USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 TYR OH : rot -126:sc= 1.17 USER MOD Set 1.2: A 58 GLN :FLIP amide:sc= -1.32 F(o=-4.8,f=-0.14) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.495! USER MOD Single : A 33 HIS : no HD1:sc= -0.412 X(o=-0.41,f=-0.24) USER MOD Single : A 40 SER OG : rot -5:sc= 0.316! USER MOD Single : A 46 SER OG : rot -99:sc= 1.25 USER MOD Single : A 50 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0103) USER MOD Single : A 63 ASN : amide:sc= -0.365 K(o=-0.37,f=-1.5) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.638 USER MOD Single : A 72 HIS : no HE2:sc= -1.61! C(o=-1.6!,f=-5.1!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot -160:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 9 7.029 -4.021 -7.014 1.00 0.00 N ATOM 82 CA VAL A 9 6.277 -2.947 -6.388 1.00 0.00 C ATOM 83 C VAL A 9 5.182 -2.472 -7.345 1.00 0.00 C ATOM 84 O VAL A 9 5.236 -2.749 -8.543 1.00 0.00 O ATOM 85 CB VAL A 9 7.226 -1.825 -5.961 1.00 0.00 C ATOM 86 CG1 VAL A 9 8.527 -2.394 -5.391 1.00 0.00 C ATOM 87 CG2 VAL A 9 7.507 -0.872 -7.124 1.00 0.00 C ATOM 0 HA VAL A 9 5.785 -3.302 -5.482 1.00 0.00 H new ATOM 0 HB VAL A 9 6.736 -1.255 -5.172 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.183 -1.576 -5.095 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.304 -3.012 -4.521 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.022 -3.000 -6.150 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.184 -0.084 -6.793 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.966 -1.424 -7.944 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.572 -0.428 -7.464 1.00 0.00 H new ATOM 97 N ARG A 10 4.214 -1.765 -6.781 1.00 0.00 N ATOM 98 CA ARG A 10 3.108 -1.249 -7.569 1.00 0.00 C ATOM 99 C ARG A 10 3.277 0.254 -7.800 1.00 0.00 C ATOM 100 O ARG A 10 4.136 0.887 -7.189 1.00 0.00 O ATOM 101 CB ARG A 10 1.769 -1.503 -6.873 1.00 0.00 C ATOM 102 CG ARG A 10 1.677 -0.723 -5.561 1.00 0.00 C ATOM 103 CD ARG A 10 0.434 -1.131 -4.766 1.00 0.00 C ATOM 104 NE ARG A 10 0.831 -1.913 -3.574 1.00 0.00 N ATOM 105 CZ ARG A 10 -0.037 -2.454 -2.708 1.00 0.00 C ATOM 106 NH1 ARG A 10 -1.355 -2.302 -2.897 1.00 0.00 N ATOM 107 NH2 ARG A 10 0.413 -3.148 -1.654 1.00 0.00 N ATOM 0 H ARG A 10 4.173 -1.537 -5.788 1.00 0.00 H new ATOM 0 HA ARG A 10 3.112 -1.771 -8.526 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.951 -1.211 -7.532 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.654 -2.569 -6.675 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.571 -0.903 -4.963 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.644 0.346 -5.771 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.120 -0.243 -4.461 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.232 -1.723 -5.394 1.00 0.00 H new ATOM 0 HE ARG A 10 1.827 -2.049 -3.401 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.698 -1.775 -3.700 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.016 -2.714 -2.238 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.416 -3.265 -1.511 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.248 -3.560 -0.995 1.00 0.00 H new ATOM 121 N LEU A 11 2.443 0.782 -8.684 1.00 0.00 N ATOM 122 CA LEU A 11 2.489 2.199 -9.003 1.00 0.00 C ATOM 123 C LEU A 11 1.119 2.824 -8.730 1.00 0.00 C ATOM 124 O LEU A 11 0.195 2.675 -9.528 1.00 0.00 O ATOM 125 CB LEU A 11 2.986 2.410 -10.435 1.00 0.00 C ATOM 126 CG LEU A 11 4.463 2.099 -10.684 1.00 0.00 C ATOM 127 CD1 LEU A 11 4.921 2.654 -12.034 1.00 0.00 C ATOM 128 CD2 LEU A 11 5.333 2.606 -9.532 1.00 0.00 C ATOM 0 H LEU A 11 1.732 0.254 -9.189 1.00 0.00 H new ATOM 0 HA LEU A 11 3.207 2.710 -8.362 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.387 1.790 -11.102 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.801 3.448 -10.714 1.00 0.00 H new ATOM 0 HG LEU A 11 4.581 1.016 -10.724 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.974 2.419 -12.186 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.330 2.204 -12.832 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.785 3.735 -12.048 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.378 2.372 -9.735 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.215 3.685 -9.435 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.026 2.123 -8.604 1.00 0.00 H new ATOM 140 N VAL A 12 1.032 3.511 -7.600 1.00 0.00 N ATOM 141 CA VAL A 12 -0.209 4.159 -7.212 1.00 0.00 C ATOM 142 C VAL A 12 -0.151 5.637 -7.602 1.00 0.00 C ATOM 143 O VAL A 12 0.889 6.279 -7.462 1.00 0.00 O ATOM 144 CB VAL A 12 -0.467 3.943 -5.720 1.00 0.00 C ATOM 145 CG1 VAL A 12 -1.672 4.760 -5.248 1.00 0.00 C ATOM 146 CG2 VAL A 12 -0.653 2.458 -5.404 1.00 0.00 C ATOM 0 H VAL A 12 1.801 3.633 -6.941 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.053 3.717 -7.741 1.00 0.00 H new ATOM 0 HB VAL A 12 0.409 4.293 -5.175 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.834 4.588 -4.184 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.483 5.820 -5.420 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.559 4.455 -5.804 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.835 2.333 -4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.504 2.070 -5.965 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.247 1.911 -5.685 1.00 0.00 H new ATOM 156 N SER A 13 -1.281 6.134 -8.083 1.00 0.00 N ATOM 157 CA SER A 13 -1.371 7.525 -8.493 1.00 0.00 C ATOM 158 C SER A 13 -2.561 8.197 -7.805 1.00 0.00 C ATOM 159 O SER A 13 -3.708 7.809 -8.021 1.00 0.00 O ATOM 160 CB SER A 13 -1.501 7.643 -10.013 1.00 0.00 C ATOM 161 OG SER A 13 -1.637 8.998 -10.434 1.00 0.00 O ATOM 0 H SER A 13 -2.142 5.599 -8.198 1.00 0.00 H new ATOM 0 HA SER A 13 -0.453 8.031 -8.193 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.624 7.202 -10.487 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.366 7.071 -10.348 1.00 0.00 H new ATOM 0 HG SER A 13 -1.716 9.031 -11.410 1.00 0.00 H new ATOM 167 N LEU A 14 -2.247 9.195 -6.991 1.00 0.00 N ATOM 168 CA LEU A 14 -3.276 9.925 -6.270 1.00 0.00 C ATOM 169 C LEU A 14 -3.368 11.348 -6.824 1.00 0.00 C ATOM 170 O LEU A 14 -2.371 12.066 -6.869 1.00 0.00 O ATOM 171 CB LEU A 14 -3.018 9.866 -4.763 1.00 0.00 C ATOM 172 CG LEU A 14 -3.474 8.590 -4.054 1.00 0.00 C ATOM 173 CD1 LEU A 14 -4.965 8.337 -4.284 1.00 0.00 C ATOM 174 CD2 LEU A 14 -2.618 7.393 -4.473 1.00 0.00 C ATOM 0 H LEU A 14 -1.295 9.515 -6.815 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.250 9.461 -6.421 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.949 9.990 -4.592 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.516 10.715 -4.296 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.333 8.727 -2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.263 7.424 -3.769 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.541 9.177 -3.895 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.155 8.230 -5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.964 6.499 -3.954 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.703 7.244 -5.549 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.576 7.582 -4.215 1.00 0.00 H new ATOM 315 N LEU A 23 -2.800 12.568 0.145 1.00 0.00 N ATOM 316 CA LEU A 23 -3.270 11.863 -1.035 1.00 0.00 C ATOM 317 C LEU A 23 -4.333 10.842 -0.624 1.00 0.00 C ATOM 318 O LEU A 23 -4.500 9.815 -1.280 1.00 0.00 O ATOM 319 CB LEU A 23 -2.093 11.251 -1.797 1.00 0.00 C ATOM 320 CG LEU A 23 -0.715 11.840 -1.489 1.00 0.00 C ATOM 321 CD1 LEU A 23 0.399 10.952 -2.048 1.00 0.00 C ATOM 322 CD2 LEU A 23 -0.608 13.280 -1.996 1.00 0.00 C ATOM 0 HA LEU A 23 -3.744 12.556 -1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.065 10.182 -1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.282 11.359 -2.865 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.591 11.869 -0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.368 11.394 -1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.335 9.961 -1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.289 10.868 -3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.381 13.675 -1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.762 13.298 -3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.367 13.894 -1.511 1.00 0.00 H new ATOM 334 N GLY A 24 -5.026 11.161 0.459 1.00 0.00 N ATOM 335 CA GLY A 24 -6.069 10.285 0.965 1.00 0.00 C ATOM 336 C GLY A 24 -5.489 9.232 1.912 1.00 0.00 C ATOM 337 O GLY A 24 -6.220 8.624 2.692 1.00 0.00 O ATOM 0 H GLY A 24 -4.886 12.014 1.000 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.822 10.875 1.488 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.571 9.793 0.132 1.00 0.00 H new ATOM 341 N PHE A 25 -4.181 9.049 1.811 1.00 0.00 N ATOM 342 CA PHE A 25 -3.495 8.079 2.648 1.00 0.00 C ATOM 343 C PHE A 25 -2.365 8.741 3.440 1.00 0.00 C ATOM 344 O PHE A 25 -1.599 9.532 2.892 1.00 0.00 O ATOM 345 CB PHE A 25 -2.897 7.025 1.714 1.00 0.00 C ATOM 346 CG PHE A 25 -1.592 7.456 1.043 1.00 0.00 C ATOM 347 CD1 PHE A 25 -0.423 7.408 1.736 1.00 0.00 C ATOM 348 CD2 PHE A 25 -1.601 7.888 -0.247 1.00 0.00 C ATOM 349 CE1 PHE A 25 0.789 7.808 1.113 1.00 0.00 C ATOM 350 CE2 PHE A 25 -0.389 8.289 -0.870 1.00 0.00 C ATOM 351 CZ PHE A 25 0.780 8.240 -0.177 1.00 0.00 C ATOM 0 H PHE A 25 -3.578 9.556 1.163 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.195 7.641 3.360 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.717 6.112 2.281 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.627 6.782 0.942 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.416 7.066 2.760 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.529 7.926 -0.797 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.718 7.769 1.663 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -0.396 8.633 -1.894 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.702 8.544 -0.651 1.00 0.00 H new ATOM 361 N SER A 26 -2.298 8.394 4.717 1.00 0.00 N ATOM 362 CA SER A 26 -1.275 8.944 5.589 1.00 0.00 C ATOM 363 C SER A 26 -0.025 8.062 5.552 1.00 0.00 C ATOM 364 O SER A 26 -0.054 6.962 5.004 1.00 0.00 O ATOM 365 CB SER A 26 -1.788 9.077 7.024 1.00 0.00 C ATOM 366 OG SER A 26 -1.620 10.398 7.532 1.00 0.00 O ATOM 0 H SER A 26 -2.936 7.739 5.168 1.00 0.00 H new ATOM 0 HA SER A 26 -1.019 9.941 5.229 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.844 8.807 7.058 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.258 8.372 7.665 1.00 0.00 H new ATOM 0 HG SER A 26 -1.961 10.441 8.450 1.00 0.00 H new ATOM 372 N ILE A 27 1.043 8.579 6.142 1.00 0.00 N ATOM 373 CA ILE A 27 2.300 7.852 6.183 1.00 0.00 C ATOM 374 C ILE A 27 2.813 7.810 7.624 1.00 0.00 C ATOM 375 O ILE A 27 2.316 8.534 8.485 1.00 0.00 O ATOM 376 CB ILE A 27 3.299 8.453 5.192 1.00 0.00 C ATOM 377 CG1 ILE A 27 3.733 9.853 5.632 1.00 0.00 C ATOM 378 CG2 ILE A 27 2.732 8.448 3.771 1.00 0.00 C ATOM 379 CD1 ILE A 27 5.114 10.200 5.072 1.00 0.00 C ATOM 0 H ILE A 27 1.063 9.492 6.595 1.00 0.00 H new ATOM 0 HA ILE A 27 2.153 6.819 5.866 1.00 0.00 H new ATOM 0 HB ILE A 27 4.191 7.827 5.184 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.003 10.588 5.291 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.754 9.906 6.721 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.462 8.880 3.087 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.514 7.423 3.470 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.815 9.037 3.743 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.399 11.200 5.400 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.845 9.478 5.434 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.083 10.170 3.983 1.00 0.00 H new ATOM 391 N ARG A 28 3.801 6.954 7.842 1.00 0.00 N ATOM 392 CA ARG A 28 4.386 6.808 9.164 1.00 0.00 C ATOM 393 C ARG A 28 5.860 6.414 9.051 1.00 0.00 C ATOM 394 O ARG A 28 6.335 6.075 7.968 1.00 0.00 O ATOM 395 CB ARG A 28 3.644 5.748 9.981 1.00 0.00 C ATOM 396 CG ARG A 28 3.519 4.440 9.198 1.00 0.00 C ATOM 397 CD ARG A 28 3.412 3.242 10.145 1.00 0.00 C ATOM 398 NE ARG A 28 3.946 2.028 9.487 1.00 0.00 N ATOM 399 CZ ARG A 28 5.244 1.696 9.462 1.00 0.00 C ATOM 400 NH1 ARG A 28 6.149 2.486 10.056 1.00 0.00 N ATOM 401 NH2 ARG A 28 5.636 0.576 8.841 1.00 0.00 N ATOM 0 H ARG A 28 4.211 6.355 7.125 1.00 0.00 H new ATOM 0 HA ARG A 28 4.300 7.768 9.672 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.175 5.567 10.916 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.652 6.115 10.244 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.640 4.480 8.555 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.385 4.317 8.547 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.966 3.442 11.062 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.372 3.084 10.429 1.00 0.00 H new ATOM 0 HE ARG A 28 3.284 1.405 9.024 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.850 3.340 10.527 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.137 2.233 10.037 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.947 -0.024 8.387 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.624 0.323 8.822 1.00 0.00 H new ATOM 415 N GLY A 29 6.544 6.473 10.184 1.00 0.00 N ATOM 416 CA GLY A 29 7.955 6.128 10.226 1.00 0.00 C ATOM 417 C GLY A 29 8.823 7.310 9.791 1.00 0.00 C ATOM 418 O GLY A 29 8.601 8.440 10.224 1.00 0.00 O ATOM 0 H GLY A 29 6.147 6.755 11.080 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.229 5.824 11.236 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.144 5.275 9.574 1.00 0.00 H new ATOM 422 N GLY A 30 9.793 7.010 8.940 1.00 0.00 N ATOM 423 CA GLY A 30 10.695 8.034 8.441 1.00 0.00 C ATOM 424 C GLY A 30 12.061 7.941 9.124 1.00 0.00 C ATOM 425 O GLY A 30 12.274 7.084 9.979 1.00 0.00 O ATOM 0 H GLY A 30 9.974 6.072 8.583 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.815 7.924 7.363 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.264 9.020 8.615 1.00 0.00 H new ATOM 429 N SER A 31 12.951 8.835 8.719 1.00 0.00 N ATOM 430 CA SER A 31 14.291 8.865 9.281 1.00 0.00 C ATOM 431 C SER A 31 14.223 9.156 10.781 1.00 0.00 C ATOM 432 O SER A 31 13.200 8.911 11.419 1.00 0.00 O ATOM 433 CB SER A 31 15.161 9.907 8.576 1.00 0.00 C ATOM 434 OG SER A 31 16.496 9.914 9.074 1.00 0.00 O ATOM 0 H SER A 31 12.771 9.544 8.008 1.00 0.00 H new ATOM 0 HA SER A 31 14.748 7.887 9.128 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.175 9.703 7.505 1.00 0.00 H new ATOM 0 HB3 SER A 31 14.720 10.895 8.707 1.00 0.00 H new ATOM 0 HG SER A 31 17.019 10.591 8.597 1.00 0.00 H new ATOM 440 N GLU A 32 15.325 9.675 11.301 1.00 0.00 N ATOM 441 CA GLU A 32 15.404 10.003 12.714 1.00 0.00 C ATOM 442 C GLU A 32 15.353 8.728 13.558 1.00 0.00 C ATOM 443 O GLU A 32 16.343 8.353 14.183 1.00 0.00 O ATOM 444 CB GLU A 32 14.289 10.971 13.115 1.00 0.00 C ATOM 445 CG GLU A 32 14.605 11.647 14.452 1.00 0.00 C ATOM 446 CD GLU A 32 15.608 12.787 14.266 1.00 0.00 C ATOM 447 OE1 GLU A 32 16.787 12.467 14.000 1.00 0.00 O ATOM 448 OE2 GLU A 32 15.174 13.952 14.395 1.00 0.00 O ATOM 0 H GLU A 32 16.171 9.877 10.769 1.00 0.00 H new ATOM 0 HA GLU A 32 16.356 10.500 12.899 1.00 0.00 H new ATOM 0 HB2 GLU A 32 14.164 11.728 12.341 1.00 0.00 H new ATOM 0 HB3 GLU A 32 13.344 10.433 13.190 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.687 12.034 14.894 1.00 0.00 H new ATOM 0 HG3 GLU A 32 15.009 10.912 15.149 1.00 0.00 H new ATOM 455 N HIS A 33 14.188 8.097 13.550 1.00 0.00 N ATOM 456 CA HIS A 33 13.994 6.872 14.306 1.00 0.00 C ATOM 457 C HIS A 33 14.821 5.746 13.681 1.00 0.00 C ATOM 458 O HIS A 33 15.417 4.940 14.394 1.00 0.00 O ATOM 459 CB HIS A 33 12.507 6.527 14.412 1.00 0.00 C ATOM 460 CG HIS A 33 11.904 6.817 15.765 1.00 0.00 C ATOM 461 ND1 HIS A 33 10.539 6.911 15.973 1.00 0.00 N ATOM 462 CD2 HIS A 33 12.494 7.030 16.977 1.00 0.00 C ATOM 463 CE1 HIS A 33 10.328 7.170 17.255 1.00 0.00 C ATOM 464 NE2 HIS A 33 11.541 7.245 17.875 1.00 0.00 N ATOM 0 H HIS A 33 13.368 8.412 13.031 1.00 0.00 H new ATOM 0 HA HIS A 33 14.348 7.012 15.327 1.00 0.00 H new ATOM 0 HB2 HIS A 33 11.960 7.087 13.654 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.373 5.469 14.185 1.00 0.00 H new ATOM 0 HD2 HIS A 33 13.556 7.025 17.172 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.365 7.299 17.726 1.00 0.00 H new ATOM 0 HE2 HIS A 33 11.691 7.435 18.866 1.00 0.00 H new ATOM 472 N GLY A 34 14.830 5.728 12.357 1.00 0.00 N ATOM 473 CA GLY A 34 15.574 4.715 11.628 1.00 0.00 C ATOM 474 C GLY A 34 14.628 3.777 10.875 1.00 0.00 C ATOM 475 O GLY A 34 14.810 2.560 10.894 1.00 0.00 O ATOM 0 H GLY A 34 14.334 6.399 11.770 1.00 0.00 H new ATOM 0 HA2 GLY A 34 16.254 5.194 10.924 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.187 4.139 12.321 1.00 0.00 H new ATOM 479 N VAL A 35 13.640 4.378 10.229 1.00 0.00 N ATOM 480 CA VAL A 35 12.666 3.611 9.471 1.00 0.00 C ATOM 481 C VAL A 35 12.334 4.354 8.175 1.00 0.00 C ATOM 482 O VAL A 35 12.432 5.579 8.116 1.00 0.00 O ATOM 483 CB VAL A 35 11.432 3.334 10.333 1.00 0.00 C ATOM 484 CG1 VAL A 35 11.744 2.303 11.420 1.00 0.00 C ATOM 485 CG2 VAL A 35 10.888 4.627 10.944 1.00 0.00 C ATOM 0 H VAL A 35 13.493 5.387 10.215 1.00 0.00 H new ATOM 0 HA VAL A 35 13.077 2.641 9.194 1.00 0.00 H new ATOM 0 HB VAL A 35 10.659 2.918 9.687 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.851 2.124 12.019 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.063 1.370 10.956 1.00 0.00 H new ATOM 0 HG13 VAL A 35 12.541 2.680 12.061 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.012 4.402 11.552 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.655 5.085 11.569 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.610 5.317 10.147 1.00 0.00 H new ATOM 495 N GLY A 36 11.949 3.583 7.170 1.00 0.00 N ATOM 496 CA GLY A 36 11.603 4.153 5.879 1.00 0.00 C ATOM 497 C GLY A 36 10.236 4.839 5.932 1.00 0.00 C ATOM 498 O GLY A 36 9.937 5.563 6.880 1.00 0.00 O ATOM 0 H GLY A 36 11.869 2.568 7.223 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.364 4.873 5.580 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.591 3.369 5.122 1.00 0.00 H new ATOM 502 N ILE A 37 9.443 4.588 4.900 1.00 0.00 N ATOM 503 CA ILE A 37 8.116 5.173 4.817 1.00 0.00 C ATOM 504 C ILE A 37 7.082 4.058 4.647 1.00 0.00 C ATOM 505 O ILE A 37 7.375 3.020 4.056 1.00 0.00 O ATOM 506 CB ILE A 37 8.065 6.232 3.714 1.00 0.00 C ATOM 507 CG1 ILE A 37 9.164 7.279 3.908 1.00 0.00 C ATOM 508 CG2 ILE A 37 6.676 6.868 3.628 1.00 0.00 C ATOM 509 CD1 ILE A 37 8.861 8.176 5.110 1.00 0.00 C ATOM 0 H ILE A 37 9.694 3.987 4.115 1.00 0.00 H new ATOM 0 HA ILE A 37 7.872 5.697 5.741 1.00 0.00 H new ATOM 0 HB ILE A 37 8.253 5.740 2.760 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.123 6.782 4.053 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.254 7.888 3.009 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.667 7.617 2.836 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.936 6.098 3.408 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.434 7.342 4.579 1.00 0.00 H new ATOM 0 HD11 ILE A 37 9.658 8.911 5.225 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.913 8.690 4.951 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.796 7.567 6.011 1.00 0.00 H new ATOM 521 N TYR A 38 5.894 4.311 5.176 1.00 0.00 N ATOM 522 CA TYR A 38 4.815 3.342 5.090 1.00 0.00 C ATOM 523 C TYR A 38 3.461 4.002 5.359 1.00 0.00 C ATOM 524 O TYR A 38 3.398 5.071 5.965 1.00 0.00 O ATOM 525 CB TYR A 38 5.090 2.306 6.182 1.00 0.00 C ATOM 526 CG TYR A 38 6.517 1.756 6.173 1.00 0.00 C ATOM 527 CD1 TYR A 38 7.512 2.405 6.875 1.00 0.00 C ATOM 528 CD2 TYR A 38 6.810 0.610 5.462 1.00 0.00 C ATOM 529 CE1 TYR A 38 8.856 1.887 6.866 1.00 0.00 C ATOM 530 CE2 TYR A 38 8.154 0.092 5.452 1.00 0.00 C ATOM 531 CZ TYR A 38 9.110 0.756 6.155 1.00 0.00 C ATOM 532 OH TYR A 38 10.379 0.267 6.146 1.00 0.00 O ATOM 0 H TYR A 38 5.655 5.173 5.666 1.00 0.00 H new ATOM 0 HA TYR A 38 4.776 2.900 4.094 1.00 0.00 H new ATOM 0 HB2 TYR A 38 4.892 2.757 7.154 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.391 1.477 6.066 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.283 3.302 7.431 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.031 0.101 4.913 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.644 2.385 7.411 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.397 -0.803 4.899 1.00 0.00 H new ATOM 0 HH TYR A 38 10.677 0.148 5.220 1.00 0.00 H new ATOM 542 N VAL A 39 2.412 3.339 4.897 1.00 0.00 N ATOM 543 CA VAL A 39 1.064 3.848 5.080 1.00 0.00 C ATOM 544 C VAL A 39 0.504 3.332 6.408 1.00 0.00 C ATOM 545 O VAL A 39 0.647 2.153 6.729 1.00 0.00 O ATOM 546 CB VAL A 39 0.194 3.472 3.879 1.00 0.00 C ATOM 547 CG1 VAL A 39 -1.201 4.090 3.997 1.00 0.00 C ATOM 548 CG2 VAL A 39 0.866 3.880 2.567 1.00 0.00 C ATOM 0 H VAL A 39 2.468 2.453 4.396 1.00 0.00 H new ATOM 0 HA VAL A 39 1.071 4.937 5.131 1.00 0.00 H new ATOM 0 HB VAL A 39 0.080 2.388 3.874 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.799 3.807 3.131 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.684 3.728 4.905 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.115 5.176 4.040 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.227 3.602 1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.025 4.958 2.560 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.826 3.371 2.476 1.00 0.00 H new ATOM 558 N SER A 40 -0.120 4.240 7.143 1.00 0.00 N ATOM 559 CA SER A 40 -0.701 3.892 8.429 1.00 0.00 C ATOM 560 C SER A 40 -2.214 4.116 8.397 1.00 0.00 C ATOM 561 O SER A 40 -2.927 3.694 9.306 1.00 0.00 O ATOM 562 CB SER A 40 -0.067 4.706 9.558 1.00 0.00 C ATOM 563 OG SER A 40 -0.868 4.697 10.737 1.00 0.00 O ATOM 0 H SER A 40 -0.236 5.217 6.873 1.00 0.00 H new ATOM 0 HA SER A 40 -0.500 2.838 8.621 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.919 4.302 9.787 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.079 5.734 9.226 1.00 0.00 H new ATOM 0 HG SER A 40 -1.714 4.237 10.554 1.00 0.00 H new ATOM 569 N LEU A 41 -2.660 4.780 7.340 1.00 0.00 N ATOM 570 CA LEU A 41 -4.075 5.066 7.178 1.00 0.00 C ATOM 571 C LEU A 41 -4.392 5.220 5.689 1.00 0.00 C ATOM 572 O LEU A 41 -3.601 5.788 4.938 1.00 0.00 O ATOM 573 CB LEU A 41 -4.477 6.278 8.021 1.00 0.00 C ATOM 574 CG LEU A 41 -5.915 6.770 7.845 1.00 0.00 C ATOM 575 CD1 LEU A 41 -6.100 7.449 6.487 1.00 0.00 C ATOM 576 CD2 LEU A 41 -6.914 5.630 8.057 1.00 0.00 C ATOM 0 H LEU A 41 -2.066 5.128 6.588 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.676 4.236 7.549 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.324 6.032 9.072 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.801 7.100 7.785 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.115 7.520 8.610 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.131 7.789 6.388 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.427 8.303 6.413 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.874 6.739 5.691 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.929 6.006 7.926 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.724 4.840 7.331 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.802 5.231 9.065 1.00 0.00 H new ATOM 588 N VAL A 42 -5.552 4.704 5.308 1.00 0.00 N ATOM 589 CA VAL A 42 -5.983 4.777 3.922 1.00 0.00 C ATOM 590 C VAL A 42 -7.468 5.145 3.874 1.00 0.00 C ATOM 591 O VAL A 42 -8.296 4.480 4.494 1.00 0.00 O ATOM 592 CB VAL A 42 -5.669 3.462 3.206 1.00 0.00 C ATOM 593 CG1 VAL A 42 -6.689 3.183 2.100 1.00 0.00 C ATOM 594 CG2 VAL A 42 -4.244 3.468 2.649 1.00 0.00 C ATOM 0 H VAL A 42 -6.206 4.234 5.934 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.437 5.558 3.392 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.739 2.657 3.937 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.443 2.243 1.607 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.687 3.115 2.534 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.665 3.992 1.370 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.046 2.522 2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.134 4.287 1.939 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.535 3.599 3.466 1.00 0.00 H new ATOM 604 N GLU A 43 -7.759 6.203 3.131 1.00 0.00 N ATOM 605 CA GLU A 43 -9.129 6.666 2.993 1.00 0.00 C ATOM 606 C GLU A 43 -9.964 5.637 2.229 1.00 0.00 C ATOM 607 O GLU A 43 -9.535 5.132 1.192 1.00 0.00 O ATOM 608 CB GLU A 43 -9.179 8.032 2.306 1.00 0.00 C ATOM 609 CG GLU A 43 -8.940 9.161 3.311 1.00 0.00 C ATOM 610 CD GLU A 43 -10.216 9.975 3.535 1.00 0.00 C ATOM 611 OE1 GLU A 43 -11.009 9.560 4.408 1.00 0.00 O ATOM 612 OE2 GLU A 43 -10.370 10.994 2.828 1.00 0.00 O ATOM 0 H GLU A 43 -7.069 6.753 2.618 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.555 6.781 3.990 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.426 8.075 1.519 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.149 8.166 1.826 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.600 8.743 4.259 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.147 9.814 2.948 1.00 0.00 H new ATOM 619 N PRO A 44 -11.171 5.350 2.784 1.00 0.00 N ATOM 620 CA PRO A 44 -12.070 4.390 2.166 1.00 0.00 C ATOM 621 C PRO A 44 -12.742 4.987 0.928 1.00 0.00 C ATOM 622 O PRO A 44 -12.721 6.200 0.730 1.00 0.00 O ATOM 623 CB PRO A 44 -13.060 4.017 3.257 1.00 0.00 C ATOM 624 CG PRO A 44 -12.966 5.121 4.299 1.00 0.00 C ATOM 625 CD PRO A 44 -11.712 5.929 4.010 1.00 0.00 C ATOM 0 HA PRO A 44 -11.551 3.505 1.799 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.071 3.942 2.858 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.816 3.048 3.692 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.849 5.759 4.260 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.924 4.697 5.302 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.944 6.986 3.880 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.998 5.858 4.830 1.00 0.00 H new ATOM 633 N GLY A 45 -13.323 4.106 0.126 1.00 0.00 N ATOM 634 CA GLY A 45 -14.000 4.530 -1.087 1.00 0.00 C ATOM 635 C GLY A 45 -13.241 5.670 -1.769 1.00 0.00 C ATOM 636 O GLY A 45 -13.843 6.513 -2.433 1.00 0.00 O ATOM 0 H GLY A 45 -13.338 3.100 0.293 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -14.089 3.687 -1.772 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -15.013 4.855 -0.848 1.00 0.00 H new ATOM 640 N SER A 46 -11.929 5.660 -1.581 1.00 0.00 N ATOM 641 CA SER A 46 -11.081 6.682 -2.170 1.00 0.00 C ATOM 642 C SER A 46 -10.298 6.098 -3.348 1.00 0.00 C ATOM 643 O SER A 46 -10.454 4.924 -3.681 1.00 0.00 O ATOM 644 CB SER A 46 -10.121 7.266 -1.132 1.00 0.00 C ATOM 645 OG SER A 46 -8.930 6.493 -1.011 1.00 0.00 O ATOM 0 H SER A 46 -11.433 4.960 -1.029 1.00 0.00 H new ATOM 0 HA SER A 46 -11.719 7.489 -2.531 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.863 8.288 -1.411 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.620 7.316 -0.164 1.00 0.00 H new ATOM 0 HG SER A 46 -8.999 5.906 -0.229 1.00 0.00 H new ATOM 651 N LEU A 47 -9.471 6.944 -3.945 1.00 0.00 N ATOM 652 CA LEU A 47 -8.663 6.527 -5.078 1.00 0.00 C ATOM 653 C LEU A 47 -7.593 5.543 -4.601 1.00 0.00 C ATOM 654 O LEU A 47 -7.504 4.424 -5.105 1.00 0.00 O ATOM 655 CB LEU A 47 -8.096 7.745 -5.810 1.00 0.00 C ATOM 656 CG LEU A 47 -7.155 7.447 -6.979 1.00 0.00 C ATOM 657 CD1 LEU A 47 -7.617 6.211 -7.754 1.00 0.00 C ATOM 658 CD2 LEU A 47 -7.004 8.670 -7.886 1.00 0.00 C ATOM 0 H LEU A 47 -9.343 7.916 -3.665 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.276 6.002 -5.810 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.929 8.340 -6.183 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.562 8.362 -5.088 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.168 7.222 -6.575 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.931 6.022 -8.579 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.631 5.348 -7.088 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.619 6.382 -8.147 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.330 8.432 -8.709 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.979 8.950 -8.285 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.595 9.501 -7.311 1.00 0.00 H new ATOM 670 N ALA A 48 -6.808 5.995 -3.635 1.00 0.00 N ATOM 671 CA ALA A 48 -5.747 5.168 -3.084 1.00 0.00 C ATOM 672 C ALA A 48 -6.271 3.746 -2.877 1.00 0.00 C ATOM 673 O ALA A 48 -5.809 2.809 -3.527 1.00 0.00 O ATOM 674 CB ALA A 48 -5.232 5.795 -1.787 1.00 0.00 C ATOM 0 H ALA A 48 -6.885 6.923 -3.219 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.906 5.112 -3.775 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.436 5.175 -1.374 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.844 6.792 -1.994 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.048 5.865 -1.068 1.00 0.00 H new ATOM 680 N GLU A 49 -7.228 3.629 -1.968 1.00 0.00 N ATOM 681 CA GLU A 49 -7.819 2.336 -1.666 1.00 0.00 C ATOM 682 C GLU A 49 -8.251 1.636 -2.956 1.00 0.00 C ATOM 683 O GLU A 49 -8.274 0.408 -3.022 1.00 0.00 O ATOM 684 CB GLU A 49 -8.998 2.484 -0.702 1.00 0.00 C ATOM 685 CG GLU A 49 -9.568 1.117 -0.319 1.00 0.00 C ATOM 686 CD GLU A 49 -8.946 0.609 0.984 1.00 0.00 C ATOM 687 OE1 GLU A 49 -7.701 0.665 1.078 1.00 0.00 O ATOM 688 OE2 GLU A 49 -9.730 0.175 1.855 1.00 0.00 O ATOM 0 H GLU A 49 -7.609 4.408 -1.431 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.066 1.720 -1.175 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.675 3.011 0.195 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.777 3.090 -1.165 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.650 1.189 -0.206 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.378 0.402 -1.120 1.00 0.00 H new ATOM 695 N LYS A 50 -8.582 2.447 -3.950 1.00 0.00 N ATOM 696 CA LYS A 50 -9.012 1.921 -5.234 1.00 0.00 C ATOM 697 C LYS A 50 -7.798 1.373 -5.988 1.00 0.00 C ATOM 698 O LYS A 50 -7.910 0.394 -6.724 1.00 0.00 O ATOM 699 CB LYS A 50 -9.792 2.981 -6.013 1.00 0.00 C ATOM 700 CG LYS A 50 -9.408 2.967 -7.494 1.00 0.00 C ATOM 701 CD LYS A 50 -10.455 3.695 -8.340 1.00 0.00 C ATOM 702 CE LYS A 50 -9.960 3.894 -9.773 1.00 0.00 C ATOM 703 NZ LYS A 50 -9.860 2.594 -10.473 1.00 0.00 N ATOM 0 H LYS A 50 -8.561 3.465 -3.892 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.703 1.090 -5.093 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.862 2.800 -5.909 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.594 3.966 -5.592 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.435 3.441 -7.625 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.310 1.937 -7.838 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.383 3.123 -8.348 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.681 4.663 -7.892 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.642 4.552 -10.311 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.986 4.384 -9.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.571 2.752 -11.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.154 1.997 -9.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.784 2.118 -10.455 1.00 0.00 H new ATOM 717 N GLU A 51 -6.666 2.029 -5.778 1.00 0.00 N ATOM 718 CA GLU A 51 -5.433 1.620 -6.428 1.00 0.00 C ATOM 719 C GLU A 51 -4.875 0.360 -5.763 1.00 0.00 C ATOM 720 O GLU A 51 -3.997 -0.301 -6.316 1.00 0.00 O ATOM 721 CB GLU A 51 -4.403 2.751 -6.412 1.00 0.00 C ATOM 722 CG GLU A 51 -4.960 4.010 -7.078 1.00 0.00 C ATOM 723 CD GLU A 51 -5.301 3.748 -8.547 1.00 0.00 C ATOM 724 OE1 GLU A 51 -4.380 3.319 -9.275 1.00 0.00 O ATOM 725 OE2 GLU A 51 -6.474 3.982 -8.908 1.00 0.00 O ATOM 0 H GLU A 51 -6.577 2.841 -5.167 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.654 1.390 -7.470 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.119 2.975 -5.384 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.499 2.431 -6.930 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.852 4.342 -6.547 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.230 4.816 -7.009 1.00 0.00 H new ATOM 732 N GLY A 52 -5.407 0.065 -4.587 1.00 0.00 N ATOM 733 CA GLY A 52 -4.973 -1.104 -3.840 1.00 0.00 C ATOM 734 C GLY A 52 -4.220 -0.696 -2.573 1.00 0.00 C ATOM 735 O GLY A 52 -4.077 -1.494 -1.648 1.00 0.00 O ATOM 0 H GLY A 52 -6.135 0.615 -4.132 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.838 -1.712 -3.574 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.330 -1.722 -4.466 1.00 0.00 H new ATOM 739 N LEU A 53 -3.756 0.545 -2.572 1.00 0.00 N ATOM 740 CA LEU A 53 -3.021 1.068 -1.433 1.00 0.00 C ATOM 741 C LEU A 53 -3.714 0.634 -0.140 1.00 0.00 C ATOM 742 O LEU A 53 -4.884 0.256 -0.156 1.00 0.00 O ATOM 743 CB LEU A 53 -2.846 2.583 -1.558 1.00 0.00 C ATOM 744 CG LEU A 53 -1.533 3.154 -1.018 1.00 0.00 C ATOM 745 CD1 LEU A 53 -0.514 3.345 -2.143 1.00 0.00 C ATOM 746 CD2 LEU A 53 -1.777 4.448 -0.239 1.00 0.00 C ATOM 0 H LEU A 53 -3.875 1.203 -3.342 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.013 0.654 -1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.931 2.853 -2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.671 3.068 -1.037 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.109 2.433 -0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.410 3.752 -1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.309 2.384 -2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.916 4.035 -2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.828 4.833 0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.235 5.187 -0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.442 4.247 0.601 1.00 0.00 H new ATOM 758 N ARG A 54 -2.962 0.701 0.948 1.00 0.00 N ATOM 759 CA ARG A 54 -3.489 0.319 2.247 1.00 0.00 C ATOM 760 C ARG A 54 -2.370 0.301 3.290 1.00 0.00 C ATOM 761 O ARG A 54 -1.271 -0.180 3.018 1.00 0.00 O ATOM 762 CB ARG A 54 -4.147 -1.061 2.191 1.00 0.00 C ATOM 763 CG ARG A 54 -5.632 -0.976 2.548 1.00 0.00 C ATOM 764 CD ARG A 54 -6.479 -1.794 1.571 1.00 0.00 C ATOM 765 NE ARG A 54 -6.328 -3.238 1.857 1.00 0.00 N ATOM 766 CZ ARG A 54 -6.982 -3.883 2.833 1.00 0.00 C ATOM 767 NH1 ARG A 54 -7.836 -3.216 3.621 1.00 0.00 N ATOM 768 NH2 ARG A 54 -6.783 -5.195 3.019 1.00 0.00 N ATOM 0 H ARG A 54 -1.991 1.014 0.957 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.241 1.056 2.529 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.033 -1.482 1.192 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.642 -1.737 2.881 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.787 -1.341 3.563 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.955 0.065 2.531 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.527 -1.506 1.656 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.172 -1.584 0.546 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.686 -3.776 1.275 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.988 -2.218 3.478 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.334 -3.707 4.364 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.134 -5.703 2.418 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.281 -5.686 3.762 1.00 0.00 H new ATOM 782 N VAL A 55 -2.687 0.831 4.462 1.00 0.00 N ATOM 783 CA VAL A 55 -1.722 0.882 5.547 1.00 0.00 C ATOM 784 C VAL A 55 -0.909 -0.414 5.561 1.00 0.00 C ATOM 785 O VAL A 55 -1.427 -1.480 5.233 1.00 0.00 O ATOM 786 CB VAL A 55 -2.438 1.153 6.872 1.00 0.00 C ATOM 787 CG1 VAL A 55 -3.833 0.524 6.880 1.00 0.00 C ATOM 788 CG2 VAL A 55 -1.606 0.657 8.056 1.00 0.00 C ATOM 0 H VAL A 55 -3.599 1.229 4.684 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.022 1.704 5.398 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.556 2.232 6.974 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.320 0.731 7.833 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.427 0.946 6.069 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.747 -0.554 6.744 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.137 0.862 8.985 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.442 -0.416 7.961 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.645 1.172 8.067 1.00 0.00 H new ATOM 798 N GLY A 56 0.352 -0.279 5.945 1.00 0.00 N ATOM 799 CA GLY A 56 1.242 -1.426 6.007 1.00 0.00 C ATOM 800 C GLY A 56 2.198 -1.443 4.812 1.00 0.00 C ATOM 801 O GLY A 56 3.201 -2.154 4.825 1.00 0.00 O ATOM 0 H GLY A 56 0.778 0.607 6.216 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.814 -1.397 6.934 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.656 -2.345 6.022 1.00 0.00 H new ATOM 805 N ASP A 57 1.852 -0.652 3.807 1.00 0.00 N ATOM 806 CA ASP A 57 2.667 -0.566 2.607 1.00 0.00 C ATOM 807 C ASP A 57 3.971 0.165 2.932 1.00 0.00 C ATOM 808 O ASP A 57 4.120 0.722 4.019 1.00 0.00 O ATOM 809 CB ASP A 57 1.947 0.216 1.507 1.00 0.00 C ATOM 810 CG ASP A 57 1.218 -0.645 0.473 1.00 0.00 C ATOM 811 OD1 ASP A 57 0.902 -1.803 0.821 1.00 0.00 O ATOM 812 OD2 ASP A 57 0.993 -0.124 -0.641 1.00 0.00 O ATOM 0 H ASP A 57 1.018 -0.065 3.799 1.00 0.00 H new ATOM 0 HA ASP A 57 2.862 -1.580 2.259 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.225 0.887 1.972 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.675 0.840 0.989 1.00 0.00 H new ATOM 817 N GLN A 58 4.881 0.141 1.970 1.00 0.00 N ATOM 818 CA GLN A 58 6.168 0.795 2.140 1.00 0.00 C ATOM 819 C GLN A 58 6.445 1.734 0.964 1.00 0.00 C ATOM 820 O GLN A 58 6.679 1.280 -0.155 1.00 0.00 O ATOM 821 CB GLN A 58 7.289 -0.233 2.298 1.00 0.00 C ATOM 822 CG GLN A 58 8.641 0.456 2.497 1.00 0.00 C ATOM 823 CD GLN A 58 9.715 -0.553 2.908 1.00 0.00 C ATOM 824 OE1 GLN A 58 10.725 -0.021 3.591 1.00 0.00 O flip ATOM 825 NE2 GLN A 58 9.633 -1.737 2.624 1.00 0.00 N flip ATOM 0 H GLN A 58 4.753 -0.321 1.070 1.00 0.00 H new ATOM 0 HA GLN A 58 6.134 1.389 3.053 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.077 -0.879 3.150 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.329 -0.872 1.416 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.939 0.954 1.574 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.551 1.228 3.261 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.830 -2.081 2.097 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.367 -2.383 2.914 1.00 0.00 H new ATOM 834 N ILE A 59 6.411 3.025 1.258 1.00 0.00 N ATOM 835 CA ILE A 59 6.656 4.031 0.238 1.00 0.00 C ATOM 836 C ILE A 59 8.154 4.084 -0.070 1.00 0.00 C ATOM 837 O ILE A 59 8.889 4.865 0.533 1.00 0.00 O ATOM 838 CB ILE A 59 6.068 5.378 0.663 1.00 0.00 C ATOM 839 CG1 ILE A 59 4.621 5.221 1.133 1.00 0.00 C ATOM 840 CG2 ILE A 59 6.197 6.411 -0.459 1.00 0.00 C ATOM 841 CD1 ILE A 59 3.681 4.993 -0.052 1.00 0.00 C ATOM 0 H ILE A 59 6.218 3.398 2.187 1.00 0.00 H new ATOM 0 HA ILE A 59 6.148 3.765 -0.689 1.00 0.00 H new ATOM 0 HB ILE A 59 6.643 5.749 1.511 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.549 4.382 1.825 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.314 6.113 1.679 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.771 7.359 -0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.250 6.551 -0.705 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.662 6.059 -1.341 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.659 4.885 0.310 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.737 5.844 -0.730 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.976 4.087 -0.582 1.00 0.00 H new ATOM 853 N LEU A 60 8.562 3.243 -1.009 1.00 0.00 N ATOM 854 CA LEU A 60 9.959 3.184 -1.405 1.00 0.00 C ATOM 855 C LEU A 60 10.322 4.459 -2.170 1.00 0.00 C ATOM 856 O LEU A 60 11.377 5.047 -1.938 1.00 0.00 O ATOM 857 CB LEU A 60 10.241 1.898 -2.184 1.00 0.00 C ATOM 858 CG LEU A 60 9.706 0.606 -1.562 1.00 0.00 C ATOM 859 CD1 LEU A 60 9.628 -0.512 -2.604 1.00 0.00 C ATOM 860 CD2 LEU A 60 10.538 0.199 -0.345 1.00 0.00 C ATOM 0 H LEU A 60 7.950 2.597 -1.507 1.00 0.00 H new ATOM 0 HA LEU A 60 10.603 3.145 -0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.815 2.001 -3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.320 1.800 -2.306 1.00 0.00 H new ATOM 0 HG LEU A 60 8.691 0.790 -1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.245 -1.419 -2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.961 -0.211 -3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.622 -0.704 -3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.137 -0.722 0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.572 0.039 -0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.498 0.990 0.404 1.00 0.00 H new ATOM 872 N ARG A 61 9.427 4.848 -3.067 1.00 0.00 N ATOM 873 CA ARG A 61 9.640 6.041 -3.867 1.00 0.00 C ATOM 874 C ARG A 61 8.375 6.902 -3.883 1.00 0.00 C ATOM 875 O ARG A 61 7.277 6.403 -3.645 1.00 0.00 O ATOM 876 CB ARG A 61 10.021 5.680 -5.304 1.00 0.00 C ATOM 877 CG ARG A 61 11.536 5.752 -5.505 1.00 0.00 C ATOM 878 CD ARG A 61 11.922 5.326 -6.923 1.00 0.00 C ATOM 879 NE ARG A 61 13.391 5.170 -7.022 1.00 0.00 N ATOM 880 CZ ARG A 61 14.082 4.183 -6.437 1.00 0.00 C ATOM 881 NH1 ARG A 61 13.443 3.257 -5.708 1.00 0.00 N ATOM 882 NH2 ARG A 61 15.413 4.120 -6.581 1.00 0.00 N ATOM 0 H ARG A 61 8.553 4.358 -3.257 1.00 0.00 H new ATOM 0 HA ARG A 61 10.459 6.601 -3.416 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.667 4.675 -5.536 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.526 6.360 -5.997 1.00 0.00 H new ATOM 0 HG2 ARG A 61 11.883 6.769 -5.320 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.034 5.108 -4.780 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.430 4.387 -7.176 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.578 6.070 -7.642 1.00 0.00 H new ATOM 0 HE ARG A 61 13.909 5.857 -7.570 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.430 3.304 -5.599 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.970 2.506 -5.263 1.00 0.00 H new ATOM 0 HH21 ARG A 61 15.900 4.824 -7.136 1.00 0.00 H new ATOM 0 HH22 ARG A 61 15.939 3.368 -6.135 1.00 0.00 H new ATOM 896 N VAL A 62 8.572 8.182 -4.166 1.00 0.00 N ATOM 897 CA VAL A 62 7.461 9.117 -4.216 1.00 0.00 C ATOM 898 C VAL A 62 7.654 10.068 -5.398 1.00 0.00 C ATOM 899 O VAL A 62 8.573 10.885 -5.399 1.00 0.00 O ATOM 900 CB VAL A 62 7.330 9.846 -2.877 1.00 0.00 C ATOM 901 CG1 VAL A 62 8.423 10.906 -2.721 1.00 0.00 C ATOM 902 CG2 VAL A 62 5.940 10.465 -2.724 1.00 0.00 C ATOM 0 H VAL A 62 9.485 8.593 -4.363 1.00 0.00 H new ATOM 0 HA VAL A 62 6.522 8.587 -4.375 1.00 0.00 H new ATOM 0 HB VAL A 62 7.459 9.112 -2.081 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.307 11.409 -1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.402 10.428 -2.765 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.339 11.636 -3.526 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.873 10.977 -1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.769 11.180 -3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.185 9.680 -2.770 1.00 0.00 H new ATOM 912 N ASN A 63 6.771 9.930 -6.377 1.00 0.00 N ATOM 913 CA ASN A 63 6.833 10.767 -7.564 1.00 0.00 C ATOM 914 C ASN A 63 7.950 10.264 -8.480 1.00 0.00 C ATOM 915 O ASN A 63 7.704 9.926 -9.637 1.00 0.00 O ATOM 916 CB ASN A 63 7.140 12.220 -7.197 1.00 0.00 C ATOM 917 CG ASN A 63 6.198 13.180 -7.926 1.00 0.00 C ATOM 918 OD1 ASN A 63 5.421 13.905 -7.325 1.00 0.00 O ATOM 919 ND2 ASN A 63 6.309 13.145 -9.251 1.00 0.00 N ATOM 0 H ASN A 63 6.009 9.252 -6.373 1.00 0.00 H new ATOM 0 HA ASN A 63 5.865 10.718 -8.063 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.041 12.356 -6.120 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.173 12.453 -7.454 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.723 13.749 -9.828 1.00 0.00 H new ATOM 0 HD22 ASN A 63 6.980 12.515 -9.690 1.00 0.00 H new ATOM 926 N ASP A 64 9.154 10.232 -7.929 1.00 0.00 N ATOM 927 CA ASP A 64 10.310 9.776 -8.682 1.00 0.00 C ATOM 928 C ASP A 64 11.479 9.541 -7.722 1.00 0.00 C ATOM 929 O ASP A 64 12.184 8.539 -7.832 1.00 0.00 O ATOM 930 CB ASP A 64 10.746 10.823 -9.709 1.00 0.00 C ATOM 931 CG ASP A 64 10.248 12.243 -9.436 1.00 0.00 C ATOM 932 OD1 ASP A 64 9.139 12.559 -9.919 1.00 0.00 O ATOM 933 OD2 ASP A 64 10.987 12.982 -8.750 1.00 0.00 O ATOM 0 H ASP A 64 9.354 10.515 -6.970 1.00 0.00 H new ATOM 0 HA ASP A 64 10.035 8.856 -9.198 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.835 10.838 -9.750 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.394 10.514 -10.693 1.00 0.00 H new ATOM 938 N LYS A 65 11.647 10.480 -6.804 1.00 0.00 N ATOM 939 CA LYS A 65 12.717 10.388 -5.826 1.00 0.00 C ATOM 940 C LYS A 65 12.412 9.251 -4.848 1.00 0.00 C ATOM 941 O LYS A 65 11.261 8.842 -4.705 1.00 0.00 O ATOM 942 CB LYS A 65 12.940 11.741 -5.146 1.00 0.00 C ATOM 943 CG LYS A 65 13.934 12.594 -5.936 1.00 0.00 C ATOM 944 CD LYS A 65 13.900 14.050 -5.468 1.00 0.00 C ATOM 945 CE LYS A 65 15.294 14.678 -5.526 1.00 0.00 C ATOM 946 NZ LYS A 65 15.535 15.517 -4.331 1.00 0.00 N ATOM 0 H LYS A 65 11.060 11.309 -6.716 1.00 0.00 H new ATOM 0 HA LYS A 65 13.660 10.144 -6.315 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.991 12.269 -5.059 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.312 11.586 -4.133 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.940 12.193 -5.814 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.697 12.544 -6.999 1.00 0.00 H new ATOM 0 HD2 LYS A 65 13.214 14.621 -6.094 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.517 14.099 -4.449 1.00 0.00 H new ATOM 0 HE2 LYS A 65 16.050 13.895 -5.586 1.00 0.00 H new ATOM 0 HE3 LYS A 65 15.389 15.283 -6.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.485 15.935 -4.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 14.825 16.275 -4.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 15.465 14.930 -3.475 1.00 0.00 H new ATOM 960 N SER A 66 13.464 8.773 -4.200 1.00 0.00 N ATOM 961 CA SER A 66 13.323 7.691 -3.240 1.00 0.00 C ATOM 962 C SER A 66 13.410 8.242 -1.815 1.00 0.00 C ATOM 963 O SER A 66 14.220 9.125 -1.535 1.00 0.00 O ATOM 964 CB SER A 66 14.391 6.617 -3.460 1.00 0.00 C ATOM 965 OG SER A 66 15.694 7.082 -3.118 1.00 0.00 O ATOM 0 H SER A 66 14.417 9.115 -4.321 1.00 0.00 H new ATOM 0 HA SER A 66 12.346 7.229 -3.386 1.00 0.00 H new ATOM 0 HB2 SER A 66 14.151 5.739 -2.861 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.380 6.304 -4.504 1.00 0.00 H new ATOM 0 HG SER A 66 16.347 6.367 -3.271 1.00 0.00 H new ATOM 971 N LEU A 67 12.565 7.697 -0.952 1.00 0.00 N ATOM 972 CA LEU A 67 12.537 8.123 0.437 1.00 0.00 C ATOM 973 C LEU A 67 13.216 7.062 1.305 1.00 0.00 C ATOM 974 O LEU A 67 12.681 6.666 2.340 1.00 0.00 O ATOM 975 CB LEU A 67 11.105 8.446 0.869 1.00 0.00 C ATOM 976 CG LEU A 67 10.276 9.269 -0.119 1.00 0.00 C ATOM 977 CD1 LEU A 67 8.818 9.365 0.335 1.00 0.00 C ATOM 978 CD2 LEU A 67 10.899 10.648 -0.343 1.00 0.00 C ATOM 0 H LEU A 67 11.895 6.965 -1.188 1.00 0.00 H new ATOM 0 HA LEU A 67 13.100 9.047 0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.583 7.508 1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.145 8.984 1.816 1.00 0.00 H new ATOM 0 HG LEU A 67 10.281 8.754 -1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.251 9.955 -0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.391 8.364 0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.772 9.844 1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.290 11.212 -1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.946 11.184 0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.906 10.532 -0.744 1.00 0.00 H new ATOM 990 N ALA A 68 14.384 6.632 0.852 1.00 0.00 N ATOM 991 CA ALA A 68 15.142 5.624 1.575 1.00 0.00 C ATOM 992 C ALA A 68 15.047 5.900 3.077 1.00 0.00 C ATOM 993 O ALA A 68 14.402 5.151 3.809 1.00 0.00 O ATOM 994 CB ALA A 68 16.588 5.617 1.074 1.00 0.00 C ATOM 0 H ALA A 68 14.824 6.963 -0.006 1.00 0.00 H new ATOM 0 HA ALA A 68 14.729 4.631 1.396 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.157 4.861 1.616 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.603 5.388 0.008 1.00 0.00 H new ATOM 0 HB3 ALA A 68 17.036 6.597 1.241 1.00 0.00 H new ATOM 1000 N ARG A 69 15.698 6.977 3.491 1.00 0.00 N ATOM 1001 CA ARG A 69 15.694 7.361 4.892 1.00 0.00 C ATOM 1002 C ARG A 69 15.664 8.885 5.025 1.00 0.00 C ATOM 1003 O ARG A 69 16.709 9.535 5.002 1.00 0.00 O ATOM 1004 CB ARG A 69 16.928 6.817 5.615 1.00 0.00 C ATOM 1005 CG ARG A 69 16.526 5.969 6.823 1.00 0.00 C ATOM 1006 CD ARG A 69 17.670 5.047 7.251 1.00 0.00 C ATOM 1007 NE ARG A 69 17.920 5.192 8.702 1.00 0.00 N ATOM 1008 CZ ARG A 69 18.929 4.597 9.353 1.00 0.00 C ATOM 1009 NH1 ARG A 69 19.788 3.814 8.686 1.00 0.00 N ATOM 1010 NH2 ARG A 69 19.080 4.785 10.671 1.00 0.00 N ATOM 0 H ARG A 69 16.232 7.596 2.881 1.00 0.00 H new ATOM 0 HA ARG A 69 14.801 6.936 5.350 1.00 0.00 H new ATOM 0 HB2 ARG A 69 17.522 6.217 4.926 1.00 0.00 H new ATOM 0 HB3 ARG A 69 17.558 7.645 5.941 1.00 0.00 H new ATOM 0 HG2 ARG A 69 16.249 6.620 7.652 1.00 0.00 H new ATOM 0 HG3 ARG A 69 15.647 5.373 6.577 1.00 0.00 H new ATOM 0 HD2 ARG A 69 17.420 4.012 7.018 1.00 0.00 H new ATOM 0 HD3 ARG A 69 18.573 5.291 6.692 1.00 0.00 H new ATOM 0 HE ARG A 69 17.285 5.781 9.240 1.00 0.00 H new ATOM 0 HH11 ARG A 69 19.674 3.671 7.683 1.00 0.00 H new ATOM 0 HH12 ARG A 69 20.556 3.361 9.182 1.00 0.00 H new ATOM 0 HH21 ARG A 69 18.427 5.381 11.179 1.00 0.00 H new ATOM 0 HH22 ARG A 69 19.848 4.332 11.166 1.00 0.00 H new ATOM 1024 N VAL A 70 14.456 9.412 5.161 1.00 0.00 N ATOM 1025 CA VAL A 70 14.276 10.847 5.297 1.00 0.00 C ATOM 1026 C VAL A 70 13.211 11.125 6.360 1.00 0.00 C ATOM 1027 O VAL A 70 12.243 10.376 6.484 1.00 0.00 O ATOM 1028 CB VAL A 70 13.939 11.464 3.938 1.00 0.00 C ATOM 1029 CG1 VAL A 70 15.140 11.395 2.992 1.00 0.00 C ATOM 1030 CG2 VAL A 70 12.714 10.789 3.318 1.00 0.00 C ATOM 0 H VAL A 70 13.592 8.870 5.180 1.00 0.00 H new ATOM 0 HA VAL A 70 15.201 11.317 5.632 1.00 0.00 H new ATOM 0 HB VAL A 70 13.698 12.515 4.098 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.874 11.840 2.033 1.00 0.00 H new ATOM 0 HG12 VAL A 70 15.977 11.942 3.426 1.00 0.00 H new ATOM 0 HG13 VAL A 70 15.426 10.354 2.842 1.00 0.00 H new ATOM 0 HG21 VAL A 70 12.496 11.246 2.353 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.915 9.727 3.179 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.857 10.912 3.980 1.00 0.00 H new ATOM 1040 N THR A 71 13.426 12.203 7.100 1.00 0.00 N ATOM 1041 CA THR A 71 12.497 12.588 8.148 1.00 0.00 C ATOM 1042 C THR A 71 11.056 12.514 7.638 1.00 0.00 C ATOM 1043 O THR A 71 10.824 12.452 6.431 1.00 0.00 O ATOM 1044 CB THR A 71 12.895 13.980 8.644 1.00 0.00 C ATOM 1045 OG1 THR A 71 13.282 14.672 7.461 1.00 0.00 O ATOM 1046 CG2 THR A 71 14.165 13.957 9.496 1.00 0.00 C ATOM 0 H THR A 71 14.230 12.822 6.994 1.00 0.00 H new ATOM 0 HA THR A 71 12.545 11.900 8.992 1.00 0.00 H new ATOM 0 HB THR A 71 12.077 14.406 9.225 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.554 15.585 7.690 1.00 0.00 H new ATOM 0 HG21 THR A 71 14.403 14.970 9.822 1.00 0.00 H new ATOM 0 HG22 THR A 71 14.007 13.323 10.368 1.00 0.00 H new ATOM 0 HG23 THR A 71 14.992 13.562 8.906 1.00 0.00 H new ATOM 1054 N HIS A 72 10.127 12.522 8.582 1.00 0.00 N ATOM 1055 CA HIS A 72 8.715 12.456 8.243 1.00 0.00 C ATOM 1056 C HIS A 72 8.310 13.722 7.485 1.00 0.00 C ATOM 1057 O HIS A 72 7.411 13.686 6.647 1.00 0.00 O ATOM 1058 CB HIS A 72 7.867 12.216 9.493 1.00 0.00 C ATOM 1059 CG HIS A 72 6.552 11.527 9.220 1.00 0.00 C ATOM 1060 ND1 HIS A 72 5.327 12.121 9.472 1.00 0.00 N ATOM 1061 CD2 HIS A 72 6.282 10.289 8.713 1.00 0.00 C ATOM 1062 CE1 HIS A 72 4.371 11.270 9.130 1.00 0.00 C ATOM 1063 NE2 HIS A 72 4.965 10.135 8.660 1.00 0.00 N ATOM 0 H HIS A 72 10.324 12.573 9.582 1.00 0.00 H new ATOM 0 HA HIS A 72 8.534 11.607 7.584 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.441 11.615 10.199 1.00 0.00 H new ATOM 0 HB3 HIS A 72 7.670 13.173 9.976 1.00 0.00 H new ATOM 0 HD1 HIS A 72 5.185 13.055 9.856 1.00 0.00 H new ATOM 0 HD2 HIS A 72 7.016 9.558 8.407 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.308 11.444 9.209 1.00 0.00 H new ATOM 1071 N ALA A 73 8.993 14.810 7.808 1.00 0.00 N ATOM 1072 CA ALA A 73 8.716 16.085 7.168 1.00 0.00 C ATOM 1073 C ALA A 73 9.252 16.059 5.735 1.00 0.00 C ATOM 1074 O ALA A 73 8.705 16.718 4.852 1.00 0.00 O ATOM 1075 CB ALA A 73 9.325 17.216 7.998 1.00 0.00 C ATOM 0 H ALA A 73 9.738 14.835 8.505 1.00 0.00 H new ATOM 0 HA ALA A 73 7.642 16.262 7.115 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.117 18.172 7.518 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.889 17.209 8.997 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.403 17.074 8.071 1.00 0.00 H new ATOM 1081 N GLU A 74 10.315 15.291 5.549 1.00 0.00 N ATOM 1082 CA GLU A 74 10.931 15.170 4.238 1.00 0.00 C ATOM 1083 C GLU A 74 9.987 14.452 3.272 1.00 0.00 C ATOM 1084 O GLU A 74 9.566 15.024 2.268 1.00 0.00 O ATOM 1085 CB GLU A 74 12.276 14.448 4.329 1.00 0.00 C ATOM 1086 CG GLU A 74 13.407 15.432 4.639 1.00 0.00 C ATOM 1087 CD GLU A 74 13.638 16.388 3.467 1.00 0.00 C ATOM 1088 OE1 GLU A 74 14.145 15.905 2.431 1.00 0.00 O ATOM 1089 OE2 GLU A 74 13.302 17.580 3.633 1.00 0.00 O ATOM 0 H GLU A 74 10.766 14.746 6.284 1.00 0.00 H new ATOM 0 HA GLU A 74 11.119 16.172 3.853 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.231 13.684 5.105 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.482 13.936 3.389 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.163 16.002 5.535 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.324 14.882 4.851 1.00 0.00 H new ATOM 1096 N ALA A 75 9.682 13.207 3.610 1.00 0.00 N ATOM 1097 CA ALA A 75 8.795 12.404 2.784 1.00 0.00 C ATOM 1098 C ALA A 75 7.558 13.228 2.421 1.00 0.00 C ATOM 1099 O ALA A 75 7.158 13.274 1.259 1.00 0.00 O ATOM 1100 CB ALA A 75 8.439 11.113 3.524 1.00 0.00 C ATOM 0 H ALA A 75 10.033 12.735 4.443 1.00 0.00 H new ATOM 0 HA ALA A 75 9.287 12.122 1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.774 10.511 2.905 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.349 10.551 3.733 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.940 11.357 4.462 1.00 0.00 H new ATOM 1106 N VAL A 76 6.987 13.858 3.437 1.00 0.00 N ATOM 1107 CA VAL A 76 5.804 14.678 3.239 1.00 0.00 C ATOM 1108 C VAL A 76 6.119 15.786 2.232 1.00 0.00 C ATOM 1109 O VAL A 76 5.425 15.931 1.226 1.00 0.00 O ATOM 1110 CB VAL A 76 5.309 15.216 4.583 1.00 0.00 C ATOM 1111 CG1 VAL A 76 4.067 16.091 4.400 1.00 0.00 C ATOM 1112 CG2 VAL A 76 5.034 14.073 5.563 1.00 0.00 C ATOM 0 H VAL A 76 7.322 13.817 4.400 1.00 0.00 H new ATOM 0 HA VAL A 76 4.992 14.082 2.823 1.00 0.00 H new ATOM 0 HB VAL A 76 6.098 15.838 5.006 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.736 16.460 5.371 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.308 16.935 3.754 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.271 15.502 3.945 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.683 14.482 6.510 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.272 13.414 5.148 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.951 13.508 5.729 1.00 0.00 H new ATOM 1122 N LYS A 77 7.165 16.539 2.536 1.00 0.00 N ATOM 1123 CA LYS A 77 7.580 17.629 1.670 1.00 0.00 C ATOM 1124 C LYS A 77 7.931 17.072 0.289 1.00 0.00 C ATOM 1125 O LYS A 77 7.934 17.807 -0.698 1.00 0.00 O ATOM 1126 CB LYS A 77 8.715 18.426 2.318 1.00 0.00 C ATOM 1127 CG LYS A 77 8.165 19.474 3.287 1.00 0.00 C ATOM 1128 CD LYS A 77 9.299 20.185 4.027 1.00 0.00 C ATOM 1129 CE LYS A 77 8.749 21.230 5.000 1.00 0.00 C ATOM 1130 NZ LYS A 77 9.477 22.510 4.853 1.00 0.00 N ATOM 0 H LYS A 77 7.738 16.416 3.371 1.00 0.00 H new ATOM 0 HA LYS A 77 6.763 18.337 1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.382 17.748 2.850 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.308 18.916 1.545 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.570 20.204 2.739 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.500 18.996 4.006 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.896 19.454 4.572 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.962 20.666 3.308 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.687 21.386 4.813 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.843 20.867 6.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.091 23.208 5.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.486 22.360 5.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.366 22.863 3.881 1.00 0.00 H new ATOM 1144 N ALA A 78 8.217 15.779 0.263 1.00 0.00 N ATOM 1145 CA ALA A 78 8.568 15.115 -0.981 1.00 0.00 C ATOM 1146 C ALA A 78 7.290 14.671 -1.696 1.00 0.00 C ATOM 1147 O ALA A 78 7.208 14.728 -2.922 1.00 0.00 O ATOM 1148 CB ALA A 78 9.508 13.944 -0.688 1.00 0.00 C ATOM 0 H ALA A 78 8.213 15.173 1.084 1.00 0.00 H new ATOM 0 HA ALA A 78 9.097 15.799 -1.645 1.00 0.00 H new ATOM 0 HB1 ALA A 78 9.771 13.446 -1.621 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.413 14.315 -0.207 1.00 0.00 H new ATOM 0 HB3 ALA A 78 9.011 13.235 -0.026 1.00 0.00 H new ATOM 1154 N LEU A 79 6.324 14.240 -0.898 1.00 0.00 N ATOM 1155 CA LEU A 79 5.053 13.786 -1.439 1.00 0.00 C ATOM 1156 C LEU A 79 4.484 14.865 -2.363 1.00 0.00 C ATOM 1157 O LEU A 79 4.317 14.636 -3.560 1.00 0.00 O ATOM 1158 CB LEU A 79 4.104 13.381 -0.310 1.00 0.00 C ATOM 1159 CG LEU A 79 4.260 11.952 0.216 1.00 0.00 C ATOM 1160 CD1 LEU A 79 3.754 11.840 1.656 1.00 0.00 C ATOM 1161 CD2 LEU A 79 3.574 10.948 -0.712 1.00 0.00 C ATOM 0 H LEU A 79 6.395 14.195 0.119 1.00 0.00 H new ATOM 0 HA LEU A 79 5.194 12.889 -2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.245 14.071 0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.080 13.509 -0.660 1.00 0.00 H new ATOM 0 HG LEU A 79 5.322 11.706 0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.876 10.815 2.006 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.326 12.512 2.296 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.699 12.113 1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.700 9.941 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.511 11.181 -0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.021 11.005 -1.704 1.00 0.00 H new ATOM 1257 N LEU A 85 1.654 12.379 -9.236 1.00 0.00 N ATOM 1258 CA LEU A 85 2.373 11.794 -8.116 1.00 0.00 C ATOM 1259 C LEU A 85 2.240 10.271 -8.171 1.00 0.00 C ATOM 1260 O LEU A 85 1.192 9.723 -7.834 1.00 0.00 O ATOM 1261 CB LEU A 85 1.898 12.406 -6.797 1.00 0.00 C ATOM 1262 CG LEU A 85 2.456 11.769 -5.523 1.00 0.00 C ATOM 1263 CD1 LEU A 85 3.919 11.361 -5.710 1.00 0.00 C ATOM 1264 CD2 LEU A 85 2.270 12.696 -4.320 1.00 0.00 C ATOM 0 HA LEU A 85 3.436 12.024 -8.183 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.160 13.464 -6.795 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.810 12.347 -6.763 1.00 0.00 H new ATOM 0 HG LEU A 85 1.891 10.859 -5.320 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.292 10.911 -4.790 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.994 10.639 -6.523 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.515 12.242 -5.950 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.675 12.219 -3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.794 13.635 -4.500 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.208 12.895 -4.175 1.00 0.00 H new ATOM 1276 N VAL A 86 3.319 9.630 -8.597 1.00 0.00 N ATOM 1277 CA VAL A 86 3.336 8.181 -8.700 1.00 0.00 C ATOM 1278 C VAL A 86 3.929 7.590 -7.419 1.00 0.00 C ATOM 1279 O VAL A 86 5.146 7.571 -7.245 1.00 0.00 O ATOM 1280 CB VAL A 86 4.092 7.754 -9.960 1.00 0.00 C ATOM 1281 CG1 VAL A 86 4.407 6.258 -9.930 1.00 0.00 C ATOM 1282 CG2 VAL A 86 3.309 8.125 -11.221 1.00 0.00 C ATOM 0 H VAL A 86 4.187 10.088 -8.875 1.00 0.00 H new ATOM 0 HA VAL A 86 2.322 7.794 -8.799 1.00 0.00 H new ATOM 0 HB VAL A 86 5.038 8.294 -9.982 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.944 5.981 -10.837 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.024 6.033 -9.060 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.478 5.692 -9.872 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.868 7.811 -12.102 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.341 7.625 -11.208 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.160 9.204 -11.252 1.00 0.00 H new ATOM 1292 N LEU A 87 3.040 7.122 -6.555 1.00 0.00 N ATOM 1293 CA LEU A 87 3.460 6.533 -5.295 1.00 0.00 C ATOM 1294 C LEU A 87 4.052 5.147 -5.557 1.00 0.00 C ATOM 1295 O LEU A 87 3.444 4.328 -6.246 1.00 0.00 O ATOM 1296 CB LEU A 87 2.302 6.527 -4.294 1.00 0.00 C ATOM 1297 CG LEU A 87 1.636 7.880 -4.032 1.00 0.00 C ATOM 1298 CD1 LEU A 87 2.675 9.002 -3.978 1.00 0.00 C ATOM 1299 CD2 LEU A 87 0.541 8.160 -5.063 1.00 0.00 C ATOM 0 H LEU A 87 2.031 7.139 -6.703 1.00 0.00 H new ATOM 0 HA LEU A 87 4.245 7.134 -4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.542 5.833 -4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.669 6.135 -3.346 1.00 0.00 H new ATOM 0 HG LEU A 87 1.155 7.841 -3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.175 9.952 -3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.386 8.802 -3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.206 9.053 -4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.084 9.127 -4.854 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.977 8.172 -6.062 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.219 7.380 -5.008 1.00 0.00 H new ATOM 1311 N SER A 88 5.231 4.926 -4.995 1.00 0.00 N ATOM 1312 CA SER A 88 5.912 3.653 -5.160 1.00 0.00 C ATOM 1313 C SER A 88 5.808 2.833 -3.873 1.00 0.00 C ATOM 1314 O SER A 88 6.372 3.209 -2.846 1.00 0.00 O ATOM 1315 CB SER A 88 7.380 3.859 -5.541 1.00 0.00 C ATOM 1316 OG SER A 88 7.540 4.106 -6.935 1.00 0.00 O ATOM 0 H SER A 88 5.732 5.607 -4.425 1.00 0.00 H new ATOM 0 HA SER A 88 5.427 3.108 -5.970 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.787 4.697 -4.975 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.955 2.976 -5.261 1.00 0.00 H new ATOM 0 HG SER A 88 8.466 3.919 -7.196 1.00 0.00 H new ATOM 1322 N VAL A 89 5.083 1.729 -3.970 1.00 0.00 N ATOM 1323 CA VAL A 89 4.897 0.853 -2.825 1.00 0.00 C ATOM 1324 C VAL A 89 5.200 -0.589 -3.238 1.00 0.00 C ATOM 1325 O VAL A 89 4.750 -1.045 -4.288 1.00 0.00 O ATOM 1326 CB VAL A 89 3.488 1.028 -2.255 1.00 0.00 C ATOM 1327 CG1 VAL A 89 3.470 2.093 -1.157 1.00 0.00 C ATOM 1328 CG2 VAL A 89 2.487 1.364 -3.361 1.00 0.00 C ATOM 0 H VAL A 89 4.617 1.420 -4.823 1.00 0.00 H new ATOM 0 HA VAL A 89 5.591 1.116 -2.026 1.00 0.00 H new ATOM 0 HB VAL A 89 3.187 0.080 -1.808 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.457 2.198 -0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.139 1.795 -0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.801 3.046 -1.569 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.494 1.483 -2.929 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.783 2.292 -3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.470 0.557 -4.093 1.00 0.00 H new ATOM 1338 N TYR A 90 5.960 -1.266 -2.390 1.00 0.00 N ATOM 1339 CA TYR A 90 6.328 -2.647 -2.654 1.00 0.00 C ATOM 1340 C TYR A 90 5.219 -3.604 -2.213 1.00 0.00 C ATOM 1341 O TYR A 90 4.748 -3.534 -1.078 1.00 0.00 O ATOM 1342 CB TYR A 90 7.580 -2.917 -1.817 1.00 0.00 C ATOM 1343 CG TYR A 90 7.747 -4.380 -1.401 1.00 0.00 C ATOM 1344 CD1 TYR A 90 8.011 -5.343 -2.354 1.00 0.00 C ATOM 1345 CD2 TYR A 90 7.634 -4.736 -0.072 1.00 0.00 C ATOM 1346 CE1 TYR A 90 8.168 -6.719 -1.962 1.00 0.00 C ATOM 1347 CE2 TYR A 90 7.792 -6.113 0.320 1.00 0.00 C ATOM 1348 CZ TYR A 90 8.051 -7.036 -0.644 1.00 0.00 C ATOM 1349 OH TYR A 90 8.199 -8.337 -0.274 1.00 0.00 O ATOM 0 H TYR A 90 6.331 -0.884 -1.520 1.00 0.00 H new ATOM 0 HA TYR A 90 6.496 -2.802 -3.720 1.00 0.00 H new ATOM 0 HB2 TYR A 90 8.458 -2.609 -2.385 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.546 -2.297 -0.921 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.100 -5.064 -3.394 1.00 0.00 H new ATOM 0 HD2 TYR A 90 7.427 -3.982 0.673 1.00 0.00 H new ATOM 0 HE1 TYR A 90 8.374 -7.483 -2.697 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.707 -6.406 1.356 1.00 0.00 H new ATOM 0 HH TYR A 90 8.091 -8.415 0.697 1.00 0.00 H new ATOM 1359 N SER A 91 4.833 -4.476 -3.133 1.00 0.00 N ATOM 1360 CA SER A 91 3.788 -5.446 -2.853 1.00 0.00 C ATOM 1361 C SER A 91 4.391 -6.847 -2.739 1.00 0.00 C ATOM 1362 O SER A 91 5.358 -7.168 -3.428 1.00 0.00 O ATOM 1363 CB SER A 91 2.708 -5.419 -3.936 1.00 0.00 C ATOM 1364 OG SER A 91 1.599 -6.252 -3.606 1.00 0.00 O ATOM 0 H SER A 91 5.225 -4.531 -4.073 1.00 0.00 H new ATOM 0 HA SER A 91 3.320 -5.181 -1.905 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.363 -4.395 -4.078 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.137 -5.745 -4.884 1.00 0.00 H new ATOM 0 HG SER A 91 0.931 -6.206 -4.321 1.00 0.00 H new