USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 632 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 19 GLN : amide:sc= -0.038 X(o=-0.038,f=-0.084) USER MOD Single : A 24 LYS NZ :NH3+ -166:sc= -0.0152 (180deg=-0.198) USER MOD Single : A 32 GLN : amide:sc= -0.0605 X(o=-0.06,f=0) USER MOD Single : A 33 SER OG : rot 89:sc= 0.924 USER MOD Single : A 34 SER OG : rot 55:sc= 0.927 USER MOD Single : A 41 ASN : amide:sc= -0.467 K(o=-0.47,f=-9.2!) USER MOD Single : A 44 ASN : amide:sc=-0.00152 K(o=-0.0015,f=-0.57) USER MOD Single : A 47 ASN : amide:sc= -0.533 K(o=-0.53,f=-3.6!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 171:sc=-0.00481 (180deg=-0.0972) USER MOD Single : A 53 GLN : amide:sc= 0.784 K(o=0.78,f=-0.016) USER MOD Single : A 58 SER OG : rot -110:sc= -0.019 USER MOD Single : A 61 TYR OH : rot 40:sc= 1.05 USER MOD Single : A 63 TYR OH : rot 180:sc= 1.5 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -150:sc= -0.861 USER MOD Single : A 71 LYS NZ :NH3+ 159:sc= -1.7! (180deg=-2.53!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 29:sc= 0.49 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -30:sc= 0.0748 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -118:sc= 1.17 (180deg=-0.0122) USER MOD ----------------------------------------------------------------- ATOM 261 N GLN A 19 15.749 8.894 3.944 1.00 13.42 N ATOM 262 CA GLN A 19 14.414 9.199 4.475 1.00 12.22 C ATOM 263 C GLN A 19 13.969 8.152 5.513 1.00 52.02 C ATOM 264 O GLN A 19 14.267 6.962 5.382 1.00 74.15 O ATOM 265 CB GLN A 19 13.393 9.272 3.329 1.00 72.14 C ATOM 266 CG GLN A 19 13.642 10.413 2.345 1.00 40.14 C ATOM 267 CD GLN A 19 13.454 11.783 2.972 1.00 63.53 C ATOM 268 OE1 GLN A 19 14.388 12.373 3.506 1.00 21.20 O ATOM 269 NE2 GLN A 19 12.247 12.301 2.915 1.00 70.30 N ATOM 0 HA GLN A 19 14.465 10.167 4.974 1.00 12.22 H new ATOM 0 HB2 GLN A 19 13.405 8.328 2.785 1.00 72.14 H new ATOM 0 HB3 GLN A 19 12.395 9.383 3.752 1.00 72.14 H new ATOM 0 HG2 GLN A 19 14.656 10.334 1.953 1.00 40.14 H new ATOM 0 HG3 GLN A 19 12.964 10.310 1.498 1.00 40.14 H new ATOM 0 HE21 GLN A 19 11.491 11.785 2.464 1.00 70.30 H new ATOM 0 HE22 GLN A 19 12.066 13.219 3.322 1.00 70.30 H new ATOM 278 N ALA A 20 13.262 8.611 6.546 1.00 24.24 N ATOM 279 CA ALA A 20 12.750 7.730 7.603 1.00 52.33 C ATOM 280 C ALA A 20 11.286 7.330 7.349 1.00 5.22 C ATOM 281 O ALA A 20 10.530 8.067 6.712 1.00 4.45 O ATOM 282 CB ALA A 20 12.886 8.413 8.962 1.00 0.33 C ATOM 0 H ALA A 20 13.028 9.595 6.676 1.00 24.24 H new ATOM 0 HA ALA A 20 13.346 6.817 7.597 1.00 52.33 H new ATOM 0 HB1 ALA A 20 12.504 7.753 9.741 1.00 0.33 H new ATOM 0 HB2 ALA A 20 13.936 8.633 9.155 1.00 0.33 H new ATOM 0 HB3 ALA A 20 12.315 9.342 8.961 1.00 0.33 H new ATOM 288 N PHE A 21 10.897 6.159 7.852 1.00 24.13 N ATOM 289 CA PHE A 21 9.530 5.645 7.672 1.00 65.03 C ATOM 290 C PHE A 21 8.652 5.881 8.915 1.00 32.53 C ATOM 291 O PHE A 21 8.925 5.335 9.986 1.00 35.14 O ATOM 292 CB PHE A 21 9.563 4.137 7.377 1.00 41.13 C ATOM 293 CG PHE A 21 10.099 3.774 6.015 1.00 53.52 C ATOM 294 CD1 PHE A 21 9.347 4.014 4.874 1.00 24.33 C ATOM 295 CD2 PHE A 21 11.348 3.190 5.877 1.00 71.14 C ATOM 296 CE1 PHE A 21 9.829 3.672 3.626 1.00 51.25 C ATOM 297 CE2 PHE A 21 11.834 2.851 4.633 1.00 13.53 C ATOM 298 CZ PHE A 21 11.075 3.091 3.505 1.00 54.14 C ATOM 0 H PHE A 21 11.507 5.543 8.389 1.00 24.13 H new ATOM 0 HA PHE A 21 9.097 6.190 6.833 1.00 65.03 H new ATOM 0 HB2 PHE A 21 10.172 3.645 8.135 1.00 41.13 H new ATOM 0 HB3 PHE A 21 8.553 3.739 7.473 1.00 41.13 H new ATOM 0 HD1 PHE A 21 8.374 4.473 4.963 1.00 24.33 H new ATOM 0 HD2 PHE A 21 11.947 2.998 6.755 1.00 71.14 H new ATOM 0 HE1 PHE A 21 9.232 3.859 2.746 1.00 51.25 H new ATOM 0 HE2 PHE A 21 12.810 2.397 4.540 1.00 13.53 H new ATOM 0 HZ PHE A 21 11.456 2.825 2.530 1.00 54.14 H new ATOM 308 N PRO A 22 7.590 6.705 8.804 1.00 13.54 N ATOM 309 CA PRO A 22 6.553 6.772 9.832 1.00 32.45 C ATOM 310 C PRO A 22 5.455 5.724 9.576 1.00 20.31 C ATOM 311 O PRO A 22 4.539 5.942 8.779 1.00 64.32 O ATOM 312 CB PRO A 22 6.016 8.197 9.667 1.00 1.41 C ATOM 313 CG PRO A 22 6.183 8.504 8.207 1.00 11.25 C ATOM 314 CD PRO A 22 7.332 7.651 7.701 1.00 63.23 C ATOM 0 HA PRO A 22 6.918 6.562 10.838 1.00 32.45 H new ATOM 0 HB2 PRO A 22 4.970 8.263 9.968 1.00 1.41 H new ATOM 0 HB3 PRO A 22 6.571 8.903 10.285 1.00 1.41 H new ATOM 0 HG2 PRO A 22 5.267 8.281 7.659 1.00 11.25 H new ATOM 0 HG3 PRO A 22 6.394 9.563 8.058 1.00 11.25 H new ATOM 0 HD2 PRO A 22 7.066 7.129 6.782 1.00 63.23 H new ATOM 0 HD3 PRO A 22 8.211 8.256 7.481 1.00 63.23 H new ATOM 322 N ARG A 23 5.539 4.582 10.261 1.00 74.20 N ATOM 323 CA ARG A 23 4.668 3.443 9.945 1.00 44.14 C ATOM 324 C ARG A 23 3.295 3.540 10.623 1.00 4.34 C ATOM 325 O ARG A 23 2.335 2.946 10.146 1.00 24.25 O ATOM 326 CB ARG A 23 5.356 2.103 10.269 1.00 24.15 C ATOM 327 CG ARG A 23 5.698 1.883 11.741 1.00 32.44 C ATOM 328 CD ARG A 23 6.391 0.534 11.946 1.00 22.25 C ATOM 329 NE ARG A 23 6.732 0.285 13.345 1.00 14.51 N ATOM 330 CZ ARG A 23 7.438 -0.737 13.754 1.00 4.32 C ATOM 331 NH1 ARG A 23 7.896 -1.607 12.910 1.00 20.10 N ATOM 332 NH2 ARG A 23 7.686 -0.887 15.015 1.00 52.52 N ATOM 0 H ARG A 23 6.191 4.420 11.028 1.00 74.20 H new ATOM 0 HA ARG A 23 4.489 3.481 8.871 1.00 44.14 H new ATOM 0 HB2 ARG A 23 4.708 1.292 9.939 1.00 24.15 H new ATOM 0 HB3 ARG A 23 6.274 2.035 9.686 1.00 24.15 H new ATOM 0 HG2 ARG A 23 6.346 2.686 12.092 1.00 32.44 H new ATOM 0 HG3 ARG A 23 4.788 1.923 12.340 1.00 32.44 H new ATOM 0 HD2 ARG A 23 5.740 -0.263 11.587 1.00 22.25 H new ATOM 0 HD3 ARG A 23 7.298 0.500 11.343 1.00 22.25 H new ATOM 0 HE ARG A 23 6.399 0.948 14.045 1.00 14.51 H new ATOM 0 HH11 ARG A 23 7.707 -1.499 11.913 1.00 20.10 H new ATOM 0 HH12 ARG A 23 8.445 -2.400 13.242 1.00 20.10 H new ATOM 0 HH21 ARG A 23 7.331 -0.209 15.689 1.00 52.52 H new ATOM 0 HH22 ARG A 23 8.237 -1.684 15.335 1.00 52.52 H new ATOM 346 N LYS A 24 3.193 4.296 11.717 1.00 43.24 N ATOM 347 CA LYS A 24 1.899 4.489 12.392 1.00 45.34 C ATOM 348 C LYS A 24 0.850 5.081 11.435 1.00 33.22 C ATOM 349 O LYS A 24 -0.248 4.544 11.292 1.00 31.23 O ATOM 350 CB LYS A 24 2.058 5.396 13.625 1.00 4.52 C ATOM 351 CG LYS A 24 2.813 4.746 14.785 1.00 62.32 C ATOM 352 CD LYS A 24 2.993 5.710 15.954 1.00 55.34 C ATOM 353 CE LYS A 24 3.612 5.018 17.168 1.00 72.43 C ATOM 354 NZ LYS A 24 2.706 3.987 17.751 1.00 14.13 N ATOM 0 H LYS A 24 3.977 4.781 12.154 1.00 43.24 H new ATOM 0 HA LYS A 24 1.550 3.509 12.717 1.00 45.34 H new ATOM 0 HB2 LYS A 24 2.581 6.305 13.329 1.00 4.52 H new ATOM 0 HB3 LYS A 24 1.069 5.696 13.972 1.00 4.52 H new ATOM 0 HG2 LYS A 24 2.271 3.863 15.122 1.00 62.32 H new ATOM 0 HG3 LYS A 24 3.790 4.408 14.439 1.00 62.32 H new ATOM 0 HD2 LYS A 24 3.628 6.541 15.646 1.00 55.34 H new ATOM 0 HD3 LYS A 24 2.027 6.132 16.229 1.00 55.34 H new ATOM 0 HE2 LYS A 24 4.553 4.550 16.877 1.00 72.43 H new ATOM 0 HE3 LYS A 24 3.848 5.763 17.928 1.00 72.43 H new ATOM 0 HZ1 LYS A 24 3.051 3.714 18.693 1.00 14.13 H new ATOM 0 HZ2 LYS A 24 1.745 4.376 17.834 1.00 14.13 H new ATOM 0 HZ3 LYS A 24 2.689 3.151 17.133 1.00 14.13 H new ATOM 368 N PHE A 25 1.205 6.184 10.773 1.00 10.41 N ATOM 369 CA PHE A 25 0.302 6.847 9.822 1.00 51.30 C ATOM 370 C PHE A 25 0.021 5.971 8.588 1.00 25.44 C ATOM 371 O PHE A 25 -1.128 5.816 8.174 1.00 23.10 O ATOM 372 CB PHE A 25 0.892 8.194 9.381 1.00 5.10 C ATOM 373 CG PHE A 25 0.997 9.209 10.494 1.00 41.44 C ATOM 374 CD1 PHE A 25 2.126 9.267 11.301 1.00 74.20 C ATOM 375 CD2 PHE A 25 -0.037 10.108 10.729 1.00 20.21 C ATOM 376 CE1 PHE A 25 2.219 10.198 12.319 1.00 41.00 C ATOM 377 CE2 PHE A 25 0.055 11.040 11.747 1.00 61.23 C ATOM 378 CZ PHE A 25 1.184 11.084 12.542 1.00 33.22 C ATOM 0 H PHE A 25 2.112 6.640 10.876 1.00 10.41 H new ATOM 0 HA PHE A 25 -0.645 7.013 10.335 1.00 51.30 H new ATOM 0 HB2 PHE A 25 1.884 8.025 8.961 1.00 5.10 H new ATOM 0 HB3 PHE A 25 0.274 8.606 8.583 1.00 5.10 H new ATOM 0 HD1 PHE A 25 2.940 8.578 11.132 1.00 74.20 H new ATOM 0 HD2 PHE A 25 -0.922 10.078 10.110 1.00 20.21 H new ATOM 0 HE1 PHE A 25 3.102 10.232 12.940 1.00 41.00 H new ATOM 0 HE2 PHE A 25 -0.755 11.733 11.920 1.00 61.23 H new ATOM 0 HZ PHE A 25 1.257 11.811 13.337 1.00 33.22 H new ATOM 388 N VAL A 26 1.074 5.399 8.006 1.00 64.33 N ATOM 389 CA VAL A 26 0.931 4.556 6.812 1.00 33.00 C ATOM 390 C VAL A 26 0.068 3.312 7.097 1.00 34.43 C ATOM 391 O VAL A 26 -0.887 3.027 6.375 1.00 33.44 O ATOM 392 CB VAL A 26 2.307 4.112 6.258 1.00 73.24 C ATOM 393 CG1 VAL A 26 2.136 3.303 4.976 1.00 72.53 C ATOM 394 CG2 VAL A 26 3.209 5.321 6.011 1.00 5.43 C ATOM 0 H VAL A 26 2.033 5.501 8.337 1.00 64.33 H new ATOM 0 HA VAL A 26 0.431 5.167 6.060 1.00 33.00 H new ATOM 0 HB VAL A 26 2.783 3.477 7.005 1.00 73.24 H new ATOM 0 HG11 VAL A 26 3.115 3.001 4.603 1.00 72.53 H new ATOM 0 HG12 VAL A 26 1.537 2.416 5.183 1.00 72.53 H new ATOM 0 HG13 VAL A 26 1.634 3.913 4.225 1.00 72.53 H new ATOM 0 HG21 VAL A 26 4.170 4.985 5.622 1.00 5.43 H new ATOM 0 HG22 VAL A 26 2.737 5.985 5.287 1.00 5.43 H new ATOM 0 HG23 VAL A 26 3.364 5.857 6.948 1.00 5.43 H new ATOM 404 N LEU A 27 0.407 2.580 8.162 1.00 22.32 N ATOM 405 CA LEU A 27 -0.377 1.409 8.575 1.00 63.12 C ATOM 406 C LEU A 27 -1.809 1.804 8.957 1.00 75.14 C ATOM 407 O LEU A 27 -2.744 1.029 8.760 1.00 31.51 O ATOM 408 CB LEU A 27 0.306 0.680 9.742 1.00 73.44 C ATOM 409 CG LEU A 27 1.646 0.004 9.397 1.00 21.22 C ATOM 410 CD1 LEU A 27 2.302 -0.582 10.645 1.00 50.41 C ATOM 411 CD2 LEU A 27 1.445 -1.080 8.338 1.00 11.31 C ATOM 0 H LEU A 27 1.215 2.775 8.753 1.00 22.32 H new ATOM 0 HA LEU A 27 -0.429 0.730 7.724 1.00 63.12 H new ATOM 0 HB2 LEU A 27 0.474 1.395 10.547 1.00 73.44 H new ATOM 0 HB3 LEU A 27 -0.377 -0.078 10.126 1.00 73.44 H new ATOM 0 HG LEU A 27 2.312 0.765 8.991 1.00 21.22 H new ATOM 0 HD11 LEU A 27 3.246 -1.053 10.372 1.00 50.41 H new ATOM 0 HD12 LEU A 27 2.488 0.214 11.366 1.00 50.41 H new ATOM 0 HD13 LEU A 27 1.640 -1.326 11.089 1.00 50.41 H new ATOM 0 HD21 LEU A 27 2.403 -1.546 8.108 1.00 11.31 H new ATOM 0 HD22 LEU A 27 0.756 -1.835 8.716 1.00 11.31 H new ATOM 0 HD23 LEU A 27 1.032 -0.633 7.434 1.00 11.31 H new ATOM 423 N ALA A 28 -1.978 3.012 9.495 1.00 4.33 N ATOM 424 CA ALA A 28 -3.313 3.546 9.784 1.00 13.34 C ATOM 425 C ALA A 28 -4.123 3.723 8.492 1.00 45.44 C ATOM 426 O ALA A 28 -5.292 3.349 8.423 1.00 31.22 O ATOM 427 CB ALA A 28 -3.213 4.870 10.535 1.00 4.00 C ATOM 0 H ALA A 28 -1.211 3.639 9.739 1.00 4.33 H new ATOM 0 HA ALA A 28 -3.833 2.828 10.418 1.00 13.34 H new ATOM 0 HB1 ALA A 28 -4.214 5.249 10.739 1.00 4.00 H new ATOM 0 HB2 ALA A 28 -2.684 4.716 11.476 1.00 4.00 H new ATOM 0 HB3 ALA A 28 -2.669 5.593 9.927 1.00 4.00 H new ATOM 433 N ALA A 29 -3.493 4.295 7.468 1.00 43.42 N ATOM 434 CA ALA A 29 -4.127 4.443 6.155 1.00 64.12 C ATOM 435 C ALA A 29 -4.433 3.071 5.539 1.00 64.03 C ATOM 436 O ALA A 29 -5.455 2.881 4.878 1.00 5.42 O ATOM 437 CB ALA A 29 -3.230 5.258 5.228 1.00 62.32 C ATOM 0 H ALA A 29 -2.544 4.664 7.520 1.00 43.42 H new ATOM 0 HA ALA A 29 -5.071 4.973 6.285 1.00 64.12 H new ATOM 0 HB1 ALA A 29 -3.711 5.362 4.255 1.00 62.32 H new ATOM 0 HB2 ALA A 29 -3.064 6.246 5.658 1.00 62.32 H new ATOM 0 HB3 ALA A 29 -2.273 4.749 5.108 1.00 62.32 H new ATOM 443 N LEU A 30 -3.538 2.121 5.779 1.00 74.41 N ATOM 444 CA LEU A 30 -3.686 0.749 5.285 1.00 42.04 C ATOM 445 C LEU A 30 -4.904 0.046 5.915 1.00 60.12 C ATOM 446 O LEU A 30 -5.820 -0.383 5.207 1.00 62.34 O ATOM 447 CB LEU A 30 -2.397 -0.034 5.580 1.00 25.30 C ATOM 448 CG LEU A 30 -2.353 -1.486 5.078 1.00 1.23 C ATOM 449 CD1 LEU A 30 -2.555 -1.552 3.567 1.00 42.25 C ATOM 450 CD2 LEU A 30 -1.032 -2.137 5.475 1.00 31.32 C ATOM 0 H LEU A 30 -2.688 2.275 6.321 1.00 74.41 H new ATOM 0 HA LEU A 30 -3.857 0.783 4.209 1.00 42.04 H new ATOM 0 HB2 LEU A 30 -1.560 0.506 5.138 1.00 25.30 H new ATOM 0 HB3 LEU A 30 -2.239 -0.040 6.659 1.00 25.30 H new ATOM 0 HG LEU A 30 -3.170 -2.036 5.545 1.00 1.23 H new ATOM 0 HD11 LEU A 30 -2.519 -2.591 3.240 1.00 42.25 H new ATOM 0 HD12 LEU A 30 -3.524 -1.124 3.310 1.00 42.25 H new ATOM 0 HD13 LEU A 30 -1.766 -0.988 3.069 1.00 42.25 H new ATOM 0 HD21 LEU A 30 -1.011 -3.166 5.115 1.00 31.32 H new ATOM 0 HD22 LEU A 30 -0.205 -1.581 5.034 1.00 31.32 H new ATOM 0 HD23 LEU A 30 -0.935 -2.131 6.561 1.00 31.32 H new ATOM 462 N GLU A 31 -4.919 -0.053 7.247 1.00 34.03 N ATOM 463 CA GLU A 31 -6.009 -0.728 7.968 1.00 13.10 C ATOM 464 C GLU A 31 -7.377 -0.082 7.676 1.00 74.12 C ATOM 465 O GLU A 31 -8.373 -0.779 7.492 1.00 60.22 O ATOM 466 CB GLU A 31 -5.734 -0.729 9.484 1.00 12.33 C ATOM 467 CG GLU A 31 -5.626 0.663 10.102 1.00 24.24 C ATOM 468 CD GLU A 31 -5.388 0.629 11.604 1.00 41.24 C ATOM 469 OE1 GLU A 31 -6.379 0.547 12.366 1.00 0.25 O ATOM 470 OE2 GLU A 31 -4.215 0.693 12.036 1.00 53.30 O ATOM 0 H GLU A 31 -4.189 0.325 7.851 1.00 34.03 H new ATOM 0 HA GLU A 31 -6.046 -1.757 7.611 1.00 13.10 H new ATOM 0 HB2 GLU A 31 -6.532 -1.276 9.986 1.00 12.33 H new ATOM 0 HB3 GLU A 31 -4.808 -1.271 9.673 1.00 12.33 H new ATOM 0 HG2 GLU A 31 -4.811 1.205 9.623 1.00 24.24 H new ATOM 0 HG3 GLU A 31 -6.542 1.218 9.897 1.00 24.24 H new ATOM 477 N GLN A 32 -7.413 1.251 7.613 1.00 52.24 N ATOM 478 CA GLN A 32 -8.657 1.984 7.333 1.00 2.44 C ATOM 479 C GLN A 32 -9.118 1.799 5.875 1.00 73.21 C ATOM 480 O GLN A 32 -10.277 2.053 5.542 1.00 32.12 O ATOM 481 CB GLN A 32 -8.472 3.474 7.657 1.00 41.15 C ATOM 482 CG GLN A 32 -8.224 3.737 9.140 1.00 31.42 C ATOM 483 CD GLN A 32 -7.997 5.207 9.458 1.00 1.52 C ATOM 484 OE1 GLN A 32 -8.928 5.942 9.771 1.00 0.31 O ATOM 485 NE2 GLN A 32 -6.760 5.648 9.381 1.00 2.24 N ATOM 0 H GLN A 32 -6.597 1.848 7.752 1.00 52.24 H new ATOM 0 HA GLN A 32 -9.438 1.572 7.972 1.00 2.44 H new ATOM 0 HB2 GLN A 32 -7.634 3.864 7.080 1.00 41.15 H new ATOM 0 HB3 GLN A 32 -9.360 4.022 7.340 1.00 41.15 H new ATOM 0 HG2 GLN A 32 -9.077 3.375 9.714 1.00 31.42 H new ATOM 0 HG3 GLN A 32 -7.355 3.164 9.464 1.00 31.42 H new ATOM 0 HE21 GLN A 32 -6.007 5.012 9.118 1.00 2.24 H new ATOM 0 HE22 GLN A 32 -6.554 6.626 9.584 1.00 2.24 H new ATOM 494 N SER A 33 -8.204 1.361 5.010 1.00 61.10 N ATOM 495 CA SER A 33 -8.538 1.066 3.606 1.00 24.43 C ATOM 496 C SER A 33 -8.756 -0.439 3.384 1.00 72.02 C ATOM 497 O SER A 33 -9.120 -0.870 2.287 1.00 51.21 O ATOM 498 CB SER A 33 -7.433 1.570 2.668 1.00 50.34 C ATOM 499 OG SER A 33 -7.281 2.979 2.761 1.00 32.43 O ATOM 0 H SER A 33 -7.226 1.201 5.251 1.00 61.10 H new ATOM 0 HA SER A 33 -9.468 1.587 3.378 1.00 24.43 H new ATOM 0 HB2 SER A 33 -6.490 1.083 2.918 1.00 50.34 H new ATOM 0 HB3 SER A 33 -7.671 1.295 1.641 1.00 50.34 H new ATOM 0 HG SER A 33 -6.638 3.193 3.469 1.00 32.43 H new ATOM 505 N SER A 34 -8.527 -1.235 4.428 1.00 32.44 N ATOM 506 CA SER A 34 -8.695 -2.694 4.349 1.00 20.34 C ATOM 507 C SER A 34 -10.174 -3.091 4.445 1.00 55.23 C ATOM 508 O SER A 34 -10.893 -2.634 5.335 1.00 71.14 O ATOM 509 CB SER A 34 -7.898 -3.391 5.463 1.00 1.20 C ATOM 510 OG SER A 34 -6.505 -3.141 5.340 1.00 60.53 O ATOM 0 H SER A 34 -8.224 -0.898 5.342 1.00 32.44 H new ATOM 0 HA SER A 34 -8.314 -3.016 3.380 1.00 20.34 H new ATOM 0 HB2 SER A 34 -8.247 -3.042 6.435 1.00 1.20 H new ATOM 0 HB3 SER A 34 -8.081 -4.465 5.426 1.00 1.20 H new ATOM 0 HG SER A 34 -6.347 -2.174 5.315 1.00 60.53 H new ATOM 516 N ASP A 35 -10.623 -3.942 3.527 1.00 2.21 N ATOM 517 CA ASP A 35 -12.027 -4.372 3.488 1.00 73.21 C ATOM 518 C ASP A 35 -12.298 -5.529 4.477 1.00 15.01 C ATOM 519 O ASP A 35 -11.496 -5.783 5.379 1.00 22.33 O ATOM 520 CB ASP A 35 -12.396 -4.760 2.053 1.00 22.20 C ATOM 521 CG ASP A 35 -12.146 -3.619 1.079 1.00 5.24 C ATOM 522 OD1 ASP A 35 -12.761 -2.542 1.243 1.00 64.01 O ATOM 523 OD2 ASP A 35 -11.327 -3.786 0.150 1.00 3.24 O ATOM 0 H ASP A 35 -10.039 -4.351 2.798 1.00 2.21 H new ATOM 0 HA ASP A 35 -12.659 -3.542 3.805 1.00 73.21 H new ATOM 0 HB2 ASP A 35 -11.814 -5.631 1.750 1.00 22.20 H new ATOM 0 HB3 ASP A 35 -13.446 -5.049 2.013 1.00 22.20 H new ATOM 528 N ASP A 36 -13.425 -6.225 4.305 1.00 63.42 N ATOM 529 CA ASP A 36 -13.878 -7.242 5.271 1.00 13.13 C ATOM 530 C ASP A 36 -12.816 -8.327 5.556 1.00 61.31 C ATOM 531 O ASP A 36 -12.642 -8.746 6.701 1.00 11.45 O ATOM 532 CB ASP A 36 -15.174 -7.893 4.776 1.00 32.23 C ATOM 533 CG ASP A 36 -15.707 -8.933 5.748 1.00 10.30 C ATOM 534 OD1 ASP A 36 -16.105 -8.554 6.870 1.00 43.45 O ATOM 535 OD2 ASP A 36 -15.727 -10.132 5.399 1.00 53.33 O ATOM 0 H ASP A 36 -14.046 -6.106 3.504 1.00 63.42 H new ATOM 0 HA ASP A 36 -14.055 -6.723 6.213 1.00 13.13 H new ATOM 0 HB2 ASP A 36 -15.929 -7.122 4.623 1.00 32.23 H new ATOM 0 HB3 ASP A 36 -14.996 -8.362 3.808 1.00 32.23 H new ATOM 540 N ALA A 37 -12.095 -8.767 4.526 1.00 72.34 N ATOM 541 CA ALA A 37 -11.098 -9.839 4.683 1.00 54.42 C ATOM 542 C ALA A 37 -9.806 -9.332 5.343 1.00 72.13 C ATOM 543 O ALA A 37 -8.958 -10.126 5.761 1.00 10.41 O ATOM 544 CB ALA A 37 -10.787 -10.470 3.329 1.00 14.54 C ATOM 0 H ALA A 37 -12.177 -8.404 3.576 1.00 72.34 H new ATOM 0 HA ALA A 37 -11.528 -10.593 5.343 1.00 54.42 H new ATOM 0 HB1 ALA A 37 -10.049 -11.261 3.457 1.00 14.54 H new ATOM 0 HB2 ALA A 37 -11.699 -10.890 2.905 1.00 14.54 H new ATOM 0 HB3 ALA A 37 -10.391 -9.710 2.656 1.00 14.54 H new ATOM 550 N GLY A 38 -9.664 -8.014 5.444 1.00 23.31 N ATOM 551 CA GLY A 38 -8.467 -7.430 6.044 1.00 63.14 C ATOM 552 C GLY A 38 -7.357 -7.172 5.034 1.00 11.44 C ATOM 553 O GLY A 38 -6.173 -7.174 5.380 1.00 31.22 O ATOM 0 H GLY A 38 -10.354 -7.335 5.122 1.00 23.31 H new ATOM 0 HA2 GLY A 38 -8.733 -6.491 6.530 1.00 63.14 H new ATOM 0 HA3 GLY A 38 -8.095 -8.098 6.821 1.00 63.14 H new ATOM 557 N TRP A 39 -7.745 -6.967 3.780 1.00 31.10 N ATOM 558 CA TRP A 39 -6.806 -6.617 2.711 1.00 40.45 C ATOM 559 C TRP A 39 -7.182 -5.268 2.082 1.00 42.32 C ATOM 560 O TRP A 39 -8.355 -5.007 1.801 1.00 72.23 O ATOM 561 CB TRP A 39 -6.801 -7.700 1.625 1.00 32.53 C ATOM 562 CG TRP A 39 -6.256 -9.024 2.074 1.00 53.52 C ATOM 563 CD1 TRP A 39 -6.959 -10.063 2.609 1.00 60.53 C ATOM 564 CD2 TRP A 39 -4.889 -9.446 2.028 1.00 44.35 C ATOM 565 NE1 TRP A 39 -6.114 -11.105 2.895 1.00 53.31 N ATOM 566 CE2 TRP A 39 -4.837 -10.751 2.549 1.00 13.34 C ATOM 567 CE3 TRP A 39 -3.701 -8.844 1.599 1.00 53.42 C ATOM 568 CZ2 TRP A 39 -3.646 -11.468 2.645 1.00 54.40 C ATOM 569 CZ3 TRP A 39 -2.520 -9.556 1.694 1.00 72.41 C ATOM 570 CH2 TRP A 39 -2.500 -10.854 2.216 1.00 51.01 C ATOM 0 H TRP A 39 -8.715 -7.038 3.473 1.00 31.10 H new ATOM 0 HA TRP A 39 -5.811 -6.542 3.149 1.00 40.45 H new ATOM 0 HB2 TRP A 39 -7.820 -7.843 1.267 1.00 32.53 H new ATOM 0 HB3 TRP A 39 -6.212 -7.346 0.779 1.00 32.53 H new ATOM 0 HD1 TRP A 39 -8.025 -10.065 2.782 1.00 60.53 H new ATOM 0 HE1 TRP A 39 -6.392 -11.999 3.300 1.00 53.31 H new ATOM 0 HE3 TRP A 39 -3.707 -7.840 1.200 1.00 53.42 H new ATOM 0 HZ2 TRP A 39 -3.628 -12.472 3.043 1.00 54.40 H new ATOM 0 HZ3 TRP A 39 -1.598 -9.103 1.360 1.00 72.41 H new ATOM 0 HH2 TRP A 39 -1.561 -11.383 2.282 1.00 51.01 H new ATOM 581 N ALA A 40 -6.187 -4.416 1.868 1.00 64.34 N ATOM 582 CA ALA A 40 -6.398 -3.117 1.226 1.00 42.32 C ATOM 583 C ALA A 40 -5.816 -3.093 -0.192 1.00 65.00 C ATOM 584 O ALA A 40 -4.634 -3.369 -0.390 1.00 72.23 O ATOM 585 CB ALA A 40 -5.772 -2.013 2.068 1.00 22.24 C ATOM 0 H ALA A 40 -5.219 -4.600 2.130 1.00 64.34 H new ATOM 0 HA ALA A 40 -7.472 -2.949 1.150 1.00 42.32 H new ATOM 0 HB1 ALA A 40 -5.933 -1.050 1.583 1.00 22.24 H new ATOM 0 HB2 ALA A 40 -6.232 -2.004 3.056 1.00 22.24 H new ATOM 0 HB3 ALA A 40 -4.702 -2.194 2.168 1.00 22.24 H new ATOM 591 N ASN A 41 -6.650 -2.767 -1.176 1.00 11.04 N ATOM 592 CA ASN A 41 -6.195 -2.646 -2.564 1.00 4.12 C ATOM 593 C ASN A 41 -5.179 -1.497 -2.697 1.00 71.25 C ATOM 594 O ASN A 41 -5.419 -0.395 -2.198 1.00 61.14 O ATOM 595 CB ASN A 41 -7.404 -2.414 -3.488 1.00 71.33 C ATOM 596 CG ASN A 41 -7.046 -2.389 -4.967 1.00 62.33 C ATOM 597 OD1 ASN A 41 -5.953 -1.997 -5.357 1.00 31.54 O ATOM 598 ND2 ASN A 41 -7.971 -2.809 -5.805 1.00 30.01 N ATOM 0 H ASN A 41 -7.644 -2.581 -1.041 1.00 11.04 H new ATOM 0 HA ASN A 41 -5.700 -3.571 -2.860 1.00 4.12 H new ATOM 0 HB2 ASN A 41 -8.139 -3.200 -3.314 1.00 71.33 H new ATOM 0 HB3 ASN A 41 -7.878 -1.469 -3.222 1.00 71.33 H new ATOM 0 HD21 ASN A 41 -7.786 -2.814 -6.808 1.00 30.01 H new ATOM 0 HD22 ASN A 41 -8.872 -3.130 -5.451 1.00 30.01 H new ATOM 605 N LEU A 42 -4.055 -1.767 -3.366 1.00 41.32 N ATOM 606 CA LEU A 42 -2.984 -0.771 -3.565 1.00 11.31 C ATOM 607 C LEU A 42 -3.542 0.612 -3.956 1.00 35.11 C ATOM 608 O LEU A 42 -3.061 1.645 -3.482 1.00 40.23 O ATOM 609 CB LEU A 42 -2.012 -1.263 -4.649 1.00 33.04 C ATOM 610 CG LEU A 42 -0.836 -0.320 -4.967 1.00 71.25 C ATOM 611 CD1 LEU A 42 0.078 -0.157 -3.754 1.00 22.01 C ATOM 612 CD2 LEU A 42 -0.048 -0.825 -6.175 1.00 3.44 C ATOM 0 H LEU A 42 -3.857 -2.675 -3.785 1.00 41.32 H new ATOM 0 HA LEU A 42 -2.460 -0.658 -2.616 1.00 11.31 H new ATOM 0 HB2 LEU A 42 -1.608 -2.227 -4.339 1.00 33.04 H new ATOM 0 HB3 LEU A 42 -2.575 -1.434 -5.566 1.00 33.04 H new ATOM 0 HG LEU A 42 -1.247 0.659 -5.213 1.00 71.25 H new ATOM 0 HD11 LEU A 42 0.900 0.513 -4.005 1.00 22.01 H new ATOM 0 HD12 LEU A 42 -0.491 0.261 -2.924 1.00 22.01 H new ATOM 0 HD13 LEU A 42 0.478 -1.129 -3.466 1.00 22.01 H new ATOM 0 HD21 LEU A 42 0.778 -0.144 -6.382 1.00 3.44 H new ATOM 0 HD22 LEU A 42 0.346 -1.819 -5.963 1.00 3.44 H new ATOM 0 HD23 LEU A 42 -0.705 -0.873 -7.044 1.00 3.44 H new ATOM 624 N GLY A 43 -4.564 0.622 -4.812 1.00 0.31 N ATOM 625 CA GLY A 43 -5.196 1.872 -5.219 1.00 14.21 C ATOM 626 C GLY A 43 -5.794 2.651 -4.049 1.00 22.14 C ATOM 627 O GLY A 43 -5.519 3.842 -3.879 1.00 40.14 O ATOM 0 H GLY A 43 -4.967 -0.215 -5.233 1.00 0.31 H new ATOM 0 HA2 GLY A 43 -4.460 2.496 -5.725 1.00 14.21 H new ATOM 0 HA3 GLY A 43 -5.982 1.656 -5.943 1.00 14.21 H new ATOM 631 N ASN A 44 -6.607 1.973 -3.235 1.00 13.01 N ATOM 632 CA ASN A 44 -7.239 2.602 -2.066 1.00 34.51 C ATOM 633 C ASN A 44 -6.190 2.978 -1.009 1.00 3.22 C ATOM 634 O ASN A 44 -6.279 4.030 -0.372 1.00 15.41 O ATOM 635 CB ASN A 44 -8.290 1.663 -1.457 1.00 34.23 C ATOM 636 CG ASN A 44 -9.321 1.217 -2.478 1.00 74.02 C ATOM 637 OD1 ASN A 44 -9.594 1.920 -3.448 1.00 60.34 O ATOM 638 ND2 ASN A 44 -9.900 0.050 -2.277 1.00 10.23 N ATOM 0 H ASN A 44 -6.845 0.989 -3.361 1.00 13.01 H new ATOM 0 HA ASN A 44 -7.731 3.516 -2.399 1.00 34.51 H new ATOM 0 HB2 ASN A 44 -7.794 0.788 -1.038 1.00 34.23 H new ATOM 0 HB3 ASN A 44 -8.793 2.169 -0.633 1.00 34.23 H new ATOM 0 HD21 ASN A 44 -10.597 -0.294 -2.937 1.00 10.23 H new ATOM 0 HD22 ASN A 44 -9.651 -0.509 -1.461 1.00 10.23 H new ATOM 645 N PHE A 45 -5.192 2.110 -0.840 1.00 1.03 N ATOM 646 CA PHE A 45 -4.075 2.367 0.071 1.00 53.24 C ATOM 647 C PHE A 45 -3.347 3.669 -0.298 1.00 4.13 C ATOM 648 O PHE A 45 -3.267 4.588 0.511 1.00 63.12 O ATOM 649 CB PHE A 45 -3.095 1.186 0.049 1.00 31.05 C ATOM 650 CG PHE A 45 -1.813 1.432 0.808 1.00 22.33 C ATOM 651 CD1 PHE A 45 -1.826 1.617 2.183 1.00 11.04 C ATOM 652 CD2 PHE A 45 -0.593 1.467 0.146 1.00 14.43 C ATOM 653 CE1 PHE A 45 -0.651 1.831 2.879 1.00 42.22 C ATOM 654 CE2 PHE A 45 0.582 1.681 0.838 1.00 12.52 C ATOM 655 CZ PHE A 45 0.553 1.862 2.205 1.00 10.52 C ATOM 0 H PHE A 45 -5.134 1.215 -1.326 1.00 1.03 H new ATOM 0 HA PHE A 45 -4.476 2.479 1.078 1.00 53.24 H new ATOM 0 HB2 PHE A 45 -3.590 0.310 0.468 1.00 31.05 H new ATOM 0 HB3 PHE A 45 -2.851 0.950 -0.987 1.00 31.05 H new ATOM 0 HD1 PHE A 45 -2.765 1.594 2.716 1.00 11.04 H new ATOM 0 HD2 PHE A 45 -0.563 1.325 -0.924 1.00 14.43 H new ATOM 0 HE1 PHE A 45 -0.675 1.974 3.949 1.00 42.22 H new ATOM 0 HE2 PHE A 45 1.523 1.707 0.309 1.00 12.52 H new ATOM 0 HZ PHE A 45 1.472 2.028 2.748 1.00 10.52 H new ATOM 665 N GLY A 46 -2.841 3.741 -1.531 1.00 22.21 N ATOM 666 CA GLY A 46 -2.137 4.936 -1.992 1.00 51.15 C ATOM 667 C GLY A 46 -2.976 6.207 -1.894 1.00 20.52 C ATOM 668 O GLY A 46 -2.455 7.285 -1.596 1.00 13.33 O ATOM 0 H GLY A 46 -2.905 2.993 -2.221 1.00 22.21 H new ATOM 0 HA2 GLY A 46 -1.228 5.063 -1.404 1.00 51.15 H new ATOM 0 HA3 GLY A 46 -1.829 4.791 -3.028 1.00 51.15 H new ATOM 672 N ASN A 47 -4.279 6.077 -2.141 1.00 63.02 N ATOM 673 CA ASN A 47 -5.207 7.210 -2.062 1.00 52.24 C ATOM 674 C ASN A 47 -5.326 7.731 -0.616 1.00 31.14 C ATOM 675 O ASN A 47 -4.943 8.865 -0.317 1.00 72.44 O ATOM 676 CB ASN A 47 -6.584 6.782 -2.594 1.00 15.34 C ATOM 677 CG ASN A 47 -7.575 7.930 -2.723 1.00 30.32 C ATOM 678 OD1 ASN A 47 -7.535 8.903 -1.977 1.00 1.32 O ATOM 679 ND2 ASN A 47 -8.475 7.823 -3.678 1.00 5.35 N ATOM 0 H ASN A 47 -4.720 5.194 -2.399 1.00 63.02 H new ATOM 0 HA ASN A 47 -4.819 8.023 -2.675 1.00 52.24 H new ATOM 0 HB2 ASN A 47 -6.457 6.313 -3.569 1.00 15.34 H new ATOM 0 HB3 ASN A 47 -7.002 6.026 -1.929 1.00 15.34 H new ATOM 0 HD21 ASN A 47 -9.165 8.562 -3.814 1.00 5.35 H new ATOM 0 HD22 ASN A 47 -8.482 7.001 -4.282 1.00 5.35 H new ATOM 686 N TYR A 48 -5.836 6.885 0.282 1.00 41.11 N ATOM 687 CA TYR A 48 -6.056 7.280 1.679 1.00 11.12 C ATOM 688 C TYR A 48 -4.726 7.628 2.373 1.00 21.32 C ATOM 689 O TYR A 48 -4.679 8.481 3.265 1.00 10.15 O ATOM 690 CB TYR A 48 -6.784 6.160 2.436 1.00 23.33 C ATOM 691 CG TYR A 48 -7.518 6.637 3.677 1.00 63.42 C ATOM 692 CD1 TYR A 48 -8.719 7.328 3.564 1.00 21.45 C ATOM 693 CD2 TYR A 48 -7.016 6.404 4.955 1.00 33.10 C ATOM 694 CE1 TYR A 48 -9.401 7.766 4.682 1.00 51.32 C ATOM 695 CE2 TYR A 48 -7.695 6.839 6.078 1.00 72.14 C ATOM 696 CZ TYR A 48 -8.884 7.522 5.936 1.00 44.05 C ATOM 697 OH TYR A 48 -9.568 7.954 7.053 1.00 61.03 O ATOM 0 H TYR A 48 -6.104 5.924 0.070 1.00 41.11 H new ATOM 0 HA TYR A 48 -6.680 8.174 1.688 1.00 11.12 H new ATOM 0 HB2 TYR A 48 -7.498 5.684 1.764 1.00 23.33 H new ATOM 0 HB3 TYR A 48 -6.060 5.398 2.724 1.00 23.33 H new ATOM 0 HD1 TYR A 48 -9.126 7.526 2.584 1.00 21.45 H new ATOM 0 HD2 TYR A 48 -6.081 5.875 5.071 1.00 33.10 H new ATOM 0 HE1 TYR A 48 -10.335 8.297 4.574 1.00 51.32 H new ATOM 0 HE2 TYR A 48 -7.296 6.645 7.062 1.00 72.14 H new ATOM 0 HH TYR A 48 -9.071 7.702 7.859 1.00 61.03 H new ATOM 707 N LEU A 49 -3.650 6.967 1.947 1.00 3.11 N ATOM 708 CA LEU A 49 -2.303 7.249 2.460 1.00 31.24 C ATOM 709 C LEU A 49 -1.876 8.686 2.147 1.00 4.12 C ATOM 710 O LEU A 49 -1.325 9.376 3.001 1.00 22.33 O ATOM 711 CB LEU A 49 -1.285 6.262 1.867 1.00 4.10 C ATOM 712 CG LEU A 49 0.182 6.502 2.256 1.00 21.24 C ATOM 713 CD1 LEU A 49 0.362 6.450 3.770 1.00 72.30 C ATOM 714 CD2 LEU A 49 1.093 5.488 1.567 1.00 64.45 C ATOM 0 H LEU A 49 -3.682 6.228 1.244 1.00 3.11 H new ATOM 0 HA LEU A 49 -2.331 7.129 3.543 1.00 31.24 H new ATOM 0 HB2 LEU A 49 -1.563 5.254 2.175 1.00 4.10 H new ATOM 0 HB3 LEU A 49 -1.364 6.297 0.780 1.00 4.10 H new ATOM 0 HG LEU A 49 0.463 7.500 1.919 1.00 21.24 H new ATOM 0 HD11 LEU A 49 1.409 6.623 4.018 1.00 72.30 H new ATOM 0 HD12 LEU A 49 -0.253 7.220 4.236 1.00 72.30 H new ATOM 0 HD13 LEU A 49 0.059 5.470 4.139 1.00 72.30 H new ATOM 0 HD21 LEU A 49 2.128 5.674 1.855 1.00 64.45 H new ATOM 0 HD22 LEU A 49 0.808 4.480 1.868 1.00 64.45 H new ATOM 0 HD23 LEU A 49 0.994 5.586 0.486 1.00 64.45 H new ATOM 726 N ASN A 50 -2.136 9.136 0.920 1.00 72.42 N ATOM 727 CA ASN A 50 -1.779 10.497 0.507 1.00 73.15 C ATOM 728 C ASN A 50 -2.625 11.542 1.259 1.00 51.55 C ATOM 729 O ASN A 50 -2.177 12.663 1.502 1.00 21.42 O ATOM 730 CB ASN A 50 -1.949 10.650 -1.010 1.00 70.41 C ATOM 731 CG ASN A 50 -1.421 11.978 -1.527 1.00 50.11 C ATOM 732 OD1 ASN A 50 -2.153 12.955 -1.644 1.00 65.02 O ATOM 733 ND2 ASN A 50 -0.140 12.030 -1.835 1.00 15.22 N ATOM 0 H ASN A 50 -2.591 8.582 0.195 1.00 72.42 H new ATOM 0 HA ASN A 50 -0.733 10.671 0.761 1.00 73.15 H new ATOM 0 HB2 ASN A 50 -1.429 9.836 -1.514 1.00 70.41 H new ATOM 0 HB3 ASN A 50 -3.005 10.559 -1.264 1.00 70.41 H new ATOM 0 HD21 ASN A 50 0.266 12.899 -2.181 1.00 15.22 H new ATOM 0 HD22 ASN A 50 0.444 11.201 -1.727 1.00 15.22 H new ATOM 740 N LYS A 51 -3.850 11.164 1.631 1.00 21.14 N ATOM 741 CA LYS A 51 -4.719 12.039 2.434 1.00 74.41 C ATOM 742 C LYS A 51 -4.103 12.320 3.814 1.00 44.51 C ATOM 743 O LYS A 51 -4.075 13.465 4.277 1.00 43.30 O ATOM 744 CB LYS A 51 -6.105 11.403 2.615 1.00 5.53 C ATOM 745 CG LYS A 51 -6.854 11.144 1.308 1.00 72.13 C ATOM 746 CD LYS A 51 -8.207 10.478 1.556 1.00 25.23 C ATOM 747 CE LYS A 51 -9.152 11.372 2.352 1.00 71.00 C ATOM 748 NZ LYS A 51 -9.517 12.607 1.605 1.00 13.21 N ATOM 0 H LYS A 51 -4.265 10.263 1.392 1.00 21.14 H new ATOM 0 HA LYS A 51 -4.820 12.982 1.897 1.00 74.41 H new ATOM 0 HB2 LYS A 51 -5.992 10.459 3.148 1.00 5.53 H new ATOM 0 HB3 LYS A 51 -6.711 12.054 3.245 1.00 5.53 H new ATOM 0 HG2 LYS A 51 -7.003 12.086 0.781 1.00 72.13 H new ATOM 0 HG3 LYS A 51 -6.249 10.509 0.661 1.00 72.13 H new ATOM 0 HD2 LYS A 51 -8.667 10.226 0.600 1.00 25.23 H new ATOM 0 HD3 LYS A 51 -8.056 9.542 2.094 1.00 25.23 H new ATOM 0 HE2 LYS A 51 -10.057 10.816 2.596 1.00 71.00 H new ATOM 0 HE3 LYS A 51 -8.682 11.646 3.296 1.00 71.00 H new ATOM 0 HZ1 LYS A 51 -10.274 13.109 2.112 1.00 13.21 H new ATOM 0 HZ2 LYS A 51 -8.684 13.225 1.527 1.00 13.21 H new ATOM 0 HZ3 LYS A 51 -9.849 12.352 0.653 1.00 13.21 H new ATOM 762 N LEU A 52 -3.616 11.267 4.469 1.00 51.01 N ATOM 763 CA LEU A 52 -3.009 11.390 5.799 1.00 61.13 C ATOM 764 C LEU A 52 -1.571 11.923 5.711 1.00 13.04 C ATOM 765 O LEU A 52 -1.160 12.768 6.509 1.00 45.42 O ATOM 766 CB LEU A 52 -3.018 10.031 6.518 1.00 53.50 C ATOM 767 CG LEU A 52 -4.403 9.368 6.669 1.00 74.35 C ATOM 768 CD1 LEU A 52 -4.301 8.074 7.478 1.00 22.14 C ATOM 769 CD2 LEU A 52 -5.407 10.330 7.308 1.00 63.14 C ATOM 0 H LEU A 52 -3.629 10.316 4.101 1.00 51.01 H new ATOM 0 HA LEU A 52 -3.603 12.104 6.370 1.00 61.13 H new ATOM 0 HB2 LEU A 52 -2.365 9.348 5.975 1.00 53.50 H new ATOM 0 HB3 LEU A 52 -2.587 10.162 7.511 1.00 53.50 H new ATOM 0 HG LEU A 52 -4.765 9.118 5.672 1.00 74.35 H new ATOM 0 HD11 LEU A 52 -5.290 7.624 7.571 1.00 22.14 H new ATOM 0 HD12 LEU A 52 -3.633 7.379 6.970 1.00 22.14 H new ATOM 0 HD13 LEU A 52 -3.908 8.295 8.470 1.00 22.14 H new ATOM 0 HD21 LEU A 52 -6.374 9.837 7.402 1.00 63.14 H new ATOM 0 HD22 LEU A 52 -5.052 10.624 8.296 1.00 63.14 H new ATOM 0 HD23 LEU A 52 -5.511 11.216 6.682 1.00 63.14 H new ATOM 781 N GLN A 53 -0.811 11.421 4.740 1.00 20.32 N ATOM 782 CA GLN A 53 0.587 11.829 4.536 1.00 2.23 C ATOM 783 C GLN A 53 0.818 12.322 3.093 1.00 12.34 C ATOM 784 O GLN A 53 1.232 11.553 2.221 1.00 32.23 O ATOM 785 CB GLN A 53 1.534 10.654 4.840 1.00 64.33 C ATOM 786 CG GLN A 53 1.508 10.176 6.288 1.00 25.13 C ATOM 787 CD GLN A 53 2.071 11.199 7.263 1.00 22.23 C ATOM 788 OE1 GLN A 53 3.263 11.214 7.540 1.00 72.14 O ATOM 789 NE2 GLN A 53 1.226 12.057 7.791 1.00 73.01 N ATOM 0 H GLN A 53 -1.140 10.723 4.073 1.00 20.32 H new ATOM 0 HA GLN A 53 0.799 12.651 5.220 1.00 2.23 H new ATOM 0 HB2 GLN A 53 1.275 9.818 4.190 1.00 64.33 H new ATOM 0 HB3 GLN A 53 2.552 10.950 4.587 1.00 64.33 H new ATOM 0 HG2 GLN A 53 0.481 9.942 6.569 1.00 25.13 H new ATOM 0 HG3 GLN A 53 2.080 9.252 6.370 1.00 25.13 H new ATOM 0 HE21 GLN A 53 0.238 12.020 7.541 1.00 73.01 H new ATOM 0 HE22 GLN A 53 1.559 12.760 8.451 1.00 73.01 H new ATOM 798 N PRO A 54 0.551 13.616 2.817 1.00 52.35 N ATOM 799 CA PRO A 54 0.698 14.186 1.463 1.00 74.51 C ATOM 800 C PRO A 54 2.164 14.328 1.023 1.00 72.00 C ATOM 801 O PRO A 54 2.458 14.465 -0.166 1.00 54.33 O ATOM 802 CB PRO A 54 0.028 15.563 1.591 1.00 33.24 C ATOM 803 CG PRO A 54 0.166 15.920 3.032 1.00 64.23 C ATOM 804 CD PRO A 54 0.077 14.622 3.792 1.00 1.15 C ATOM 0 HA PRO A 54 0.253 13.545 0.703 1.00 74.51 H new ATOM 0 HB2 PRO A 54 0.514 16.301 0.952 1.00 33.24 H new ATOM 0 HB3 PRO A 54 -1.019 15.523 1.292 1.00 33.24 H new ATOM 0 HG2 PRO A 54 1.117 16.418 3.221 1.00 64.23 H new ATOM 0 HG3 PRO A 54 -0.621 16.608 3.341 1.00 64.23 H new ATOM 0 HD2 PRO A 54 0.699 14.638 4.687 1.00 1.15 H new ATOM 0 HD3 PRO A 54 -0.943 14.416 4.117 1.00 1.15 H new ATOM 812 N ASP A 55 3.080 14.287 1.988 1.00 22.32 N ATOM 813 CA ASP A 55 4.513 14.423 1.706 1.00 54.25 C ATOM 814 C ASP A 55 5.201 13.047 1.583 1.00 12.32 C ATOM 815 O ASP A 55 6.411 12.961 1.374 1.00 22.41 O ATOM 816 CB ASP A 55 5.166 15.258 2.817 1.00 63.35 C ATOM 817 CG ASP A 55 6.606 15.631 2.511 1.00 53.31 C ATOM 818 OD1 ASP A 55 6.839 16.340 1.510 1.00 21.13 O ATOM 819 OD2 ASP A 55 7.506 15.241 3.283 1.00 51.41 O ATOM 0 H ASP A 55 2.858 14.160 2.975 1.00 22.32 H new ATOM 0 HA ASP A 55 4.634 14.928 0.748 1.00 54.25 H new ATOM 0 HB2 ASP A 55 4.585 16.168 2.969 1.00 63.35 H new ATOM 0 HB3 ASP A 55 5.132 14.698 3.752 1.00 63.35 H new ATOM 824 N PHE A 56 4.427 11.971 1.701 1.00 74.14 N ATOM 825 CA PHE A 56 4.979 10.614 1.628 1.00 31.14 C ATOM 826 C PHE A 56 4.967 10.086 0.186 1.00 62.31 C ATOM 827 O PHE A 56 3.932 9.637 -0.320 1.00 33.53 O ATOM 828 CB PHE A 56 4.179 9.674 2.546 1.00 55.35 C ATOM 829 CG PHE A 56 4.750 8.280 2.656 1.00 25.22 C ATOM 830 CD1 PHE A 56 5.768 8.003 3.556 1.00 11.25 C ATOM 831 CD2 PHE A 56 4.266 7.246 1.863 1.00 34.41 C ATOM 832 CE1 PHE A 56 6.294 6.729 3.664 1.00 22.24 C ATOM 833 CE2 PHE A 56 4.790 5.970 1.967 1.00 62.34 C ATOM 834 CZ PHE A 56 5.805 5.711 2.867 1.00 10.42 C ATOM 0 H PHE A 56 3.418 12.008 1.847 1.00 74.14 H new ATOM 0 HA PHE A 56 6.016 10.648 1.963 1.00 31.14 H new ATOM 0 HB2 PHE A 56 4.129 10.113 3.542 1.00 55.35 H new ATOM 0 HB3 PHE A 56 3.156 9.607 2.176 1.00 55.35 H new ATOM 0 HD1 PHE A 56 6.155 8.794 4.181 1.00 11.25 H new ATOM 0 HD2 PHE A 56 3.472 7.441 1.158 1.00 34.41 H new ATOM 0 HE1 PHE A 56 7.086 6.529 4.370 1.00 22.24 H new ATOM 0 HE2 PHE A 56 4.405 5.176 1.344 1.00 62.34 H new ATOM 0 HZ PHE A 56 6.216 4.715 2.948 1.00 10.42 H new ATOM 844 N ASP A 57 6.120 10.161 -0.479 1.00 1.01 N ATOM 845 CA ASP A 57 6.264 9.638 -1.841 1.00 43.30 C ATOM 846 C ASP A 57 7.471 8.689 -1.960 1.00 23.12 C ATOM 847 O ASP A 57 8.531 8.925 -1.374 1.00 52.50 O ATOM 848 CB ASP A 57 6.384 10.780 -2.854 1.00 35.44 C ATOM 849 CG ASP A 57 6.283 10.269 -4.281 1.00 3.02 C ATOM 850 OD1 ASP A 57 5.174 9.864 -4.691 1.00 74.23 O ATOM 851 OD2 ASP A 57 7.309 10.237 -4.986 1.00 55.31 O ATOM 0 H ASP A 57 6.969 10.579 -0.098 1.00 1.01 H new ATOM 0 HA ASP A 57 5.364 9.065 -2.065 1.00 43.30 H new ATOM 0 HB2 ASP A 57 5.598 11.513 -2.672 1.00 35.44 H new ATOM 0 HB3 ASP A 57 7.336 11.292 -2.716 1.00 35.44 H new ATOM 856 N SER A 58 7.295 7.621 -2.730 1.00 71.25 N ATOM 857 CA SER A 58 8.333 6.599 -2.927 1.00 23.13 C ATOM 858 C SER A 58 9.640 7.166 -3.511 1.00 23.42 C ATOM 859 O SER A 58 10.729 6.690 -3.173 1.00 32.32 O ATOM 860 CB SER A 58 7.804 5.495 -3.846 1.00 2.21 C ATOM 861 OG SER A 58 7.360 6.034 -5.083 1.00 53.42 O ATOM 0 H SER A 58 6.431 7.433 -3.238 1.00 71.25 H new ATOM 0 HA SER A 58 8.570 6.200 -1.941 1.00 23.13 H new ATOM 0 HB2 SER A 58 8.588 4.759 -4.026 1.00 2.21 H new ATOM 0 HB3 SER A 58 6.982 4.972 -3.357 1.00 2.21 H new ATOM 0 HG SER A 58 6.383 5.972 -5.135 1.00 53.42 H new ATOM 867 N ARG A 59 9.542 8.177 -4.379 1.00 24.52 N ATOM 868 CA ARG A 59 10.735 8.772 -5.003 1.00 51.52 C ATOM 869 C ARG A 59 11.711 9.324 -3.953 1.00 14.13 C ATOM 870 O ARG A 59 12.929 9.261 -4.133 1.00 12.11 O ATOM 871 CB ARG A 59 10.344 9.885 -5.987 1.00 45.12 C ATOM 872 CG ARG A 59 9.609 9.389 -7.231 1.00 72.10 C ATOM 873 CD ARG A 59 10.476 8.452 -8.065 1.00 13.31 C ATOM 874 NE ARG A 59 11.738 9.075 -8.465 1.00 25.21 N ATOM 875 CZ ARG A 59 12.842 8.414 -8.694 1.00 25.04 C ATOM 876 NH1 ARG A 59 12.882 7.127 -8.554 1.00 43.53 N ATOM 877 NH2 ARG A 59 13.909 9.043 -9.055 1.00 13.23 N ATOM 0 H ARG A 59 8.659 8.600 -4.666 1.00 24.52 H new ATOM 0 HA ARG A 59 11.239 7.975 -5.550 1.00 51.52 H new ATOM 0 HB2 ARG A 59 9.713 10.607 -5.469 1.00 45.12 H new ATOM 0 HB3 ARG A 59 11.245 10.414 -6.297 1.00 45.12 H new ATOM 0 HG2 ARG A 59 8.697 8.871 -6.932 1.00 72.10 H new ATOM 0 HG3 ARG A 59 9.307 10.242 -7.839 1.00 72.10 H new ATOM 0 HD2 ARG A 59 10.685 7.548 -7.493 1.00 13.31 H new ATOM 0 HD3 ARG A 59 9.926 8.147 -8.955 1.00 13.31 H new ATOM 0 HE ARG A 59 11.757 10.089 -8.572 1.00 25.21 H new ATOM 0 HH11 ARG A 59 12.047 6.620 -8.262 1.00 43.53 H new ATOM 0 HH12 ARG A 59 13.749 6.621 -8.735 1.00 43.53 H new ATOM 0 HH21 ARG A 59 13.892 10.057 -9.162 1.00 13.23 H new ATOM 0 HH22 ARG A 59 14.770 8.526 -9.233 1.00 13.23 H new ATOM 891 N LEU A 60 11.173 9.842 -2.850 1.00 32.32 N ATOM 892 CA LEU A 60 12.002 10.371 -1.758 1.00 53.23 C ATOM 893 C LEU A 60 12.895 9.275 -1.151 1.00 45.33 C ATOM 894 O LEU A 60 13.988 9.546 -0.657 1.00 60.21 O ATOM 895 CB LEU A 60 11.113 10.981 -0.662 1.00 73.51 C ATOM 896 CG LEU A 60 10.216 12.149 -1.110 1.00 54.13 C ATOM 897 CD1 LEU A 60 9.362 12.649 0.054 1.00 44.14 C ATOM 898 CD2 LEU A 60 11.064 13.281 -1.689 1.00 2.02 C ATOM 0 H LEU A 60 10.169 9.909 -2.685 1.00 32.32 H new ATOM 0 HA LEU A 60 12.646 11.145 -2.175 1.00 53.23 H new ATOM 0 HB2 LEU A 60 10.478 10.194 -0.254 1.00 73.51 H new ATOM 0 HB3 LEU A 60 11.753 11.328 0.149 1.00 73.51 H new ATOM 0 HG LEU A 60 9.545 11.791 -1.891 1.00 54.13 H new ATOM 0 HD11 LEU A 60 8.735 13.475 -0.283 1.00 44.14 H new ATOM 0 HD12 LEU A 60 8.730 11.838 0.416 1.00 44.14 H new ATOM 0 HD13 LEU A 60 10.011 12.992 0.860 1.00 44.14 H new ATOM 0 HD21 LEU A 60 10.415 14.099 -2.001 1.00 2.02 H new ATOM 0 HD22 LEU A 60 11.760 13.639 -0.930 1.00 2.02 H new ATOM 0 HD23 LEU A 60 11.623 12.913 -2.549 1.00 2.02 H new ATOM 910 N TYR A 61 12.418 8.032 -1.201 1.00 10.15 N ATOM 911 CA TYR A 61 13.156 6.889 -0.649 1.00 23.42 C ATOM 912 C TYR A 61 14.027 6.202 -1.719 1.00 2.12 C ATOM 913 O TYR A 61 14.655 5.174 -1.460 1.00 71.44 O ATOM 914 CB TYR A 61 12.174 5.881 -0.035 1.00 2.52 C ATOM 915 CG TYR A 61 11.350 6.455 1.108 1.00 24.04 C ATOM 916 CD1 TYR A 61 10.167 7.148 0.867 1.00 24.53 C ATOM 917 CD2 TYR A 61 11.760 6.305 2.428 1.00 55.12 C ATOM 918 CE1 TYR A 61 9.423 7.678 1.906 1.00 75.22 C ATOM 919 CE2 TYR A 61 11.020 6.830 3.472 1.00 65.24 C ATOM 920 CZ TYR A 61 9.853 7.513 3.205 1.00 12.24 C ATOM 921 OH TYR A 61 9.112 8.036 4.243 1.00 1.13 O ATOM 0 H TYR A 61 11.521 7.787 -1.619 1.00 10.15 H new ATOM 0 HA TYR A 61 13.824 7.264 0.127 1.00 23.42 H new ATOM 0 HB2 TYR A 61 11.501 5.522 -0.813 1.00 2.52 H new ATOM 0 HB3 TYR A 61 12.732 5.017 0.328 1.00 2.52 H new ATOM 0 HD1 TYR A 61 9.824 7.274 -0.149 1.00 24.53 H new ATOM 0 HD2 TYR A 61 12.673 5.769 2.642 1.00 55.12 H new ATOM 0 HE1 TYR A 61 8.511 8.218 1.700 1.00 75.22 H new ATOM 0 HE2 TYR A 61 11.355 6.705 4.491 1.00 65.24 H new ATOM 0 HH TYR A 61 8.158 7.910 4.060 1.00 1.13 H new ATOM 931 N GLY A 62 14.062 6.783 -2.920 1.00 11.50 N ATOM 932 CA GLY A 62 14.865 6.234 -4.010 1.00 41.11 C ATOM 933 C GLY A 62 14.198 5.069 -4.744 1.00 1.15 C ATOM 934 O GLY A 62 14.883 4.204 -5.291 1.00 74.44 O ATOM 0 H GLY A 62 13.546 7.629 -3.160 1.00 11.50 H new ATOM 0 HA2 GLY A 62 15.079 7.027 -4.726 1.00 41.11 H new ATOM 0 HA3 GLY A 62 15.822 5.899 -3.610 1.00 41.11 H new ATOM 938 N TYR A 63 12.866 5.040 -4.756 1.00 32.51 N ATOM 939 CA TYR A 63 12.113 3.994 -5.468 1.00 30.51 C ATOM 940 C TYR A 63 11.447 4.523 -6.742 1.00 12.44 C ATOM 941 O TYR A 63 11.294 5.728 -6.923 1.00 15.21 O ATOM 942 CB TYR A 63 11.058 3.376 -4.545 1.00 15.10 C ATOM 943 CG TYR A 63 11.646 2.493 -3.464 1.00 51.14 C ATOM 944 CD1 TYR A 63 12.221 3.032 -2.320 1.00 54.21 C ATOM 945 CD2 TYR A 63 11.628 1.113 -3.601 1.00 14.02 C ATOM 946 CE1 TYR A 63 12.759 2.215 -1.344 1.00 75.44 C ATOM 947 CE2 TYR A 63 12.159 0.293 -2.633 1.00 70.03 C ATOM 948 CZ TYR A 63 12.724 0.846 -1.504 1.00 13.54 C ATOM 949 OH TYR A 63 13.260 0.030 -0.533 1.00 25.34 O ATOM 0 H TYR A 63 12.280 5.727 -4.282 1.00 32.51 H new ATOM 0 HA TYR A 63 12.830 3.229 -5.766 1.00 30.51 H new ATOM 0 HB2 TYR A 63 10.482 4.175 -4.078 1.00 15.10 H new ATOM 0 HB3 TYR A 63 10.361 2.789 -5.144 1.00 15.10 H new ATOM 0 HD1 TYR A 63 12.248 4.104 -2.192 1.00 54.21 H new ATOM 0 HD2 TYR A 63 11.189 0.674 -4.485 1.00 14.02 H new ATOM 0 HE1 TYR A 63 13.205 2.647 -0.460 1.00 75.44 H new ATOM 0 HE2 TYR A 63 12.133 -0.780 -2.757 1.00 70.03 H new ATOM 0 HH TYR A 63 13.154 -0.907 -0.798 1.00 25.34 H new ATOM 959 N LYS A 64 11.049 3.608 -7.622 1.00 24.32 N ATOM 960 CA LYS A 64 10.418 3.976 -8.897 1.00 51.33 C ATOM 961 C LYS A 64 8.951 4.410 -8.699 1.00 42.42 C ATOM 962 O LYS A 64 8.473 5.355 -9.336 1.00 61.11 O ATOM 963 CB LYS A 64 10.474 2.782 -9.863 1.00 22.14 C ATOM 964 CG LYS A 64 11.861 2.150 -10.004 1.00 12.31 C ATOM 965 CD LYS A 64 12.892 3.122 -10.570 1.00 61.44 C ATOM 966 CE LYS A 64 12.536 3.572 -11.981 1.00 13.31 C ATOM 967 NZ LYS A 64 13.584 4.453 -12.557 1.00 62.31 N ATOM 0 H LYS A 64 11.150 2.603 -7.480 1.00 24.32 H new ATOM 0 HA LYS A 64 10.967 4.821 -9.313 1.00 51.33 H new ATOM 0 HB2 LYS A 64 9.774 2.020 -9.521 1.00 22.14 H new ATOM 0 HB3 LYS A 64 10.135 3.109 -10.846 1.00 22.14 H new ATOM 0 HG2 LYS A 64 12.196 1.797 -9.029 1.00 12.31 H new ATOM 0 HG3 LYS A 64 11.795 1.277 -10.654 1.00 12.31 H new ATOM 0 HD2 LYS A 64 12.965 3.993 -9.919 1.00 61.44 H new ATOM 0 HD3 LYS A 64 13.873 2.647 -10.577 1.00 61.44 H new ATOM 0 HE2 LYS A 64 12.404 2.698 -12.619 1.00 13.31 H new ATOM 0 HE3 LYS A 64 11.584 4.102 -11.965 1.00 13.31 H new ATOM 0 HZ1 LYS A 64 13.307 4.739 -13.518 1.00 62.31 H new ATOM 0 HZ2 LYS A 64 13.692 5.299 -11.961 1.00 62.31 H new ATOM 0 HZ3 LYS A 64 14.487 3.939 -12.596 1.00 62.31 H new ATOM 981 N LYS A 65 8.248 3.704 -7.813 1.00 33.23 N ATOM 982 CA LYS A 65 6.825 3.952 -7.548 1.00 63.15 C ATOM 983 C LYS A 65 6.408 3.351 -6.196 1.00 70.31 C ATOM 984 O LYS A 65 7.146 2.550 -5.613 1.00 61.33 O ATOM 985 CB LYS A 65 5.972 3.358 -8.679 1.00 22.04 C ATOM 986 CG LYS A 65 6.243 1.877 -8.931 1.00 42.11 C ATOM 987 CD LYS A 65 5.457 1.345 -10.126 1.00 4.44 C ATOM 988 CE LYS A 65 5.781 -0.119 -10.407 1.00 12.20 C ATOM 989 NZ LYS A 65 4.998 -0.654 -11.551 1.00 52.35 N ATOM 0 H LYS A 65 8.645 2.945 -7.259 1.00 33.23 H new ATOM 0 HA LYS A 65 6.663 5.029 -7.506 1.00 63.15 H new ATOM 0 HB2 LYS A 65 4.918 3.490 -8.436 1.00 22.04 H new ATOM 0 HB3 LYS A 65 6.160 3.915 -9.597 1.00 22.04 H new ATOM 0 HG2 LYS A 65 7.309 1.728 -9.103 1.00 42.11 H new ATOM 0 HG3 LYS A 65 5.981 1.304 -8.041 1.00 42.11 H new ATOM 0 HD2 LYS A 65 4.389 1.451 -9.936 1.00 4.44 H new ATOM 0 HD3 LYS A 65 5.685 1.944 -11.008 1.00 4.44 H new ATOM 0 HE2 LYS A 65 6.846 -0.220 -10.618 1.00 12.20 H new ATOM 0 HE3 LYS A 65 5.574 -0.713 -9.517 1.00 12.20 H new ATOM 0 HZ1 LYS A 65 5.249 -1.651 -11.707 1.00 52.35 H new ATOM 0 HZ2 LYS A 65 3.982 -0.582 -11.340 1.00 52.35 H new ATOM 0 HZ3 LYS A 65 5.214 -0.104 -12.407 1.00 52.35 H new ATOM 1003 N LEU A 66 5.225 3.731 -5.702 1.00 11.14 N ATOM 1004 CA LEU A 66 4.748 3.279 -4.382 1.00 5.55 C ATOM 1005 C LEU A 66 4.811 1.747 -4.227 1.00 11.44 C ATOM 1006 O LEU A 66 5.302 1.240 -3.219 1.00 42.55 O ATOM 1007 CB LEU A 66 3.314 3.764 -4.130 1.00 22.41 C ATOM 1008 CG LEU A 66 2.706 3.350 -2.775 1.00 4.53 C ATOM 1009 CD1 LEU A 66 3.545 3.888 -1.616 1.00 4.41 C ATOM 1010 CD2 LEU A 66 1.255 3.822 -2.667 1.00 33.40 C ATOM 0 H LEU A 66 4.578 4.349 -6.192 1.00 11.14 H new ATOM 0 HA LEU A 66 5.418 3.716 -3.641 1.00 5.55 H new ATOM 0 HB2 LEU A 66 3.299 4.852 -4.199 1.00 22.41 H new ATOM 0 HB3 LEU A 66 2.675 3.385 -4.927 1.00 22.41 H new ATOM 0 HG LEU A 66 2.712 2.262 -2.716 1.00 4.53 H new ATOM 0 HD11 LEU A 66 3.097 3.583 -0.670 1.00 4.41 H new ATOM 0 HD12 LEU A 66 4.557 3.489 -1.683 1.00 4.41 H new ATOM 0 HD13 LEU A 66 3.580 4.976 -1.667 1.00 4.41 H new ATOM 0 HD21 LEU A 66 0.845 3.520 -1.703 1.00 33.40 H new ATOM 0 HD22 LEU A 66 1.218 4.908 -2.752 1.00 33.40 H new ATOM 0 HD23 LEU A 66 0.666 3.375 -3.468 1.00 33.40 H new ATOM 1022 N SER A 67 4.316 1.017 -5.226 1.00 73.12 N ATOM 1023 CA SER A 67 4.320 -0.454 -5.182 1.00 25.41 C ATOM 1024 C SER A 67 5.742 -1.010 -5.019 1.00 10.24 C ATOM 1025 O SER A 67 5.966 -1.935 -4.240 1.00 52.43 O ATOM 1026 CB SER A 67 3.684 -1.031 -6.452 1.00 60.41 C ATOM 1027 OG SER A 67 4.365 -0.585 -7.613 1.00 22.24 O ATOM 0 H SER A 67 3.908 1.413 -6.073 1.00 73.12 H new ATOM 0 HA SER A 67 3.733 -0.755 -4.314 1.00 25.41 H new ATOM 0 HB2 SER A 67 3.705 -2.120 -6.410 1.00 60.41 H new ATOM 0 HB3 SER A 67 2.636 -0.734 -6.505 1.00 60.41 H new ATOM 0 HG SER A 67 3.736 -0.539 -8.363 1.00 22.24 H new ATOM 1033 N ASP A 68 6.695 -0.433 -5.753 1.00 43.22 N ATOM 1034 CA ASP A 68 8.109 -0.832 -5.665 1.00 44.23 C ATOM 1035 C ASP A 68 8.619 -0.700 -4.217 1.00 60.22 C ATOM 1036 O ASP A 68 9.385 -1.532 -3.730 1.00 64.41 O ATOM 1037 CB ASP A 68 8.950 0.046 -6.605 1.00 42.34 C ATOM 1038 CG ASP A 68 10.372 -0.456 -6.797 1.00 11.22 C ATOM 1039 OD1 ASP A 68 10.547 -1.652 -7.118 1.00 34.24 O ATOM 1040 OD2 ASP A 68 11.322 0.352 -6.674 1.00 33.02 O ATOM 0 H ASP A 68 6.516 0.317 -6.420 1.00 43.22 H new ATOM 0 HA ASP A 68 8.202 -1.875 -5.967 1.00 44.23 H new ATOM 0 HB2 ASP A 68 8.458 0.099 -7.576 1.00 42.34 H new ATOM 0 HB3 ASP A 68 8.982 1.061 -6.209 1.00 42.34 H new ATOM 1045 N LEU A 69 8.173 0.358 -3.542 1.00 35.35 N ATOM 1046 CA LEU A 69 8.511 0.595 -2.133 1.00 21.23 C ATOM 1047 C LEU A 69 7.880 -0.465 -1.216 1.00 71.53 C ATOM 1048 O LEU A 69 8.569 -1.099 -0.413 1.00 13.42 O ATOM 1049 CB LEU A 69 8.040 2.001 -1.717 1.00 3.55 C ATOM 1050 CG LEU A 69 8.194 2.349 -0.224 1.00 63.41 C ATOM 1051 CD1 LEU A 69 9.661 2.335 0.191 1.00 54.54 C ATOM 1052 CD2 LEU A 69 7.559 3.705 0.080 1.00 72.32 C ATOM 0 H LEU A 69 7.571 1.073 -3.950 1.00 35.35 H new ATOM 0 HA LEU A 69 9.593 0.524 -2.027 1.00 21.23 H new ATOM 0 HB2 LEU A 69 8.595 2.736 -2.300 1.00 3.55 H new ATOM 0 HB3 LEU A 69 6.989 2.106 -1.988 1.00 3.55 H new ATOM 0 HG LEU A 69 7.673 1.588 0.357 1.00 63.41 H new ATOM 0 HD11 LEU A 69 9.742 2.584 1.249 1.00 54.54 H new ATOM 0 HD12 LEU A 69 10.078 1.343 0.018 1.00 54.54 H new ATOM 0 HD13 LEU A 69 10.213 3.068 -0.397 1.00 54.54 H new ATOM 0 HD21 LEU A 69 7.678 3.933 1.139 1.00 72.32 H new ATOM 0 HD22 LEU A 69 8.047 4.477 -0.515 1.00 72.32 H new ATOM 0 HD23 LEU A 69 6.498 3.674 -0.167 1.00 72.32 H new ATOM 1064 N VAL A 70 6.569 -0.651 -1.350 1.00 63.20 N ATOM 1065 CA VAL A 70 5.816 -1.580 -0.494 1.00 63.32 C ATOM 1066 C VAL A 70 6.340 -3.026 -0.591 1.00 50.20 C ATOM 1067 O VAL A 70 6.633 -3.657 0.425 1.00 21.11 O ATOM 1068 CB VAL A 70 4.301 -1.555 -0.832 1.00 5.41 C ATOM 1069 CG1 VAL A 70 3.526 -2.515 0.069 1.00 0.13 C ATOM 1070 CG2 VAL A 70 3.745 -0.134 -0.716 1.00 60.32 C ATOM 0 H VAL A 70 5.999 -0.170 -2.046 1.00 63.20 H new ATOM 0 HA VAL A 70 5.963 -1.235 0.530 1.00 63.32 H new ATOM 0 HB VAL A 70 4.178 -1.887 -1.863 1.00 5.41 H new ATOM 0 HG11 VAL A 70 2.467 -2.480 -0.187 1.00 0.13 H new ATOM 0 HG12 VAL A 70 3.900 -3.529 -0.073 1.00 0.13 H new ATOM 0 HG13 VAL A 70 3.657 -2.222 1.111 1.00 0.13 H new ATOM 0 HG21 VAL A 70 2.682 -0.138 -0.957 1.00 60.32 H new ATOM 0 HG22 VAL A 70 3.885 0.229 0.302 1.00 60.32 H new ATOM 0 HG23 VAL A 70 4.272 0.521 -1.410 1.00 60.32 H new ATOM 1080 N LYS A 71 6.472 -3.542 -1.814 1.00 2.20 N ATOM 1081 CA LYS A 71 6.926 -4.928 -2.023 1.00 14.13 C ATOM 1082 C LYS A 71 8.356 -5.147 -1.506 1.00 61.11 C ATOM 1083 O LYS A 71 8.738 -6.266 -1.165 1.00 22.42 O ATOM 1084 CB LYS A 71 6.840 -5.308 -3.510 1.00 3.02 C ATOM 1085 CG LYS A 71 7.697 -4.443 -4.433 1.00 3.34 C ATOM 1086 CD LYS A 71 7.546 -4.845 -5.904 1.00 75.25 C ATOM 1087 CE LYS A 71 8.446 -6.019 -6.295 1.00 60.42 C ATOM 1088 NZ LYS A 71 8.216 -7.222 -5.453 1.00 22.14 N ATOM 0 H LYS A 71 6.274 -3.029 -2.673 1.00 2.20 H new ATOM 0 HA LYS A 71 6.261 -5.574 -1.450 1.00 14.13 H new ATOM 0 HB2 LYS A 71 7.142 -6.349 -3.624 1.00 3.02 H new ATOM 0 HB3 LYS A 71 5.800 -5.240 -3.830 1.00 3.02 H new ATOM 0 HG2 LYS A 71 7.416 -3.397 -4.313 1.00 3.34 H new ATOM 0 HG3 LYS A 71 8.743 -4.528 -4.140 1.00 3.34 H new ATOM 0 HD2 LYS A 71 6.507 -5.110 -6.098 1.00 75.25 H new ATOM 0 HD3 LYS A 71 7.780 -3.988 -6.536 1.00 75.25 H new ATOM 0 HE2 LYS A 71 8.271 -6.273 -7.340 1.00 60.42 H new ATOM 0 HE3 LYS A 71 9.490 -5.716 -6.211 1.00 60.42 H new ATOM 0 HZ1 LYS A 71 8.561 -8.067 -5.953 1.00 22.14 H new ATOM 0 HZ2 LYS A 71 8.728 -7.119 -4.553 1.00 22.14 H new ATOM 0 HZ3 LYS A 71 7.199 -7.323 -5.263 1.00 22.14 H new ATOM 1102 N ALA A 72 9.146 -4.076 -1.459 1.00 5.22 N ATOM 1103 CA ALA A 72 10.516 -4.145 -0.941 1.00 35.32 C ATOM 1104 C ALA A 72 10.539 -4.170 0.594 1.00 72.33 C ATOM 1105 O ALA A 72 11.350 -4.867 1.207 1.00 11.05 O ATOM 1106 CB ALA A 72 11.331 -2.969 -1.463 1.00 32.30 C ATOM 0 H ALA A 72 8.863 -3.148 -1.773 1.00 5.22 H new ATOM 0 HA ALA A 72 10.961 -5.076 -1.293 1.00 35.32 H new ATOM 0 HB1 ALA A 72 12.347 -3.029 -1.073 1.00 32.30 H new ATOM 0 HB2 ALA A 72 11.358 -3.000 -2.552 1.00 32.30 H new ATOM 0 HB3 ALA A 72 10.872 -2.035 -1.138 1.00 32.30 H new ATOM 1112 N ARG A 73 9.638 -3.409 1.211 1.00 2.35 N ATOM 1113 CA ARG A 73 9.579 -3.308 2.674 1.00 25.10 C ATOM 1114 C ARG A 73 8.601 -4.337 3.270 1.00 41.43 C ATOM 1115 O ARG A 73 7.704 -3.990 4.042 1.00 5.11 O ATOM 1116 CB ARG A 73 9.183 -1.878 3.080 1.00 4.51 C ATOM 1117 CG ARG A 73 10.101 -0.805 2.490 1.00 75.32 C ATOM 1118 CD ARG A 73 11.545 -0.956 2.965 1.00 12.25 C ATOM 1119 NE ARG A 73 12.478 -0.198 2.132 1.00 32.23 N ATOM 1120 CZ ARG A 73 13.511 0.463 2.581 1.00 33.14 C ATOM 1121 NH1 ARG A 73 13.753 0.547 3.850 1.00 31.25 N ATOM 1122 NH2 ARG A 73 14.298 1.050 1.743 1.00 2.24 N ATOM 0 H ARG A 73 8.937 -2.851 0.723 1.00 2.35 H new ATOM 0 HA ARG A 73 10.568 -3.531 3.075 1.00 25.10 H new ATOM 0 HB2 ARG A 73 8.159 -1.687 2.759 1.00 4.51 H new ATOM 0 HB3 ARG A 73 9.196 -1.800 4.167 1.00 4.51 H new ATOM 0 HG2 ARG A 73 10.071 -0.861 1.402 1.00 75.32 H new ATOM 0 HG3 ARG A 73 9.730 0.181 2.769 1.00 75.32 H new ATOM 0 HD2 ARG A 73 11.624 -0.617 3.998 1.00 12.25 H new ATOM 0 HD3 ARG A 73 11.822 -2.010 2.953 1.00 12.25 H new ATOM 0 HE ARG A 73 12.309 -0.185 1.126 1.00 32.23 H new ATOM 0 HH11 ARG A 73 13.132 0.092 4.519 1.00 31.25 H new ATOM 0 HH12 ARG A 73 14.565 1.068 4.181 1.00 31.25 H new ATOM 0 HH21 ARG A 73 14.110 0.995 0.742 1.00 2.24 H new ATOM 0 HH22 ARG A 73 15.108 1.569 2.082 1.00 2.24 H new ATOM 1136 N THR A 74 8.805 -5.610 2.922 1.00 35.41 N ATOM 1137 CA THR A 74 7.957 -6.711 3.419 1.00 42.22 C ATOM 1138 C THR A 74 8.006 -6.842 4.949 1.00 42.34 C ATOM 1139 O THR A 74 7.139 -7.474 5.558 1.00 23.11 O ATOM 1140 CB THR A 74 8.371 -8.067 2.804 1.00 23.20 C ATOM 1141 OG1 THR A 74 9.755 -8.336 3.083 1.00 20.42 O ATOM 1142 CG2 THR A 74 8.140 -8.079 1.299 1.00 43.50 C ATOM 0 H THR A 74 9.552 -5.911 2.296 1.00 35.41 H new ATOM 0 HA THR A 74 6.941 -6.459 3.115 1.00 42.22 H new ATOM 0 HB THR A 74 7.753 -8.843 3.255 1.00 23.20 H new ATOM 0 HG1 THR A 74 10.006 -9.198 2.690 1.00 20.42 H new ATOM 0 HG21 THR A 74 8.440 -9.045 0.893 1.00 43.50 H new ATOM 0 HG22 THR A 74 7.083 -7.910 1.092 1.00 43.50 H new ATOM 0 HG23 THR A 74 8.731 -7.290 0.834 1.00 43.50 H new ATOM 1150 N ASP A 75 9.032 -6.261 5.565 1.00 21.43 N ATOM 1151 CA ASP A 75 9.156 -6.245 7.027 1.00 33.13 C ATOM 1152 C ASP A 75 8.107 -5.310 7.661 1.00 40.50 C ATOM 1153 O ASP A 75 7.791 -5.414 8.850 1.00 45.25 O ATOM 1154 CB ASP A 75 10.579 -5.819 7.416 1.00 42.25 C ATOM 1155 CG ASP A 75 10.835 -5.897 8.911 1.00 10.15 C ATOM 1156 OD1 ASP A 75 10.727 -7.000 9.483 1.00 4.24 O ATOM 1157 OD2 ASP A 75 11.161 -4.855 9.521 1.00 34.42 O ATOM 0 H ASP A 75 9.794 -5.792 5.076 1.00 21.43 H new ATOM 0 HA ASP A 75 8.970 -7.249 7.409 1.00 33.13 H new ATOM 0 HB2 ASP A 75 11.297 -6.454 6.897 1.00 42.25 H new ATOM 0 HB3 ASP A 75 10.752 -4.798 7.076 1.00 42.25 H new ATOM 1162 N LEU A 76 7.568 -4.400 6.848 1.00 14.23 N ATOM 1163 CA LEU A 76 6.503 -3.482 7.272 1.00 12.24 C ATOM 1164 C LEU A 76 5.134 -3.935 6.736 1.00 13.32 C ATOM 1165 O LEU A 76 4.166 -4.076 7.490 1.00 53.21 O ATOM 1166 CB LEU A 76 6.798 -2.063 6.756 1.00 34.45 C ATOM 1167 CG LEU A 76 8.070 -1.406 7.312 1.00 5.14 C ATOM 1168 CD1 LEU A 76 8.337 -0.066 6.623 1.00 21.44 C ATOM 1169 CD2 LEU A 76 7.957 -1.225 8.822 1.00 15.13 C ATOM 0 H LEU A 76 7.855 -4.277 5.877 1.00 14.23 H new ATOM 0 HA LEU A 76 6.473 -3.485 8.362 1.00 12.24 H new ATOM 0 HB2 LEU A 76 6.875 -2.100 5.669 1.00 34.45 H new ATOM 0 HB3 LEU A 76 5.947 -1.425 6.994 1.00 34.45 H new ATOM 0 HG LEU A 76 8.915 -2.063 7.106 1.00 5.14 H new ATOM 0 HD11 LEU A 76 9.243 0.380 7.034 1.00 21.44 H new ATOM 0 HD12 LEU A 76 8.465 -0.226 5.552 1.00 21.44 H new ATOM 0 HD13 LEU A 76 7.494 0.604 6.792 1.00 21.44 H new ATOM 0 HD21 LEU A 76 8.866 -0.758 9.202 1.00 15.13 H new ATOM 0 HD22 LEU A 76 7.101 -0.590 9.049 1.00 15.13 H new ATOM 0 HD23 LEU A 76 7.823 -2.197 9.296 1.00 15.13 H new ATOM 1181 N PHE A 77 5.068 -4.165 5.424 1.00 15.53 N ATOM 1182 CA PHE A 77 3.800 -4.460 4.742 1.00 4.43 C ATOM 1183 C PHE A 77 3.792 -5.881 4.152 1.00 5.13 C ATOM 1184 O PHE A 77 4.803 -6.354 3.632 1.00 72.44 O ATOM 1185 CB PHE A 77 3.567 -3.439 3.614 1.00 3.54 C ATOM 1186 CG PHE A 77 3.764 -2.005 4.042 1.00 23.43 C ATOM 1187 CD1 PHE A 77 2.967 -1.444 5.027 1.00 10.01 C ATOM 1188 CD2 PHE A 77 4.759 -1.224 3.466 1.00 45.04 C ATOM 1189 CE1 PHE A 77 3.160 -0.136 5.430 1.00 75.24 C ATOM 1190 CE2 PHE A 77 4.951 0.084 3.864 1.00 43.15 C ATOM 1191 CZ PHE A 77 4.153 0.627 4.847 1.00 3.12 C ATOM 0 H PHE A 77 5.880 -4.153 4.807 1.00 15.53 H new ATOM 0 HA PHE A 77 3.001 -4.393 5.480 1.00 4.43 H new ATOM 0 HB2 PHE A 77 4.246 -3.660 2.791 1.00 3.54 H new ATOM 0 HB3 PHE A 77 2.553 -3.559 3.232 1.00 3.54 H new ATOM 0 HD1 PHE A 77 2.187 -2.035 5.484 1.00 10.01 H new ATOM 0 HD2 PHE A 77 5.390 -1.646 2.697 1.00 45.04 H new ATOM 0 HE1 PHE A 77 2.534 0.289 6.201 1.00 75.24 H new ATOM 0 HE2 PHE A 77 5.726 0.681 3.405 1.00 43.15 H new ATOM 0 HZ PHE A 77 4.304 1.649 5.162 1.00 3.12 H new ATOM 1201 N VAL A 78 2.648 -6.555 4.241 1.00 61.30 N ATOM 1202 CA VAL A 78 2.459 -7.866 3.603 1.00 55.13 C ATOM 1203 C VAL A 78 1.827 -7.693 2.212 1.00 72.14 C ATOM 1204 O VAL A 78 0.748 -7.111 2.084 1.00 31.52 O ATOM 1205 CB VAL A 78 1.555 -8.791 4.460 1.00 62.51 C ATOM 1206 CG1 VAL A 78 1.429 -10.176 3.824 1.00 32.35 C ATOM 1207 CG2 VAL A 78 2.083 -8.896 5.888 1.00 15.24 C ATOM 0 H VAL A 78 1.831 -6.217 4.750 1.00 61.30 H new ATOM 0 HA VAL A 78 3.441 -8.329 3.510 1.00 55.13 H new ATOM 0 HB VAL A 78 0.561 -8.346 4.498 1.00 62.51 H new ATOM 0 HG11 VAL A 78 0.790 -10.805 4.445 1.00 32.35 H new ATOM 0 HG12 VAL A 78 0.990 -10.082 2.831 1.00 32.35 H new ATOM 0 HG13 VAL A 78 2.416 -10.630 3.743 1.00 32.35 H new ATOM 0 HG21 VAL A 78 1.433 -9.550 6.469 1.00 15.24 H new ATOM 0 HG22 VAL A 78 3.092 -9.308 5.873 1.00 15.24 H new ATOM 0 HG23 VAL A 78 2.102 -7.906 6.343 1.00 15.24 H new ATOM 1217 N THR A 79 2.496 -8.203 1.175 1.00 22.13 N ATOM 1218 CA THR A 79 2.042 -7.998 -0.211 1.00 71.43 C ATOM 1219 C THR A 79 1.651 -9.313 -0.893 1.00 35.55 C ATOM 1220 O THR A 79 2.444 -10.253 -0.934 1.00 63.21 O ATOM 1221 CB THR A 79 3.158 -7.334 -1.065 1.00 23.14 C ATOM 1222 OG1 THR A 79 4.275 -8.230 -1.227 1.00 74.52 O ATOM 1223 CG2 THR A 79 3.646 -6.045 -0.417 1.00 12.05 C ATOM 0 H THR A 79 3.348 -8.757 1.263 1.00 22.13 H new ATOM 0 HA THR A 79 1.167 -7.351 -0.150 1.00 71.43 H new ATOM 0 HB THR A 79 2.731 -7.105 -2.041 1.00 23.14 H new ATOM 0 HG1 THR A 79 3.959 -9.157 -1.187 1.00 74.52 H new ATOM 0 HG21 THR A 79 4.427 -5.600 -1.034 1.00 12.05 H new ATOM 0 HG22 THR A 79 2.814 -5.347 -0.325 1.00 12.05 H new ATOM 0 HG23 THR A 79 4.047 -6.264 0.573 1.00 12.05 H new ATOM 1231 N GLU A 80 0.441 -9.357 -1.458 1.00 75.51 N ATOM 1232 CA GLU A 80 -0.011 -10.499 -2.272 1.00 64.43 C ATOM 1233 C GLU A 80 -1.026 -10.045 -3.335 1.00 54.02 C ATOM 1234 O GLU A 80 -1.961 -9.298 -3.040 1.00 40.14 O ATOM 1235 CB GLU A 80 -0.637 -11.616 -1.407 1.00 63.52 C ATOM 1236 CG GLU A 80 0.323 -12.252 -0.403 1.00 40.32 C ATOM 1237 CD GLU A 80 -0.233 -13.510 0.247 1.00 21.31 C ATOM 1238 OE1 GLU A 80 -1.296 -13.439 0.895 1.00 62.42 O ATOM 1239 OE2 GLU A 80 0.403 -14.580 0.119 1.00 33.42 O ATOM 0 H GLU A 80 -0.250 -8.612 -1.368 1.00 75.51 H new ATOM 0 HA GLU A 80 0.874 -10.904 -2.763 1.00 64.43 H new ATOM 0 HB2 GLU A 80 -1.489 -11.205 -0.866 1.00 63.52 H new ATOM 0 HB3 GLU A 80 -1.023 -12.395 -2.065 1.00 63.52 H new ATOM 0 HG2 GLU A 80 1.258 -12.495 -0.908 1.00 40.32 H new ATOM 0 HG3 GLU A 80 0.560 -11.525 0.373 1.00 40.32 H new ATOM 1246 N GLU A 81 -0.842 -10.498 -4.572 1.00 70.44 N ATOM 1247 CA GLU A 81 -1.746 -10.135 -5.667 1.00 62.23 C ATOM 1248 C GLU A 81 -2.920 -11.116 -5.775 1.00 23.21 C ATOM 1249 O GLU A 81 -2.727 -12.331 -5.823 1.00 64.23 O ATOM 1250 CB GLU A 81 -0.995 -10.109 -7.002 1.00 52.13 C ATOM 1251 CG GLU A 81 0.120 -9.074 -7.086 1.00 32.42 C ATOM 1252 CD GLU A 81 0.748 -9.022 -8.471 1.00 42.52 C ATOM 1253 OE1 GLU A 81 1.661 -9.832 -8.746 1.00 10.44 O ATOM 1254 OE2 GLU A 81 0.314 -8.193 -9.298 1.00 34.10 O ATOM 0 H GLU A 81 -0.078 -11.116 -4.844 1.00 70.44 H new ATOM 0 HA GLU A 81 -2.136 -9.142 -5.445 1.00 62.23 H new ATOM 0 HB2 GLU A 81 -0.570 -11.096 -7.183 1.00 52.13 H new ATOM 0 HB3 GLU A 81 -1.710 -9.918 -7.802 1.00 52.13 H new ATOM 0 HG2 GLU A 81 -0.278 -8.092 -6.831 1.00 32.42 H new ATOM 0 HG3 GLU A 81 0.888 -9.308 -6.349 1.00 32.42 H new ATOM 1261 N ARG A 82 -4.132 -10.579 -5.818 1.00 24.10 N ATOM 1262 CA ARG A 82 -5.338 -11.386 -6.016 1.00 20.21 C ATOM 1263 C ARG A 82 -6.036 -10.983 -7.325 1.00 30.23 C ATOM 1264 O ARG A 82 -6.209 -9.795 -7.604 1.00 51.32 O ATOM 1265 CB ARG A 82 -6.294 -11.203 -4.830 1.00 43.45 C ATOM 1266 CG ARG A 82 -5.652 -11.461 -3.469 1.00 4.23 C ATOM 1267 CD ARG A 82 -5.232 -12.917 -3.297 1.00 4.02 C ATOM 1268 NE ARG A 82 -6.384 -13.812 -3.261 1.00 2.35 N ATOM 1269 CZ ARG A 82 -6.304 -15.112 -3.204 1.00 74.25 C ATOM 1270 NH1 ARG A 82 -5.158 -15.709 -3.195 1.00 0.32 N ATOM 1271 NH2 ARG A 82 -7.382 -15.815 -3.147 1.00 54.04 N ATOM 0 H ARG A 82 -4.311 -9.580 -5.718 1.00 24.10 H new ATOM 0 HA ARG A 82 -5.052 -12.436 -6.080 1.00 20.21 H new ATOM 0 HB2 ARG A 82 -6.688 -10.187 -4.848 1.00 43.45 H new ATOM 0 HB3 ARG A 82 -7.143 -11.876 -4.953 1.00 43.45 H new ATOM 0 HG2 ARG A 82 -4.780 -10.817 -3.352 1.00 4.23 H new ATOM 0 HG3 ARG A 82 -6.355 -11.192 -2.681 1.00 4.23 H new ATOM 0 HD2 ARG A 82 -4.574 -13.205 -4.117 1.00 4.02 H new ATOM 0 HD3 ARG A 82 -4.660 -13.024 -2.376 1.00 4.02 H new ATOM 0 HE ARG A 82 -7.314 -13.393 -3.282 1.00 2.35 H new ATOM 0 HH11 ARG A 82 -4.298 -15.162 -3.233 1.00 0.32 H new ATOM 0 HH12 ARG A 82 -5.114 -16.727 -3.150 1.00 0.32 H new ATOM 0 HH21 ARG A 82 -8.292 -15.354 -3.147 1.00 54.04 H new ATOM 0 HH22 ARG A 82 -7.326 -16.832 -3.102 1.00 54.04 H new ATOM 1285 N GLN A 83 -6.430 -11.966 -8.131 1.00 23.11 N ATOM 1286 CA GLN A 83 -7.070 -11.691 -9.422 1.00 53.43 C ATOM 1287 C GLN A 83 -8.558 -11.350 -9.234 1.00 52.15 C ATOM 1288 O GLN A 83 -9.280 -12.043 -8.515 1.00 53.12 O ATOM 1289 CB GLN A 83 -6.908 -12.898 -10.357 1.00 55.44 C ATOM 1290 CG GLN A 83 -7.376 -12.638 -11.788 1.00 3.32 C ATOM 1291 CD GLN A 83 -7.185 -13.839 -12.697 1.00 33.43 C ATOM 1292 OE1 GLN A 83 -6.145 -14.001 -13.327 1.00 22.22 O ATOM 1293 NE2 GLN A 83 -8.183 -14.693 -12.765 1.00 24.11 N ATOM 0 H GLN A 83 -6.320 -12.957 -7.917 1.00 23.11 H new ATOM 0 HA GLN A 83 -6.581 -10.828 -9.874 1.00 53.43 H new ATOM 0 HB2 GLN A 83 -5.859 -13.193 -10.376 1.00 55.44 H new ATOM 0 HB3 GLN A 83 -7.468 -13.739 -9.949 1.00 55.44 H new ATOM 0 HG2 GLN A 83 -8.430 -12.361 -11.776 1.00 3.32 H new ATOM 0 HG3 GLN A 83 -6.828 -11.789 -12.196 1.00 3.32 H new ATOM 0 HE21 GLN A 83 -9.034 -14.527 -12.227 1.00 24.11 H new ATOM 0 HE22 GLN A 83 -8.106 -15.521 -13.355 1.00 24.11 H new ATOM 1302 N VAL A 84 -9.017 -10.292 -9.898 1.00 45.40 N ATOM 1303 CA VAL A 84 -10.378 -9.781 -9.694 1.00 65.35 C ATOM 1304 C VAL A 84 -11.392 -10.460 -10.638 1.00 12.43 C ATOM 1305 O VAL A 84 -11.244 -10.405 -11.861 1.00 53.24 O ATOM 1306 CB VAL A 84 -10.419 -8.247 -9.913 1.00 74.15 C ATOM 1307 CG1 VAL A 84 -11.802 -7.678 -9.596 1.00 43.32 C ATOM 1308 CG2 VAL A 84 -9.342 -7.554 -9.076 1.00 31.14 C ATOM 0 H VAL A 84 -8.470 -9.769 -10.582 1.00 45.40 H new ATOM 0 HA VAL A 84 -10.658 -10.013 -8.667 1.00 65.35 H new ATOM 0 HB VAL A 84 -10.214 -8.054 -10.966 1.00 74.15 H new ATOM 0 HG11 VAL A 84 -11.798 -6.600 -9.759 1.00 43.32 H new ATOM 0 HG12 VAL A 84 -12.544 -8.141 -10.247 1.00 43.32 H new ATOM 0 HG13 VAL A 84 -12.051 -7.886 -8.556 1.00 43.32 H new ATOM 0 HG21 VAL A 84 -9.387 -6.478 -9.244 1.00 31.14 H new ATOM 0 HG22 VAL A 84 -9.511 -7.764 -8.020 1.00 31.14 H new ATOM 0 HG23 VAL A 84 -8.360 -7.926 -9.367 1.00 31.14 H new ATOM 1318 N PRO A 85 -12.434 -11.120 -10.079 1.00 14.20 N ATOM 1319 CA PRO A 85 -13.484 -11.785 -10.882 1.00 24.12 C ATOM 1320 C PRO A 85 -14.170 -10.833 -11.880 1.00 44.43 C ATOM 1321 O PRO A 85 -14.616 -9.744 -11.510 1.00 24.30 O ATOM 1322 CB PRO A 85 -14.485 -12.276 -9.822 1.00 34.22 C ATOM 1323 CG PRO A 85 -13.680 -12.394 -8.570 1.00 60.23 C ATOM 1324 CD PRO A 85 -12.671 -11.278 -8.630 1.00 1.35 C ATOM 0 HA PRO A 85 -13.073 -12.581 -11.503 1.00 24.12 H new ATOM 0 HB2 PRO A 85 -15.309 -11.573 -9.699 1.00 34.22 H new ATOM 0 HB3 PRO A 85 -14.923 -13.234 -10.104 1.00 34.22 H new ATOM 0 HG2 PRO A 85 -14.313 -12.303 -7.687 1.00 60.23 H new ATOM 0 HG3 PRO A 85 -13.188 -13.365 -8.511 1.00 60.23 H new ATOM 0 HD2 PRO A 85 -13.056 -10.362 -8.182 1.00 1.35 H new ATOM 0 HD3 PRO A 85 -11.755 -11.533 -8.097 1.00 1.35 H new ATOM 1332 N GLY A 86 -14.262 -11.254 -13.143 1.00 42.00 N ATOM 1333 CA GLY A 86 -14.822 -10.393 -14.181 1.00 33.32 C ATOM 1334 C GLY A 86 -13.823 -9.359 -14.700 1.00 13.13 C ATOM 1335 O GLY A 86 -14.204 -8.387 -15.355 1.00 3.14 O ATOM 0 H GLY A 86 -13.960 -12.173 -13.467 1.00 42.00 H new ATOM 0 HA2 GLY A 86 -15.163 -11.010 -15.012 1.00 33.32 H new ATOM 0 HA3 GLY A 86 -15.698 -9.878 -13.785 1.00 33.32 H new ATOM 1339 N SER A 87 -12.541 -9.559 -14.389 1.00 31.24 N ATOM 1340 CA SER A 87 -11.465 -8.682 -14.877 1.00 31.14 C ATOM 1341 C SER A 87 -10.281 -9.504 -15.400 1.00 1.20 C ATOM 1342 O SER A 87 -10.038 -10.621 -14.941 1.00 3.52 O ATOM 1343 CB SER A 87 -10.983 -7.739 -13.759 1.00 30.43 C ATOM 1344 OG SER A 87 -12.017 -6.860 -13.338 1.00 31.41 O ATOM 0 H SER A 87 -12.217 -10.325 -13.798 1.00 31.24 H new ATOM 0 HA SER A 87 -11.870 -8.088 -15.696 1.00 31.14 H new ATOM 0 HB2 SER A 87 -10.636 -8.327 -12.910 1.00 30.43 H new ATOM 0 HB3 SER A 87 -10.132 -7.158 -14.113 1.00 30.43 H new ATOM 0 HG SER A 87 -11.680 -6.276 -12.627 1.00 31.41 H new ATOM 1350 N THR A 88 -9.551 -8.954 -16.367 1.00 45.20 N ATOM 1351 CA THR A 88 -8.358 -9.627 -16.902 1.00 12.53 C ATOM 1352 C THR A 88 -7.105 -9.266 -16.096 1.00 74.54 C ATOM 1353 O THR A 88 -6.101 -9.975 -16.134 1.00 44.21 O ATOM 1354 CB THR A 88 -8.114 -9.286 -18.394 1.00 70.41 C ATOM 1355 OG1 THR A 88 -6.943 -9.968 -18.870 1.00 14.50 O ATOM 1356 CG2 THR A 88 -7.947 -7.783 -18.603 1.00 32.22 C ATOM 0 H THR A 88 -9.757 -8.052 -16.797 1.00 45.20 H new ATOM 0 HA THR A 88 -8.550 -10.697 -16.816 1.00 12.53 H new ATOM 0 HB THR A 88 -8.987 -9.616 -18.957 1.00 70.41 H new ATOM 0 HG1 THR A 88 -6.310 -10.087 -18.131 1.00 14.50 H new ATOM 0 HG21 THR A 88 -7.778 -7.579 -19.660 1.00 32.22 H new ATOM 0 HG22 THR A 88 -8.849 -7.267 -18.274 1.00 32.22 H new ATOM 0 HG23 THR A 88 -7.095 -7.428 -18.024 1.00 32.22 H new ATOM 1364 N GLN A 89 -7.173 -8.161 -15.361 1.00 53.43 N ATOM 1365 CA GLN A 89 -6.045 -7.707 -14.541 1.00 73.55 C ATOM 1366 C GLN A 89 -6.090 -8.305 -13.125 1.00 31.41 C ATOM 1367 O GLN A 89 -7.144 -8.726 -12.641 1.00 74.33 O ATOM 1368 CB GLN A 89 -6.035 -6.175 -14.436 1.00 5.32 C ATOM 1369 CG GLN A 89 -7.196 -5.604 -13.625 1.00 25.44 C ATOM 1370 CD GLN A 89 -7.058 -4.114 -13.374 1.00 61.32 C ATOM 1371 OE1 GLN A 89 -6.472 -3.692 -12.381 1.00 73.15 O ATOM 1372 NE2 GLN A 89 -7.587 -3.305 -14.267 1.00 62.13 N ATOM 0 H GLN A 89 -7.996 -7.560 -15.313 1.00 53.43 H new ATOM 0 HA GLN A 89 -5.136 -8.050 -15.035 1.00 73.55 H new ATOM 0 HB2 GLN A 89 -5.096 -5.858 -13.982 1.00 5.32 H new ATOM 0 HB3 GLN A 89 -6.063 -5.751 -15.440 1.00 5.32 H new ATOM 0 HG2 GLN A 89 -8.131 -5.794 -14.153 1.00 25.44 H new ATOM 0 HG3 GLN A 89 -7.257 -6.125 -12.670 1.00 25.44 H new ATOM 0 HE21 GLN A 89 -8.067 -3.688 -15.081 1.00 62.13 H new ATOM 0 HE22 GLN A 89 -7.517 -2.295 -14.145 1.00 62.13 H new ATOM 1381 N LYS A 90 -4.939 -8.327 -12.462 1.00 42.12 N ATOM 1382 CA LYS A 90 -4.854 -8.758 -11.066 1.00 1.42 C ATOM 1383 C LYS A 90 -4.515 -7.566 -10.154 1.00 13.44 C ATOM 1384 O LYS A 90 -3.760 -6.670 -10.541 1.00 3.12 O ATOM 1385 CB LYS A 90 -3.808 -9.874 -10.923 1.00 31.41 C ATOM 1386 CG LYS A 90 -2.400 -9.484 -11.375 1.00 53.40 C ATOM 1387 CD LYS A 90 -1.471 -10.694 -11.440 1.00 1.44 C ATOM 1388 CE LYS A 90 -1.416 -11.437 -10.114 1.00 2.21 C ATOM 1389 NZ LYS A 90 -0.602 -12.676 -10.196 1.00 35.12 N ATOM 0 H LYS A 90 -4.046 -8.050 -12.869 1.00 42.12 H new ATOM 0 HA LYS A 90 -5.823 -9.152 -10.758 1.00 1.42 H new ATOM 0 HB2 LYS A 90 -3.768 -10.186 -9.879 1.00 31.41 H new ATOM 0 HB3 LYS A 90 -4.135 -10.738 -11.501 1.00 31.41 H new ATOM 0 HG2 LYS A 90 -2.451 -9.011 -12.356 1.00 53.40 H new ATOM 0 HG3 LYS A 90 -1.988 -8.746 -10.687 1.00 53.40 H new ATOM 0 HD2 LYS A 90 -1.812 -11.372 -12.222 1.00 1.44 H new ATOM 0 HD3 LYS A 90 -0.468 -10.368 -11.715 1.00 1.44 H new ATOM 0 HE2 LYS A 90 -0.999 -10.781 -9.350 1.00 2.21 H new ATOM 0 HE3 LYS A 90 -2.428 -11.690 -9.800 1.00 2.21 H new ATOM 0 HZ1 LYS A 90 -0.594 -13.148 -9.269 1.00 35.12 H new ATOM 0 HZ2 LYS A 90 -1.013 -13.315 -10.906 1.00 35.12 H new ATOM 0 HZ3 LYS A 90 0.372 -12.434 -10.470 1.00 35.12 H new ATOM 1403 N ALA A 91 -5.073 -7.555 -8.947 1.00 11.31 N ATOM 1404 CA ALA A 91 -4.916 -6.420 -8.032 1.00 2.04 C ATOM 1405 C ALA A 91 -4.011 -6.762 -6.842 1.00 23.13 C ATOM 1406 O ALA A 91 -4.149 -7.817 -6.224 1.00 30.01 O ATOM 1407 CB ALA A 91 -6.284 -5.963 -7.542 1.00 21.42 C ATOM 0 H ALA A 91 -5.639 -8.318 -8.576 1.00 11.31 H new ATOM 0 HA ALA A 91 -4.434 -5.611 -8.582 1.00 2.04 H new ATOM 0 HB1 ALA A 91 -6.164 -5.119 -6.862 1.00 21.42 H new ATOM 0 HB2 ALA A 91 -6.893 -5.659 -8.394 1.00 21.42 H new ATOM 0 HB3 ALA A 91 -6.776 -6.783 -7.019 1.00 21.42 H new ATOM 1413 N LEU A 92 -3.084 -5.862 -6.527 1.00 24.11 N ATOM 1414 CA LEU A 92 -2.182 -6.047 -5.387 1.00 0.03 C ATOM 1415 C LEU A 92 -2.862 -5.651 -4.066 1.00 35.13 C ATOM 1416 O LEU A 92 -3.190 -4.482 -3.847 1.00 62.44 O ATOM 1417 CB LEU A 92 -0.901 -5.227 -5.595 1.00 41.21 C ATOM 1418 CG LEU A 92 0.132 -5.302 -4.453 1.00 73.42 C ATOM 1419 CD1 LEU A 92 0.760 -6.693 -4.374 1.00 40.03 C ATOM 1420 CD2 LEU A 92 1.209 -4.231 -4.628 1.00 4.52 C ATOM 0 H LEU A 92 -2.935 -4.995 -7.044 1.00 24.11 H new ATOM 0 HA LEU A 92 -1.925 -7.104 -5.324 1.00 0.03 H new ATOM 0 HB2 LEU A 92 -0.423 -5.561 -6.516 1.00 41.21 H new ATOM 0 HB3 LEU A 92 -1.179 -4.183 -5.741 1.00 41.21 H new ATOM 0 HG LEU A 92 -0.388 -5.114 -3.514 1.00 73.42 H new ATOM 0 HD11 LEU A 92 1.485 -6.719 -3.560 1.00 40.03 H new ATOM 0 HD12 LEU A 92 -0.018 -7.434 -4.190 1.00 40.03 H new ATOM 0 HD13 LEU A 92 1.262 -6.920 -5.315 1.00 40.03 H new ATOM 0 HD21 LEU A 92 1.928 -4.301 -3.812 1.00 4.52 H new ATOM 0 HD22 LEU A 92 1.722 -4.383 -5.578 1.00 4.52 H new ATOM 0 HD23 LEU A 92 0.746 -3.244 -4.620 1.00 4.52 H new ATOM 1432 N TYR A 93 -3.084 -6.636 -3.199 1.00 75.14 N ATOM 1433 CA TYR A 93 -3.673 -6.392 -1.878 1.00 43.14 C ATOM 1434 C TYR A 93 -2.587 -6.325 -0.791 1.00 62.43 C ATOM 1435 O TYR A 93 -1.620 -7.092 -0.810 1.00 74.45 O ATOM 1436 CB TYR A 93 -4.701 -7.479 -1.536 1.00 15.12 C ATOM 1437 CG TYR A 93 -5.975 -7.409 -2.362 1.00 63.11 C ATOM 1438 CD1 TYR A 93 -6.008 -7.868 -3.673 1.00 43.22 C ATOM 1439 CD2 TYR A 93 -7.152 -6.895 -1.821 1.00 3.04 C ATOM 1440 CE1 TYR A 93 -7.171 -7.818 -4.420 1.00 70.41 C ATOM 1441 CE2 TYR A 93 -8.315 -6.839 -2.563 1.00 31.03 C ATOM 1442 CZ TYR A 93 -8.320 -7.304 -3.861 1.00 64.14 C ATOM 1443 OH TYR A 93 -9.482 -7.264 -4.600 1.00 25.41 O ATOM 0 H TYR A 93 -2.865 -7.615 -3.385 1.00 75.14 H new ATOM 0 HA TYR A 93 -4.181 -5.428 -1.912 1.00 43.14 H new ATOM 0 HB2 TYR A 93 -4.241 -8.457 -1.679 1.00 15.12 H new ATOM 0 HB3 TYR A 93 -4.960 -7.400 -0.480 1.00 15.12 H new ATOM 0 HD1 TYR A 93 -5.110 -8.271 -4.117 1.00 43.22 H new ATOM 0 HD2 TYR A 93 -7.154 -6.534 -0.803 1.00 3.04 H new ATOM 0 HE1 TYR A 93 -7.178 -8.180 -5.437 1.00 70.41 H new ATOM 0 HE2 TYR A 93 -9.217 -6.433 -2.129 1.00 31.03 H new ATOM 0 HH TYR A 93 -10.200 -6.874 -4.059 1.00 25.41 H new ATOM 1453 N LEU A 94 -2.758 -5.401 0.152 1.00 24.25 N ATOM 1454 CA LEU A 94 -1.767 -5.161 1.209 1.00 62.35 C ATOM 1455 C LEU A 94 -2.402 -5.259 2.606 1.00 33.33 C ATOM 1456 O LEU A 94 -3.556 -4.878 2.801 1.00 5.51 O ATOM 1457 CB LEU A 94 -1.157 -3.760 1.034 1.00 3.41 C ATOM 1458 CG LEU A 94 -0.648 -3.426 -0.380 1.00 63.35 C ATOM 1459 CD1 LEU A 94 -0.149 -1.985 -0.448 1.00 70.14 C ATOM 1460 CD2 LEU A 94 0.447 -4.398 -0.809 1.00 31.33 C ATOM 0 H LEU A 94 -3.580 -4.799 0.209 1.00 24.25 H new ATOM 0 HA LEU A 94 -0.994 -5.925 1.125 1.00 62.35 H new ATOM 0 HB2 LEU A 94 -1.906 -3.020 1.315 1.00 3.41 H new ATOM 0 HB3 LEU A 94 -0.327 -3.655 1.733 1.00 3.41 H new ATOM 0 HG LEU A 94 -1.483 -3.531 -1.073 1.00 63.35 H new ATOM 0 HD11 LEU A 94 0.206 -1.770 -1.456 1.00 70.14 H new ATOM 0 HD12 LEU A 94 -0.964 -1.306 -0.198 1.00 70.14 H new ATOM 0 HD13 LEU A 94 0.668 -1.849 0.261 1.00 70.14 H new ATOM 0 HD21 LEU A 94 0.790 -4.141 -1.811 1.00 31.33 H new ATOM 0 HD22 LEU A 94 1.283 -4.335 -0.112 1.00 31.33 H new ATOM 0 HD23 LEU A 94 0.052 -5.414 -0.810 1.00 31.33 H new ATOM 1472 N ARG A 95 -1.645 -5.766 3.578 1.00 14.11 N ATOM 1473 CA ARG A 95 -2.094 -5.762 4.977 1.00 24.01 C ATOM 1474 C ARG A 95 -0.902 -5.554 5.925 1.00 64.12 C ATOM 1475 O ARG A 95 0.249 -5.793 5.555 1.00 72.25 O ATOM 1476 CB ARG A 95 -2.837 -7.064 5.325 1.00 1.32 C ATOM 1477 CG ARG A 95 -1.942 -8.294 5.410 1.00 31.32 C ATOM 1478 CD ARG A 95 -2.753 -9.579 5.575 1.00 63.34 C ATOM 1479 NE ARG A 95 -3.789 -9.470 6.606 1.00 43.42 N ATOM 1480 CZ ARG A 95 -3.765 -10.104 7.749 1.00 3.23 C ATOM 1481 NH1 ARG A 95 -2.724 -10.788 8.102 1.00 22.24 N ATOM 1482 NH2 ARG A 95 -4.778 -10.028 8.552 1.00 73.51 N ATOM 0 H ARG A 95 -0.726 -6.182 3.429 1.00 14.11 H new ATOM 0 HA ARG A 95 -2.790 -4.932 5.104 1.00 24.01 H new ATOM 0 HB2 ARG A 95 -3.347 -6.933 6.280 1.00 1.32 H new ATOM 0 HB3 ARG A 95 -3.607 -7.241 4.574 1.00 1.32 H new ATOM 0 HG2 ARG A 95 -1.333 -8.363 4.509 1.00 31.32 H new ATOM 0 HG3 ARG A 95 -1.257 -8.187 6.251 1.00 31.32 H new ATOM 0 HD2 ARG A 95 -3.220 -9.833 4.623 1.00 63.34 H new ATOM 0 HD3 ARG A 95 -2.080 -10.398 5.828 1.00 63.34 H new ATOM 0 HE ARG A 95 -4.583 -8.858 6.419 1.00 43.42 H new ATOM 0 HH11 ARG A 95 -1.912 -10.836 7.486 1.00 22.24 H new ATOM 0 HH12 ARG A 95 -2.716 -11.279 8.996 1.00 22.24 H new ATOM 0 HH21 ARG A 95 -5.594 -9.474 8.293 1.00 73.51 H new ATOM 0 HH22 ARG A 95 -4.760 -10.522 9.444 1.00 73.51 H new ATOM 1496 N ALA A 96 -1.181 -5.096 7.141 1.00 1.54 N ATOM 1497 CA ALA A 96 -0.127 -4.802 8.121 1.00 13.34 C ATOM 1498 C ALA A 96 0.560 -6.076 8.636 1.00 14.12 C ATOM 1499 O ALA A 96 -0.067 -7.129 8.760 1.00 42.44 O ATOM 1500 CB ALA A 96 -0.706 -4.006 9.286 1.00 1.21 C ATOM 0 H ALA A 96 -2.128 -4.918 7.477 1.00 1.54 H new ATOM 0 HA ALA A 96 0.634 -4.208 7.615 1.00 13.34 H new ATOM 0 HB1 ALA A 96 0.082 -3.792 10.008 1.00 1.21 H new ATOM 0 HB2 ALA A 96 -1.122 -3.069 8.915 1.00 1.21 H new ATOM 0 HB3 ALA A 96 -1.492 -4.587 9.768 1.00 1.21 H new ATOM 1506 N LYS A 97 1.852 -5.970 8.942 1.00 55.12 N ATOM 1507 CA LYS A 97 2.609 -7.096 9.496 1.00 21.54 C ATOM 1508 C LYS A 97 2.315 -7.271 10.995 1.00 32.35 C ATOM 1509 O LYS A 97 2.742 -6.463 11.826 1.00 12.44 O ATOM 1510 CB LYS A 97 4.120 -6.891 9.280 1.00 2.03 C ATOM 1511 CG LYS A 97 4.990 -8.031 9.819 1.00 32.11 C ATOM 1512 CD LYS A 97 4.732 -9.353 9.096 1.00 50.22 C ATOM 1513 CE LYS A 97 5.173 -9.303 7.633 1.00 42.41 C ATOM 1514 NZ LYS A 97 6.649 -9.176 7.491 1.00 53.04 N ATOM 0 H LYS A 97 2.398 -5.118 8.817 1.00 55.12 H new ATOM 0 HA LYS A 97 2.296 -7.999 8.972 1.00 21.54 H new ATOM 0 HB2 LYS A 97 4.311 -6.776 8.213 1.00 2.03 H new ATOM 0 HB3 LYS A 97 4.422 -5.960 9.760 1.00 2.03 H new ATOM 0 HG2 LYS A 97 6.041 -7.762 9.715 1.00 32.11 H new ATOM 0 HG3 LYS A 97 4.797 -8.159 10.884 1.00 32.11 H new ATOM 0 HD2 LYS A 97 5.264 -10.155 9.607 1.00 50.22 H new ATOM 0 HD3 LYS A 97 3.670 -9.592 9.146 1.00 50.22 H new ATOM 0 HE2 LYS A 97 4.838 -10.207 7.124 1.00 42.41 H new ATOM 0 HE3 LYS A 97 4.689 -8.461 7.139 1.00 42.41 H new ATOM 0 HZ1 LYS A 97 6.876 -8.284 7.007 1.00 53.04 H new ATOM 0 HZ2 LYS A 97 7.090 -9.181 8.433 1.00 53.04 H new ATOM 0 HZ3 LYS A 97 7.014 -9.975 6.934 1.00 53.04 H new