USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=19 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 96 LYS NZ :NH3+ 142:sc= 0.815 (180deg=0.0339) USER MOD Set 1.2: B 97 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 84 MET CE :methyl 172:sc= -1.77 (180deg=-1.97!) USER MOD Set 2.2: B 84 MET CE :methyl 176:sc= -1.85 (180deg=-1.9!) USER MOD Single : A 75 THR OG1 : rot 36:sc= 0.288 USER MOD Single : A 79 SER OG : rot 68:sc= 0.489 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 89:sc= 1.21 USER MOD Single : A 92 TYR OH : rot -51:sc= 0.26 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 141:sc= 0.0445 (180deg=-0.962) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -156:sc= -0.308 (180deg=-1.05) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 75 THR OG1 : rot 29:sc= 0.0827 USER MOD Single : B 79 SER OG : rot 80:sc= 0.155 USER MOD Single : B 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 91 THR OG1 : rot 86:sc= 1.07 USER MOD Single : B 92 TYR OH : rot 180:sc= -0.187 USER MOD Single : B 95 SER OG : rot 89:sc= 0.00411 USER MOD Single : B 99 MET CE :methyl -136:sc= -0.384 (180deg=-1.53!) USER MOD Single : B 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 108 HIS : no HD1:sc= -1.58 X(o=-1.6,f=-1.8) USER MOD Single : B 116 CYS SG : rot -27:sc= 0.0113 USER MOD ----------------------------------------------------------------- ATOM 241 N THR A 75 -12.183 -4.777 2.772 1.00 34.00 N ATOM 242 CA THR A 75 -12.034 -3.529 3.539 1.00 4.40 C ATOM 243 C THR A 75 -10.742 -3.565 4.391 1.00 24.51 C ATOM 244 O THR A 75 -10.195 -2.516 4.753 1.00 51.14 O ATOM 245 CB THR A 75 -13.275 -3.294 4.458 1.00 31.12 C ATOM 246 OG1 THR A 75 -14.473 -3.573 3.718 1.00 73.15 O ATOM 247 CG2 THR A 75 -13.341 -1.849 4.997 1.00 62.34 C ATOM 0 HA THR A 75 -11.964 -2.703 2.831 1.00 4.40 H new ATOM 0 HB THR A 75 -13.181 -3.964 5.313 1.00 31.12 H new ATOM 0 HG1 THR A 75 -14.312 -4.320 3.105 1.00 73.15 H new ATOM 0 HG21 THR A 75 -14.221 -1.737 5.630 1.00 62.34 H new ATOM 0 HG22 THR A 75 -12.445 -1.637 5.580 1.00 62.34 H new ATOM 0 HG23 THR A 75 -13.404 -1.152 4.162 1.00 62.34 H new ATOM 255 N ASP A 76 -10.276 -4.798 4.708 1.00 23.32 N ATOM 256 CA ASP A 76 -8.988 -5.029 5.395 1.00 34.42 C ATOM 257 C ASP A 76 -7.845 -4.412 4.574 1.00 64.32 C ATOM 258 O ASP A 76 -7.008 -3.713 5.135 1.00 31.13 O ATOM 259 CB ASP A 76 -8.747 -6.547 5.614 1.00 71.43 C ATOM 260 CG ASP A 76 -7.512 -6.878 6.482 1.00 72.10 C ATOM 261 OD1 ASP A 76 -6.371 -6.906 5.965 1.00 21.30 O ATOM 262 OD2 ASP A 76 -7.680 -7.136 7.695 1.00 63.33 O ATOM 0 H ASP A 76 -10.784 -5.656 4.494 1.00 23.32 H new ATOM 0 HA ASP A 76 -9.019 -4.550 6.374 1.00 34.42 H new ATOM 0 HB2 ASP A 76 -9.631 -6.979 6.082 1.00 71.43 H new ATOM 0 HB3 ASP A 76 -8.633 -7.028 4.643 1.00 71.43 H new ATOM 267 N LEU A 77 -7.863 -4.655 3.238 1.00 64.53 N ATOM 268 CA LEU A 77 -6.890 -4.073 2.282 1.00 23.23 C ATOM 269 C LEU A 77 -6.888 -2.538 2.366 1.00 35.32 C ATOM 270 O LEU A 77 -5.825 -1.930 2.482 1.00 71.14 O ATOM 271 CB LEU A 77 -7.216 -4.549 0.837 1.00 44.41 C ATOM 272 CG LEU A 77 -6.363 -3.934 -0.325 1.00 32.35 C ATOM 273 CD1 LEU A 77 -4.850 -4.171 -0.124 1.00 54.21 C ATOM 274 CD2 LEU A 77 -6.846 -4.455 -1.698 1.00 64.44 C ATOM 0 H LEU A 77 -8.554 -5.261 2.795 1.00 64.53 H new ATOM 0 HA LEU A 77 -5.891 -4.420 2.547 1.00 23.23 H new ATOM 0 HB2 LEU A 77 -7.102 -5.633 0.804 1.00 44.41 H new ATOM 0 HB3 LEU A 77 -8.266 -4.332 0.638 1.00 44.41 H new ATOM 0 HG LEU A 77 -6.513 -2.855 -0.305 1.00 32.35 H new ATOM 0 HD11 LEU A 77 -4.299 -3.728 -0.953 1.00 54.21 H new ATOM 0 HD12 LEU A 77 -4.531 -3.711 0.811 1.00 54.21 H new ATOM 0 HD13 LEU A 77 -4.651 -5.242 -0.088 1.00 54.21 H new ATOM 0 HD21 LEU A 77 -6.239 -4.014 -2.489 1.00 64.44 H new ATOM 0 HD22 LEU A 77 -6.750 -5.540 -1.729 1.00 64.44 H new ATOM 0 HD23 LEU A 77 -7.890 -4.178 -1.845 1.00 64.44 H new ATOM 286 N LEU A 78 -8.101 -1.951 2.343 1.00 75.24 N ATOM 287 CA LEU A 78 -8.326 -0.491 2.460 1.00 11.02 C ATOM 288 C LEU A 78 -7.665 0.069 3.744 1.00 41.13 C ATOM 289 O LEU A 78 -7.078 1.160 3.729 1.00 5.10 O ATOM 290 CB LEU A 78 -9.863 -0.234 2.465 1.00 71.12 C ATOM 291 CG LEU A 78 -10.351 1.251 2.427 1.00 33.40 C ATOM 292 CD1 LEU A 78 -9.962 1.947 1.108 1.00 73.41 C ATOM 293 CD2 LEU A 78 -11.876 1.332 2.684 1.00 1.34 C ATOM 0 H LEU A 78 -8.966 -2.482 2.241 1.00 75.24 H new ATOM 0 HA LEU A 78 -7.869 0.024 1.615 1.00 11.02 H new ATOM 0 HB2 LEU A 78 -10.292 -0.750 1.606 1.00 71.12 H new ATOM 0 HB3 LEU A 78 -10.278 -0.701 3.358 1.00 71.12 H new ATOM 0 HG LEU A 78 -9.845 1.788 3.229 1.00 33.40 H new ATOM 0 HD11 LEU A 78 -10.319 2.977 1.121 1.00 73.41 H new ATOM 0 HD12 LEU A 78 -8.877 1.940 0.999 1.00 73.41 H new ATOM 0 HD13 LEU A 78 -10.414 1.417 0.270 1.00 73.41 H new ATOM 0 HD21 LEU A 78 -12.195 2.374 2.653 1.00 1.34 H new ATOM 0 HD22 LEU A 78 -12.405 0.768 1.916 1.00 1.34 H new ATOM 0 HD23 LEU A 78 -12.103 0.912 3.664 1.00 1.34 H new ATOM 305 N SER A 79 -7.771 -0.713 4.841 1.00 55.42 N ATOM 306 CA SER A 79 -7.157 -0.396 6.140 1.00 5.13 C ATOM 307 C SER A 79 -5.614 -0.451 6.066 1.00 54.24 C ATOM 308 O SER A 79 -4.949 0.518 6.465 1.00 1.11 O ATOM 309 CB SER A 79 -7.677 -1.369 7.221 1.00 20.10 C ATOM 310 OG SER A 79 -9.096 -1.361 7.286 1.00 0.13 O ATOM 0 H SER A 79 -8.292 -1.590 4.845 1.00 55.42 H new ATOM 0 HA SER A 79 -7.439 0.622 6.407 1.00 5.13 H new ATOM 0 HB2 SER A 79 -7.327 -2.378 7.003 1.00 20.10 H new ATOM 0 HB3 SER A 79 -7.265 -1.091 8.191 1.00 20.10 H new ATOM 0 HG SER A 79 -9.463 -1.751 6.465 1.00 0.13 H new ATOM 316 N VAL A 80 -5.069 -1.580 5.497 1.00 14.02 N ATOM 317 CA VAL A 80 -3.604 -1.847 5.406 1.00 60.54 C ATOM 318 C VAL A 80 -2.880 -0.655 4.774 1.00 31.33 C ATOM 319 O VAL A 80 -1.830 -0.237 5.261 1.00 30.32 O ATOM 320 CB VAL A 80 -3.261 -3.154 4.567 1.00 42.50 C ATOM 321 CG1 VAL A 80 -1.731 -3.398 4.480 1.00 54.30 C ATOM 322 CG2 VAL A 80 -3.962 -4.404 5.135 1.00 43.24 C ATOM 0 H VAL A 80 -5.639 -2.323 5.092 1.00 14.02 H new ATOM 0 HA VAL A 80 -3.263 -2.005 6.429 1.00 60.54 H new ATOM 0 HB VAL A 80 -3.639 -2.979 3.560 1.00 42.50 H new ATOM 0 HG11 VAL A 80 -1.539 -4.300 3.899 1.00 54.30 H new ATOM 0 HG12 VAL A 80 -1.254 -2.546 3.996 1.00 54.30 H new ATOM 0 HG13 VAL A 80 -1.324 -3.520 5.484 1.00 54.30 H new ATOM 0 HG21 VAL A 80 -3.700 -5.274 4.532 1.00 43.24 H new ATOM 0 HG22 VAL A 80 -3.640 -4.566 6.164 1.00 43.24 H new ATOM 0 HG23 VAL A 80 -5.042 -4.258 5.111 1.00 43.24 H new ATOM 332 N ILE A 81 -3.492 -0.124 3.696 1.00 51.25 N ATOM 333 CA ILE A 81 -2.970 1.017 2.939 1.00 64.51 C ATOM 334 C ILE A 81 -2.656 2.220 3.855 1.00 54.44 C ATOM 335 O ILE A 81 -1.494 2.602 3.998 1.00 12.20 O ATOM 336 CB ILE A 81 -3.960 1.457 1.797 1.00 65.20 C ATOM 337 CG1 ILE A 81 -4.308 0.269 0.835 1.00 71.32 C ATOM 338 CG2 ILE A 81 -3.376 2.641 1.013 1.00 35.02 C ATOM 339 CD1 ILE A 81 -3.122 -0.392 0.156 1.00 72.03 C ATOM 0 H ILE A 81 -4.372 -0.484 3.328 1.00 51.25 H new ATOM 0 HA ILE A 81 -2.039 0.684 2.481 1.00 64.51 H new ATOM 0 HB ILE A 81 -4.891 1.772 2.269 1.00 65.20 H new ATOM 0 HG12 ILE A 81 -4.848 -0.489 1.403 1.00 71.32 H new ATOM 0 HG13 ILE A 81 -4.987 0.635 0.065 1.00 71.32 H new ATOM 0 HG21 ILE A 81 -4.071 2.935 0.226 1.00 35.02 H new ATOM 0 HG22 ILE A 81 -3.216 3.481 1.689 1.00 35.02 H new ATOM 0 HG23 ILE A 81 -2.426 2.348 0.567 1.00 35.02 H new ATOM 0 HD11 ILE A 81 -3.474 -1.200 -0.486 1.00 72.03 H new ATOM 0 HD12 ILE A 81 -2.590 0.345 -0.446 1.00 72.03 H new ATOM 0 HD13 ILE A 81 -2.449 -0.796 0.912 1.00 72.03 H new ATOM 351 N GLU A 82 -3.693 2.775 4.509 1.00 74.03 N ATOM 352 CA GLU A 82 -3.557 3.998 5.333 1.00 60.15 C ATOM 353 C GLU A 82 -2.707 3.757 6.584 1.00 32.32 C ATOM 354 O GLU A 82 -2.080 4.689 7.088 1.00 44.21 O ATOM 355 CB GLU A 82 -4.937 4.567 5.725 1.00 31.12 C ATOM 356 CG GLU A 82 -5.790 4.994 4.520 1.00 4.51 C ATOM 357 CD GLU A 82 -7.051 5.767 4.924 1.00 13.43 C ATOM 358 OE1 GLU A 82 -7.903 5.196 5.624 1.00 23.31 O ATOM 359 OE2 GLU A 82 -7.198 6.949 4.535 1.00 11.52 O ATOM 0 H GLU A 82 -4.640 2.396 4.484 1.00 74.03 H new ATOM 0 HA GLU A 82 -3.041 4.734 4.717 1.00 60.15 H new ATOM 0 HB2 GLU A 82 -5.481 3.816 6.297 1.00 31.12 H new ATOM 0 HB3 GLU A 82 -4.794 5.426 6.381 1.00 31.12 H new ATOM 0 HG2 GLU A 82 -5.187 5.614 3.856 1.00 4.51 H new ATOM 0 HG3 GLU A 82 -6.079 4.108 3.954 1.00 4.51 H new ATOM 366 N GLU A 83 -2.690 2.503 7.064 1.00 42.13 N ATOM 367 CA GLU A 83 -1.861 2.094 8.208 1.00 51.25 C ATOM 368 C GLU A 83 -0.374 2.147 7.844 1.00 63.01 C ATOM 369 O GLU A 83 0.442 2.615 8.641 1.00 44.52 O ATOM 370 CB GLU A 83 -2.272 0.691 8.698 1.00 15.41 C ATOM 371 CG GLU A 83 -3.644 0.659 9.390 1.00 52.40 C ATOM 372 CD GLU A 83 -4.030 -0.739 9.881 1.00 0.54 C ATOM 373 OE1 GLU A 83 -3.330 -1.280 10.769 1.00 13.43 O ATOM 374 OE2 GLU A 83 -5.012 -1.318 9.375 1.00 65.11 O ATOM 0 H GLU A 83 -3.249 1.746 6.671 1.00 42.13 H new ATOM 0 HA GLU A 83 -2.026 2.795 9.026 1.00 51.25 H new ATOM 0 HB2 GLU A 83 -2.287 0.008 7.848 1.00 15.41 H new ATOM 0 HB3 GLU A 83 -1.516 0.321 9.391 1.00 15.41 H new ATOM 0 HG2 GLU A 83 -3.635 1.346 10.236 1.00 52.40 H new ATOM 0 HG3 GLU A 83 -4.404 1.018 8.696 1.00 52.40 H new ATOM 381 N MET A 84 -0.037 1.689 6.620 1.00 42.21 N ATOM 382 CA MET A 84 1.309 1.859 6.046 1.00 22.24 C ATOM 383 C MET A 84 1.627 3.357 5.895 1.00 45.53 C ATOM 384 O MET A 84 2.766 3.780 6.093 1.00 31.04 O ATOM 385 CB MET A 84 1.421 1.134 4.671 1.00 31.40 C ATOM 386 CG MET A 84 1.292 -0.393 4.743 1.00 42.22 C ATOM 387 SD MET A 84 1.551 -1.204 3.150 1.00 3.11 S ATOM 388 CE MET A 84 0.315 -0.452 2.098 1.00 14.34 C ATOM 0 H MET A 84 -0.687 1.195 6.008 1.00 42.21 H new ATOM 0 HA MET A 84 2.036 1.409 6.722 1.00 22.24 H new ATOM 0 HB2 MET A 84 0.647 1.520 4.007 1.00 31.40 H new ATOM 0 HB3 MET A 84 2.382 1.384 4.220 1.00 31.40 H new ATOM 0 HG2 MET A 84 2.015 -0.779 5.462 1.00 42.22 H new ATOM 0 HG3 MET A 84 0.301 -0.650 5.118 1.00 42.22 H new ATOM 0 HE1 MET A 84 0.474 -0.768 1.067 1.00 14.34 H new ATOM 0 HE2 MET A 84 -0.678 -0.762 2.424 1.00 14.34 H new ATOM 0 HE3 MET A 84 0.395 0.633 2.161 1.00 14.34 H new ATOM 398 N GLY A 85 0.572 4.134 5.568 1.00 3.30 N ATOM 399 CA GLY A 85 0.637 5.592 5.486 1.00 41.04 C ATOM 400 C GLY A 85 1.058 6.254 6.790 1.00 65.44 C ATOM 401 O GLY A 85 1.747 7.286 6.776 1.00 33.24 O ATOM 0 H GLY A 85 -0.351 3.755 5.354 1.00 3.30 H new ATOM 0 HA2 GLY A 85 1.340 5.873 4.701 1.00 41.04 H new ATOM 0 HA3 GLY A 85 -0.340 5.976 5.192 1.00 41.04 H new ATOM 405 N LYS A 86 0.674 5.634 7.918 1.00 41.53 N ATOM 406 CA LYS A 86 1.014 6.124 9.259 1.00 50.44 C ATOM 407 C LYS A 86 2.484 5.777 9.570 1.00 12.12 C ATOM 408 O LYS A 86 3.208 6.581 10.168 1.00 24.23 O ATOM 409 CB LYS A 86 0.066 5.504 10.327 1.00 21.33 C ATOM 410 CG LYS A 86 -1.437 5.759 10.061 1.00 23.44 C ATOM 411 CD LYS A 86 -2.366 5.025 11.060 1.00 12.31 C ATOM 412 CE LYS A 86 -3.848 5.036 10.634 1.00 51.35 C ATOM 413 NZ LYS A 86 -4.415 6.409 10.574 1.00 51.41 N ATOM 0 H LYS A 86 0.119 4.778 7.923 1.00 41.53 H new ATOM 0 HA LYS A 86 0.887 7.206 9.288 1.00 50.44 H new ATOM 0 HB2 LYS A 86 0.239 4.429 10.371 1.00 21.33 H new ATOM 0 HB3 LYS A 86 0.325 5.908 11.306 1.00 21.33 H new ATOM 0 HG2 LYS A 86 -1.632 6.830 10.113 1.00 23.44 H new ATOM 0 HG3 LYS A 86 -1.679 5.440 9.047 1.00 23.44 H new ATOM 0 HD2 LYS A 86 -2.033 3.993 11.164 1.00 12.31 H new ATOM 0 HD3 LYS A 86 -2.273 5.491 12.041 1.00 12.31 H new ATOM 0 HE2 LYS A 86 -3.945 4.564 9.656 1.00 51.35 H new ATOM 0 HE3 LYS A 86 -4.429 4.437 11.336 1.00 51.35 H new ATOM 0 HZ1 LYS A 86 -5.412 6.360 10.283 1.00 51.41 H new ATOM 0 HZ2 LYS A 86 -4.349 6.853 11.512 1.00 51.41 H new ATOM 0 HZ3 LYS A 86 -3.881 6.975 9.885 1.00 51.41 H new ATOM 427 N GLU A 87 2.920 4.581 9.108 1.00 2.01 N ATOM 428 CA GLU A 87 4.267 4.039 9.402 1.00 71.21 C ATOM 429 C GLU A 87 5.357 4.678 8.532 1.00 23.41 C ATOM 430 O GLU A 87 6.537 4.446 8.773 1.00 50.12 O ATOM 431 CB GLU A 87 4.310 2.495 9.240 1.00 50.24 C ATOM 432 CG GLU A 87 3.220 1.729 10.019 1.00 64.10 C ATOM 433 CD GLU A 87 3.054 2.230 11.464 1.00 73.42 C ATOM 434 OE1 GLU A 87 3.960 2.007 12.286 1.00 3.33 O ATOM 435 OE2 GLU A 87 2.023 2.867 11.780 1.00 13.24 O ATOM 0 H GLU A 87 2.351 3.968 8.524 1.00 2.01 H new ATOM 0 HA GLU A 87 4.472 4.292 10.442 1.00 71.21 H new ATOM 0 HB2 GLU A 87 4.217 2.253 8.181 1.00 50.24 H new ATOM 0 HB3 GLU A 87 5.287 2.137 9.565 1.00 50.24 H new ATOM 0 HG2 GLU A 87 2.269 1.826 9.495 1.00 64.10 H new ATOM 0 HG3 GLU A 87 3.469 0.668 10.034 1.00 64.10 H new ATOM 442 N ILE A 88 4.951 5.486 7.533 1.00 53.54 N ATOM 443 CA ILE A 88 5.887 6.247 6.672 1.00 72.25 C ATOM 444 C ILE A 88 6.779 7.186 7.514 1.00 51.15 C ATOM 445 O ILE A 88 7.975 7.318 7.251 1.00 41.44 O ATOM 446 CB ILE A 88 5.105 7.102 5.602 1.00 5.03 C ATOM 447 CG1 ILE A 88 4.266 6.178 4.676 1.00 62.20 C ATOM 448 CG2 ILE A 88 6.051 8.012 4.770 1.00 3.42 C ATOM 449 CD1 ILE A 88 3.445 6.908 3.633 1.00 63.21 C ATOM 0 H ILE A 88 3.969 5.631 7.298 1.00 53.54 H new ATOM 0 HA ILE A 88 6.516 5.519 6.160 1.00 72.25 H new ATOM 0 HB ILE A 88 4.428 7.762 6.144 1.00 5.03 H new ATOM 0 HG12 ILE A 88 4.939 5.485 4.170 1.00 62.20 H new ATOM 0 HG13 ILE A 88 3.596 5.579 5.293 1.00 62.20 H new ATOM 0 HG21 ILE A 88 5.466 8.581 4.047 1.00 3.42 H new ATOM 0 HG22 ILE A 88 6.573 8.700 5.436 1.00 3.42 H new ATOM 0 HG23 ILE A 88 6.779 7.395 4.243 1.00 3.42 H new ATOM 0 HD11 ILE A 88 2.893 6.185 3.033 1.00 63.21 H new ATOM 0 HD12 ILE A 88 2.744 7.580 4.127 1.00 63.21 H new ATOM 0 HD13 ILE A 88 4.107 7.485 2.987 1.00 63.21 H new ATOM 461 N ARG A 89 6.166 7.788 8.547 1.00 25.32 N ATOM 462 CA ARG A 89 6.776 8.872 9.340 1.00 54.33 C ATOM 463 C ARG A 89 7.919 8.342 10.266 1.00 72.40 C ATOM 464 O ARG A 89 9.029 8.883 10.209 1.00 35.10 O ATOM 465 CB ARG A 89 5.671 9.633 10.142 1.00 23.40 C ATOM 466 CG ARG A 89 4.390 9.930 9.341 1.00 42.41 C ATOM 467 CD ARG A 89 4.638 10.783 8.083 1.00 30.11 C ATOM 468 NE ARG A 89 3.399 10.954 7.314 1.00 13.44 N ATOM 469 CZ ARG A 89 3.014 12.063 6.671 1.00 51.22 C ATOM 470 NH1 ARG A 89 3.770 13.156 6.661 1.00 71.10 N ATOM 471 NH2 ARG A 89 1.856 12.068 6.048 1.00 14.21 N ATOM 0 H ARG A 89 5.228 7.536 8.858 1.00 25.32 H new ATOM 0 HA ARG A 89 7.245 9.579 8.656 1.00 54.33 H new ATOM 0 HB2 ARG A 89 5.407 9.044 11.020 1.00 23.40 H new ATOM 0 HB3 ARG A 89 6.085 10.575 10.503 1.00 23.40 H new ATOM 0 HG2 ARG A 89 3.928 8.988 9.046 1.00 42.41 H new ATOM 0 HG3 ARG A 89 3.679 10.446 9.986 1.00 42.41 H new ATOM 0 HD2 ARG A 89 5.029 11.759 8.371 1.00 30.11 H new ATOM 0 HD3 ARG A 89 5.395 10.307 7.460 1.00 30.11 H new ATOM 0 HE ARG A 89 2.772 10.151 7.265 1.00 13.44 H new ATOM 0 HH11 ARG A 89 4.665 13.162 7.150 1.00 71.10 H new ATOM 0 HH12 ARG A 89 3.455 13.989 6.164 1.00 71.10 H new ATOM 0 HH21 ARG A 89 1.267 11.235 6.060 1.00 14.21 H new ATOM 0 HH22 ARG A 89 1.547 12.905 5.553 1.00 14.21 H new ATOM 485 N PRO A 90 7.692 7.275 11.134 1.00 54.51 N ATOM 486 CA PRO A 90 8.777 6.694 11.956 1.00 3.02 C ATOM 487 C PRO A 90 9.844 5.965 11.096 1.00 31.11 C ATOM 488 O PRO A 90 11.031 6.017 11.432 1.00 73.42 O ATOM 489 CB PRO A 90 8.062 5.730 12.948 1.00 44.12 C ATOM 490 CG PRO A 90 6.581 5.930 12.749 1.00 2.45 C ATOM 491 CD PRO A 90 6.403 6.576 11.398 1.00 65.34 C ATOM 0 HA PRO A 90 9.338 7.467 12.481 1.00 3.02 H new ATOM 0 HB2 PRO A 90 8.343 4.695 12.753 1.00 44.12 H new ATOM 0 HB3 PRO A 90 8.348 5.950 13.977 1.00 44.12 H new ATOM 0 HG2 PRO A 90 6.053 4.977 12.794 1.00 2.45 H new ATOM 0 HG3 PRO A 90 6.167 6.561 13.536 1.00 2.45 H new ATOM 0 HD2 PRO A 90 6.192 5.832 10.629 1.00 65.34 H new ATOM 0 HD3 PRO A 90 5.568 7.276 11.402 1.00 65.34 H new ATOM 499 N THR A 91 9.409 5.305 9.988 1.00 12.24 N ATOM 500 CA THR A 91 10.337 4.695 8.998 1.00 41.03 C ATOM 501 C THR A 91 11.332 5.751 8.496 1.00 53.22 C ATOM 502 O THR A 91 12.551 5.548 8.556 1.00 70.31 O ATOM 503 CB THR A 91 9.559 4.074 7.786 1.00 73.52 C ATOM 504 OG1 THR A 91 8.757 2.982 8.248 1.00 10.41 O ATOM 505 CG2 THR A 91 10.482 3.575 6.652 1.00 23.44 C ATOM 0 H THR A 91 8.423 5.182 9.759 1.00 12.24 H new ATOM 0 HA THR A 91 10.878 3.890 9.496 1.00 41.03 H new ATOM 0 HB THR A 91 8.943 4.871 7.369 1.00 73.52 H new ATOM 0 HG1 THR A 91 7.875 3.315 8.517 1.00 10.41 H new ATOM 0 HG21 THR A 91 9.877 3.158 5.847 1.00 23.44 H new ATOM 0 HG22 THR A 91 11.071 4.408 6.269 1.00 23.44 H new ATOM 0 HG23 THR A 91 11.151 2.806 7.039 1.00 23.44 H new ATOM 513 N TYR A 92 10.776 6.897 8.053 1.00 53.01 N ATOM 514 CA TYR A 92 11.550 8.044 7.556 1.00 12.52 C ATOM 515 C TYR A 92 12.526 8.565 8.623 1.00 3.50 C ATOM 516 O TYR A 92 13.652 8.967 8.298 1.00 63.41 O ATOM 517 CB TYR A 92 10.604 9.178 7.078 1.00 51.33 C ATOM 518 CG TYR A 92 11.319 10.334 6.359 1.00 62.20 C ATOM 519 CD1 TYR A 92 11.915 10.133 5.119 1.00 72.41 C ATOM 520 CD2 TYR A 92 11.425 11.605 6.925 1.00 33.53 C ATOM 521 CE1 TYR A 92 12.571 11.145 4.468 1.00 33.43 C ATOM 522 CE2 TYR A 92 12.092 12.621 6.274 1.00 11.13 C ATOM 523 CZ TYR A 92 12.664 12.383 5.048 1.00 72.25 C ATOM 524 OH TYR A 92 13.345 13.388 4.401 1.00 50.33 O ATOM 0 H TYR A 92 9.768 7.050 8.032 1.00 53.01 H new ATOM 0 HA TYR A 92 12.139 7.704 6.704 1.00 12.52 H new ATOM 0 HB2 TYR A 92 9.857 8.754 6.407 1.00 51.33 H new ATOM 0 HB3 TYR A 92 10.069 9.577 7.940 1.00 51.33 H new ATOM 0 HD1 TYR A 92 11.860 9.158 4.659 1.00 72.41 H new ATOM 0 HD2 TYR A 92 10.977 11.796 7.889 1.00 33.53 H new ATOM 0 HE1 TYR A 92 13.014 10.967 3.499 1.00 33.43 H new ATOM 0 HE2 TYR A 92 12.164 13.599 6.726 1.00 11.13 H new ATOM 0 HH TYR A 92 14.233 13.066 4.139 1.00 50.33 H new ATOM 534 N ALA A 93 12.101 8.488 9.899 1.00 0.32 N ATOM 535 CA ALA A 93 12.869 9.001 11.054 1.00 61.11 C ATOM 536 C ALA A 93 13.988 8.028 11.491 1.00 1.24 C ATOM 537 O ALA A 93 14.648 8.266 12.512 1.00 23.51 O ATOM 538 CB ALA A 93 11.906 9.282 12.221 1.00 55.14 C ATOM 0 H ALA A 93 11.210 8.066 10.161 1.00 0.32 H new ATOM 0 HA ALA A 93 13.360 9.926 10.751 1.00 61.11 H new ATOM 0 HB1 ALA A 93 12.469 9.660 13.074 1.00 55.14 H new ATOM 0 HB2 ALA A 93 11.169 10.025 11.914 1.00 55.14 H new ATOM 0 HB3 ALA A 93 11.397 8.360 12.502 1.00 55.14 H new ATOM 544 N GLY A 94 14.215 6.953 10.713 1.00 72.14 N ATOM 545 CA GLY A 94 15.252 5.968 11.024 1.00 5.44 C ATOM 546 C GLY A 94 14.841 4.927 12.060 1.00 70.35 C ATOM 547 O GLY A 94 15.685 4.136 12.501 1.00 32.34 O ATOM 0 H GLY A 94 13.689 6.750 9.863 1.00 72.14 H new ATOM 0 HA2 GLY A 94 15.537 5.456 10.105 1.00 5.44 H new ATOM 0 HA3 GLY A 94 16.137 6.492 11.384 1.00 5.44 H new ATOM 551 N SER A 95 13.556 4.920 12.455 1.00 54.04 N ATOM 552 CA SER A 95 13.012 3.903 13.366 1.00 42.25 C ATOM 553 C SER A 95 12.681 2.623 12.579 1.00 12.45 C ATOM 554 O SER A 95 11.718 2.594 11.797 1.00 23.43 O ATOM 555 CB SER A 95 11.769 4.444 14.097 1.00 32.24 C ATOM 556 OG SER A 95 12.060 5.646 14.782 1.00 34.34 O ATOM 0 H SER A 95 12.872 5.614 12.154 1.00 54.04 H new ATOM 0 HA SER A 95 13.761 3.660 14.120 1.00 42.25 H new ATOM 0 HB2 SER A 95 10.968 4.617 13.378 1.00 32.24 H new ATOM 0 HB3 SER A 95 11.407 3.698 14.804 1.00 32.24 H new ATOM 0 HG SER A 95 11.253 5.968 15.235 1.00 34.34 H new ATOM 562 N LYS A 96 13.538 1.596 12.762 1.00 11.00 N ATOM 563 CA LYS A 96 13.417 0.289 12.087 1.00 71.15 C ATOM 564 C LYS A 96 12.066 -0.393 12.361 1.00 12.10 C ATOM 565 O LYS A 96 11.582 -1.141 11.518 1.00 60.21 O ATOM 566 CB LYS A 96 14.562 -0.660 12.526 1.00 41.31 C ATOM 567 CG LYS A 96 14.527 -1.053 14.024 1.00 51.22 C ATOM 568 CD LYS A 96 15.531 -2.167 14.384 1.00 15.15 C ATOM 569 CE LYS A 96 15.204 -2.815 15.738 1.00 10.34 C ATOM 570 NZ LYS A 96 13.802 -3.314 15.773 1.00 54.53 N ATOM 0 H LYS A 96 14.341 1.653 13.389 1.00 11.00 H new ATOM 0 HA LYS A 96 13.485 0.487 11.017 1.00 71.15 H new ATOM 0 HB2 LYS A 96 14.517 -1.567 11.924 1.00 41.31 H new ATOM 0 HB3 LYS A 96 15.517 -0.181 12.310 1.00 41.31 H new ATOM 0 HG2 LYS A 96 14.740 -0.172 14.629 1.00 51.22 H new ATOM 0 HG3 LYS A 96 13.521 -1.382 14.283 1.00 51.22 H new ATOM 0 HD2 LYS A 96 15.523 -2.929 13.605 1.00 15.15 H new ATOM 0 HD3 LYS A 96 16.539 -1.752 14.414 1.00 15.15 H new ATOM 0 HE2 LYS A 96 15.891 -3.640 15.924 1.00 10.34 H new ATOM 0 HE3 LYS A 96 15.354 -2.089 16.537 1.00 10.34 H new ATOM 0 HZ1 LYS A 96 13.769 -4.222 16.279 1.00 54.53 H new ATOM 0 HZ2 LYS A 96 13.200 -2.622 16.263 1.00 54.53 H new ATOM 0 HZ3 LYS A 96 13.456 -3.447 14.801 1.00 54.53 H new ATOM 584 N SER A 97 11.490 -0.111 13.553 1.00 10.33 N ATOM 585 CA SER A 97 10.265 -0.749 14.049 1.00 63.23 C ATOM 586 C SER A 97 9.090 -0.551 13.075 1.00 50.04 C ATOM 587 O SER A 97 8.337 -1.488 12.811 1.00 41.35 O ATOM 588 CB SER A 97 9.918 -0.197 15.453 1.00 60.10 C ATOM 589 OG SER A 97 8.806 -0.869 16.018 1.00 31.23 O ATOM 0 H SER A 97 11.875 0.577 14.200 1.00 10.33 H new ATOM 0 HA SER A 97 10.443 -1.822 14.123 1.00 63.23 H new ATOM 0 HB2 SER A 97 10.781 -0.304 16.110 1.00 60.10 H new ATOM 0 HB3 SER A 97 9.702 0.869 15.382 1.00 60.10 H new ATOM 0 HG SER A 97 8.615 -0.497 16.904 1.00 31.23 H new ATOM 595 N ALA A 98 8.966 0.673 12.530 1.00 34.12 N ATOM 596 CA ALA A 98 7.944 0.993 11.525 1.00 65.43 C ATOM 597 C ALA A 98 8.320 0.411 10.158 1.00 73.24 C ATOM 598 O ALA A 98 7.446 -0.040 9.433 1.00 23.32 O ATOM 599 CB ALA A 98 7.741 2.506 11.411 1.00 25.22 C ATOM 0 H ALA A 98 9.568 1.460 12.773 1.00 34.12 H new ATOM 0 HA ALA A 98 7.008 0.541 11.852 1.00 65.43 H new ATOM 0 HB1 ALA A 98 6.979 2.715 10.660 1.00 25.22 H new ATOM 0 HB2 ALA A 98 7.420 2.904 12.374 1.00 25.22 H new ATOM 0 HB3 ALA A 98 8.679 2.978 11.118 1.00 25.22 H new ATOM 605 N MET A 99 9.636 0.430 9.834 1.00 42.13 N ATOM 606 CA MET A 99 10.172 0.007 8.512 1.00 54.21 C ATOM 607 C MET A 99 9.929 -1.489 8.222 1.00 21.43 C ATOM 608 O MET A 99 9.475 -1.845 7.130 1.00 23.21 O ATOM 609 CB MET A 99 11.690 0.363 8.450 1.00 5.44 C ATOM 610 CG MET A 99 12.468 -0.134 7.207 1.00 33.52 C ATOM 611 SD MET A 99 12.930 -1.884 7.284 1.00 54.42 S ATOM 612 CE MET A 99 13.932 -1.929 8.774 1.00 2.33 C ATOM 0 H MET A 99 10.360 0.740 10.483 1.00 42.13 H new ATOM 0 HA MET A 99 9.635 0.546 7.732 1.00 54.21 H new ATOM 0 HB2 MET A 99 11.788 1.447 8.502 1.00 5.44 H new ATOM 0 HB3 MET A 99 12.172 -0.044 9.339 1.00 5.44 H new ATOM 0 HG2 MET A 99 11.859 0.032 6.318 1.00 33.52 H new ATOM 0 HG3 MET A 99 13.371 0.466 7.092 1.00 33.52 H new ATOM 0 HE1 MET A 99 14.613 -2.779 8.729 1.00 2.33 H new ATOM 0 HE2 MET A 99 14.507 -1.007 8.854 1.00 2.33 H new ATOM 0 HE3 MET A 99 13.284 -2.029 9.645 1.00 2.33 H new ATOM 622 N GLU A 100 10.226 -2.346 9.215 1.00 14.21 N ATOM 623 CA GLU A 100 10.045 -3.812 9.113 1.00 64.31 C ATOM 624 C GLU A 100 8.538 -4.179 9.047 1.00 51.23 C ATOM 625 O GLU A 100 8.140 -5.152 8.397 1.00 33.15 O ATOM 626 CB GLU A 100 10.766 -4.509 10.309 1.00 33.24 C ATOM 627 CG GLU A 100 10.295 -4.048 11.711 1.00 63.40 C ATOM 628 CD GLU A 100 11.199 -4.526 12.869 1.00 10.32 C ATOM 629 OE1 GLU A 100 12.209 -3.849 13.185 1.00 41.35 O ATOM 630 OE2 GLU A 100 10.917 -5.593 13.462 1.00 41.51 O ATOM 0 H GLU A 100 10.600 -2.044 10.115 1.00 14.21 H new ATOM 0 HA GLU A 100 10.496 -4.171 8.188 1.00 64.31 H new ATOM 0 HB2 GLU A 100 10.617 -5.586 10.227 1.00 33.24 H new ATOM 0 HB3 GLU A 100 11.838 -4.328 10.224 1.00 33.24 H new ATOM 0 HG2 GLU A 100 10.248 -2.959 11.727 1.00 63.40 H new ATOM 0 HG3 GLU A 100 9.282 -4.413 11.880 1.00 63.40 H new ATOM 637 N ARG A 101 7.718 -3.345 9.703 1.00 62.32 N ATOM 638 CA ARG A 101 6.249 -3.475 9.708 1.00 25.33 C ATOM 639 C ARG A 101 5.622 -2.824 8.458 1.00 24.31 C ATOM 640 O ARG A 101 4.493 -3.149 8.086 1.00 61.44 O ATOM 641 CB ARG A 101 5.678 -2.858 11.002 1.00 61.24 C ATOM 642 CG ARG A 101 6.044 -3.650 12.282 1.00 22.13 C ATOM 643 CD ARG A 101 5.517 -2.985 13.566 1.00 23.22 C ATOM 644 NE ARG A 101 4.063 -2.730 13.513 1.00 62.12 N ATOM 645 CZ ARG A 101 3.493 -1.515 13.504 1.00 5.33 C ATOM 646 NH1 ARG A 101 4.229 -0.414 13.548 1.00 64.33 N ATOM 647 NH2 ARG A 101 2.185 -1.399 13.463 1.00 41.21 N ATOM 0 H ARG A 101 8.056 -2.554 10.250 1.00 62.32 H new ATOM 0 HA ARG A 101 5.993 -4.534 9.679 1.00 25.33 H new ATOM 0 HB2 ARG A 101 6.045 -1.836 11.100 1.00 61.24 H new ATOM 0 HB3 ARG A 101 4.593 -2.800 10.919 1.00 61.24 H new ATOM 0 HG2 ARG A 101 5.638 -4.659 12.208 1.00 22.13 H new ATOM 0 HG3 ARG A 101 7.128 -3.746 12.347 1.00 22.13 H new ATOM 0 HD2 ARG A 101 5.740 -3.624 14.420 1.00 23.22 H new ATOM 0 HD3 ARG A 101 6.042 -2.044 13.726 1.00 23.22 H new ATOM 0 HE ARG A 101 3.444 -3.540 13.481 1.00 62.12 H new ATOM 0 HH11 ARG A 101 5.246 -0.482 13.590 1.00 64.33 H new ATOM 0 HH12 ARG A 101 3.779 0.501 13.540 1.00 64.33 H new ATOM 0 HH21 ARG A 101 1.600 -2.234 13.438 1.00 41.21 H new ATOM 0 HH22 ARG A 101 1.755 -0.474 13.456 1.00 41.21 H new ATOM 661 N LEU A 102 6.372 -1.908 7.818 1.00 54.04 N ATOM 662 CA LEU A 102 5.960 -1.238 6.573 1.00 30.43 C ATOM 663 C LEU A 102 6.146 -2.221 5.405 1.00 32.52 C ATOM 664 O LEU A 102 5.287 -2.321 4.530 1.00 22.31 O ATOM 665 CB LEU A 102 6.795 0.061 6.369 1.00 53.20 C ATOM 666 CG LEU A 102 6.412 0.978 5.165 1.00 50.33 C ATOM 667 CD1 LEU A 102 4.944 1.410 5.229 1.00 75.22 C ATOM 668 CD2 LEU A 102 7.338 2.209 5.091 1.00 61.35 C ATOM 0 H LEU A 102 7.288 -1.611 8.154 1.00 54.04 H new ATOM 0 HA LEU A 102 4.911 -0.947 6.623 1.00 30.43 H new ATOM 0 HB2 LEU A 102 6.724 0.654 7.281 1.00 53.20 H new ATOM 0 HB3 LEU A 102 7.841 -0.225 6.256 1.00 53.20 H new ATOM 0 HG LEU A 102 6.546 0.392 4.256 1.00 50.33 H new ATOM 0 HD11 LEU A 102 4.715 2.047 4.375 1.00 75.22 H new ATOM 0 HD12 LEU A 102 4.304 0.528 5.206 1.00 75.22 H new ATOM 0 HD13 LEU A 102 4.767 1.963 6.152 1.00 75.22 H new ATOM 0 HD21 LEU A 102 7.049 2.831 4.244 1.00 61.35 H new ATOM 0 HD22 LEU A 102 7.250 2.786 6.011 1.00 61.35 H new ATOM 0 HD23 LEU A 102 8.370 1.881 4.966 1.00 61.35 H new ATOM 680 N LYS A 103 7.279 -2.962 5.440 1.00 75.01 N ATOM 681 CA LYS A 103 7.574 -4.061 4.501 1.00 72.55 C ATOM 682 C LYS A 103 6.532 -5.170 4.621 1.00 71.34 C ATOM 683 O LYS A 103 6.016 -5.645 3.615 1.00 5.25 O ATOM 684 CB LYS A 103 8.986 -4.627 4.763 1.00 63.41 C ATOM 685 CG LYS A 103 10.133 -3.636 4.487 1.00 44.43 C ATOM 686 CD LYS A 103 11.516 -4.197 4.881 1.00 35.02 C ATOM 687 CE LYS A 103 11.839 -5.543 4.204 1.00 15.34 C ATOM 688 NZ LYS A 103 13.222 -5.993 4.504 1.00 1.11 N ATOM 0 H LYS A 103 8.017 -2.810 6.127 1.00 75.01 H new ATOM 0 HA LYS A 103 7.537 -3.662 3.487 1.00 72.55 H new ATOM 0 HB2 LYS A 103 9.046 -4.953 5.801 1.00 63.41 H new ATOM 0 HB3 LYS A 103 9.130 -5.512 4.143 1.00 63.41 H new ATOM 0 HG2 LYS A 103 10.138 -3.380 3.428 1.00 44.43 H new ATOM 0 HG3 LYS A 103 9.950 -2.713 5.037 1.00 44.43 H new ATOM 0 HD2 LYS A 103 12.285 -3.471 4.617 1.00 35.02 H new ATOM 0 HD3 LYS A 103 11.555 -4.323 5.963 1.00 35.02 H new ATOM 0 HE2 LYS A 103 11.130 -6.299 4.541 1.00 15.34 H new ATOM 0 HE3 LYS A 103 11.714 -5.447 3.125 1.00 15.34 H new ATOM 0 HZ1 LYS A 103 13.402 -6.902 4.031 1.00 1.11 H new ATOM 0 HZ2 LYS A 103 13.900 -5.284 4.160 1.00 1.11 H new ATOM 0 HZ3 LYS A 103 13.334 -6.109 5.531 1.00 1.11 H new ATOM 702 N ARG A 104 6.225 -5.549 5.879 1.00 14.21 N ATOM 703 CA ARG A 104 5.200 -6.554 6.193 1.00 41.23 C ATOM 704 C ARG A 104 3.825 -6.074 5.689 1.00 10.13 C ATOM 705 O ARG A 104 3.013 -6.882 5.232 1.00 61.50 O ATOM 706 CB ARG A 104 5.154 -6.811 7.722 1.00 72.33 C ATOM 707 CG ARG A 104 4.125 -7.874 8.182 1.00 22.04 C ATOM 708 CD ARG A 104 4.091 -8.030 9.710 1.00 13.11 C ATOM 709 NE ARG A 104 3.163 -9.088 10.146 1.00 63.41 N ATOM 710 CZ ARG A 104 3.348 -9.888 11.214 1.00 40.25 C ATOM 711 NH1 ARG A 104 4.435 -9.779 11.976 1.00 0.42 N ATOM 712 NH2 ARG A 104 2.420 -10.778 11.534 1.00 13.44 N ATOM 0 H ARG A 104 6.684 -5.163 6.704 1.00 14.21 H new ATOM 0 HA ARG A 104 5.453 -7.488 5.692 1.00 41.23 H new ATOM 0 HB2 ARG A 104 6.145 -7.122 8.052 1.00 72.33 H new ATOM 0 HB3 ARG A 104 4.931 -5.871 8.226 1.00 72.33 H new ATOM 0 HG2 ARG A 104 3.134 -7.595 7.825 1.00 22.04 H new ATOM 0 HG3 ARG A 104 4.369 -8.834 7.726 1.00 22.04 H new ATOM 0 HD2 ARG A 104 5.094 -8.258 10.072 1.00 13.11 H new ATOM 0 HD3 ARG A 104 3.797 -7.083 10.163 1.00 13.11 H new ATOM 0 HE ARG A 104 2.315 -9.225 9.597 1.00 63.41 H new ATOM 0 HH11 ARG A 104 5.145 -9.081 11.755 1.00 0.42 H new ATOM 0 HH12 ARG A 104 4.557 -10.394 12.781 1.00 0.42 H new ATOM 0 HH21 ARG A 104 1.572 -10.854 10.973 1.00 13.44 H new ATOM 0 HH22 ARG A 104 2.554 -11.387 12.341 1.00 13.44 H new ATOM 726 N GLY A 105 3.601 -4.741 5.785 1.00 60.55 N ATOM 727 CA GLY A 105 2.399 -4.098 5.282 1.00 62.41 C ATOM 728 C GLY A 105 2.234 -4.245 3.775 1.00 43.32 C ATOM 729 O GLY A 105 1.139 -4.563 3.316 1.00 51.02 O ATOM 0 H GLY A 105 4.261 -4.094 6.217 1.00 60.55 H new ATOM 0 HA2 GLY A 105 1.529 -4.525 5.781 1.00 62.41 H new ATOM 0 HA3 GLY A 105 2.426 -3.039 5.538 1.00 62.41 H new ATOM 733 N ILE A 106 3.326 -4.006 3.010 1.00 14.24 N ATOM 734 CA ILE A 106 3.332 -4.164 1.538 1.00 65.53 C ATOM 735 C ILE A 106 3.088 -5.645 1.140 1.00 62.02 C ATOM 736 O ILE A 106 2.332 -5.919 0.202 1.00 44.31 O ATOM 737 CB ILE A 106 4.668 -3.579 0.872 1.00 4.31 C ATOM 738 CG1 ILE A 106 4.536 -2.042 0.555 1.00 42.45 C ATOM 739 CG2 ILE A 106 5.102 -4.349 -0.411 1.00 74.11 C ATOM 740 CD1 ILE A 106 4.510 -1.103 1.742 1.00 53.33 C ATOM 0 H ILE A 106 4.220 -3.701 3.393 1.00 14.24 H new ATOM 0 HA ILE A 106 2.507 -3.572 1.142 1.00 65.53 H new ATOM 0 HB ILE A 106 5.450 -3.722 1.618 1.00 4.31 H new ATOM 0 HG12 ILE A 106 5.368 -1.755 -0.088 1.00 42.45 H new ATOM 0 HG13 ILE A 106 3.622 -1.890 -0.019 1.00 42.45 H new ATOM 0 HG21 ILE A 106 6.012 -3.903 -0.812 1.00 74.11 H new ATOM 0 HG22 ILE A 106 5.289 -5.394 -0.163 1.00 74.11 H new ATOM 0 HG23 ILE A 106 4.309 -4.289 -1.157 1.00 74.11 H new ATOM 0 HD11 ILE A 106 4.416 -0.075 1.391 1.00 53.33 H new ATOM 0 HD12 ILE A 106 3.661 -1.347 2.381 1.00 53.33 H new ATOM 0 HD13 ILE A 106 5.434 -1.209 2.310 1.00 53.33 H new ATOM 752 N ILE A 107 3.713 -6.588 1.875 1.00 31.45 N ATOM 753 CA ILE A 107 3.555 -8.044 1.634 1.00 1.41 C ATOM 754 C ILE A 107 2.085 -8.471 1.865 1.00 44.33 C ATOM 755 O ILE A 107 1.503 -9.220 1.070 1.00 23.35 O ATOM 756 CB ILE A 107 4.524 -8.883 2.557 1.00 12.50 C ATOM 757 CG1 ILE A 107 6.018 -8.521 2.256 1.00 60.30 C ATOM 758 CG2 ILE A 107 4.280 -10.409 2.404 1.00 35.55 C ATOM 759 CD1 ILE A 107 7.037 -9.143 3.201 1.00 44.41 C ATOM 0 H ILE A 107 4.339 -6.367 2.649 1.00 31.45 H new ATOM 0 HA ILE A 107 3.821 -8.245 0.596 1.00 1.41 H new ATOM 0 HB ILE A 107 4.307 -8.622 3.593 1.00 12.50 H new ATOM 0 HG12 ILE A 107 6.253 -8.832 1.238 1.00 60.30 H new ATOM 0 HG13 ILE A 107 6.127 -7.437 2.292 1.00 60.30 H new ATOM 0 HG21 ILE A 107 4.965 -10.954 3.054 1.00 35.55 H new ATOM 0 HG22 ILE A 107 3.252 -10.643 2.682 1.00 35.55 H new ATOM 0 HG23 ILE A 107 4.452 -10.703 1.368 1.00 35.55 H new ATOM 0 HD11 ILE A 107 8.040 -8.833 2.910 1.00 44.41 H new ATOM 0 HD12 ILE A 107 6.837 -8.813 4.220 1.00 44.41 H new ATOM 0 HD13 ILE A 107 6.964 -10.229 3.150 1.00 44.41 H new ATOM 771 N HIS A 108 1.508 -7.932 2.951 1.00 3.00 N ATOM 772 CA HIS A 108 0.122 -8.195 3.369 1.00 31.33 C ATOM 773 C HIS A 108 -0.865 -7.580 2.354 1.00 60.13 C ATOM 774 O HIS A 108 -1.839 -8.228 1.960 1.00 41.23 O ATOM 775 CB HIS A 108 -0.108 -7.616 4.798 1.00 31.30 C ATOM 776 CG HIS A 108 -1.477 -7.849 5.384 1.00 74.12 C ATOM 777 ND1 HIS A 108 -1.999 -7.067 6.384 1.00 20.21 N ATOM 778 CD2 HIS A 108 -2.415 -8.791 5.131 1.00 52.34 C ATOM 779 CE1 HIS A 108 -3.187 -7.512 6.713 1.00 13.55 C ATOM 780 NE2 HIS A 108 -3.467 -8.555 5.967 1.00 44.21 N ATOM 0 H HIS A 108 2.000 -7.291 3.573 1.00 3.00 H new ATOM 0 HA HIS A 108 -0.054 -9.270 3.397 1.00 31.33 H new ATOM 0 HB2 HIS A 108 0.633 -8.049 5.469 1.00 31.30 H new ATOM 0 HB3 HIS A 108 0.077 -6.542 4.769 1.00 31.30 H new ATOM 0 HD2 HIS A 108 -2.344 -9.584 4.401 1.00 52.34 H new ATOM 0 HE1 HIS A 108 -3.829 -7.090 7.472 1.00 13.55 H new ATOM 0 HE2 HIS A 108 -4.329 -9.099 6.006 1.00 44.21 H new ATOM 789 N ALA A 109 -0.567 -6.341 1.920 1.00 63.11 N ATOM 790 CA ALA A 109 -1.418 -5.582 0.995 1.00 51.24 C ATOM 791 C ALA A 109 -1.492 -6.281 -0.365 1.00 14.03 C ATOM 792 O ALA A 109 -2.581 -6.493 -0.892 1.00 71.13 O ATOM 793 CB ALA A 109 -0.902 -4.141 0.839 1.00 74.51 C ATOM 0 H ALA A 109 0.275 -5.840 2.204 1.00 63.11 H new ATOM 0 HA ALA A 109 -2.424 -5.539 1.413 1.00 51.24 H new ATOM 0 HB1 ALA A 109 -1.547 -3.596 0.149 1.00 74.51 H new ATOM 0 HB2 ALA A 109 -0.908 -3.645 1.810 1.00 74.51 H new ATOM 0 HB3 ALA A 109 0.115 -4.159 0.447 1.00 74.51 H new ATOM 799 N ARG A 110 -0.318 -6.697 -0.879 1.00 45.51 N ATOM 800 CA ARG A 110 -0.195 -7.328 -2.205 1.00 4.24 C ATOM 801 C ARG A 110 -0.856 -8.715 -2.214 1.00 22.13 C ATOM 802 O ARG A 110 -1.428 -9.126 -3.227 1.00 33.15 O ATOM 803 CB ARG A 110 1.292 -7.445 -2.622 1.00 5.03 C ATOM 804 CG ARG A 110 1.490 -8.008 -4.041 1.00 72.41 C ATOM 805 CD ARG A 110 2.954 -8.144 -4.455 1.00 55.44 C ATOM 806 NE ARG A 110 3.060 -8.727 -5.799 1.00 24.20 N ATOM 807 CZ ARG A 110 3.961 -8.388 -6.727 1.00 31.24 C ATOM 808 NH1 ARG A 110 4.873 -7.452 -6.483 1.00 14.12 N ATOM 809 NH2 ARG A 110 3.941 -8.998 -7.899 1.00 5.14 N ATOM 0 H ARG A 110 0.570 -6.605 -0.386 1.00 45.51 H new ATOM 0 HA ARG A 110 -0.710 -6.693 -2.926 1.00 4.24 H new ATOM 0 HB2 ARG A 110 1.756 -6.461 -2.562 1.00 5.03 H new ATOM 0 HB3 ARG A 110 1.811 -8.086 -1.910 1.00 5.03 H new ATOM 0 HG2 ARG A 110 1.013 -8.986 -4.103 1.00 72.41 H new ATOM 0 HG3 ARG A 110 0.980 -7.359 -4.753 1.00 72.41 H new ATOM 0 HD2 ARG A 110 3.434 -7.166 -4.438 1.00 55.44 H new ATOM 0 HD3 ARG A 110 3.483 -8.771 -3.738 1.00 55.44 H new ATOM 0 HE ARG A 110 2.388 -9.454 -6.046 1.00 24.20 H new ATOM 0 HH11 ARG A 110 4.892 -6.982 -5.578 1.00 14.12 H new ATOM 0 HH12 ARG A 110 5.554 -7.204 -7.201 1.00 14.12 H new ATOM 0 HH21 ARG A 110 3.244 -9.718 -8.087 1.00 5.14 H new ATOM 0 HH22 ARG A 110 4.623 -8.749 -8.615 1.00 5.14 H new ATOM 823 N ALA A 111 -0.796 -9.400 -1.051 1.00 32.04 N ATOM 824 CA ALA A 111 -1.390 -10.736 -0.864 1.00 12.45 C ATOM 825 C ALA A 111 -2.922 -10.672 -0.981 1.00 63.23 C ATOM 826 O ALA A 111 -3.573 -11.648 -1.356 1.00 54.32 O ATOM 827 CB ALA A 111 -0.983 -11.305 0.499 1.00 0.12 C ATOM 0 H ALA A 111 -0.333 -9.039 -0.217 1.00 32.04 H new ATOM 0 HA ALA A 111 -1.016 -11.394 -1.648 1.00 12.45 H new ATOM 0 HB1 ALA A 111 -1.427 -12.292 0.628 1.00 0.12 H new ATOM 0 HB2 ALA A 111 0.103 -11.385 0.550 1.00 0.12 H new ATOM 0 HB3 ALA A 111 -1.335 -10.643 1.290 1.00 0.12 H new ATOM 833 N LEU A 112 -3.467 -9.498 -0.651 1.00 4.13 N ATOM 834 CA LEU A 112 -4.897 -9.204 -0.758 1.00 45.01 C ATOM 835 C LEU A 112 -5.261 -8.830 -2.207 1.00 15.51 C ATOM 836 O LEU A 112 -6.201 -9.401 -2.766 1.00 32.34 O ATOM 837 CB LEU A 112 -5.271 -8.084 0.249 1.00 42.05 C ATOM 838 CG LEU A 112 -5.070 -8.474 1.748 1.00 53.31 C ATOM 839 CD1 LEU A 112 -5.295 -7.287 2.699 1.00 64.44 C ATOM 840 CD2 LEU A 112 -5.957 -9.673 2.124 1.00 74.23 C ATOM 0 H LEU A 112 -2.919 -8.714 -0.297 1.00 4.13 H new ATOM 0 HA LEU A 112 -5.477 -10.091 -0.504 1.00 45.01 H new ATOM 0 HB2 LEU A 112 -4.670 -7.201 0.032 1.00 42.05 H new ATOM 0 HB3 LEU A 112 -6.314 -7.806 0.095 1.00 42.05 H new ATOM 0 HG LEU A 112 -4.028 -8.770 1.866 1.00 53.31 H new ATOM 0 HD11 LEU A 112 -5.143 -7.612 3.728 1.00 64.44 H new ATOM 0 HD12 LEU A 112 -4.589 -6.491 2.461 1.00 64.44 H new ATOM 0 HD13 LEU A 112 -6.313 -6.915 2.582 1.00 64.44 H new ATOM 0 HD21 LEU A 112 -5.800 -9.927 3.172 1.00 74.23 H new ATOM 0 HD22 LEU A 112 -7.004 -9.415 1.966 1.00 74.23 H new ATOM 0 HD23 LEU A 112 -5.696 -10.528 1.501 1.00 74.23 H new ATOM 852 N VAL A 113 -4.459 -7.919 -2.824 1.00 72.01 N ATOM 853 CA VAL A 113 -4.722 -7.395 -4.191 1.00 71.11 C ATOM 854 C VAL A 113 -4.741 -8.528 -5.239 1.00 41.14 C ATOM 855 O VAL A 113 -5.637 -8.569 -6.081 1.00 54.22 O ATOM 856 CB VAL A 113 -3.673 -6.298 -4.631 1.00 33.04 C ATOM 857 CG1 VAL A 113 -4.013 -5.719 -6.033 1.00 43.11 C ATOM 858 CG2 VAL A 113 -3.570 -5.162 -3.588 1.00 12.14 C ATOM 0 H VAL A 113 -3.620 -7.531 -2.392 1.00 72.01 H new ATOM 0 HA VAL A 113 -5.706 -6.929 -4.145 1.00 71.11 H new ATOM 0 HB VAL A 113 -2.702 -6.790 -4.692 1.00 33.04 H new ATOM 0 HG11 VAL A 113 -3.272 -4.967 -6.306 1.00 43.11 H new ATOM 0 HG12 VAL A 113 -4.004 -6.522 -6.770 1.00 43.11 H new ATOM 0 HG13 VAL A 113 -5.002 -5.261 -6.008 1.00 43.11 H new ATOM 0 HG21 VAL A 113 -2.840 -4.426 -3.923 1.00 12.14 H new ATOM 0 HG22 VAL A 113 -4.543 -4.683 -3.474 1.00 12.14 H new ATOM 0 HG23 VAL A 113 -3.255 -5.575 -2.630 1.00 12.14 H new ATOM 868 N ARG A 114 -3.750 -9.449 -5.147 1.00 32.33 N ATOM 869 CA ARG A 114 -3.587 -10.585 -6.093 1.00 12.21 C ATOM 870 C ARG A 114 -4.843 -11.507 -6.105 1.00 72.50 C ATOM 871 O ARG A 114 -5.293 -11.953 -7.162 1.00 54.53 O ATOM 872 CB ARG A 114 -2.322 -11.428 -5.729 1.00 41.41 C ATOM 873 CG ARG A 114 -2.390 -12.070 -4.324 1.00 61.52 C ATOM 874 CD ARG A 114 -1.319 -13.116 -4.027 1.00 22.42 C ATOM 875 NE ARG A 114 -1.549 -13.722 -2.704 1.00 50.10 N ATOM 876 CZ ARG A 114 -0.652 -14.408 -1.986 1.00 21.02 C ATOM 877 NH1 ARG A 114 0.583 -14.605 -2.432 1.00 71.32 N ATOM 878 NH2 ARG A 114 -1.014 -14.903 -0.814 1.00 34.51 N ATOM 0 H ARG A 114 -3.040 -9.427 -4.415 1.00 32.33 H new ATOM 0 HA ARG A 114 -3.464 -10.160 -7.089 1.00 12.21 H new ATOM 0 HB2 ARG A 114 -2.193 -12.214 -6.473 1.00 41.41 H new ATOM 0 HB3 ARG A 114 -1.441 -10.789 -5.785 1.00 41.41 H new ATOM 0 HG2 ARG A 114 -2.317 -11.279 -3.578 1.00 61.52 H new ATOM 0 HG3 ARG A 114 -3.369 -12.533 -4.202 1.00 61.52 H new ATOM 0 HD2 ARG A 114 -1.333 -13.889 -4.796 1.00 22.42 H new ATOM 0 HD3 ARG A 114 -0.332 -12.654 -4.056 1.00 22.42 H new ATOM 0 HE ARG A 114 -2.478 -13.608 -2.298 1.00 50.10 H new ATOM 0 HH11 ARG A 114 0.864 -14.230 -3.338 1.00 71.32 H new ATOM 0 HH12 ARG A 114 1.251 -15.131 -1.868 1.00 71.32 H new ATOM 0 HH21 ARG A 114 -1.964 -14.759 -0.471 1.00 34.51 H new ATOM 0 HH22 ARG A 114 -0.343 -15.429 -0.253 1.00 34.51 H new ATOM 1319 N THR B 75 -5.012 -3.382 -11.377 1.00 3.11 N ATOM 1320 CA THR B 75 -3.668 -3.922 -11.655 1.00 15.11 C ATOM 1321 C THR B 75 -2.608 -2.835 -11.359 1.00 62.12 C ATOM 1322 O THR B 75 -1.477 -3.141 -10.949 1.00 3.41 O ATOM 1323 CB THR B 75 -3.566 -4.415 -13.140 1.00 44.21 C ATOM 1324 OG1 THR B 75 -4.588 -5.395 -13.382 1.00 74.10 O ATOM 1325 CG2 THR B 75 -2.199 -5.025 -13.485 1.00 33.42 C ATOM 0 HA THR B 75 -3.485 -4.781 -11.009 1.00 15.11 H new ATOM 0 HB THR B 75 -3.696 -3.539 -13.775 1.00 44.21 H new ATOM 0 HG1 THR B 75 -5.353 -5.222 -12.795 1.00 74.10 H new ATOM 0 HG21 THR B 75 -2.196 -5.346 -14.527 1.00 33.42 H new ATOM 0 HG22 THR B 75 -1.419 -4.279 -13.333 1.00 33.42 H new ATOM 0 HG23 THR B 75 -2.011 -5.884 -12.841 1.00 33.42 H new ATOM 1333 N ASP B 76 -3.011 -1.552 -11.585 1.00 41.53 N ATOM 1334 CA ASP B 76 -2.249 -0.371 -11.131 1.00 51.03 C ATOM 1335 C ASP B 76 -1.983 -0.472 -9.625 1.00 73.20 C ATOM 1336 O ASP B 76 -0.868 -0.195 -9.201 1.00 2.32 O ATOM 1337 CB ASP B 76 -2.967 0.977 -11.456 1.00 12.11 C ATOM 1338 CG ASP B 76 -2.889 1.369 -12.939 1.00 73.14 C ATOM 1339 OD1 ASP B 76 -3.733 0.919 -13.734 1.00 53.41 O ATOM 1340 OD2 ASP B 76 -1.974 2.127 -13.324 1.00 55.31 O ATOM 0 H ASP B 76 -3.869 -1.318 -12.085 1.00 41.53 H new ATOM 0 HA ASP B 76 -1.307 -0.368 -11.679 1.00 51.03 H new ATOM 0 HB2 ASP B 76 -4.014 0.902 -11.162 1.00 12.11 H new ATOM 0 HB3 ASP B 76 -2.523 1.770 -10.855 1.00 12.11 H new ATOM 1345 N LEU B 77 -3.008 -0.910 -8.835 1.00 23.04 N ATOM 1346 CA LEU B 77 -2.870 -1.056 -7.367 1.00 1.24 C ATOM 1347 C LEU B 77 -1.784 -2.068 -7.005 1.00 11.43 C ATOM 1348 O LEU B 77 -0.925 -1.761 -6.188 1.00 33.12 O ATOM 1349 CB LEU B 77 -4.205 -1.450 -6.678 1.00 20.12 C ATOM 1350 CG LEU B 77 -4.120 -1.611 -5.114 1.00 41.33 C ATOM 1351 CD1 LEU B 77 -3.622 -0.327 -4.433 1.00 42.22 C ATOM 1352 CD2 LEU B 77 -5.452 -2.062 -4.514 1.00 11.41 C ATOM 0 H LEU B 77 -3.928 -1.164 -9.194 1.00 23.04 H new ATOM 0 HA LEU B 77 -2.579 -0.074 -6.994 1.00 1.24 H new ATOM 0 HB2 LEU B 77 -4.954 -0.694 -6.911 1.00 20.12 H new ATOM 0 HB3 LEU B 77 -4.556 -2.389 -7.107 1.00 20.12 H new ATOM 0 HG LEU B 77 -3.387 -2.395 -4.922 1.00 41.33 H new ATOM 0 HD11 LEU B 77 -3.578 -0.481 -3.355 1.00 42.22 H new ATOM 0 HD12 LEU B 77 -2.628 -0.080 -4.805 1.00 42.22 H new ATOM 0 HD13 LEU B 77 -4.306 0.492 -4.655 1.00 42.22 H new ATOM 0 HD21 LEU B 77 -5.349 -2.161 -3.433 1.00 11.41 H new ATOM 0 HD22 LEU B 77 -6.221 -1.323 -4.739 1.00 11.41 H new ATOM 0 HD23 LEU B 77 -5.736 -3.024 -4.941 1.00 11.41 H new ATOM 1364 N LEU B 78 -1.840 -3.262 -7.635 1.00 71.01 N ATOM 1365 CA LEU B 78 -0.850 -4.348 -7.433 1.00 3.25 C ATOM 1366 C LEU B 78 0.592 -3.813 -7.586 1.00 30.23 C ATOM 1367 O LEU B 78 1.491 -4.141 -6.801 1.00 60.04 O ATOM 1368 CB LEU B 78 -1.118 -5.478 -8.470 1.00 53.22 C ATOM 1369 CG LEU B 78 -0.250 -6.772 -8.331 1.00 43.43 C ATOM 1370 CD1 LEU B 78 -0.608 -7.559 -7.054 1.00 24.14 C ATOM 1371 CD2 LEU B 78 -0.346 -7.650 -9.600 1.00 64.04 C ATOM 0 H LEU B 78 -2.575 -3.502 -8.300 1.00 71.01 H new ATOM 0 HA LEU B 78 -0.955 -4.743 -6.423 1.00 3.25 H new ATOM 0 HB2 LEU B 78 -2.168 -5.762 -8.401 1.00 53.22 H new ATOM 0 HB3 LEU B 78 -0.963 -5.069 -9.468 1.00 53.22 H new ATOM 0 HG LEU B 78 0.791 -6.464 -8.231 1.00 43.43 H new ATOM 0 HD11 LEU B 78 0.014 -8.452 -6.990 1.00 24.14 H new ATOM 0 HD12 LEU B 78 -0.434 -6.932 -6.179 1.00 24.14 H new ATOM 0 HD13 LEU B 78 -1.658 -7.850 -7.089 1.00 24.14 H new ATOM 0 HD21 LEU B 78 0.268 -8.542 -9.473 1.00 64.04 H new ATOM 0 HD22 LEU B 78 -1.383 -7.944 -9.762 1.00 64.04 H new ATOM 0 HD23 LEU B 78 0.010 -7.085 -10.461 1.00 64.04 H new ATOM 1383 N SER B 79 0.763 -2.966 -8.614 1.00 13.14 N ATOM 1384 CA SER B 79 2.030 -2.309 -8.937 1.00 22.20 C ATOM 1385 C SER B 79 2.390 -1.198 -7.928 1.00 75.21 C ATOM 1386 O SER B 79 3.550 -1.091 -7.534 1.00 61.21 O ATOM 1387 CB SER B 79 1.948 -1.761 -10.364 1.00 33.30 C ATOM 1388 OG SER B 79 1.647 -2.806 -11.274 1.00 25.50 O ATOM 0 H SER B 79 0.008 -2.717 -9.253 1.00 13.14 H new ATOM 0 HA SER B 79 2.832 -3.044 -8.870 1.00 22.20 H new ATOM 0 HB2 SER B 79 1.182 -0.988 -10.421 1.00 33.30 H new ATOM 0 HB3 SER B 79 2.894 -1.293 -10.636 1.00 33.30 H new ATOM 0 HG SER B 79 0.685 -2.994 -11.250 1.00 25.50 H new ATOM 1394 N VAL B 80 1.382 -0.393 -7.492 1.00 2.53 N ATOM 1395 CA VAL B 80 1.595 0.712 -6.523 1.00 1.43 C ATOM 1396 C VAL B 80 2.130 0.156 -5.192 1.00 2.44 C ATOM 1397 O VAL B 80 3.042 0.741 -4.610 1.00 51.22 O ATOM 1398 CB VAL B 80 0.278 1.565 -6.287 1.00 32.34 C ATOM 1399 CG1 VAL B 80 0.422 2.557 -5.101 1.00 25.31 C ATOM 1400 CG2 VAL B 80 -0.121 2.329 -7.573 1.00 61.41 C ATOM 0 H VAL B 80 0.414 -0.491 -7.798 1.00 2.53 H new ATOM 0 HA VAL B 80 2.337 1.386 -6.952 1.00 1.43 H new ATOM 0 HB VAL B 80 -0.512 0.859 -6.031 1.00 32.34 H new ATOM 0 HG11 VAL B 80 -0.505 3.117 -4.980 1.00 25.31 H new ATOM 0 HG12 VAL B 80 0.633 2.003 -4.186 1.00 25.31 H new ATOM 0 HG13 VAL B 80 1.240 3.249 -5.303 1.00 25.31 H new ATOM 0 HG21 VAL B 80 -1.026 2.907 -7.387 1.00 61.41 H new ATOM 0 HG22 VAL B 80 0.686 3.002 -7.861 1.00 61.41 H new ATOM 0 HG23 VAL B 80 -0.304 1.617 -8.377 1.00 61.41 H new ATOM 1410 N ILE B 81 1.566 -0.995 -4.758 1.00 63.43 N ATOM 1411 CA ILE B 81 1.991 -1.704 -3.535 1.00 61.33 C ATOM 1412 C ILE B 81 3.507 -1.976 -3.555 1.00 1.52 C ATOM 1413 O ILE B 81 4.228 -1.580 -2.635 1.00 71.55 O ATOM 1414 CB ILE B 81 1.205 -3.063 -3.329 1.00 71.13 C ATOM 1415 CG1 ILE B 81 -0.344 -2.837 -3.302 1.00 32.30 C ATOM 1416 CG2 ILE B 81 1.669 -3.781 -2.040 1.00 63.10 C ATOM 1417 CD1 ILE B 81 -0.845 -1.893 -2.226 1.00 35.12 C ATOM 0 H ILE B 81 0.801 -1.457 -5.250 1.00 63.43 H new ATOM 0 HA ILE B 81 1.755 -1.050 -2.696 1.00 61.33 H new ATOM 0 HB ILE B 81 1.434 -3.701 -4.183 1.00 71.13 H new ATOM 0 HG12 ILE B 81 -0.655 -2.452 -4.273 1.00 32.30 H new ATOM 0 HG13 ILE B 81 -0.833 -3.802 -3.171 1.00 32.30 H new ATOM 0 HG21 ILE B 81 1.114 -4.711 -1.922 1.00 63.10 H new ATOM 0 HG22 ILE B 81 2.734 -4.000 -2.109 1.00 63.10 H new ATOM 0 HG23 ILE B 81 1.486 -3.138 -1.179 1.00 63.10 H new ATOM 0 HD11 ILE B 81 -1.929 -1.806 -2.294 1.00 35.12 H new ATOM 0 HD12 ILE B 81 -0.573 -2.283 -1.245 1.00 35.12 H new ATOM 0 HD13 ILE B 81 -0.393 -0.911 -2.364 1.00 35.12 H new ATOM 1429 N GLU B 82 3.980 -2.604 -4.639 1.00 74.24 N ATOM 1430 CA GLU B 82 5.390 -3.012 -4.761 1.00 11.13 C ATOM 1431 C GLU B 82 6.322 -1.814 -5.051 1.00 4.42 C ATOM 1432 O GLU B 82 7.511 -1.880 -4.720 1.00 13.11 O ATOM 1433 CB GLU B 82 5.560 -4.118 -5.825 1.00 41.31 C ATOM 1434 CG GLU B 82 5.393 -3.664 -7.286 1.00 54.24 C ATOM 1435 CD GLU B 82 5.600 -4.783 -8.319 1.00 44.32 C ATOM 1436 OE1 GLU B 82 6.452 -5.668 -8.104 1.00 31.31 O ATOM 1437 OE2 GLU B 82 4.918 -4.790 -9.353 1.00 32.15 O ATOM 0 H GLU B 82 3.406 -2.842 -5.448 1.00 74.24 H new ATOM 0 HA GLU B 82 5.687 -3.421 -3.795 1.00 11.13 H new ATOM 0 HB2 GLU B 82 6.550 -4.558 -5.711 1.00 41.31 H new ATOM 0 HB3 GLU B 82 4.835 -4.907 -5.623 1.00 41.31 H new ATOM 0 HG2 GLU B 82 4.394 -3.247 -7.414 1.00 54.24 H new ATOM 0 HG3 GLU B 82 6.102 -2.861 -7.489 1.00 54.24 H new ATOM 1444 N GLU B 83 5.784 -0.722 -5.660 1.00 13.43 N ATOM 1445 CA GLU B 83 6.554 0.529 -5.861 1.00 23.33 C ATOM 1446 C GLU B 83 6.852 1.165 -4.502 1.00 51.22 C ATOM 1447 O GLU B 83 7.981 1.569 -4.235 1.00 41.50 O ATOM 1448 CB GLU B 83 5.802 1.552 -6.767 1.00 62.30 C ATOM 1449 CG GLU B 83 5.631 1.130 -8.241 1.00 4.40 C ATOM 1450 CD GLU B 83 6.952 0.711 -8.916 1.00 42.44 C ATOM 1451 OE1 GLU B 83 7.811 1.596 -9.167 1.00 71.00 O ATOM 1452 OE2 GLU B 83 7.140 -0.488 -9.206 1.00 22.41 O ATOM 0 H GLU B 83 4.829 -0.686 -6.016 1.00 13.43 H new ATOM 0 HA GLU B 83 7.481 0.267 -6.370 1.00 23.33 H new ATOM 0 HB2 GLU B 83 4.815 1.731 -6.341 1.00 62.30 H new ATOM 0 HB3 GLU B 83 6.339 2.500 -6.738 1.00 62.30 H new ATOM 0 HG2 GLU B 83 4.926 0.301 -8.294 1.00 4.40 H new ATOM 0 HG3 GLU B 83 5.193 1.957 -8.799 1.00 4.40 H new ATOM 1459 N MET B 84 5.807 1.234 -3.654 1.00 34.35 N ATOM 1460 CA MET B 84 5.921 1.667 -2.254 1.00 34.44 C ATOM 1461 C MET B 84 6.894 0.766 -1.478 1.00 12.13 C ATOM 1462 O MET B 84 7.629 1.242 -0.615 1.00 4.43 O ATOM 1463 CB MET B 84 4.520 1.680 -1.584 1.00 33.40 C ATOM 1464 CG MET B 84 3.544 2.689 -2.201 1.00 13.12 C ATOM 1465 SD MET B 84 1.973 2.799 -1.321 1.00 4.45 S ATOM 1466 CE MET B 84 1.390 1.109 -1.289 1.00 71.14 C ATOM 0 H MET B 84 4.855 0.988 -3.927 1.00 34.35 H new ATOM 0 HA MET B 84 6.323 2.680 -2.235 1.00 34.44 H new ATOM 0 HB2 MET B 84 4.087 0.682 -1.652 1.00 33.40 H new ATOM 0 HB3 MET B 84 4.637 1.905 -0.524 1.00 33.40 H new ATOM 0 HG2 MET B 84 4.012 3.673 -2.217 1.00 13.12 H new ATOM 0 HG3 MET B 84 3.352 2.411 -3.237 1.00 13.12 H new ATOM 0 HE1 MET B 84 0.468 1.053 -0.710 1.00 71.14 H new ATOM 0 HE2 MET B 84 1.200 0.770 -2.308 1.00 71.14 H new ATOM 0 HE3 MET B 84 2.146 0.472 -0.830 1.00 71.14 H new ATOM 1476 N GLY B 85 6.887 -0.536 -1.831 1.00 4.01 N ATOM 1477 CA GLY B 85 7.826 -1.517 -1.283 1.00 21.55 C ATOM 1478 C GLY B 85 9.290 -1.189 -1.590 1.00 21.52 C ATOM 1479 O GLY B 85 10.182 -1.470 -0.777 1.00 5.14 O ATOM 0 H GLY B 85 6.228 -0.929 -2.503 1.00 4.01 H new ATOM 0 HA2 GLY B 85 7.692 -1.574 -0.203 1.00 21.55 H new ATOM 0 HA3 GLY B 85 7.589 -2.502 -1.686 1.00 21.55 H new ATOM 1483 N LYS B 86 9.525 -0.555 -2.755 1.00 41.42 N ATOM 1484 CA LYS B 86 10.867 -0.117 -3.187 1.00 43.34 C ATOM 1485 C LYS B 86 11.257 1.183 -2.447 1.00 41.21 C ATOM 1486 O LYS B 86 12.445 1.432 -2.217 1.00 23.24 O ATOM 1487 CB LYS B 86 10.890 0.112 -4.730 1.00 3.52 C ATOM 1488 CG LYS B 86 10.549 -1.149 -5.564 1.00 41.21 C ATOM 1489 CD LYS B 86 10.261 -0.835 -7.055 1.00 62.22 C ATOM 1490 CE LYS B 86 9.706 -2.050 -7.834 1.00 50.13 C ATOM 1491 NZ LYS B 86 10.710 -3.131 -8.016 1.00 42.22 N ATOM 0 H LYS B 86 8.789 -0.332 -3.424 1.00 41.42 H new ATOM 0 HA LYS B 86 11.590 -0.895 -2.942 1.00 43.34 H new ATOM 0 HB2 LYS B 86 10.181 0.902 -4.980 1.00 3.52 H new ATOM 0 HB3 LYS B 86 11.879 0.468 -5.019 1.00 3.52 H new ATOM 0 HG2 LYS B 86 11.378 -1.854 -5.501 1.00 41.21 H new ATOM 0 HG3 LYS B 86 9.679 -1.641 -5.128 1.00 41.21 H new ATOM 0 HD2 LYS B 86 9.546 -0.014 -7.116 1.00 62.22 H new ATOM 0 HD3 LYS B 86 11.180 -0.494 -7.532 1.00 62.22 H new ATOM 0 HE2 LYS B 86 8.841 -2.450 -7.304 1.00 50.13 H new ATOM 0 HE3 LYS B 86 9.356 -1.719 -8.812 1.00 50.13 H new ATOM 0 HZ1 LYS B 86 10.281 -3.918 -8.544 1.00 42.22 H new ATOM 0 HZ2 LYS B 86 11.525 -2.762 -8.546 1.00 42.22 H new ATOM 0 HZ3 LYS B 86 11.027 -3.471 -7.086 1.00 42.22 H new ATOM 1505 N GLU B 87 10.231 1.990 -2.069 1.00 42.53 N ATOM 1506 CA GLU B 87 10.420 3.317 -1.429 1.00 43.54 C ATOM 1507 C GLU B 87 10.740 3.205 0.068 1.00 31.21 C ATOM 1508 O GLU B 87 11.283 4.145 0.634 1.00 43.42 O ATOM 1509 CB GLU B 87 9.161 4.221 -1.601 1.00 53.35 C ATOM 1510 CG GLU B 87 8.694 4.437 -3.049 1.00 71.02 C ATOM 1511 CD GLU B 87 9.829 4.863 -3.995 1.00 11.34 C ATOM 1512 OE1 GLU B 87 10.249 6.036 -3.938 1.00 74.32 O ATOM 1513 OE2 GLU B 87 10.292 4.032 -4.813 1.00 64.15 O ATOM 0 H GLU B 87 9.251 1.738 -2.200 1.00 42.53 H new ATOM 0 HA GLU B 87 11.271 3.770 -1.938 1.00 43.54 H new ATOM 0 HB2 GLU B 87 8.340 3.782 -1.035 1.00 53.35 H new ATOM 0 HB3 GLU B 87 9.370 5.194 -1.156 1.00 53.35 H new ATOM 0 HG2 GLU B 87 8.247 3.515 -3.421 1.00 71.02 H new ATOM 0 HG3 GLU B 87 7.914 5.198 -3.062 1.00 71.02 H new ATOM 1520 N ILE B 88 10.401 2.057 0.693 1.00 52.30 N ATOM 1521 CA ILE B 88 10.549 1.844 2.158 1.00 34.33 C ATOM 1522 C ILE B 88 11.995 2.108 2.645 1.00 71.53 C ATOM 1523 O ILE B 88 12.203 2.821 3.627 1.00 62.54 O ATOM 1524 CB ILE B 88 10.130 0.383 2.562 1.00 21.34 C ATOM 1525 CG1 ILE B 88 8.662 0.110 2.128 1.00 64.42 C ATOM 1526 CG2 ILE B 88 10.325 0.123 4.084 1.00 65.44 C ATOM 1527 CD1 ILE B 88 8.186 -1.300 2.366 1.00 21.52 C ATOM 0 H ILE B 88 10.017 1.250 0.201 1.00 52.30 H new ATOM 0 HA ILE B 88 9.886 2.562 2.640 1.00 34.33 H new ATOM 0 HB ILE B 88 10.785 -0.313 2.038 1.00 21.34 H new ATOM 0 HG12 ILE B 88 8.006 0.796 2.664 1.00 64.42 H new ATOM 0 HG13 ILE B 88 8.563 0.338 1.067 1.00 64.42 H new ATOM 0 HG21 ILE B 88 10.024 -0.898 4.320 1.00 65.44 H new ATOM 0 HG22 ILE B 88 11.374 0.261 4.345 1.00 65.44 H new ATOM 0 HG23 ILE B 88 9.714 0.823 4.654 1.00 65.44 H new ATOM 0 HD11 ILE B 88 7.153 -1.396 2.033 1.00 21.52 H new ATOM 0 HD12 ILE B 88 8.813 -1.995 1.808 1.00 21.52 H new ATOM 0 HD13 ILE B 88 8.247 -1.530 3.430 1.00 21.52 H new ATOM 1539 N ARG B 89 12.957 1.531 1.915 1.00 3.43 N ATOM 1540 CA ARG B 89 14.393 1.566 2.287 1.00 11.34 C ATOM 1541 C ARG B 89 15.016 2.989 2.121 1.00 61.23 C ATOM 1542 O ARG B 89 15.667 3.449 3.060 1.00 41.13 O ATOM 1543 CB ARG B 89 15.186 0.501 1.497 1.00 72.24 C ATOM 1544 CG ARG B 89 14.696 -0.945 1.713 1.00 23.34 C ATOM 1545 CD ARG B 89 15.291 -1.914 0.689 1.00 71.00 C ATOM 1546 NE ARG B 89 14.892 -1.553 -0.682 1.00 55.32 N ATOM 1547 CZ ARG B 89 14.470 -2.399 -1.624 1.00 72.01 C ATOM 1548 NH1 ARG B 89 14.377 -3.710 -1.389 1.00 12.11 N ATOM 1549 NH2 ARG B 89 14.138 -1.926 -2.810 1.00 52.54 N ATOM 0 H ARG B 89 12.771 1.025 1.049 1.00 3.43 H new ATOM 0 HA ARG B 89 14.461 1.324 3.348 1.00 11.34 H new ATOM 0 HB2 ARG B 89 15.129 0.737 0.434 1.00 72.24 H new ATOM 0 HB3 ARG B 89 16.237 0.562 1.781 1.00 72.24 H new ATOM 0 HG2 ARG B 89 14.963 -1.271 2.718 1.00 23.34 H new ATOM 0 HG3 ARG B 89 13.608 -0.972 1.648 1.00 23.34 H new ATOM 0 HD2 ARG B 89 16.378 -1.908 0.768 1.00 71.00 H new ATOM 0 HD3 ARG B 89 14.961 -2.929 0.911 1.00 71.00 H new ATOM 0 HE ARG B 89 14.943 -0.566 -0.935 1.00 55.32 H new ATOM 0 HH11 ARG B 89 14.631 -4.083 -0.474 1.00 12.11 H new ATOM 0 HH12 ARG B 89 14.052 -4.338 -2.124 1.00 12.11 H new ATOM 0 HH21 ARG B 89 14.206 -0.926 -2.997 1.00 52.54 H new ATOM 0 HH22 ARG B 89 13.814 -2.561 -3.540 1.00 52.54 H new ATOM 1563 N PRO B 90 14.874 3.709 0.933 1.00 13.13 N ATOM 1564 CA PRO B 90 15.360 5.110 0.805 1.00 43.41 C ATOM 1565 C PRO B 90 14.616 6.090 1.754 1.00 22.44 C ATOM 1566 O PRO B 90 15.243 7.012 2.278 1.00 72.42 O ATOM 1567 CB PRO B 90 15.154 5.449 -0.699 1.00 22.31 C ATOM 1568 CG PRO B 90 14.126 4.475 -1.185 1.00 70.11 C ATOM 1569 CD PRO B 90 14.330 3.220 -0.370 1.00 53.12 C ATOM 0 HA PRO B 90 16.403 5.213 1.105 1.00 43.41 H new ATOM 0 HB2 PRO B 90 14.814 6.477 -0.828 1.00 22.31 H new ATOM 0 HB3 PRO B 90 16.085 5.349 -1.256 1.00 22.31 H new ATOM 0 HG2 PRO B 90 13.119 4.870 -1.050 1.00 70.11 H new ATOM 0 HG3 PRO B 90 14.250 4.274 -2.249 1.00 70.11 H new ATOM 0 HD2 PRO B 90 13.394 2.679 -0.232 1.00 53.12 H new ATOM 0 HD3 PRO B 90 15.024 2.537 -0.859 1.00 53.12 H new ATOM 1577 N THR B 91 13.295 5.865 1.983 1.00 41.53 N ATOM 1578 CA THR B 91 12.518 6.606 3.019 1.00 2.21 C ATOM 1579 C THR B 91 13.210 6.451 4.382 1.00 71.40 C ATOM 1580 O THR B 91 13.482 7.434 5.078 1.00 45.43 O ATOM 1581 CB THR B 91 11.039 6.084 3.095 1.00 35.00 C ATOM 1582 OG1 THR B 91 10.360 6.408 1.875 1.00 72.01 O ATOM 1583 CG2 THR B 91 10.237 6.655 4.278 1.00 4.03 C ATOM 0 H THR B 91 12.745 5.179 1.467 1.00 41.53 H new ATOM 0 HA THR B 91 12.485 7.661 2.746 1.00 2.21 H new ATOM 0 HB THR B 91 11.100 5.006 3.247 1.00 35.00 H new ATOM 0 HG1 THR B 91 10.522 5.703 1.213 1.00 72.01 H new ATOM 0 HG21 THR B 91 9.226 6.248 4.263 1.00 4.03 H new ATOM 0 HG22 THR B 91 10.724 6.381 5.214 1.00 4.03 H new ATOM 0 HG23 THR B 91 10.192 7.741 4.197 1.00 4.03 H new ATOM 1591 N TYR B 92 13.529 5.186 4.702 1.00 13.31 N ATOM 1592 CA TYR B 92 14.237 4.796 5.926 1.00 43.33 C ATOM 1593 C TYR B 92 15.639 5.443 6.010 1.00 35.30 C ATOM 1594 O TYR B 92 16.142 5.705 7.111 1.00 55.43 O ATOM 1595 CB TYR B 92 14.329 3.247 5.997 1.00 14.30 C ATOM 1596 CG TYR B 92 14.949 2.715 7.286 1.00 60.33 C ATOM 1597 CD1 TYR B 92 14.314 2.927 8.501 1.00 74.21 C ATOM 1598 CD2 TYR B 92 16.169 2.041 7.293 1.00 42.23 C ATOM 1599 CE1 TYR B 92 14.861 2.485 9.672 1.00 50.22 C ATOM 1600 CE2 TYR B 92 16.724 1.599 8.472 1.00 60.53 C ATOM 1601 CZ TYR B 92 16.066 1.827 9.657 1.00 53.42 C ATOM 1602 OH TYR B 92 16.625 1.398 10.836 1.00 1.13 O ATOM 0 H TYR B 92 13.296 4.393 4.104 1.00 13.31 H new ATOM 0 HA TYR B 92 13.673 5.162 6.784 1.00 43.33 H new ATOM 0 HB2 TYR B 92 13.328 2.830 5.889 1.00 14.30 H new ATOM 0 HB3 TYR B 92 14.916 2.890 5.151 1.00 14.30 H new ATOM 0 HD1 TYR B 92 13.370 3.451 8.521 1.00 74.21 H new ATOM 0 HD2 TYR B 92 16.685 1.863 6.361 1.00 42.23 H new ATOM 0 HE1 TYR B 92 14.347 2.653 10.607 1.00 50.22 H new ATOM 0 HE2 TYR B 92 17.669 1.077 8.466 1.00 60.53 H new ATOM 0 HH TYR B 92 17.477 0.950 10.650 1.00 1.13 H new ATOM 1612 N ALA B 93 16.244 5.710 4.840 1.00 33.22 N ATOM 1613 CA ALA B 93 17.571 6.353 4.728 1.00 72.13 C ATOM 1614 C ALA B 93 17.470 7.899 4.745 1.00 33.21 C ATOM 1615 O ALA B 93 18.459 8.589 4.478 1.00 44.34 O ATOM 1616 CB ALA B 93 18.261 5.855 3.444 1.00 43.31 C ATOM 0 H ALA B 93 15.826 5.485 3.937 1.00 33.22 H new ATOM 0 HA ALA B 93 18.169 6.074 5.596 1.00 72.13 H new ATOM 0 HB1 ALA B 93 19.241 6.324 3.352 1.00 43.31 H new ATOM 0 HB2 ALA B 93 18.380 4.772 3.491 1.00 43.31 H new ATOM 0 HB3 ALA B 93 17.652 6.116 2.579 1.00 43.31 H new ATOM 1622 N GLY B 94 16.275 8.434 5.067 1.00 2.20 N ATOM 1623 CA GLY B 94 16.060 9.884 5.183 1.00 33.13 C ATOM 1624 C GLY B 94 15.916 10.622 3.852 1.00 55.24 C ATOM 1625 O GLY B 94 15.956 11.859 3.833 1.00 21.01 O ATOM 0 H GLY B 94 15.441 7.876 5.252 1.00 2.20 H new ATOM 0 HA2 GLY B 94 15.162 10.057 5.777 1.00 33.13 H new ATOM 0 HA3 GLY B 94 16.895 10.317 5.734 1.00 33.13 H new ATOM 1629 N SER B 95 15.753 9.872 2.745 1.00 11.51 N ATOM 1630 CA SER B 95 15.519 10.447 1.403 1.00 10.43 C ATOM 1631 C SER B 95 14.066 10.942 1.277 1.00 51.51 C ATOM 1632 O SER B 95 13.132 10.128 1.228 1.00 51.40 O ATOM 1633 CB SER B 95 15.834 9.389 0.321 1.00 23.34 C ATOM 1634 OG SER B 95 17.112 8.818 0.528 1.00 71.42 O ATOM 0 H SER B 95 15.779 8.852 2.754 1.00 11.51 H new ATOM 0 HA SER B 95 16.180 11.302 1.260 1.00 10.43 H new ATOM 0 HB2 SER B 95 15.075 8.607 0.340 1.00 23.34 H new ATOM 0 HB3 SER B 95 15.793 9.850 -0.666 1.00 23.34 H new ATOM 0 HG SER B 95 17.032 8.045 1.125 1.00 71.42 H new ATOM 1640 N LYS B 96 13.902 12.283 1.299 1.00 55.32 N ATOM 1641 CA LYS B 96 12.590 12.965 1.206 1.00 21.11 C ATOM 1642 C LYS B 96 11.743 12.474 0.025 1.00 42.23 C ATOM 1643 O LYS B 96 10.573 12.161 0.206 1.00 65.03 O ATOM 1644 CB LYS B 96 12.793 14.497 1.091 1.00 51.22 C ATOM 1645 CG LYS B 96 11.495 15.335 0.887 1.00 5.43 C ATOM 1646 CD LYS B 96 11.774 16.830 0.602 1.00 42.55 C ATOM 1647 CE LYS B 96 12.611 17.037 -0.680 1.00 24.14 C ATOM 1648 NZ LYS B 96 12.008 16.360 -1.861 1.00 63.35 N ATOM 0 H LYS B 96 14.685 12.931 1.383 1.00 55.32 H new ATOM 0 HA LYS B 96 12.047 12.722 2.119 1.00 21.11 H new ATOM 0 HB2 LYS B 96 13.292 14.848 1.994 1.00 51.22 H new ATOM 0 HB3 LYS B 96 13.466 14.695 0.257 1.00 51.22 H new ATOM 0 HG2 LYS B 96 10.925 14.914 0.059 1.00 5.43 H new ATOM 0 HG3 LYS B 96 10.872 15.251 1.778 1.00 5.43 H new ATOM 0 HD2 LYS B 96 10.827 17.362 0.505 1.00 42.55 H new ATOM 0 HD3 LYS B 96 12.300 17.267 1.451 1.00 42.55 H new ATOM 0 HE2 LYS B 96 12.704 18.104 -0.883 1.00 24.14 H new ATOM 0 HE3 LYS B 96 13.619 16.654 -0.519 1.00 24.14 H new ATOM 0 HZ1 LYS B 96 12.132 16.957 -2.704 1.00 63.35 H new ATOM 0 HZ2 LYS B 96 12.477 15.444 -2.013 1.00 63.35 H new ATOM 0 HZ3 LYS B 96 10.993 16.206 -1.692 1.00 63.35 H new ATOM 1662 N SER B 97 12.360 12.430 -1.177 1.00 71.21 N ATOM 1663 CA SER B 97 11.668 12.085 -2.437 1.00 43.42 C ATOM 1664 C SER B 97 10.991 10.697 -2.367 1.00 51.31 C ATOM 1665 O SER B 97 9.890 10.512 -2.889 1.00 24.45 O ATOM 1666 CB SER B 97 12.668 12.148 -3.611 1.00 12.43 C ATOM 1667 OG SER B 97 13.253 13.439 -3.714 1.00 3.22 O ATOM 0 H SER B 97 13.352 12.633 -1.300 1.00 71.21 H new ATOM 0 HA SER B 97 10.874 12.815 -2.597 1.00 43.42 H new ATOM 0 HB2 SER B 97 13.449 11.401 -3.468 1.00 12.43 H new ATOM 0 HB3 SER B 97 12.157 11.901 -4.542 1.00 12.43 H new ATOM 0 HG SER B 97 13.884 13.453 -4.464 1.00 3.22 H new ATOM 1673 N ALA B 98 11.677 9.735 -1.715 1.00 12.52 N ATOM 1674 CA ALA B 98 11.143 8.384 -1.461 1.00 61.52 C ATOM 1675 C ALA B 98 9.860 8.429 -0.635 1.00 5.34 C ATOM 1676 O ALA B 98 8.844 7.869 -1.034 1.00 0.11 O ATOM 1677 CB ALA B 98 12.189 7.542 -0.738 1.00 54.21 C ATOM 0 H ALA B 98 12.619 9.876 -1.350 1.00 12.52 H new ATOM 0 HA ALA B 98 10.906 7.934 -2.425 1.00 61.52 H new ATOM 0 HB1 ALA B 98 11.789 6.545 -0.553 1.00 54.21 H new ATOM 0 HB2 ALA B 98 13.084 7.465 -1.355 1.00 54.21 H new ATOM 0 HB3 ALA B 98 12.442 8.013 0.212 1.00 54.21 H new ATOM 1683 N MET B 99 9.952 9.126 0.514 1.00 44.42 N ATOM 1684 CA MET B 99 8.842 9.325 1.472 1.00 72.51 C ATOM 1685 C MET B 99 7.688 10.120 0.839 1.00 51.21 C ATOM 1686 O MET B 99 6.518 9.900 1.157 1.00 73.33 O ATOM 1687 CB MET B 99 9.416 10.036 2.733 1.00 4.41 C ATOM 1688 CG MET B 99 8.400 10.588 3.758 1.00 34.21 C ATOM 1689 SD MET B 99 7.696 12.181 3.276 1.00 70.51 S ATOM 1690 CE MET B 99 9.169 13.203 3.182 1.00 22.43 C ATOM 0 H MET B 99 10.818 9.577 0.810 1.00 44.42 H new ATOM 0 HA MET B 99 8.419 8.362 1.758 1.00 72.51 H new ATOM 0 HB2 MET B 99 10.068 9.332 3.250 1.00 4.41 H new ATOM 0 HB3 MET B 99 10.042 10.864 2.398 1.00 4.41 H new ATOM 0 HG2 MET B 99 7.594 9.866 3.886 1.00 34.21 H new ATOM 0 HG3 MET B 99 8.891 10.693 4.726 1.00 34.21 H new ATOM 0 HE1 MET B 99 8.976 14.165 3.658 1.00 22.43 H new ATOM 0 HE2 MET B 99 9.992 12.704 3.694 1.00 22.43 H new ATOM 0 HE3 MET B 99 9.435 13.362 2.137 1.00 22.43 H new ATOM 1700 N GLU B 100 8.050 11.010 -0.083 1.00 41.03 N ATOM 1701 CA GLU B 100 7.121 11.900 -0.791 1.00 20.02 C ATOM 1702 C GLU B 100 6.290 11.075 -1.807 1.00 72.15 C ATOM 1703 O GLU B 100 5.076 11.269 -1.958 1.00 23.11 O ATOM 1704 CB GLU B 100 7.969 13.004 -1.482 1.00 42.20 C ATOM 1705 CG GLU B 100 7.230 14.294 -1.859 1.00 42.10 C ATOM 1706 CD GLU B 100 8.171 15.374 -2.439 1.00 54.33 C ATOM 1707 OE1 GLU B 100 9.162 15.735 -1.768 1.00 3.10 O ATOM 1708 OE2 GLU B 100 7.941 15.858 -3.573 1.00 54.20 O ATOM 0 H GLU B 100 9.021 11.138 -0.368 1.00 41.03 H new ATOM 0 HA GLU B 100 6.413 12.372 -0.110 1.00 20.02 H new ATOM 0 HB2 GLU B 100 8.796 13.264 -0.821 1.00 42.20 H new ATOM 0 HB3 GLU B 100 8.406 12.583 -2.388 1.00 42.20 H new ATOM 0 HG2 GLU B 100 6.455 14.063 -2.590 1.00 42.10 H new ATOM 0 HG3 GLU B 100 6.728 14.691 -0.977 1.00 42.10 H new ATOM 1715 N ARG B 101 6.983 10.113 -2.448 1.00 23.52 N ATOM 1716 CA ARG B 101 6.385 9.168 -3.416 1.00 44.34 C ATOM 1717 C ARG B 101 5.628 8.047 -2.669 1.00 70.42 C ATOM 1718 O ARG B 101 4.646 7.497 -3.181 1.00 14.23 O ATOM 1719 CB ARG B 101 7.473 8.558 -4.349 1.00 63.41 C ATOM 1720 CG ARG B 101 6.897 7.696 -5.497 1.00 61.21 C ATOM 1721 CD ARG B 101 7.962 7.008 -6.363 1.00 33.30 C ATOM 1722 NE ARG B 101 7.344 6.214 -7.437 1.00 0.43 N ATOM 1723 CZ ARG B 101 7.622 4.934 -7.742 1.00 33.33 C ATOM 1724 NH1 ARG B 101 8.527 4.236 -7.072 1.00 71.33 N ATOM 1725 NH2 ARG B 101 6.976 4.358 -8.731 1.00 24.23 N ATOM 0 H ARG B 101 7.983 9.968 -2.308 1.00 23.52 H new ATOM 0 HA ARG B 101 5.679 9.719 -4.037 1.00 44.34 H new ATOM 0 HB2 ARG B 101 8.067 9.366 -4.776 1.00 63.41 H new ATOM 0 HB3 ARG B 101 8.150 7.947 -3.752 1.00 63.41 H new ATOM 0 HG2 ARG B 101 6.243 6.935 -5.072 1.00 61.21 H new ATOM 0 HG3 ARG B 101 6.278 8.327 -6.135 1.00 61.21 H new ATOM 0 HD2 ARG B 101 8.622 7.759 -6.797 1.00 33.30 H new ATOM 0 HD3 ARG B 101 8.580 6.362 -5.739 1.00 33.30 H new ATOM 0 HE ARG B 101 6.636 6.680 -8.005 1.00 0.43 H new ATOM 0 HH11 ARG B 101 9.035 4.668 -6.300 1.00 71.33 H new ATOM 0 HH12 ARG B 101 8.715 3.267 -7.328 1.00 71.33 H new ATOM 0 HH21 ARG B 101 6.275 4.881 -9.255 1.00 24.23 H new ATOM 0 HH22 ARG B 101 7.176 3.388 -8.974 1.00 24.23 H new ATOM 1739 N LEU B 102 6.091 7.745 -1.443 1.00 45.44 N ATOM 1740 CA LEU B 102 5.533 6.688 -0.585 1.00 23.24 C ATOM 1741 C LEU B 102 4.166 7.141 -0.035 1.00 32.13 C ATOM 1742 O LEU B 102 3.208 6.373 -0.057 1.00 25.41 O ATOM 1743 CB LEU B 102 6.545 6.370 0.553 1.00 44.14 C ATOM 1744 CG LEU B 102 6.184 5.224 1.550 1.00 22.14 C ATOM 1745 CD1 LEU B 102 5.929 3.894 0.834 1.00 41.12 C ATOM 1746 CD2 LEU B 102 7.281 5.066 2.623 1.00 50.11 C ATOM 0 H LEU B 102 6.875 8.237 -1.015 1.00 45.44 H new ATOM 0 HA LEU B 102 5.371 5.774 -1.156 1.00 23.24 H new ATOM 0 HB2 LEU B 102 7.501 6.123 0.091 1.00 44.14 H new ATOM 0 HB3 LEU B 102 6.696 7.282 1.131 1.00 44.14 H new ATOM 0 HG LEU B 102 5.254 5.508 2.042 1.00 22.14 H new ATOM 0 HD11 LEU B 102 5.682 3.127 1.568 1.00 41.12 H new ATOM 0 HD12 LEU B 102 5.100 4.010 0.136 1.00 41.12 H new ATOM 0 HD13 LEU B 102 6.824 3.598 0.287 1.00 41.12 H new ATOM 0 HD21 LEU B 102 7.008 4.262 3.307 1.00 50.11 H new ATOM 0 HD22 LEU B 102 8.229 4.827 2.141 1.00 50.11 H new ATOM 0 HD23 LEU B 102 7.382 5.997 3.180 1.00 50.11 H new ATOM 1758 N LYS B 103 4.099 8.413 0.431 1.00 75.50 N ATOM 1759 CA LYS B 103 2.843 9.065 0.858 1.00 44.34 C ATOM 1760 C LYS B 103 1.824 9.072 -0.275 1.00 61.24 C ATOM 1761 O LYS B 103 0.694 8.626 -0.083 1.00 11.12 O ATOM 1762 CB LYS B 103 3.100 10.513 1.328 1.00 70.02 C ATOM 1763 CG LYS B 103 3.832 10.649 2.680 1.00 1.20 C ATOM 1764 CD LYS B 103 4.167 12.126 2.991 1.00 34.11 C ATOM 1765 CE LYS B 103 2.918 13.037 3.011 1.00 62.21 C ATOM 1766 NZ LYS B 103 3.273 14.478 2.987 1.00 0.42 N ATOM 0 H LYS B 103 4.918 9.014 0.520 1.00 75.50 H new ATOM 0 HA LYS B 103 2.444 8.490 1.693 1.00 44.34 H new ATOM 0 HB2 LYS B 103 3.684 11.027 0.564 1.00 70.02 H new ATOM 0 HB3 LYS B 103 2.143 11.030 1.399 1.00 70.02 H new ATOM 0 HG2 LYS B 103 3.210 10.240 3.476 1.00 1.20 H new ATOM 0 HG3 LYS B 103 4.750 10.062 2.660 1.00 1.20 H new ATOM 0 HD2 LYS B 103 4.668 12.184 3.958 1.00 34.11 H new ATOM 0 HD3 LYS B 103 4.870 12.498 2.245 1.00 34.11 H new ATOM 0 HE2 LYS B 103 2.288 12.806 2.152 1.00 62.21 H new ATOM 0 HE3 LYS B 103 2.330 12.824 3.904 1.00 62.21 H new ATOM 0 HZ1 LYS B 103 2.404 15.050 3.002 1.00 0.42 H new ATOM 0 HZ2 LYS B 103 3.852 14.707 3.820 1.00 0.42 H new ATOM 0 HZ3 LYS B 103 3.812 14.689 2.123 1.00 0.42 H new ATOM 1780 N ARG B 104 2.257 9.568 -1.458 1.00 75.05 N ATOM 1781 CA ARG B 104 1.411 9.632 -2.661 1.00 4.41 C ATOM 1782 C ARG B 104 0.925 8.226 -3.037 1.00 30.00 C ATOM 1783 O ARG B 104 -0.207 8.059 -3.500 1.00 23.24 O ATOM 1784 CB ARG B 104 2.178 10.254 -3.857 1.00 74.22 C ATOM 1785 CG ARG B 104 1.336 10.351 -5.150 1.00 52.25 C ATOM 1786 CD ARG B 104 2.096 10.908 -6.359 1.00 34.32 C ATOM 1787 NE ARG B 104 1.239 10.874 -7.551 1.00 32.11 N ATOM 1788 CZ ARG B 104 1.461 11.518 -8.697 1.00 75.30 C ATOM 1789 NH1 ARG B 104 2.527 12.286 -8.872 1.00 61.15 N ATOM 1790 NH2 ARG B 104 0.587 11.397 -9.676 1.00 1.25 N ATOM 0 H ARG B 104 3.199 9.932 -1.599 1.00 75.05 H new ATOM 0 HA ARG B 104 0.555 10.268 -2.435 1.00 4.41 H new ATOM 0 HB2 ARG B 104 2.519 11.252 -3.580 1.00 74.22 H new ATOM 0 HB3 ARG B 104 3.068 9.657 -4.057 1.00 74.22 H new ATOM 0 HG2 ARG B 104 0.958 9.359 -5.399 1.00 52.25 H new ATOM 0 HG3 ARG B 104 0.469 10.983 -4.958 1.00 52.25 H new ATOM 0 HD2 ARG B 104 2.414 11.931 -6.159 1.00 34.32 H new ATOM 0 HD3 ARG B 104 2.998 10.322 -6.533 1.00 34.32 H new ATOM 0 HE ARG B 104 0.395 10.304 -7.497 1.00 32.11 H new ATOM 0 HH11 ARG B 104 3.205 12.397 -8.118 1.00 61.15 H new ATOM 0 HH12 ARG B 104 2.669 12.766 -9.761 1.00 61.15 H new ATOM 0 HH21 ARG B 104 -0.243 10.818 -9.550 1.00 1.25 H new ATOM 0 HH22 ARG B 104 0.741 11.883 -10.560 1.00 1.25 H new ATOM 1804 N GLY B 105 1.817 7.236 -2.819 1.00 63.23 N ATOM 1805 CA GLY B 105 1.514 5.839 -3.034 1.00 10.41 C ATOM 1806 C GLY B 105 0.316 5.380 -2.229 1.00 22.22 C ATOM 1807 O GLY B 105 -0.622 4.845 -2.806 1.00 35.45 O ATOM 0 H GLY B 105 2.767 7.403 -2.487 1.00 63.23 H new ATOM 0 HA2 GLY B 105 1.323 5.670 -4.094 1.00 10.41 H new ATOM 0 HA3 GLY B 105 2.382 5.236 -2.766 1.00 10.41 H new ATOM 1811 N ILE B 106 0.339 5.634 -0.900 1.00 24.52 N ATOM 1812 CA ILE B 106 -0.753 5.246 0.016 1.00 32.14 C ATOM 1813 C ILE B 106 -2.071 6.012 -0.302 1.00 2.14 C ATOM 1814 O ILE B 106 -3.143 5.404 -0.310 1.00 3.01 O ATOM 1815 CB ILE B 106 -0.347 5.402 1.549 1.00 0.31 C ATOM 1816 CG1 ILE B 106 0.495 4.168 2.058 1.00 34.34 C ATOM 1817 CG2 ILE B 106 -1.577 5.632 2.480 1.00 73.15 C ATOM 1818 CD1 ILE B 106 1.931 4.078 1.593 1.00 64.42 C ATOM 0 H ILE B 106 1.112 6.111 -0.437 1.00 24.52 H new ATOM 0 HA ILE B 106 -0.937 4.185 -0.155 1.00 32.14 H new ATOM 0 HB ILE B 106 0.275 6.296 1.601 1.00 0.31 H new ATOM 0 HG12 ILE B 106 0.492 4.182 3.148 1.00 34.34 H new ATOM 0 HG13 ILE B 106 -0.019 3.257 1.750 1.00 34.34 H new ATOM 0 HG21 ILE B 106 -1.239 5.731 3.512 1.00 73.15 H new ATOM 0 HG22 ILE B 106 -2.096 6.542 2.179 1.00 73.15 H new ATOM 0 HG23 ILE B 106 -2.257 4.784 2.401 1.00 73.15 H new ATOM 0 HD11 ILE B 106 2.395 3.186 2.014 1.00 64.42 H new ATOM 0 HD12 ILE B 106 1.958 4.022 0.505 1.00 64.42 H new ATOM 0 HD13 ILE B 106 2.477 4.961 1.925 1.00 64.42 H new ATOM 1830 N ILE B 107 -1.985 7.333 -0.577 1.00 73.53 N ATOM 1831 CA ILE B 107 -3.182 8.172 -0.880 1.00 72.11 C ATOM 1832 C ILE B 107 -3.912 7.610 -2.123 1.00 33.11 C ATOM 1833 O ILE B 107 -5.137 7.404 -2.123 1.00 72.44 O ATOM 1834 CB ILE B 107 -2.796 9.683 -1.140 1.00 35.33 C ATOM 1835 CG1 ILE B 107 -1.993 10.278 0.060 1.00 14.00 C ATOM 1836 CG2 ILE B 107 -4.057 10.540 -1.426 1.00 31.52 C ATOM 1837 CD1 ILE B 107 -1.425 11.673 -0.179 1.00 2.21 C ATOM 0 H ILE B 107 -1.104 7.847 -0.597 1.00 73.53 H new ATOM 0 HA ILE B 107 -3.836 8.137 -0.009 1.00 72.11 H new ATOM 0 HB ILE B 107 -2.156 9.709 -2.022 1.00 35.33 H new ATOM 0 HG12 ILE B 107 -2.644 10.311 0.934 1.00 14.00 H new ATOM 0 HG13 ILE B 107 -1.172 9.603 0.300 1.00 14.00 H new ATOM 0 HG21 ILE B 107 -3.762 11.575 -1.601 1.00 31.52 H new ATOM 0 HG22 ILE B 107 -4.567 10.154 -2.309 1.00 31.52 H new ATOM 0 HG23 ILE B 107 -4.730 10.495 -0.570 1.00 31.52 H new ATOM 0 HD11 ILE B 107 -0.884 12.003 0.708 1.00 2.21 H new ATOM 0 HD12 ILE B 107 -0.745 11.648 -1.030 1.00 2.21 H new ATOM 0 HD13 ILE B 107 -2.240 12.367 -0.386 1.00 2.21 H new ATOM 1849 N HIS B 108 -3.097 7.339 -3.150 1.00 20.13 N ATOM 1850 CA HIS B 108 -3.535 6.778 -4.431 1.00 21.41 C ATOM 1851 C HIS B 108 -4.044 5.337 -4.259 1.00 73.12 C ATOM 1852 O HIS B 108 -5.068 4.977 -4.830 1.00 31.32 O ATOM 1853 CB HIS B 108 -2.361 6.824 -5.442 1.00 12.44 C ATOM 1854 CG HIS B 108 -2.675 6.269 -6.805 1.00 13.52 C ATOM 1855 ND1 HIS B 108 -1.847 5.392 -7.461 1.00 44.25 N ATOM 1856 CD2 HIS B 108 -3.707 6.506 -7.647 1.00 42.54 C ATOM 1857 CE1 HIS B 108 -2.353 5.112 -8.639 1.00 43.54 C ATOM 1858 NE2 HIS B 108 -3.482 5.769 -8.772 1.00 44.43 N ATOM 0 H HIS B 108 -2.092 7.508 -3.111 1.00 20.13 H new ATOM 0 HA HIS B 108 -4.363 7.376 -4.812 1.00 21.41 H new ATOM 0 HB2 HIS B 108 -2.037 7.859 -5.553 1.00 12.44 H new ATOM 0 HB3 HIS B 108 -1.520 6.270 -5.025 1.00 12.44 H new ATOM 0 HD2 HIS B 108 -4.550 7.156 -7.463 1.00 42.54 H new ATOM 0 HE1 HIS B 108 -1.915 4.453 -9.374 1.00 43.54 H new ATOM 0 HE2 HIS B 108 -4.094 5.734 -9.587 1.00 44.43 H new ATOM 1867 N ALA B 109 -3.329 4.541 -3.449 1.00 22.21 N ATOM 1868 CA ALA B 109 -3.629 3.114 -3.246 1.00 43.34 C ATOM 1869 C ALA B 109 -4.986 2.931 -2.553 1.00 11.54 C ATOM 1870 O ALA B 109 -5.764 2.064 -2.937 1.00 55.40 O ATOM 1871 CB ALA B 109 -2.505 2.435 -2.448 1.00 75.12 C ATOM 0 H ALA B 109 -2.524 4.869 -2.915 1.00 22.21 H new ATOM 0 HA ALA B 109 -3.689 2.635 -4.223 1.00 43.34 H new ATOM 0 HB1 ALA B 109 -2.744 1.381 -2.308 1.00 75.12 H new ATOM 0 HB2 ALA B 109 -1.566 2.525 -2.994 1.00 75.12 H new ATOM 0 HB3 ALA B 109 -2.407 2.917 -1.475 1.00 75.12 H new ATOM 1877 N ARG B 110 -5.267 3.804 -1.566 1.00 75.33 N ATOM 1878 CA ARG B 110 -6.538 3.815 -0.813 1.00 4.34 C ATOM 1879 C ARG B 110 -7.695 4.257 -1.725 1.00 33.20 C ATOM 1880 O ARG B 110 -8.842 3.841 -1.534 1.00 52.14 O ATOM 1881 CB ARG B 110 -6.397 4.734 0.441 1.00 20.23 C ATOM 1882 CG ARG B 110 -7.691 4.921 1.310 1.00 11.30 C ATOM 1883 CD ARG B 110 -8.368 6.289 1.103 1.00 23.41 C ATOM 1884 NE ARG B 110 -7.479 7.388 1.528 1.00 4.11 N ATOM 1885 CZ ARG B 110 -7.454 8.618 0.995 1.00 10.13 C ATOM 1886 NH1 ARG B 110 -8.275 8.962 0.008 1.00 22.43 N ATOM 1887 NH2 ARG B 110 -6.592 9.506 1.460 1.00 40.24 N ATOM 0 H ARG B 110 -4.613 4.527 -1.266 1.00 75.33 H new ATOM 0 HA ARG B 110 -6.768 2.808 -0.466 1.00 4.34 H new ATOM 0 HB2 ARG B 110 -5.612 4.327 1.078 1.00 20.23 H new ATOM 0 HB3 ARG B 110 -6.061 5.717 0.110 1.00 20.23 H new ATOM 0 HG2 ARG B 110 -8.401 4.131 1.067 1.00 11.30 H new ATOM 0 HG3 ARG B 110 -7.434 4.806 2.363 1.00 11.30 H new ATOM 0 HD2 ARG B 110 -8.630 6.414 0.052 1.00 23.41 H new ATOM 0 HD3 ARG B 110 -9.298 6.328 1.670 1.00 23.41 H new ATOM 0 HE ARG B 110 -6.830 7.196 2.291 1.00 4.11 H new ATOM 0 HH11 ARG B 110 -8.943 8.284 -0.360 1.00 22.43 H new ATOM 0 HH12 ARG B 110 -8.238 9.904 -0.382 1.00 22.43 H new ATOM 0 HH21 ARG B 110 -5.956 9.252 2.216 1.00 40.24 H new ATOM 0 HH22 ARG B 110 -6.563 10.445 1.063 1.00 40.24 H new ATOM 1901 N ALA B 111 -7.362 5.079 -2.742 1.00 54.41 N ATOM 1902 CA ALA B 111 -8.323 5.518 -3.755 1.00 24.15 C ATOM 1903 C ALA B 111 -8.678 4.333 -4.664 1.00 13.23 C ATOM 1904 O ALA B 111 -9.851 4.094 -4.918 1.00 71.33 O ATOM 1905 CB ALA B 111 -7.765 6.696 -4.571 1.00 54.25 C ATOM 0 H ALA B 111 -6.422 5.451 -2.877 1.00 54.41 H new ATOM 0 HA ALA B 111 -9.228 5.869 -3.260 1.00 24.15 H new ATOM 0 HB1 ALA B 111 -8.499 7.002 -5.316 1.00 54.25 H new ATOM 0 HB2 ALA B 111 -7.554 7.532 -3.905 1.00 54.25 H new ATOM 0 HB3 ALA B 111 -6.846 6.389 -5.071 1.00 54.25 H new ATOM 1911 N LEU B 112 -7.639 3.561 -5.075 1.00 32.01 N ATOM 1912 CA LEU B 112 -7.777 2.407 -6.000 1.00 73.41 C ATOM 1913 C LEU B 112 -8.644 1.289 -5.383 1.00 40.15 C ATOM 1914 O LEU B 112 -9.493 0.710 -6.074 1.00 5.43 O ATOM 1915 CB LEU B 112 -6.375 1.848 -6.385 1.00 3.23 C ATOM 1916 CG LEU B 112 -5.430 2.844 -7.127 1.00 62.53 C ATOM 1917 CD1 LEU B 112 -4.018 2.266 -7.296 1.00 30.12 C ATOM 1918 CD2 LEU B 112 -6.010 3.278 -8.483 1.00 24.52 C ATOM 0 H LEU B 112 -6.678 3.723 -4.773 1.00 32.01 H new ATOM 0 HA LEU B 112 -8.278 2.763 -6.900 1.00 73.41 H new ATOM 0 HB2 LEU B 112 -5.876 1.511 -5.476 1.00 3.23 H new ATOM 0 HB3 LEU B 112 -6.515 0.970 -7.016 1.00 3.23 H new ATOM 0 HG LEU B 112 -5.354 3.732 -6.500 1.00 62.53 H new ATOM 0 HD11 LEU B 112 -3.389 2.988 -7.817 1.00 30.12 H new ATOM 0 HD12 LEU B 112 -3.592 2.054 -6.315 1.00 30.12 H new ATOM 0 HD13 LEU B 112 -4.069 1.345 -7.876 1.00 30.12 H new ATOM 0 HD21 LEU B 112 -5.322 3.971 -8.968 1.00 24.52 H new ATOM 0 HD22 LEU B 112 -6.149 2.402 -9.116 1.00 24.52 H new ATOM 0 HD23 LEU B 112 -6.971 3.769 -8.327 1.00 24.52 H new ATOM 1930 N VAL B 113 -8.410 0.998 -4.078 1.00 13.41 N ATOM 1931 CA VAL B 113 -9.216 0.023 -3.307 1.00 15.23 C ATOM 1932 C VAL B 113 -10.682 0.493 -3.246 1.00 14.02 C ATOM 1933 O VAL B 113 -11.610 -0.300 -3.416 1.00 4.31 O ATOM 1934 CB VAL B 113 -8.684 -0.179 -1.829 1.00 61.04 C ATOM 1935 CG1 VAL B 113 -9.493 -1.274 -1.083 1.00 64.13 C ATOM 1936 CG2 VAL B 113 -7.175 -0.501 -1.801 1.00 2.43 C ATOM 0 H VAL B 113 -7.662 1.430 -3.536 1.00 13.41 H new ATOM 0 HA VAL B 113 -9.134 -0.933 -3.824 1.00 15.23 H new ATOM 0 HB VAL B 113 -8.829 0.767 -1.307 1.00 61.04 H new ATOM 0 HG11 VAL B 113 -9.103 -1.389 -0.072 1.00 64.13 H new ATOM 0 HG12 VAL B 113 -10.542 -0.983 -1.037 1.00 64.13 H new ATOM 0 HG13 VAL B 113 -9.402 -2.220 -1.616 1.00 64.13 H new ATOM 0 HG21 VAL B 113 -6.850 -0.632 -0.769 1.00 2.43 H new ATOM 0 HG22 VAL B 113 -6.988 -1.418 -2.360 1.00 2.43 H new ATOM 0 HG23 VAL B 113 -6.619 0.320 -2.255 1.00 2.43 H new ATOM 1946 N ARG B 114 -10.855 1.814 -3.041 1.00 74.11 N ATOM 1947 CA ARG B 114 -12.172 2.431 -2.845 1.00 54.32 C ATOM 1948 C ARG B 114 -12.975 2.464 -4.167 1.00 24.44 C ATOM 1949 O ARG B 114 -14.199 2.297 -4.156 1.00 44.34 O ATOM 1950 CB ARG B 114 -12.021 3.864 -2.253 1.00 13.45 C ATOM 1951 CG ARG B 114 -13.326 4.445 -1.659 1.00 42.51 C ATOM 1952 CD ARG B 114 -13.774 3.693 -0.393 1.00 52.24 C ATOM 1953 NE ARG B 114 -15.082 4.135 0.106 1.00 41.13 N ATOM 1954 CZ ARG B 114 -15.510 4.015 1.380 1.00 75.12 C ATOM 1955 NH1 ARG B 114 -14.740 3.457 2.311 1.00 0.51 N ATOM 1956 NH2 ARG B 114 -16.728 4.426 1.699 1.00 54.41 N ATOM 0 H ARG B 114 -10.082 2.479 -3.008 1.00 74.11 H new ATOM 0 HA ARG B 114 -12.728 1.821 -2.133 1.00 54.32 H new ATOM 0 HB2 ARG B 114 -11.258 3.845 -1.475 1.00 13.45 H new ATOM 0 HB3 ARG B 114 -11.662 4.532 -3.036 1.00 13.45 H new ATOM 0 HG2 ARG B 114 -13.177 5.498 -1.420 1.00 42.51 H new ATOM 0 HG3 ARG B 114 -14.117 4.396 -2.407 1.00 42.51 H new ATOM 0 HD2 ARG B 114 -13.815 2.625 -0.607 1.00 52.24 H new ATOM 0 HD3 ARG B 114 -13.027 3.833 0.389 1.00 52.24 H new ATOM 0 HE ARG B 114 -15.718 4.567 -0.564 1.00 41.13 H new ATOM 0 HH11 ARG B 114 -13.812 3.113 2.066 1.00 0.51 H new ATOM 0 HH12 ARG B 114 -15.078 3.374 3.270 1.00 0.51 H new ATOM 0 HH21 ARG B 114 -17.334 4.829 0.984 1.00 54.41 H new ATOM 0 HH22 ARG B 114 -17.060 4.339 2.659 1.00 54.41 H new ATOM 1970 N GLU B 115 -12.273 2.659 -5.307 1.00 23.40 N ATOM 1971 CA GLU B 115 -12.907 2.659 -6.643 1.00 10.50 C ATOM 1972 C GLU B 115 -13.354 1.240 -6.995 1.00 2.25 C ATOM 1973 O GLU B 115 -14.426 1.031 -7.569 1.00 74.14 O ATOM 1974 CB GLU B 115 -11.938 3.207 -7.737 1.00 70.35 C ATOM 1975 CG GLU B 115 -11.444 4.655 -7.517 1.00 50.41 C ATOM 1976 CD GLU B 115 -12.557 5.723 -7.485 1.00 34.24 C ATOM 1977 OE1 GLU B 115 -13.192 5.911 -6.427 1.00 12.12 O ATOM 1978 OE2 GLU B 115 -12.781 6.403 -8.509 1.00 2.21 O ATOM 0 H GLU B 115 -11.266 2.818 -5.327 1.00 23.40 H new ATOM 0 HA GLU B 115 -13.774 3.319 -6.611 1.00 10.50 H new ATOM 0 HB2 GLU B 115 -11.071 2.549 -7.793 1.00 70.35 H new ATOM 0 HB3 GLU B 115 -12.440 3.155 -8.703 1.00 70.35 H new ATOM 0 HG2 GLU B 115 -10.893 4.697 -6.577 1.00 50.41 H new ATOM 0 HG3 GLU B 115 -10.740 4.908 -8.310 1.00 50.41 H new ATOM 1985 N CYS B 116 -12.518 0.259 -6.600 1.00 45.32 N ATOM 1986 CA CYS B 116 -12.790 -1.157 -6.829 1.00 31.53 C ATOM 1987 C CYS B 116 -13.900 -1.653 -5.890 1.00 25.02 C ATOM 1988 O CYS B 116 -14.580 -2.607 -6.218 1.00 53.01 O ATOM 1989 CB CYS B 116 -11.518 -1.990 -6.638 1.00 61.43 C ATOM 1990 SG CYS B 116 -11.697 -3.723 -7.129 1.00 12.12 S ATOM 0 H CYS B 116 -11.638 0.435 -6.114 1.00 45.32 H new ATOM 0 HA CYS B 116 -13.129 -1.276 -7.858 1.00 31.53 H new ATOM 0 HB2 CYS B 116 -10.711 -1.540 -7.216 1.00 61.43 H new ATOM 0 HB3 CYS B 116 -11.222 -1.948 -5.590 1.00 61.43 H new ATOM 0 HG CYS B 116 -12.941 -4.081 -7.012 1.00 12.12 H new ATOM 1996 N LEU B 117 -14.075 -0.992 -4.719 1.00 54.22 N ATOM 1997 CA LEU B 117 -15.183 -1.297 -3.781 1.00 70.24 C ATOM 1998 C LEU B 117 -16.555 -1.149 -4.467 1.00 15.11 C ATOM 1999 O LEU B 117 -17.470 -1.914 -4.177 1.00 60.23 O ATOM 2000 CB LEU B 117 -15.104 -0.411 -2.491 1.00 22.33 C ATOM 2001 CG LEU B 117 -14.285 -1.008 -1.302 1.00 12.05 C ATOM 2002 CD1 LEU B 117 -14.064 0.025 -0.179 1.00 25.54 C ATOM 2003 CD2 LEU B 117 -14.972 -2.278 -0.751 1.00 62.22 C ATOM 0 H LEU B 117 -13.461 -0.242 -4.401 1.00 54.22 H new ATOM 0 HA LEU B 117 -15.071 -2.337 -3.476 1.00 70.24 H new ATOM 0 HB2 LEU B 117 -14.668 0.551 -2.761 1.00 22.33 H new ATOM 0 HB3 LEU B 117 -16.119 -0.215 -2.145 1.00 22.33 H new ATOM 0 HG LEU B 117 -13.303 -1.282 -1.687 1.00 12.05 H new ATOM 0 HD11 LEU B 117 -13.491 -0.432 0.628 1.00 25.54 H new ATOM 0 HD12 LEU B 117 -13.516 0.881 -0.574 1.00 25.54 H new ATOM 0 HD13 LEU B 117 -15.029 0.357 0.205 1.00 25.54 H new ATOM 0 HD21 LEU B 117 -14.386 -2.679 0.076 1.00 62.22 H new ATOM 0 HD22 LEU B 117 -15.973 -2.027 -0.399 1.00 62.22 H new ATOM 0 HD23 LEU B 117 -15.042 -3.026 -1.541 1.00 62.22 H new