 0 HE3 MET B 99 8.683 13.396 2.771 1.00 34.23 H new ATOM 1700 N GLU B 100 8.137 11.361 0.530 1.00 23.33 N ATOM 1701 CA GLU B 100 7.005 12.113 -0.032 1.00 74.13 C ATOM 1702 C GLU B 100 6.338 11.315 -1.177 1.00 12.12 C ATOM 1703 O GLU B 100 5.111 11.364 -1.349 1.00 4.24 O ATOM 1704 CB GLU B 100 7.514 13.494 -0.520 1.00 4.52 C ATOM 1705 CG GLU B 100 6.435 14.450 -1.055 1.00 72.22 C ATOM 1706 CD GLU B 100 7.024 15.783 -1.527 1.00 60.43 C ATOM 1707 OE1 GLU B 100 7.622 15.816 -2.621 1.00 41.44 O ATOM 1708 OE2 GLU B 100 6.927 16.792 -0.799 1.00 24.55 O ATOM 0 H GLU B 100 9.039 11.807 0.363 1.00 23.33 H new ATOM 0 HA GLU B 100 6.246 12.269 0.734 1.00 74.13 H new ATOM 0 HB2 GLU B 100 8.030 13.983 0.306 1.00 4.52 H new ATOM 0 HB3 GLU B 100 8.252 13.332 -1.306 1.00 4.52 H new ATOM 0 HG2 GLU B 100 5.909 13.974 -1.882 1.00 72.22 H new ATOM 0 HG3 GLU B 100 5.698 14.637 -0.274 1.00 72.22 H new ATOM 1715 N ARG B 101 7.168 10.568 -1.939 1.00 62.14 N ATOM 1716 CA ARG B 101 6.694 9.653 -2.996 1.00 54.13 C ATOM 1717 C ARG B 101 5.966 8.443 -2.380 1.00 65.45 C ATOM 1718 O ARG B 101 4.932 8.002 -2.894 1.00 42.42 O ATOM 1719 CB ARG B 101 7.886 9.177 -3.881 1.00 40.51 C ATOM 1720 CG ARG B 101 7.548 8.004 -4.839 1.00 20.42 C ATOM 1721 CD ARG B 101 8.630 7.730 -5.885 1.00 3.24 C ATOM 1722 NE ARG B 101 8.315 6.539 -6.698 1.00 2.31 N ATOM 1723 CZ ARG B 101 8.345 6.482 -8.040 1.00 61.52 C ATOM 1724 NH1 ARG B 101 8.692 7.550 -8.763 1.00 72.43 N ATOM 1725 NH2 ARG B 101 8.026 5.353 -8.656 1.00 54.53 N ATOM 0 H ARG B 101 8.183 10.584 -1.837 1.00 62.14 H new ATOM 0 HA ARG B 101 5.989 10.195 -3.627 1.00 54.13 H new ATOM 0 HB2 ARG B 101 8.243 10.021 -4.472 1.00 40.51 H new ATOM 0 HB3 ARG B 101 8.706 8.873 -3.231 1.00 40.51 H new ATOM 0 HG2 ARG B 101 7.388 7.101 -4.250 1.00 20.42 H new ATOM 0 HG3 ARG B 101 6.610 8.222 -5.349 1.00 20.42 H new ATOM 0 HD2 ARG B 101 8.734 8.598 -6.536 1.00 3.24 H new ATOM 0 HD3 ARG B 101 9.589 7.588 -5.387 1.00 3.24 H new ATOM 0 HE ARG B 101 8.053 5.689 -6.200 1.00 2.31 H new ATOM 0 HH11 ARG B 101 8.939 8.423 -8.297 1.00 72.43 H new ATOM 0 HH12 ARG B 101 8.710 7.492 -9.781 1.00 72.43 H new ATOM 0 HH21 ARG B 101 7.759 4.533 -8.112 1.00 54.53 H new ATOM 0 HH22 ARG B 101 8.047 5.304 -9.675 1.00 54.53 H new ATOM 1739 N LEU B 102 6.518 7.929 -1.272 1.00 43.13 N ATOM 1740 CA LEU B 102 5.967 6.777 -0.545 1.00 10.43 C ATOM 1741 C LEU B 102 4.565 7.106 0.009 1.00 4.52 C ATOM 1742 O LEU B 102 3.642 6.287 -0.098 1.00 4.42 O ATOM 1743 CB LEU B 102 6.950 6.372 0.586 1.00 73.41 C ATOM 1744 CG LEU B 102 6.549 5.151 1.469 1.00 10.14 C ATOM 1745 CD1 LEU B 102 6.281 3.894 0.631 1.00 23.21 C ATOM 1746 CD2 LEU B 102 7.618 4.878 2.535 1.00 10.44 C ATOM 0 H LEU B 102 7.368 8.305 -0.851 1.00 43.13 H new ATOM 0 HA LEU B 102 5.853 5.933 -1.225 1.00 10.43 H new ATOM 0 HB2 LEU B 102 7.918 6.159 0.133 1.00 73.41 H new ATOM 0 HB3 LEU B 102 7.087 7.233 1.240 1.00 73.41 H new ATOM 0 HG LEU B 102 5.615 5.408 1.969 1.00 10.14 H new ATOM 0 HD11 LEU B 102 6.005 3.070 1.289 1.00 23.21 H new ATOM 0 HD12 LEU B 102 5.467 4.089 -0.067 1.00 23.21 H new ATOM 0 HD13 LEU B 102 7.180 3.629 0.075 1.00 23.21 H new ATOM 0 HD21 LEU B 102 7.318 4.022 3.140 1.00 10.44 H new ATOM 0 HD22 LEU B 102 8.570 4.663 2.049 1.00 10.44 H new ATOM 0 HD23 LEU B 102 7.726 5.754 3.174 1.00 10.44 H new ATOM 1758 N LYS B 103 4.424 8.331 0.557 1.00 63.32 N ATOM 1759 CA LYS B 103 3.138 8.868 1.035 1.00 1.45 C ATOM 1760 C LYS B 103 2.130 8.967 -0.110 1.00 14.21 C ATOM 1761 O LYS B 103 0.990 8.534 0.032 1.00 43.55 O ATOM 1762 CB LYS B 103 3.332 10.261 1.675 1.00 65.01 C ATOM 1763 CG LYS B 103 4.213 10.275 2.937 1.00 51.03 C ATOM 1764 CD LYS B 103 4.372 11.695 3.524 1.00 12.54 C ATOM 1765 CE LYS B 103 3.036 12.327 3.945 1.00 71.54 C ATOM 1766 NZ LYS B 103 3.210 13.713 4.449 1.00 75.13 N ATOM 0 H LYS B 103 5.204 8.976 0.680 1.00 63.32 H new ATOM 0 HA LYS B 103 2.751 8.181 1.788 1.00 1.45 H new ATOM 0 HB2 LYS B 103 3.773 10.927 0.934 1.00 65.01 H new ATOM 0 HB3 LYS B 103 2.353 10.669 1.928 1.00 65.01 H new ATOM 0 HG2 LYS B 103 3.776 9.620 3.690 1.00 51.03 H new ATOM 0 HG3 LYS B 103 5.196 9.872 2.696 1.00 51.03 H new ATOM 0 HD2 LYS B 103 5.035 11.652 4.388 1.00 12.54 H new ATOM 0 HD3 LYS B 103 4.853 12.335 2.785 1.00 12.54 H new ATOM 0 HE2 LYS B 103 2.354 12.334 3.095 1.00 71.54 H new ATOM 0 HE3 LYS B 103 2.574 11.715 4.720 1.00 71.54 H new ATOM 0 HZ1 LYS B 103 2.285 14.102 4.722 1.00 75.13 H new ATOM 0 HZ2 LYS B 103 3.840 13.705 5.276 1.00 75.13 H new ATOM 0 HZ3 LYS B 103 3.627 14.304 3.702 1.00 75.13 H new ATOM 1780 N ARG B 104 2.585 9.518 -1.252 1.00 32.23 N ATOM 1781 CA ARG B 104 1.760 9.667 -2.466 1.00 23.42 C ATOM 1782 C ARG B 104 1.232 8.302 -2.943 1.00 33.33 C ATOM 1783 O ARG B 104 0.127 8.213 -3.483 1.00 33.00 O ATOM 1784 CB ARG B 104 2.588 10.335 -3.588 1.00 23.33 C ATOM 1785 CG ARG B 104 1.817 10.565 -4.905 1.00 25.11 C ATOM 1786 CD ARG B 104 2.687 11.112 -6.045 1.00 24.31 C ATOM 1787 NE ARG B 104 1.927 11.206 -7.311 1.00 40.11 N ATOM 1788 CZ ARG B 104 2.344 10.789 -8.513 1.00 71.51 C ATOM 1789 NH1 ARG B 104 3.538 10.225 -8.672 1.00 54.35 N ATOM 1790 NH2 ARG B 104 1.561 10.925 -9.575 1.00 34.24 N ATOM 0 H ARG B 104 3.535 9.872 -1.359 1.00 32.23 H new ATOM 0 HA ARG B 104 0.905 10.299 -2.224 1.00 23.42 H new ATOM 0 HB2 ARG B 104 2.958 11.294 -3.227 1.00 23.33 H new ATOM 0 HB3 ARG B 104 3.460 9.715 -3.796 1.00 23.33 H new ATOM 0 HG2 ARG B 104 1.369 9.623 -5.222 1.00 25.11 H new ATOM 0 HG3 ARG B 104 0.999 11.261 -4.719 1.00 25.11 H new ATOM 0 HD2 ARG B 104 3.067 12.097 -5.774 1.00 24.31 H new ATOM 0 HD3 ARG B 104 3.552 10.465 -6.186 1.00 24.31 H new ATOM 0 HE ARG B 104 0.999 11.628 -7.264 1.00 40.11 H new ATOM 0 HH11 ARG B 104 4.155 10.103 -7.869 1.00 54.35 H new ATOM 0 HH12 ARG B 104 3.836 9.914 -9.597 1.00 54.35 H new ATOM 0 HH21 ARG B 104 0.638 11.348 -9.477 1.00 34.24 H new ATOM 0 HH22 ARG B 104 1.882 10.606 -10.489 1.00 34.24 H new ATOM 1804 N GLY B 105 2.050 7.250 -2.729 1.00 4.41 N ATOM 1805 CA GLY B 105 1.660 5.880 -3.025 1.00 45.40 C ATOM 1806 C GLY B 105 0.480 5.406 -2.191 1.00 15.31 C ATOM 1807 O GLY B 105 -0.343 4.633 -2.681 1.00 71.11 O ATOM 0 H GLY B 105 2.992 7.339 -2.348 1.00 4.41 H new ATOM 0 HA2 GLY B 105 1.406 5.800 -4.082 1.00 45.40 H new ATOM 0 HA3 GLY B 105 2.510 5.220 -2.851 1.00 45.40 H new ATOM 1811 N ILE B 106 0.402 5.859 -0.927 1.00 22.35 N ATOM 1812 CA ILE B 106 -0.753 5.582 -0.051 1.00 61.42 C ATOM 1813 C ILE B 106 -2.002 6.337 -0.556 1.00 33.40 C ATOM 1814 O ILE B 106 -3.082 5.759 -0.595 1.00 1.40 O ATOM 1815 CB ILE B 106 -0.432 5.903 1.480 1.00 72.14 C ATOM 1816 CG1 ILE B 106 0.313 4.704 2.170 1.00 63.42 C ATOM 1817 CG2 ILE B 106 -1.701 6.287 2.303 1.00 32.24 C ATOM 1818 CD1 ILE B 106 1.670 4.335 1.608 1.00 11.32 C ATOM 0 H ILE B 106 1.129 6.422 -0.486 1.00 22.35 H new ATOM 0 HA ILE B 106 -0.966 4.514 -0.097 1.00 61.42 H new ATOM 0 HB ILE B 106 0.223 6.774 1.471 1.00 72.14 H new ATOM 0 HG12 ILE B 106 0.435 4.942 3.227 1.00 63.42 H new ATOM 0 HG13 ILE B 106 -0.330 3.825 2.113 1.00 63.42 H new ATOM 0 HG21 ILE B 106 -1.417 6.493 3.335 1.00 32.24 H new ATOM 0 HG22 ILE B 106 -2.161 7.175 1.869 1.00 32.24 H new ATOM 0 HG23 ILE B 106 -2.413 5.462 2.281 1.00 32.24 H new ATOM 0 HD11 ILE B 106 2.080 3.495 2.169 1.00 11.32 H new ATOM 0 HD12 ILE B 106 1.566 4.055 0.560 1.00 11.32 H new ATOM 0 HD13 ILE B 106 2.342 5.189 1.691 1.00 11.32 H new ATOM 1830 N ILE B 107 -1.834 7.609 -0.978 1.00 34.21 N ATOM 1831 CA ILE B 107 -2.939 8.409 -1.579 1.00 13.03 C ATOM 1832 C ILE B 107 -3.463 7.711 -2.860 1.00 51.05 C ATOM 1833 O ILE B 107 -4.678 7.649 -3.115 1.00 70.25 O ATOM 1834 CB ILE B 107 -2.482 9.904 -1.886 1.00 61.14 C ATOM 1835 CG1 ILE B 107 -2.446 10.776 -0.578 1.00 25.30 C ATOM 1836 CG2 ILE B 107 -3.383 10.588 -2.950 1.00 54.12 C ATOM 1837 CD1 ILE B 107 -1.449 10.340 0.473 1.00 75.33 C ATOM 0 H ILE B 107 -0.947 8.109 -0.916 1.00 34.21 H new ATOM 0 HA ILE B 107 -3.751 8.466 -0.854 1.00 13.03 H new ATOM 0 HB ILE B 107 -1.473 9.836 -2.292 1.00 61.14 H new ATOM 0 HG12 ILE B 107 -2.226 11.807 -0.856 1.00 25.30 H new ATOM 0 HG13 ILE B 107 -3.441 10.772 -0.133 1.00 25.30 H new ATOM 0 HG21 ILE B 107 -3.032 11.605 -3.125 1.00 54.12 H new ATOM 0 HG22 ILE B 107 -3.339 10.023 -3.881 1.00 54.12 H new ATOM 0 HG23 ILE B 107 -4.412 10.616 -2.591 1.00 54.12 H new ATOM 0 HD11 ILE B 107 -1.509 11.010 1.331 1.00 75.33 H new ATOM 0 HD12 ILE B 107 -1.677 9.322 0.790 1.00 75.33 H new ATOM 0 HD13 ILE B 107 -0.443 10.373 0.056 1.00 75.33 H new ATOM 1849 N HIS B 108 -2.506 7.134 -3.614 1.00 22.02 N ATOM 1850 CA HIS B 108 -2.765 6.444 -4.876 1.00 65.22 C ATOM 1851 C HIS B 108 -3.583 5.165 -4.607 1.00 61.25 C ATOM 1852 O HIS B 108 -4.699 5.012 -5.111 1.00 24.01 O ATOM 1853 CB HIS B 108 -1.419 6.121 -5.587 1.00 44.13 C ATOM 1854 CG HIS B 108 -1.526 5.672 -7.022 1.00 15.23 C ATOM 1855 ND1 HIS B 108 -0.433 5.596 -7.843 1.00 22.33 N ATOM 1856 CD2 HIS B 108 -2.581 5.290 -7.788 1.00 32.54 C ATOM 1857 CE1 HIS B 108 -0.801 5.202 -9.034 1.00 14.52 C ATOM 1858 NE2 HIS B 108 -2.097 5.011 -9.032 1.00 74.32 N ATOM 0 H HIS B 108 -1.520 7.139 -3.352 1.00 22.02 H new ATOM 0 HA HIS B 108 -3.347 7.086 -5.537 1.00 65.22 H new ATOM 0 HB2 HIS B 108 -0.788 7.009 -5.550 1.00 44.13 H new ATOM 0 HB3 HIS B 108 -0.908 5.343 -5.020 1.00 44.13 H new ATOM 0 HD2 HIS B 108 -3.611 5.220 -7.471 1.00 32.54 H new ATOM 0 HE1 HIS B 108 -0.145 5.058 -9.880 1.00 14.52 H new ATOM 0 HE2 HIS B 108 -2.653 4.704 -9.830 1.00 74.32 H new ATOM 1867 N ALA B 109 -3.029 4.301 -3.746 1.00 14.11 N ATOM 1868 CA ALA B 109 -3.576 2.967 -3.473 1.00 24.34 C ATOM 1869 C ALA B 109 -4.926 3.043 -2.743 1.00 32.21 C ATOM 1870 O ALA B 109 -5.821 2.258 -3.037 1.00 55.23 O ATOM 1871 CB ALA B 109 -2.565 2.139 -2.666 1.00 70.21 C ATOM 0 H ALA B 109 -2.183 4.510 -3.216 1.00 14.11 H new ATOM 0 HA ALA B 109 -3.755 2.475 -4.429 1.00 24.34 H new ATOM 0 HB1 ALA B 109 -2.980 1.151 -2.468 1.00 70.21 H new ATOM 0 HB2 ALA B 109 -1.641 2.038 -3.235 1.00 70.21 H new ATOM 0 HB3 ALA B 109 -2.356 2.640 -1.721 1.00 70.21 H new ATOM 1877 N ARG B 110 -5.065 4.019 -1.821 1.00 43.12 N ATOM 1878 CA ARG B 110 -6.271 4.175 -0.973 1.00 65.21 C ATOM 1879 C ARG B 110 -7.493 4.506 -1.838 1.00 52.12 C ATOM 1880 O ARG B 110 -8.573 3.945 -1.637 1.00 22.53 O ATOM 1881 CB ARG B 110 -6.023 5.284 0.102 1.00 53.03 C ATOM 1882 CG ARG B 110 -6.959 5.258 1.339 1.00 2.30 C ATOM 1883 CD ARG B 110 -8.342 5.902 1.112 1.00 60.35 C ATOM 1884 NE ARG B 110 -9.202 5.737 2.287 1.00 41.23 N ATOM 1885 CZ ARG B 110 -10.505 6.034 2.361 1.00 20.34 C ATOM 1886 NH1 ARG B 110 -11.161 6.536 1.310 1.00 43.52 N ATOM 1887 NH2 ARG B 110 -11.151 5.809 3.490 1.00 42.55 N ATOM 0 H ARG B 110 -4.347 4.721 -1.642 1.00 43.12 H new ATOM 0 HA ARG B 110 -6.472 3.235 -0.458 1.00 65.21 H new ATOM 0 HB2 ARG B 110 -4.993 5.201 0.449 1.00 53.03 H new ATOM 0 HB3 ARG B 110 -6.119 6.257 -0.380 1.00 53.03 H new ATOM 0 HG2 ARG B 110 -7.101 4.223 1.649 1.00 2.30 H new ATOM 0 HG3 ARG B 110 -6.464 5.772 2.163 1.00 2.30 H new ATOM 0 HD2 ARG B 110 -8.221 6.963 0.893 1.00 60.35 H new ATOM 0 HD3 ARG B 110 -8.819 5.449 0.243 1.00 60.35 H new ATOM 0 HE ARG B 110 -8.766 5.360 3.129 1.00 41.23 H new ATOM 0 HH11 ARG B 110 -10.668 6.699 0.432 1.00 43.52 H new ATOM 0 HH12 ARG B 110 -12.154 6.756 1.386 1.00 43.52 H new ATOM 0 HH21 ARG B 110 -10.657 5.414 4.290 1.00 42.55 H new ATOM 0 HH22 ARG B 110 -12.144 6.030 3.562 1.00 42.55 H new ATOM 1901 N ALA B 111 -7.291 5.407 -2.812 1.00 13.14 N ATOM 1902 CA ALA B 111 -8.351 5.835 -3.732 1.00 74.02 C ATOM 1903 C ALA B 111 -8.770 4.680 -4.656 1.00 65.04 C ATOM 1904 O ALA B 111 -9.950 4.558 -4.998 1.00 62.30 O ATOM 1905 CB ALA B 111 -7.890 7.050 -4.542 1.00 52.42 C ATOM 0 H ALA B 111 -6.391 5.857 -2.982 1.00 13.14 H new ATOM 0 HA ALA B 111 -9.224 6.125 -3.147 1.00 74.02 H new ATOM 0 HB1 ALA B 111 -8.685 7.358 -5.221 1.00 52.42 H new ATOM 0 HB2 ALA B 111 -7.653 7.870 -3.865 1.00 52.42 H new ATOM 0 HB3 ALA B 111 -7.003 6.788 -5.118 1.00 52.42 H new ATOM 1911 N LEU B 112 -7.784 3.826 -5.013 1.00 45.51 N ATOM 1912 CA LEU B 112 -8.007 2.640 -5.856 1.00 5.32 C ATOM 1913 C LEU B 112 -8.858 1.597 -5.117 1.00 63.10 C ATOM 1914 O LEU B 112 -9.845 1.122 -5.657 1.00 41.51 O ATOM 1915 CB LEU B 112 -6.657 2.024 -6.316 1.00 55.44 C ATOM 1916 CG LEU B 112 -5.801 2.912 -7.273 1.00 42.01 C ATOM 1917 CD1 LEU B 112 -4.450 2.247 -7.592 1.00 54.43 C ATOM 1918 CD2 LEU B 112 -6.573 3.245 -8.565 1.00 65.15 C ATOM 0 H LEU B 112 -6.813 3.944 -4.722 1.00 45.51 H new ATOM 0 HA LEU B 112 -8.554 2.957 -6.744 1.00 5.32 H new ATOM 0 HB2 LEU B 112 -6.062 1.797 -5.432 1.00 55.44 H new ATOM 0 HB3 LEU B 112 -6.862 1.077 -6.815 1.00 55.44 H new ATOM 0 HG LEU B 112 -5.596 3.850 -6.756 1.00 42.01 H new ATOM 0 HD11 LEU B 112 -3.877 2.890 -8.260 1.00 54.43 H new ATOM 0 HD12 LEU B 112 -3.892 2.095 -6.668 1.00 54.43 H new ATOM 0 HD13 LEU B 112 -4.623 1.285 -8.074 1.00 54.43 H new ATOM 0 HD21 LEU B 112 -5.951 3.864 -9.211 1.00 65.15 H new ATOM 0 HD22 LEU B 112 -6.829 2.321 -9.084 1.00 65.15 H new ATOM 0 HD23 LEU B 112 -7.486 3.785 -8.314 1.00 65.15 H new ATOM 1930 N VAL B 113 -8.490 1.284 -3.861 1.00 35.22 N ATOM 1931 CA VAL B 113 -9.239 0.310 -3.039 1.00 62.44 C ATOM 1932 C VAL B 113 -10.667 0.826 -2.765 1.00 12.24 C ATOM 1933 O VAL B 113 -11.635 0.066 -2.861 1.00 32.41 O ATOM 1934 CB VAL B 113 -8.522 -0.004 -1.669 1.00 42.50 C ATOM 1935 CG1 VAL B 113 -9.277 -1.107 -0.883 1.00 53.30 C ATOM 1936 CG2 VAL B 113 -7.045 -0.398 -1.882 1.00 51.24 C ATOM 0 H VAL B 113 -7.680 1.690 -3.392 1.00 35.22 H new ATOM 0 HA VAL B 113 -9.280 -0.617 -3.611 1.00 62.44 H new ATOM 0 HB VAL B 113 -8.541 0.910 -1.075 1.00 42.50 H new ATOM 0 HG11 VAL B 113 -8.760 -1.303 0.057 1.00 53.30 H new ATOM 0 HG12 VAL B 113 -10.294 -0.774 -0.675 1.00 53.30 H new ATOM 0 HG13 VAL B 113 -9.308 -2.020 -1.477 1.00 53.30 H new ATOM 0 HG21 VAL B 113 -6.582 -0.607 -0.918 1.00 51.24 H new ATOM 0 HG22 VAL B 113 -6.993 -1.287 -2.511 1.00 51.24 H new ATOM 0 HG23 VAL B 113 -6.516 0.422 -2.368 1.00 51.24 H new ATOM 1946 N ARG B 114 -10.771 2.146 -2.487 1.00 12.04 N ATOM 1947 CA ARG B 114 -12.038 2.807 -2.126 1.00 45.10 C ATOM 1948 C ARG B 114 -13.068 2.713 -3.275 1.00 12.43 C ATOM 1949 O ARG B 114 -14.219 2.326 -3.045 1.00 13.22 O ATOM 1950 CB ARG B 114 -11.794 4.288 -1.719 1.00 41.21 C ATOM 1951 CG ARG B 114 -13.068 5.046 -1.261 1.00 30.25 C ATOM 1952 CD ARG B 114 -13.745 4.407 -0.024 1.00 13.30 C ATOM 1953 NE ARG B 114 -15.116 4.906 0.196 1.00 54.02 N ATOM 1954 CZ ARG B 114 -16.230 4.379 -0.354 1.00 5.44 C ATOM 1955 NH1 ARG B 114 -16.159 3.328 -1.171 1.00 71.21 N ATOM 1956 NH2 ARG B 114 -17.415 4.905 -0.076 1.00 43.52 N ATOM 0 H ARG B 114 -9.973 2.781 -2.508 1.00 12.04 H new ATOM 0 HA ARG B 114 -12.453 2.282 -1.265 1.00 45.10 H new ATOM 0 HB2 ARG B 114 -11.061 4.314 -0.913 1.00 41.21 H new ATOM 0 HB3 ARG B 114 -11.356 4.817 -2.565 1.00 41.21 H new ATOM 0 HG2 ARG B 114 -12.806 6.079 -1.031 1.00 30.25 H new ATOM 0 HG3 ARG B 114 -13.782 5.074 -2.084 1.00 30.25 H new ATOM 0 HD2 ARG B 114 -13.772 3.324 -0.149 1.00 13.30 H new ATOM 0 HD3 ARG B 114 -13.142 4.611 0.861 1.00 13.30 H new ATOM 0 HE ARG B 114 -15.231 5.711 0.811 1.00 54.02 H new ATOM 0 HH11 ARG B 114 -15.254 2.911 -1.388 1.00 71.21 H new ATOM 0 HH12 ARG B 114 -17.010 2.941 -1.579 1.00 71.21 H new ATOM 0 HH21 ARG B 114 -17.483 5.706 0.552 1.00 43.52 H new ATOM 0 HH22 ARG B 114 -18.259 4.509 -0.490 1.00 43.52 H new ATOM 1970 N GLU B 115 -12.639 3.066 -4.502 1.00 10.23 N ATOM 1971 CA GLU B 115 -13.506 2.984 -5.694 1.00 70.30 C ATOM 1972 C GLU B 115 -13.838 1.520 -6.030 1.00 55.20 C ATOM 1973 O GLU B 115 -14.973 1.208 -6.411 1.00 72.53 O ATOM 1974 CB GLU B 115 -12.861 3.701 -6.913 1.00 73.22 C ATOM 1975 CG GLU B 115 -11.547 3.078 -7.419 1.00 70.52 C ATOM 1976 CD GLU B 115 -10.951 3.792 -8.637 1.00 3.22 C ATOM 1977 OE1 GLU B 115 -11.427 3.544 -9.766 1.00 13.11 O ATOM 1978 OE2 GLU B 115 -10.015 4.603 -8.480 1.00 33.40 O ATOM 0 H GLU B 115 -11.698 3.410 -4.694 1.00 10.23 H new ATOM 0 HA GLU B 115 -14.438 3.499 -5.463 1.00 70.30 H new ATOM 0 HB2 GLU B 115 -13.580 3.709 -7.732 1.00 73.22 H new ATOM 0 HB3 GLU B 115 -12.672 4.740 -6.645 1.00 73.22 H new ATOM 0 HG2 GLU B 115 -10.816 3.088 -6.610 1.00 70.52 H new ATOM 0 HG3 GLU B 115 -11.726 2.033 -7.674 1.00 70.52 H new ATOM 1985 N CYS B 116 -12.842 0.623 -5.847 1.00 12.00 N ATOM 1986 CA CYS B 116 -12.983 -0.807 -6.160 1.00 72.12 C ATOM 1987 C CYS B 116 -13.933 -1.523 -5.184 1.00 41.21 C ATOM 1988 O CYS B 116 -14.439 -2.573 -5.526 1.00 3.24 O ATOM 1989 CB CYS B 116 -11.616 -1.508 -6.185 1.00 30.41 C ATOM 1990 SG CYS B 116 -10.489 -0.875 -7.444 1.00 32.14 S ATOM 0 H CYS B 116 -11.924 0.874 -5.480 1.00 12.00 H new ATOM 0 HA CYS B 116 -13.424 -0.868 -7.155 1.00 72.12 H new ATOM 0 HB2 CYS B 116 -11.147 -1.403 -5.207 1.00 30.41 H new ATOM 0 HB3 CYS B 116 -11.769 -2.574 -6.352 1.00 30.41 H new ATOM 0 HG CYS B 116 -9.877 0.178 -6.989 1.00 32.14 H new ATOM 1996 N LEU B 117 -14.161 -0.944 -3.976 1.00 4.14 N ATOM 1997 CA LEU B 117 -15.133 -1.483 -2.981 1.00 23.21 C ATOM 1998 C LEU B 117 -16.523 -1.724 -3.619 1.00 13.44 C ATOM 1999 O LEU B 117 -17.209 -2.692 -3.282 1.00 51.41 O ATOM 2000 CB LEU B 117 -15.277 -0.514 -1.770 1.00 44.33 C ATOM 2001 CG LEU B 117 -14.056 -0.417 -0.797 1.00 74.35 C ATOM 2002 CD1 LEU B 117 -14.244 0.742 0.197 1.00 71.34 C ATOM 2003 CD2 LEU B 117 -13.826 -1.746 -0.046 1.00 42.20 C ATOM 0 H LEU B 117 -13.683 -0.099 -3.664 1.00 4.14 H new ATOM 0 HA LEU B 117 -14.742 -2.439 -2.633 1.00 23.21 H new ATOM 0 HB2 LEU B 117 -15.484 0.484 -2.156 1.00 44.33 H new ATOM 0 HB3 LEU B 117 -16.149 -0.820 -1.192 1.00 44.33 H new ATOM 0 HG LEU B 117 -13.169 -0.217 -1.398 1.00 74.35 H new ATOM 0 HD11 LEU B 117 -13.384 0.792 0.865 1.00 71.34 H new ATOM 0 HD12 LEU B 117 -14.333 1.680 -0.351 1.00 71.34 H new ATOM 0 HD13 LEU B 117 -15.148 0.576 0.782 1.00 71.34 H new ATOM 0 HD21 LEU B 117 -12.970 -1.643 0.621 1.00 42.20 H new ATOM 0 HD22 LEU B 117 -14.713 -1.993 0.537 1.00 42.20 H new ATOM 0 HD23 LEU B 117 -13.632 -2.542 -0.765 1.00 42.20 H new