USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=12 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 150:sc= -1.93! USER MOD Set 1.2: A 58 GLN : amide:sc= -5.04! C(o=-7!,f=-0.75!) 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 USER MOD Single : A 33 HIS : no HD1:sc= -0.293 X(o=-0.29,f=-0.093) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -103:sc= 0.562 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.701 K(o=-0.7,f=-0.068) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= -0.114 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0835 USER MOD Single : A 72 HIS : no HE2:sc= -0.626 K(o=-0.63,f=-2.6) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180: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 6.435 -4.573 -6.927 1.00 0.00 N ATOM 82 CA VAL A 9 6.217 -3.180 -6.576 1.00 0.00 C ATOM 83 C VAL A 9 5.123 -2.599 -7.474 1.00 0.00 C ATOM 84 O VAL A 9 5.218 -2.668 -8.698 1.00 0.00 O ATOM 85 CB VAL A 9 7.534 -2.406 -6.662 1.00 0.00 C ATOM 86 CG1 VAL A 9 7.287 -0.897 -6.618 1.00 0.00 C ATOM 87 CG2 VAL A 9 8.496 -2.837 -5.552 1.00 0.00 C ATOM 0 HA VAL A 9 5.872 -3.095 -5.545 1.00 0.00 H new ATOM 0 HB VAL A 9 7.999 -2.641 -7.619 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.239 -0.370 -6.681 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.656 -0.607 -7.458 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.789 -0.637 -5.684 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.424 -2.272 -5.635 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.040 -2.645 -4.581 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.709 -3.902 -5.648 1.00 0.00 H new ATOM 97 N ARG A 10 4.110 -2.038 -6.830 1.00 0.00 N ATOM 98 CA ARG A 10 2.999 -1.445 -7.555 1.00 0.00 C ATOM 99 C ARG A 10 3.214 0.061 -7.717 1.00 0.00 C ATOM 100 O ARG A 10 4.045 0.650 -7.027 1.00 0.00 O ATOM 101 CB ARG A 10 1.674 -1.688 -6.828 1.00 0.00 C ATOM 102 CG ARG A 10 1.728 -1.151 -5.396 1.00 0.00 C ATOM 103 CD ARG A 10 1.412 -2.254 -4.384 1.00 0.00 C ATOM 104 NE ARG A 10 -0.042 -2.289 -4.111 1.00 0.00 N ATOM 105 CZ ARG A 10 -0.693 -3.365 -3.648 1.00 0.00 C ATOM 106 NH1 ARG A 10 -0.024 -4.500 -3.404 1.00 0.00 N ATOM 107 NH2 ARG A 10 -2.014 -3.305 -3.429 1.00 0.00 N ATOM 0 H ARG A 10 4.035 -1.982 -5.814 1.00 0.00 H new ATOM 0 HA ARG A 10 2.954 -1.917 -8.536 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.863 -1.204 -7.371 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.454 -2.756 -6.812 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.718 -0.741 -5.195 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.015 -0.334 -5.283 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.741 -3.219 -4.770 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.960 -2.078 -3.458 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.582 -1.442 -4.286 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.981 -4.545 -3.571 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.520 -5.319 -3.052 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.523 -2.441 -3.615 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.510 -4.124 -3.077 1.00 0.00 H new ATOM 121 N LEU A 11 2.452 0.640 -8.633 1.00 0.00 N ATOM 122 CA LEU A 11 2.550 2.066 -8.894 1.00 0.00 C ATOM 123 C LEU A 11 1.192 2.722 -8.635 1.00 0.00 C ATOM 124 O LEU A 11 0.251 2.534 -9.404 1.00 0.00 O ATOM 125 CB LEU A 11 3.095 2.317 -10.302 1.00 0.00 C ATOM 126 CG LEU A 11 4.575 1.995 -10.515 1.00 0.00 C ATOM 127 CD1 LEU A 11 4.990 2.254 -11.965 1.00 0.00 C ATOM 128 CD2 LEU A 11 5.452 2.763 -9.523 1.00 0.00 C ATOM 0 H LEU A 11 1.764 0.148 -9.203 1.00 0.00 H new ATOM 0 HA LEU A 11 3.264 2.529 -8.213 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.510 1.727 -11.007 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.932 3.365 -10.552 1.00 0.00 H new ATOM 0 HG LEU A 11 4.724 0.933 -10.322 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.047 2.017 -12.089 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.397 1.627 -12.631 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.822 3.303 -12.210 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.499 2.516 -9.696 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.304 3.834 -9.660 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.178 2.487 -8.505 1.00 0.00 H new ATOM 140 N VAL A 12 1.134 3.479 -7.549 1.00 0.00 N ATOM 141 CA VAL A 12 -0.093 4.163 -7.178 1.00 0.00 C ATOM 142 C VAL A 12 0.015 5.640 -7.564 1.00 0.00 C ATOM 143 O VAL A 12 1.076 6.246 -7.422 1.00 0.00 O ATOM 144 CB VAL A 12 -0.381 3.953 -5.690 1.00 0.00 C ATOM 145 CG1 VAL A 12 -1.589 4.780 -5.244 1.00 0.00 C ATOM 146 CG2 VAL A 12 -0.584 2.470 -5.375 1.00 0.00 C ATOM 0 H VAL A 12 1.917 3.634 -6.914 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.941 3.746 -7.721 1.00 0.00 H new ATOM 0 HB VAL A 12 0.487 4.298 -5.128 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.773 4.613 -4.183 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.389 5.838 -5.416 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.467 4.479 -5.816 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.787 2.349 -4.311 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.427 2.088 -5.951 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.317 1.916 -5.638 1.00 0.00 H new ATOM 156 N SER A 13 -1.097 6.176 -8.045 1.00 0.00 N ATOM 157 CA SER A 13 -1.140 7.570 -8.452 1.00 0.00 C ATOM 158 C SER A 13 -2.308 8.280 -7.765 1.00 0.00 C ATOM 159 O SER A 13 -3.469 7.989 -8.049 1.00 0.00 O ATOM 160 CB SER A 13 -1.261 7.696 -9.972 1.00 0.00 C ATOM 161 OG SER A 13 -0.435 6.756 -10.654 1.00 0.00 O ATOM 0 H SER A 13 -1.975 5.670 -8.162 1.00 0.00 H new ATOM 0 HA SER A 13 -0.207 8.044 -8.149 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.300 7.546 -10.266 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.986 8.706 -10.275 1.00 0.00 H new ATOM 0 HG SER A 13 -0.542 6.868 -11.622 1.00 0.00 H new ATOM 167 N LEU A 14 -1.960 9.198 -6.875 1.00 0.00 N ATOM 168 CA LEU A 14 -2.966 9.952 -6.146 1.00 0.00 C ATOM 169 C LEU A 14 -2.977 11.397 -6.648 1.00 0.00 C ATOM 170 O LEU A 14 -1.952 12.076 -6.618 1.00 0.00 O ATOM 171 CB LEU A 14 -2.740 9.826 -4.638 1.00 0.00 C ATOM 172 CG LEU A 14 -3.318 8.574 -3.975 1.00 0.00 C ATOM 173 CD1 LEU A 14 -4.816 8.446 -4.256 1.00 0.00 C ATOM 174 CD2 LEU A 14 -2.546 7.323 -4.401 1.00 0.00 C ATOM 0 H LEU A 14 -0.996 9.437 -6.642 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.959 9.543 -6.332 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.667 9.851 -4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.170 10.702 -4.152 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.201 8.674 -2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.201 7.548 -3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.336 9.320 -3.864 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.980 8.379 -5.331 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.977 6.447 -3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.610 7.207 -5.483 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.501 7.423 -4.108 1.00 0.00 H new ATOM 315 N LEU A 23 -3.555 12.947 -0.835 1.00 0.00 N ATOM 316 CA LEU A 23 -3.495 11.685 -1.552 1.00 0.00 C ATOM 317 C LEU A 23 -4.693 10.820 -1.153 1.00 0.00 C ATOM 318 O LEU A 23 -5.436 10.349 -2.013 1.00 0.00 O ATOM 319 CB LEU A 23 -2.144 11.004 -1.327 1.00 0.00 C ATOM 320 CG LEU A 23 -0.969 11.933 -1.011 1.00 0.00 C ATOM 321 CD1 LEU A 23 0.366 11.207 -1.183 1.00 0.00 C ATOM 322 CD2 LEU A 23 -1.039 13.210 -1.851 1.00 0.00 C ATOM 0 HA LEU A 23 -3.566 11.854 -2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.250 10.293 -0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.897 10.428 -2.219 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.041 12.231 0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.184 11.890 -0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.405 10.352 -0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.462 10.861 -2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.193 13.853 -1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.005 12.952 -2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.969 13.737 -1.636 1.00 0.00 H new ATOM 334 N GLY A 24 -4.843 10.638 0.150 1.00 0.00 N ATOM 335 CA GLY A 24 -5.938 9.838 0.673 1.00 0.00 C ATOM 336 C GLY A 24 -5.425 8.781 1.654 1.00 0.00 C ATOM 337 O GLY A 24 -6.214 8.055 2.258 1.00 0.00 O ATOM 0 H GLY A 24 -4.225 11.031 0.860 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.659 10.485 1.174 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.463 9.352 -0.149 1.00 0.00 H new ATOM 341 N PHE A 25 -4.108 8.728 1.782 1.00 0.00 N ATOM 342 CA PHE A 25 -3.481 7.773 2.679 1.00 0.00 C ATOM 343 C PHE A 25 -2.450 8.459 3.577 1.00 0.00 C ATOM 344 O PHE A 25 -1.687 9.307 3.117 1.00 0.00 O ATOM 345 CB PHE A 25 -2.769 6.738 1.804 1.00 0.00 C ATOM 346 CG PHE A 25 -1.531 7.277 1.086 1.00 0.00 C ATOM 347 CD1 PHE A 25 -1.654 7.863 -0.136 1.00 0.00 C ATOM 348 CD2 PHE A 25 -0.306 7.171 1.668 1.00 0.00 C ATOM 349 CE1 PHE A 25 -0.505 8.363 -0.803 1.00 0.00 C ATOM 350 CE2 PHE A 25 0.843 7.671 1.001 1.00 0.00 C ATOM 351 CZ PHE A 25 0.719 8.256 -0.220 1.00 0.00 C ATOM 0 H PHE A 25 -3.457 9.331 1.279 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.234 7.315 3.320 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.476 5.892 2.425 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.472 6.360 1.061 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.626 7.948 -0.599 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.208 6.706 2.638 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.603 8.828 -1.773 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.815 7.587 1.463 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.593 8.636 -0.727 1.00 0.00 H new ATOM 361 N SER A 26 -2.460 8.066 4.843 1.00 0.00 N ATOM 362 CA SER A 26 -1.535 8.633 5.810 1.00 0.00 C ATOM 363 C SER A 26 -0.261 7.788 5.873 1.00 0.00 C ATOM 364 O SER A 26 -0.319 6.563 5.774 1.00 0.00 O ATOM 365 CB SER A 26 -2.178 8.729 7.195 1.00 0.00 C ATOM 366 OG SER A 26 -2.079 10.042 7.739 1.00 0.00 O ATOM 0 H SER A 26 -3.094 7.362 5.221 1.00 0.00 H new ATOM 0 HA SER A 26 -1.278 9.642 5.488 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.228 8.442 7.128 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.696 8.020 7.868 1.00 0.00 H new ATOM 0 HG SER A 26 -2.502 10.063 8.623 1.00 0.00 H new ATOM 372 N ILE A 27 0.859 8.475 6.037 1.00 0.00 N ATOM 373 CA ILE A 27 2.145 7.803 6.115 1.00 0.00 C ATOM 374 C ILE A 27 2.657 7.856 7.556 1.00 0.00 C ATOM 375 O ILE A 27 2.148 8.623 8.371 1.00 0.00 O ATOM 376 CB ILE A 27 3.120 8.392 5.094 1.00 0.00 C ATOM 377 CG1 ILE A 27 3.444 9.851 5.423 1.00 0.00 C ATOM 378 CG2 ILE A 27 2.585 8.232 3.669 1.00 0.00 C ATOM 379 CD1 ILE A 27 4.597 10.365 4.559 1.00 0.00 C ATOM 0 H ILE A 27 0.903 9.491 6.118 1.00 0.00 H new ATOM 0 HA ILE A 27 2.041 6.750 5.852 1.00 0.00 H new ATOM 0 HB ILE A 27 4.054 7.833 5.153 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.561 10.469 5.262 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.707 9.940 6.477 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.297 8.659 2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.446 7.173 3.449 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.630 8.749 3.579 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.807 11.404 4.813 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.486 9.760 4.741 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.321 10.297 3.507 1.00 0.00 H new ATOM 391 N ARG A 28 3.658 7.031 7.825 1.00 0.00 N ATOM 392 CA ARG A 28 4.245 6.974 9.153 1.00 0.00 C ATOM 393 C ARG A 28 5.735 6.641 9.061 1.00 0.00 C ATOM 394 O ARG A 28 6.255 6.397 7.973 1.00 0.00 O ATOM 395 CB ARG A 28 3.547 5.923 10.018 1.00 0.00 C ATOM 396 CG ARG A 28 3.859 4.509 9.523 1.00 0.00 C ATOM 397 CD ARG A 28 4.309 3.610 10.676 1.00 0.00 C ATOM 398 NE ARG A 28 5.357 4.291 11.469 1.00 0.00 N ATOM 399 CZ ARG A 28 5.601 4.043 12.763 1.00 0.00 C ATOM 400 NH1 ARG A 28 4.873 3.128 13.418 1.00 0.00 N ATOM 401 NH2 ARG A 28 6.572 4.709 13.402 1.00 0.00 N ATOM 0 H ARG A 28 4.078 6.396 7.146 1.00 0.00 H new ATOM 0 HA ARG A 28 4.116 7.953 9.615 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.868 6.028 11.054 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.470 6.089 10.000 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.975 4.083 9.049 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.640 4.550 8.763 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.458 3.369 11.313 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.692 2.667 10.285 1.00 0.00 H new ATOM 0 HE ARG A 28 5.930 4.993 11.001 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.134 2.621 12.931 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.058 2.939 14.403 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.126 5.405 12.903 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.757 4.520 14.387 1.00 0.00 H new ATOM 415 N GLY A 29 6.382 6.643 10.217 1.00 0.00 N ATOM 416 CA GLY A 29 7.802 6.344 10.281 1.00 0.00 C ATOM 417 C GLY A 29 8.637 7.620 10.148 1.00 0.00 C ATOM 418 O GLY A 29 8.222 8.688 10.596 1.00 0.00 O ATOM 0 H GLY A 29 5.948 6.847 11.117 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.032 5.852 11.226 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.067 5.647 9.486 1.00 0.00 H new ATOM 422 N GLY A 30 9.799 7.467 9.530 1.00 0.00 N ATOM 423 CA GLY A 30 10.695 8.593 9.332 1.00 0.00 C ATOM 424 C GLY A 30 12.111 8.256 9.806 1.00 0.00 C ATOM 425 O GLY A 30 12.294 7.392 10.662 1.00 0.00 O ATOM 0 H GLY A 30 10.140 6.580 9.160 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.716 8.865 8.277 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.322 9.460 9.877 1.00 0.00 H new ATOM 429 N SER A 31 13.076 8.956 9.228 1.00 0.00 N ATOM 430 CA SER A 31 14.469 8.743 9.580 1.00 0.00 C ATOM 431 C SER A 31 14.690 9.063 11.059 1.00 0.00 C ATOM 432 O SER A 31 15.517 8.435 11.718 1.00 0.00 O ATOM 433 CB SER A 31 15.394 9.595 8.708 1.00 0.00 C ATOM 434 OG SER A 31 16.752 9.514 9.133 1.00 0.00 O ATOM 0 H SER A 31 12.920 9.672 8.518 1.00 0.00 H new ATOM 0 HA SER A 31 14.710 7.695 9.402 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.318 9.267 7.671 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.066 10.634 8.739 1.00 0.00 H new ATOM 0 HG SER A 31 17.311 10.070 8.551 1.00 0.00 H new ATOM 440 N GLU A 32 13.936 10.041 11.539 1.00 0.00 N ATOM 441 CA GLU A 32 14.039 10.453 12.929 1.00 0.00 C ATOM 442 C GLU A 32 13.671 9.292 13.855 1.00 0.00 C ATOM 443 O GLU A 32 14.123 9.237 14.998 1.00 0.00 O ATOM 444 CB GLU A 32 13.160 11.675 13.205 1.00 0.00 C ATOM 445 CG GLU A 32 11.681 11.344 12.996 1.00 0.00 C ATOM 446 CD GLU A 32 10.829 12.616 13.004 1.00 0.00 C ATOM 447 OE1 GLU A 32 11.156 13.522 12.208 1.00 0.00 O ATOM 448 OE2 GLU A 32 9.871 12.652 13.806 1.00 0.00 O ATOM 0 H GLU A 32 13.251 10.560 10.990 1.00 0.00 H new ATOM 0 HA GLU A 32 15.072 10.737 13.128 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.319 12.018 14.227 1.00 0.00 H new ATOM 0 HB3 GLU A 32 13.450 12.493 12.545 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.552 10.821 12.048 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.341 10.669 13.781 1.00 0.00 H new ATOM 455 N HIS A 33 12.854 8.392 13.327 1.00 0.00 N ATOM 456 CA HIS A 33 12.420 7.235 14.092 1.00 0.00 C ATOM 457 C HIS A 33 13.355 6.056 13.814 1.00 0.00 C ATOM 458 O HIS A 33 13.438 5.124 14.612 1.00 0.00 O ATOM 459 CB HIS A 33 10.954 6.911 13.802 1.00 0.00 C ATOM 460 CG HIS A 33 9.983 7.533 14.778 1.00 0.00 C ATOM 461 ND1 HIS A 33 8.655 7.150 14.861 1.00 0.00 N ATOM 462 CD2 HIS A 33 10.160 8.513 15.709 1.00 0.00 C ATOM 463 CE1 HIS A 33 8.070 7.875 15.803 1.00 0.00 C ATOM 464 NE2 HIS A 33 9.004 8.719 16.327 1.00 0.00 N ATOM 0 H HIS A 33 12.481 8.441 12.379 1.00 0.00 H new ATOM 0 HA HIS A 33 12.478 7.456 15.158 1.00 0.00 H new ATOM 0 HB2 HIS A 33 10.710 7.251 12.796 1.00 0.00 H new ATOM 0 HB3 HIS A 33 10.822 5.829 13.814 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.085 9.034 15.910 1.00 0.00 H new ATOM 0 HE1 HIS A 33 7.035 7.809 16.103 1.00 0.00 H new ATOM 0 HE2 HIS A 33 8.841 9.397 17.071 1.00 0.00 H new ATOM 472 N GLY A 34 14.034 6.136 12.679 1.00 0.00 N ATOM 473 CA GLY A 34 14.959 5.087 12.285 1.00 0.00 C ATOM 474 C GLY A 34 14.355 4.207 11.188 1.00 0.00 C ATOM 475 O GLY A 34 15.009 3.290 10.693 1.00 0.00 O ATOM 0 H GLY A 34 13.962 6.911 12.020 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.888 5.532 11.929 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.210 4.474 13.151 1.00 0.00 H new ATOM 479 N VAL A 35 13.115 4.517 10.841 1.00 0.00 N ATOM 480 CA VAL A 35 12.416 3.766 9.812 1.00 0.00 C ATOM 481 C VAL A 35 12.197 4.663 8.592 1.00 0.00 C ATOM 482 O VAL A 35 12.400 5.874 8.663 1.00 0.00 O ATOM 483 CB VAL A 35 11.113 3.194 10.375 1.00 0.00 C ATOM 484 CG1 VAL A 35 11.300 2.727 11.820 1.00 0.00 C ATOM 485 CG2 VAL A 35 9.977 4.212 10.270 1.00 0.00 C ATOM 0 H VAL A 35 12.576 5.278 11.254 1.00 0.00 H new ATOM 0 HA VAL A 35 13.015 2.915 9.487 1.00 0.00 H new ATOM 0 HB VAL A 35 10.840 2.326 9.775 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.360 2.325 12.197 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.066 1.953 11.856 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.608 3.571 12.438 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.063 3.780 10.677 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.238 5.108 10.834 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.820 4.475 9.224 1.00 0.00 H new ATOM 495 N GLY A 36 11.785 4.034 7.501 1.00 0.00 N ATOM 496 CA GLY A 36 11.536 4.761 6.267 1.00 0.00 C ATOM 497 C GLY A 36 10.135 5.375 6.266 1.00 0.00 C ATOM 498 O GLY A 36 9.797 6.162 7.150 1.00 0.00 O ATOM 0 H GLY A 36 11.617 3.029 7.446 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.282 5.547 6.147 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.643 4.088 5.416 1.00 0.00 H new ATOM 502 N ILE A 37 9.357 4.993 5.264 1.00 0.00 N ATOM 503 CA ILE A 37 8.000 5.496 5.137 1.00 0.00 C ATOM 504 C ILE A 37 7.049 4.326 4.874 1.00 0.00 C ATOM 505 O ILE A 37 7.427 3.347 4.233 1.00 0.00 O ATOM 506 CB ILE A 37 7.933 6.594 4.072 1.00 0.00 C ATOM 507 CG1 ILE A 37 9.182 7.476 4.116 1.00 0.00 C ATOM 508 CG2 ILE A 37 6.648 7.412 4.209 1.00 0.00 C ATOM 509 CD1 ILE A 37 9.220 8.310 5.399 1.00 0.00 C ATOM 0 H ILE A 37 9.641 4.341 4.533 1.00 0.00 H new ATOM 0 HA ILE A 37 7.679 5.965 6.067 1.00 0.00 H new ATOM 0 HB ILE A 37 7.909 6.119 3.091 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.074 6.852 4.057 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.196 8.136 3.249 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.625 8.185 3.441 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.785 6.757 4.090 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.617 7.878 5.194 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.118 8.928 5.405 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.339 8.950 5.443 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.230 7.647 6.264 1.00 0.00 H new ATOM 521 N TYR A 38 5.833 4.468 5.382 1.00 0.00 N ATOM 522 CA TYR A 38 4.826 3.435 5.210 1.00 0.00 C ATOM 523 C TYR A 38 3.424 3.986 5.481 1.00 0.00 C ATOM 524 O TYR A 38 3.269 4.968 6.204 1.00 0.00 O ATOM 525 CB TYR A 38 5.146 2.357 6.247 1.00 0.00 C ATOM 526 CG TYR A 38 6.583 1.836 6.180 1.00 0.00 C ATOM 527 CD1 TYR A 38 7.588 2.497 6.857 1.00 0.00 C ATOM 528 CD2 TYR A 38 6.875 0.706 5.443 1.00 0.00 C ATOM 529 CE1 TYR A 38 8.941 2.007 6.794 1.00 0.00 C ATOM 530 CE2 TYR A 38 8.227 0.216 5.381 1.00 0.00 C ATOM 531 CZ TYR A 38 9.194 0.891 6.059 1.00 0.00 C ATOM 532 OH TYR A 38 10.471 0.429 6.000 1.00 0.00 O ATOM 0 H TYR A 38 5.523 5.282 5.912 1.00 0.00 H new ATOM 0 HA TYR A 38 4.840 3.051 4.190 1.00 0.00 H new ATOM 0 HB2 TYR A 38 4.963 2.760 7.243 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.460 1.521 6.110 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.360 3.381 7.434 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.089 0.189 4.913 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.737 2.515 7.319 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.468 -0.668 4.809 1.00 0.00 H new ATOM 0 HH TYR A 38 10.462 -0.544 5.885 1.00 0.00 H new ATOM 542 N VAL A 39 2.440 3.329 4.885 1.00 0.00 N ATOM 543 CA VAL A 39 1.057 3.741 5.052 1.00 0.00 C ATOM 544 C VAL A 39 0.517 3.176 6.368 1.00 0.00 C ATOM 545 O VAL A 39 0.683 1.991 6.654 1.00 0.00 O ATOM 546 CB VAL A 39 0.232 3.314 3.836 1.00 0.00 C ATOM 547 CG1 VAL A 39 -1.202 3.838 3.934 1.00 0.00 C ATOM 548 CG2 VAL A 39 0.896 3.773 2.536 1.00 0.00 C ATOM 0 H VAL A 39 2.573 2.514 4.286 1.00 0.00 H new ATOM 0 HA VAL A 39 0.987 4.827 5.110 1.00 0.00 H new ATOM 0 HB VAL A 39 0.190 2.225 3.825 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.766 3.520 3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.674 3.441 4.833 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.189 4.927 3.982 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.290 3.457 1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.983 4.860 2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.889 3.330 2.458 1.00 0.00 H new ATOM 558 N SER A 40 -0.119 4.051 7.134 1.00 0.00 N ATOM 559 CA SER A 40 -0.684 3.654 8.412 1.00 0.00 C ATOM 560 C SER A 40 -2.205 3.822 8.387 1.00 0.00 C ATOM 561 O SER A 40 -2.902 3.324 9.269 1.00 0.00 O ATOM 562 CB SER A 40 -0.080 4.469 9.558 1.00 0.00 C ATOM 563 OG SER A 40 -0.657 5.768 9.651 1.00 0.00 O ATOM 0 H SER A 40 -0.255 5.033 6.894 1.00 0.00 H new ATOM 0 HA SER A 40 -0.443 2.604 8.581 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.229 3.938 10.498 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.996 4.560 9.410 1.00 0.00 H new ATOM 0 HG SER A 40 -0.246 6.256 10.395 1.00 0.00 H new ATOM 569 N LEU A 41 -2.674 4.524 7.366 1.00 0.00 N ATOM 570 CA LEU A 41 -4.099 4.763 7.214 1.00 0.00 C ATOM 571 C LEU A 41 -4.420 4.983 5.734 1.00 0.00 C ATOM 572 O LEU A 41 -3.645 5.611 5.014 1.00 0.00 O ATOM 573 CB LEU A 41 -4.549 5.912 8.117 1.00 0.00 C ATOM 574 CG LEU A 41 -5.963 6.444 7.873 1.00 0.00 C ATOM 575 CD1 LEU A 41 -6.035 7.226 6.560 1.00 0.00 C ATOM 576 CD2 LEU A 41 -6.990 5.311 7.923 1.00 0.00 C ATOM 0 H LEU A 41 -2.092 4.935 6.636 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.668 3.891 7.538 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.481 5.581 9.153 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.847 6.737 7.999 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.211 7.139 8.675 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.050 7.593 6.410 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.346 8.070 6.601 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.760 6.573 5.732 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.987 5.715 7.747 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.756 4.574 7.155 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.960 4.835 8.903 1.00 0.00 H new ATOM 588 N VAL A 42 -5.562 4.452 5.324 1.00 0.00 N ATOM 589 CA VAL A 42 -5.995 4.582 3.943 1.00 0.00 C ATOM 590 C VAL A 42 -7.489 4.910 3.910 1.00 0.00 C ATOM 591 O VAL A 42 -8.298 4.195 4.499 1.00 0.00 O ATOM 592 CB VAL A 42 -5.644 3.314 3.163 1.00 0.00 C ATOM 593 CG1 VAL A 42 -6.586 3.124 1.972 1.00 0.00 C ATOM 594 CG2 VAL A 42 -4.183 3.337 2.708 1.00 0.00 C ATOM 0 H VAL A 42 -6.201 3.931 5.924 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.471 5.403 3.454 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.774 2.463 3.832 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.314 2.215 1.435 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.612 3.041 2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.503 3.980 1.302 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.959 2.424 2.156 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.016 4.201 2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.532 3.403 3.579 1.00 0.00 H new ATOM 604 N GLU A 43 -7.810 5.992 3.215 1.00 0.00 N ATOM 605 CA GLU A 43 -9.193 6.423 3.097 1.00 0.00 C ATOM 606 C GLU A 43 -9.998 5.408 2.283 1.00 0.00 C ATOM 607 O GLU A 43 -9.523 4.908 1.264 1.00 0.00 O ATOM 608 CB GLU A 43 -9.281 7.818 2.476 1.00 0.00 C ATOM 609 CG GLU A 43 -9.190 8.903 3.551 1.00 0.00 C ATOM 610 CD GLU A 43 -8.291 10.054 3.093 1.00 0.00 C ATOM 611 OE1 GLU A 43 -8.666 10.705 2.094 1.00 0.00 O ATOM 612 OE2 GLU A 43 -7.248 10.256 3.753 1.00 0.00 O ATOM 0 H GLU A 43 -7.136 6.583 2.728 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.622 6.479 4.097 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.476 7.949 1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.219 7.919 1.931 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.187 9.282 3.775 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.797 8.475 4.473 1.00 0.00 H new ATOM 619 N PRO A 44 -11.234 5.127 2.775 1.00 0.00 N ATOM 620 CA PRO A 44 -12.109 4.181 2.105 1.00 0.00 C ATOM 621 C PRO A 44 -12.714 4.795 0.840 1.00 0.00 C ATOM 622 O PRO A 44 -12.688 6.012 0.663 1.00 0.00 O ATOM 623 CB PRO A 44 -13.155 3.808 3.143 1.00 0.00 C ATOM 624 CG PRO A 44 -13.103 4.902 4.198 1.00 0.00 C ATOM 625 CD PRO A 44 -11.829 5.700 3.979 1.00 0.00 C ATOM 0 HA PRO A 44 -11.580 3.294 1.756 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.146 3.745 2.694 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.941 2.833 3.580 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.977 5.549 4.120 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.115 4.469 5.198 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.044 6.761 3.848 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.156 5.614 4.832 1.00 0.00 H new ATOM 633 N GLY A 45 -13.245 3.925 -0.006 1.00 0.00 N ATOM 634 CA GLY A 45 -13.855 4.366 -1.248 1.00 0.00 C ATOM 635 C GLY A 45 -13.073 5.529 -1.861 1.00 0.00 C ATOM 636 O GLY A 45 -13.649 6.386 -2.530 1.00 0.00 O ATOM 0 H GLY A 45 -13.265 2.916 0.145 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -13.892 3.536 -1.954 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -14.884 4.673 -1.063 1.00 0.00 H new ATOM 640 N SER A 46 -11.772 5.523 -1.610 1.00 0.00 N ATOM 641 CA SER A 46 -10.905 6.567 -2.128 1.00 0.00 C ATOM 642 C SER A 46 -10.088 6.032 -3.306 1.00 0.00 C ATOM 643 O SER A 46 -10.150 4.845 -3.620 1.00 0.00 O ATOM 644 CB SER A 46 -9.975 7.103 -1.037 1.00 0.00 C ATOM 645 OG SER A 46 -8.714 6.439 -1.038 1.00 0.00 O ATOM 0 H SER A 46 -11.297 4.811 -1.054 1.00 0.00 H new ATOM 0 HA SER A 46 -11.530 7.391 -2.472 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.822 8.172 -1.184 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.449 6.980 -0.063 1.00 0.00 H new ATOM 0 HG SER A 46 -8.682 5.796 -0.299 1.00 0.00 H new ATOM 651 N LEU A 47 -9.342 6.935 -3.926 1.00 0.00 N ATOM 652 CA LEU A 47 -8.515 6.569 -5.063 1.00 0.00 C ATOM 653 C LEU A 47 -7.383 5.654 -4.591 1.00 0.00 C ATOM 654 O LEU A 47 -7.164 4.586 -5.162 1.00 0.00 O ATOM 655 CB LEU A 47 -8.028 7.820 -5.796 1.00 0.00 C ATOM 656 CG LEU A 47 -7.126 7.579 -7.009 1.00 0.00 C ATOM 657 CD1 LEU A 47 -7.573 6.339 -7.786 1.00 0.00 C ATOM 658 CD2 LEU A 47 -7.062 8.821 -7.900 1.00 0.00 C ATOM 0 H LEU A 47 -9.293 7.919 -3.662 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.098 6.007 -5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.899 8.387 -6.123 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.488 8.446 -5.086 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.115 7.388 -6.650 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.916 6.190 -8.643 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.525 5.465 -7.136 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.597 6.477 -8.134 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.415 8.623 -8.754 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.063 9.068 -8.253 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.662 9.659 -7.328 1.00 0.00 H new ATOM 670 N ALA A 48 -6.695 6.104 -3.552 1.00 0.00 N ATOM 671 CA ALA A 48 -5.591 5.339 -2.997 1.00 0.00 C ATOM 672 C ALA A 48 -6.015 3.877 -2.847 1.00 0.00 C ATOM 673 O ALA A 48 -5.473 2.998 -3.516 1.00 0.00 O ATOM 674 CB ALA A 48 -5.158 5.960 -1.667 1.00 0.00 C ATOM 0 H ALA A 48 -6.881 6.989 -3.080 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.730 5.366 -3.665 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.330 5.387 -1.250 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.840 6.989 -1.833 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.996 5.947 -0.970 1.00 0.00 H new ATOM 680 N GLU A 49 -6.980 3.661 -1.966 1.00 0.00 N ATOM 681 CA GLU A 49 -7.483 2.320 -1.719 1.00 0.00 C ATOM 682 C GLU A 49 -7.863 1.645 -3.039 1.00 0.00 C ATOM 683 O GLU A 49 -7.582 0.465 -3.240 1.00 0.00 O ATOM 684 CB GLU A 49 -8.671 2.348 -0.756 1.00 0.00 C ATOM 685 CG GLU A 49 -9.118 0.930 -0.395 1.00 0.00 C ATOM 686 CD GLU A 49 -9.382 0.805 1.107 1.00 0.00 C ATOM 687 OE1 GLU A 49 -8.427 1.053 1.874 1.00 0.00 O ATOM 688 OE2 GLU A 49 -10.533 0.463 1.454 1.00 0.00 O ATOM 0 H GLU A 49 -7.428 4.392 -1.414 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.691 1.737 -1.249 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.397 2.888 0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.500 2.890 -1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.022 0.677 -0.949 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.351 0.216 -0.694 1.00 0.00 H new ATOM 695 N LYS A 50 -8.496 2.424 -3.904 1.00 0.00 N ATOM 696 CA LYS A 50 -8.917 1.916 -5.199 1.00 0.00 C ATOM 697 C LYS A 50 -7.684 1.502 -6.005 1.00 0.00 C ATOM 698 O LYS A 50 -7.739 0.553 -6.786 1.00 0.00 O ATOM 699 CB LYS A 50 -9.804 2.938 -5.913 1.00 0.00 C ATOM 700 CG LYS A 50 -11.248 2.853 -5.415 1.00 0.00 C ATOM 701 CD LYS A 50 -12.126 3.905 -6.096 1.00 0.00 C ATOM 702 CE LYS A 50 -13.414 3.279 -6.635 1.00 0.00 C ATOM 703 NZ LYS A 50 -14.442 3.215 -5.573 1.00 0.00 N ATOM 0 H LYS A 50 -8.727 3.403 -3.734 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.532 1.025 -5.077 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.416 3.943 -5.744 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.775 2.762 -6.988 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.647 1.858 -5.613 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.273 2.997 -4.335 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.371 4.695 -5.386 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.574 4.371 -6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.786 3.865 -7.475 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.209 2.277 -7.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.310 2.788 -5.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.090 2.637 -4.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.650 4.176 -5.233 1.00 0.00 H new ATOM 717 N GLU A 51 -6.601 2.234 -5.788 1.00 0.00 N ATOM 718 CA GLU A 51 -5.357 1.955 -6.484 1.00 0.00 C ATOM 719 C GLU A 51 -4.722 0.672 -5.944 1.00 0.00 C ATOM 720 O GLU A 51 -3.841 0.095 -6.579 1.00 0.00 O ATOM 721 CB GLU A 51 -4.390 3.134 -6.373 1.00 0.00 C ATOM 722 CG GLU A 51 -4.848 4.304 -7.246 1.00 0.00 C ATOM 723 CD GLU A 51 -5.022 3.866 -8.702 1.00 0.00 C ATOM 724 OE1 GLU A 51 -4.039 3.325 -9.253 1.00 0.00 O ATOM 725 OE2 GLU A 51 -6.134 4.082 -9.231 1.00 0.00 O ATOM 0 H GLU A 51 -6.560 3.020 -5.140 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.580 1.809 -7.541 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.322 3.456 -5.334 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.391 2.819 -6.675 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.790 4.699 -6.866 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.118 5.112 -7.190 1.00 0.00 H new ATOM 732 N GLY A 52 -5.195 0.263 -4.775 1.00 0.00 N ATOM 733 CA GLY A 52 -4.684 -0.941 -4.142 1.00 0.00 C ATOM 734 C GLY A 52 -3.925 -0.605 -2.857 1.00 0.00 C ATOM 735 O GLY A 52 -3.633 -1.490 -2.054 1.00 0.00 O ATOM 0 H GLY A 52 -5.926 0.744 -4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.510 -1.615 -3.915 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.024 -1.467 -4.832 1.00 0.00 H new ATOM 739 N LEU A 53 -3.626 0.677 -2.702 1.00 0.00 N ATOM 740 CA LEU A 53 -2.907 1.141 -1.528 1.00 0.00 C ATOM 741 C LEU A 53 -3.589 0.601 -0.270 1.00 0.00 C ATOM 742 O LEU A 53 -4.717 0.114 -0.332 1.00 0.00 O ATOM 743 CB LEU A 53 -2.774 2.665 -1.549 1.00 0.00 C ATOM 744 CG LEU A 53 -1.461 3.232 -1.005 1.00 0.00 C ATOM 745 CD1 LEU A 53 -0.453 3.459 -2.134 1.00 0.00 C ATOM 746 CD2 LEU A 53 -1.707 4.504 -0.192 1.00 0.00 C ATOM 0 H LEU A 53 -3.869 1.408 -3.370 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.888 0.755 -1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.896 3.006 -2.577 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.596 3.089 -0.973 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.026 2.497 -0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.471 3.862 -1.721 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.245 2.512 -2.632 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.867 4.165 -2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.757 4.886 0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.176 5.256 -0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.364 4.278 0.648 1.00 0.00 H new ATOM 758 N ARG A 54 -2.877 0.705 0.842 1.00 0.00 N ATOM 759 CA ARG A 54 -3.399 0.233 2.113 1.00 0.00 C ATOM 760 C ARG A 54 -2.281 0.167 3.155 1.00 0.00 C ATOM 761 O ARG A 54 -1.189 -0.322 2.869 1.00 0.00 O ATOM 762 CB ARG A 54 -4.034 -1.151 1.967 1.00 0.00 C ATOM 763 CG ARG A 54 -5.523 -1.111 2.318 1.00 0.00 C ATOM 764 CD ARG A 54 -6.350 -1.884 1.288 1.00 0.00 C ATOM 765 NE ARG A 54 -7.605 -2.367 1.906 1.00 0.00 N ATOM 766 CZ ARG A 54 -8.587 -2.981 1.231 1.00 0.00 C ATOM 767 NH1 ARG A 54 -8.465 -3.190 -0.087 1.00 0.00 N ATOM 768 NH2 ARG A 54 -9.690 -3.385 1.874 1.00 0.00 N ATOM 0 H ARG A 54 -1.942 1.110 0.889 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.163 0.938 2.440 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.907 -1.507 0.945 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.522 -1.860 2.618 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.678 -1.538 3.309 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.863 -0.076 2.360 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.578 -1.242 0.437 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.775 -2.728 0.907 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.731 -2.224 2.908 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.625 -2.882 -0.577 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.212 -3.657 -0.601 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.783 -3.225 2.877 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.437 -3.852 1.361 1.00 0.00 H new ATOM 782 N VAL A 55 -2.592 0.665 4.343 1.00 0.00 N ATOM 783 CA VAL A 55 -1.627 0.669 5.429 1.00 0.00 C ATOM 784 C VAL A 55 -0.834 -0.639 5.405 1.00 0.00 C ATOM 785 O VAL A 55 -1.372 -1.689 5.056 1.00 0.00 O ATOM 786 CB VAL A 55 -2.340 0.912 6.761 1.00 0.00 C ATOM 787 CG1 VAL A 55 -3.729 0.271 6.765 1.00 0.00 C ATOM 788 CG2 VAL A 55 -1.498 0.405 7.934 1.00 0.00 C ATOM 0 H VAL A 55 -3.499 1.069 4.577 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.914 1.484 5.304 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.468 1.988 6.881 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.214 0.459 7.723 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.330 0.701 5.964 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.634 -0.804 6.611 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.027 0.590 8.869 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.324 -0.665 7.821 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.542 0.929 7.949 1.00 0.00 H new ATOM 798 N GLY A 56 0.432 -0.534 5.781 1.00 0.00 N ATOM 799 CA GLY A 56 1.304 -1.695 5.807 1.00 0.00 C ATOM 800 C GLY A 56 2.323 -1.642 4.667 1.00 0.00 C ATOM 801 O GLY A 56 3.437 -2.146 4.801 1.00 0.00 O ATOM 0 H GLY A 56 0.875 0.338 6.070 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.825 -1.741 6.763 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.708 -2.604 5.725 1.00 0.00 H new ATOM 805 N ASP A 57 1.904 -1.027 3.571 1.00 0.00 N ATOM 806 CA ASP A 57 2.766 -0.901 2.408 1.00 0.00 C ATOM 807 C ASP A 57 4.007 -0.088 2.783 1.00 0.00 C ATOM 808 O ASP A 57 4.140 0.358 3.922 1.00 0.00 O ATOM 809 CB ASP A 57 2.051 -0.172 1.268 1.00 0.00 C ATOM 810 CG ASP A 57 1.175 -1.060 0.382 1.00 0.00 C ATOM 811 OD1 ASP A 57 0.733 -2.111 0.893 1.00 0.00 O ATOM 812 OD2 ASP A 57 0.968 -0.667 -0.787 1.00 0.00 O ATOM 0 H ASP A 57 0.979 -0.611 3.464 1.00 0.00 H new ATOM 0 HA ASP A 57 3.038 -1.904 2.081 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.430 0.616 1.694 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.799 0.315 0.642 1.00 0.00 H new ATOM 817 N GLN A 58 4.884 0.080 1.805 1.00 0.00 N ATOM 818 CA GLN A 58 6.109 0.831 2.018 1.00 0.00 C ATOM 819 C GLN A 58 6.359 1.783 0.847 1.00 0.00 C ATOM 820 O GLN A 58 6.691 1.345 -0.253 1.00 0.00 O ATOM 821 CB GLN A 58 7.299 -0.108 2.225 1.00 0.00 C ATOM 822 CG GLN A 58 8.594 0.683 2.421 1.00 0.00 C ATOM 823 CD GLN A 58 9.747 -0.243 2.816 1.00 0.00 C ATOM 824 OE1 GLN A 58 9.764 -1.423 2.507 1.00 0.00 O ATOM 825 NE2 GLN A 58 10.707 0.357 3.514 1.00 0.00 N ATOM 0 H GLN A 58 4.770 -0.292 0.862 1.00 0.00 H new ATOM 0 HA GLN A 58 5.995 1.425 2.925 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.120 -0.741 3.094 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.399 -0.769 1.364 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.845 1.210 1.501 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.449 1.439 3.193 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.630 1.349 3.739 1.00 0.00 H new ATOM 0 HE22 GLN A 58 11.520 -0.175 3.824 1.00 0.00 H new ATOM 834 N ILE A 59 6.191 3.068 1.124 1.00 0.00 N ATOM 835 CA ILE A 59 6.394 4.086 0.107 1.00 0.00 C ATOM 836 C ILE A 59 7.881 4.158 -0.246 1.00 0.00 C ATOM 837 O ILE A 59 8.597 5.032 0.242 1.00 0.00 O ATOM 838 CB ILE A 59 5.804 5.422 0.561 1.00 0.00 C ATOM 839 CG1 ILE A 59 4.327 5.273 0.929 1.00 0.00 C ATOM 840 CG2 ILE A 59 6.025 6.506 -0.496 1.00 0.00 C ATOM 841 CD1 ILE A 59 3.444 5.305 -0.321 1.00 0.00 C ATOM 0 H ILE A 59 5.917 3.427 2.038 1.00 0.00 H new ATOM 0 HA ILE A 59 5.861 3.823 -0.807 1.00 0.00 H new ATOM 0 HB ILE A 59 6.329 5.739 1.462 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.174 4.335 1.462 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.034 6.076 1.606 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.596 7.446 -0.148 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.094 6.636 -0.666 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.543 6.210 -1.427 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.399 5.197 -0.031 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.581 6.254 -0.839 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.723 4.486 -0.984 1.00 0.00 H new ATOM 853 N LEU A 60 8.303 3.228 -1.090 1.00 0.00 N ATOM 854 CA LEU A 60 9.691 3.175 -1.514 1.00 0.00 C ATOM 855 C LEU A 60 10.077 4.512 -2.150 1.00 0.00 C ATOM 856 O LEU A 60 10.980 5.195 -1.670 1.00 0.00 O ATOM 857 CB LEU A 60 9.928 1.969 -2.425 1.00 0.00 C ATOM 858 CG LEU A 60 9.488 0.613 -1.870 1.00 0.00 C ATOM 859 CD1 LEU A 60 9.603 -0.479 -2.936 1.00 0.00 C ATOM 860 CD2 LEU A 60 10.267 0.260 -0.601 1.00 0.00 C ATOM 0 H LEU A 60 7.707 2.504 -1.492 1.00 0.00 H new ATOM 0 HA LEU A 60 10.346 3.029 -0.655 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.405 2.141 -3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.992 1.917 -2.656 1.00 0.00 H new ATOM 0 HG LEU A 60 8.436 0.683 -1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.284 -1.433 -2.516 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.968 -0.227 -3.785 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.639 -0.556 -3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.934 -0.709 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.332 0.215 -0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.090 1.022 0.158 1.00 0.00 H new ATOM 872 N ARG A 61 9.373 4.845 -3.222 1.00 0.00 N ATOM 873 CA ARG A 61 9.630 6.088 -3.930 1.00 0.00 C ATOM 874 C ARG A 61 8.345 6.910 -4.043 1.00 0.00 C ATOM 875 O ARG A 61 7.248 6.381 -3.870 1.00 0.00 O ATOM 876 CB ARG A 61 10.181 5.819 -5.332 1.00 0.00 C ATOM 877 CG ARG A 61 11.684 5.537 -5.286 1.00 0.00 C ATOM 878 CD ARG A 61 12.109 4.639 -6.450 1.00 0.00 C ATOM 879 NE ARG A 61 12.323 3.256 -5.970 1.00 0.00 N ATOM 880 CZ ARG A 61 12.561 2.211 -6.774 1.00 0.00 C ATOM 881 NH1 ARG A 61 12.617 2.385 -8.101 1.00 0.00 N ATOM 882 NH2 ARG A 61 12.743 0.991 -6.250 1.00 0.00 N ATOM 0 H ARG A 61 8.625 4.276 -3.618 1.00 0.00 H new ATOM 0 HA ARG A 61 10.373 6.647 -3.361 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.661 4.969 -5.774 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.988 6.679 -5.973 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.235 6.476 -5.327 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.939 5.058 -4.341 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.344 4.649 -7.226 1.00 0.00 H new ATOM 0 HD3 ARG A 61 13.025 5.022 -6.900 1.00 0.00 H new ATOM 0 HE ARG A 61 12.287 3.088 -4.965 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.478 3.313 -8.500 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.798 1.589 -8.713 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.700 0.858 -5.240 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.924 0.195 -6.862 1.00 0.00 H new ATOM 896 N VAL A 62 8.523 8.190 -4.333 1.00 0.00 N ATOM 897 CA VAL A 62 7.391 9.091 -4.471 1.00 0.00 C ATOM 898 C VAL A 62 7.679 10.097 -5.587 1.00 0.00 C ATOM 899 O VAL A 62 8.586 10.919 -5.468 1.00 0.00 O ATOM 900 CB VAL A 62 7.087 9.758 -3.128 1.00 0.00 C ATOM 901 CG1 VAL A 62 8.155 10.796 -2.777 1.00 0.00 C ATOM 902 CG2 VAL A 62 5.692 10.388 -3.132 1.00 0.00 C ATOM 0 H VAL A 62 9.434 8.625 -4.476 1.00 0.00 H new ATOM 0 HA VAL A 62 6.495 8.539 -4.755 1.00 0.00 H new ATOM 0 HB VAL A 62 7.104 8.986 -2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.915 11.255 -1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.128 10.309 -2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.184 11.564 -3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.501 10.855 -2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.635 11.142 -3.917 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.945 9.616 -3.316 1.00 0.00 H new ATOM 912 N ASN A 63 6.889 9.999 -6.646 1.00 0.00 N ATOM 913 CA ASN A 63 7.047 10.891 -7.783 1.00 0.00 C ATOM 914 C ASN A 63 8.175 10.374 -8.678 1.00 0.00 C ATOM 915 O ASN A 63 7.961 10.102 -9.858 1.00 0.00 O ATOM 916 CB ASN A 63 7.416 12.304 -7.327 1.00 0.00 C ATOM 917 CG ASN A 63 7.012 13.341 -8.377 1.00 0.00 C ATOM 918 OD1 ASN A 63 7.818 14.122 -8.857 1.00 0.00 O ATOM 919 ND2 ASN A 63 5.724 13.305 -8.706 1.00 0.00 N ATOM 0 H ASN A 63 6.138 9.316 -6.741 1.00 0.00 H new ATOM 0 HA ASN A 63 6.100 10.921 -8.322 1.00 0.00 H new ATOM 0 HB2 ASN A 63 6.921 12.526 -6.382 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.489 12.363 -7.146 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.356 13.957 -9.399 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.104 12.625 -8.266 1.00 0.00 H new ATOM 926 N ASP A 64 9.352 10.252 -8.081 1.00 0.00 N ATOM 927 CA ASP A 64 10.514 9.773 -8.810 1.00 0.00 C ATOM 928 C ASP A 64 11.666 9.542 -7.829 1.00 0.00 C ATOM 929 O ASP A 64 12.382 8.547 -7.930 1.00 0.00 O ATOM 930 CB ASP A 64 10.975 10.797 -9.848 1.00 0.00 C ATOM 931 CG ASP A 64 11.025 10.282 -11.288 1.00 0.00 C ATOM 932 OD1 ASP A 64 9.948 10.263 -11.921 1.00 0.00 O ATOM 933 OD2 ASP A 64 12.139 9.918 -11.722 1.00 0.00 O ATOM 0 H ASP A 64 9.526 10.477 -7.101 1.00 0.00 H new ATOM 0 HA ASP A 64 10.237 8.848 -9.316 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.307 11.657 -9.809 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.968 11.151 -9.570 1.00 0.00 H new ATOM 938 N LYS A 65 11.809 10.479 -6.903 1.00 0.00 N ATOM 939 CA LYS A 65 12.862 10.390 -5.906 1.00 0.00 C ATOM 940 C LYS A 65 12.511 9.294 -4.897 1.00 0.00 C ATOM 941 O LYS A 65 11.362 8.863 -4.817 1.00 0.00 O ATOM 942 CB LYS A 65 13.110 11.757 -5.266 1.00 0.00 C ATOM 943 CG LYS A 65 13.906 12.666 -6.205 1.00 0.00 C ATOM 944 CD LYS A 65 15.386 12.692 -5.820 1.00 0.00 C ATOM 945 CE LYS A 65 16.180 13.608 -6.753 1.00 0.00 C ATOM 946 NZ LYS A 65 16.182 14.996 -6.237 1.00 0.00 N ATOM 0 H LYS A 65 11.213 11.303 -6.822 1.00 0.00 H new ATOM 0 HA LYS A 65 13.805 10.106 -6.372 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.157 12.226 -5.021 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.653 11.631 -4.329 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.800 12.316 -7.232 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.500 13.677 -6.169 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.492 13.036 -4.791 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.794 11.682 -5.862 1.00 0.00 H new ATOM 0 HE2 LYS A 65 17.204 13.246 -6.843 1.00 0.00 H new ATOM 0 HE3 LYS A 65 15.744 13.586 -7.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.725 15.605 -6.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.204 15.344 -6.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.618 15.015 -5.293 1.00 0.00 H new ATOM 960 N SER A 66 13.523 8.874 -4.152 1.00 0.00 N ATOM 961 CA SER A 66 13.337 7.837 -3.152 1.00 0.00 C ATOM 962 C SER A 66 13.356 8.451 -1.751 1.00 0.00 C ATOM 963 O SER A 66 14.147 9.352 -1.475 1.00 0.00 O ATOM 964 CB SER A 66 14.413 6.756 -3.272 1.00 0.00 C ATOM 965 OG SER A 66 14.590 6.327 -4.619 1.00 0.00 O ATOM 0 H SER A 66 14.475 9.234 -4.221 1.00 0.00 H new ATOM 0 HA SER A 66 12.368 7.368 -3.323 1.00 0.00 H new ATOM 0 HB2 SER A 66 15.357 7.140 -2.887 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.140 5.902 -2.652 1.00 0.00 H new ATOM 0 HG SER A 66 15.286 5.638 -4.654 1.00 0.00 H new ATOM 971 N LEU A 67 12.476 7.939 -0.903 1.00 0.00 N ATOM 972 CA LEU A 67 12.382 8.426 0.463 1.00 0.00 C ATOM 973 C LEU A 67 13.168 7.495 1.387 1.00 0.00 C ATOM 974 O LEU A 67 12.699 7.147 2.470 1.00 0.00 O ATOM 975 CB LEU A 67 10.917 8.602 0.869 1.00 0.00 C ATOM 976 CG LEU A 67 10.014 9.289 -0.158 1.00 0.00 C ATOM 977 CD1 LEU A 67 8.567 9.343 0.334 1.00 0.00 C ATOM 978 CD2 LEU A 67 10.550 10.676 -0.519 1.00 0.00 C ATOM 0 H LEU A 67 11.822 7.192 -1.135 1.00 0.00 H new ATOM 0 HA LEU A 67 12.833 9.415 0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.501 7.619 1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.884 9.177 1.795 1.00 0.00 H new ATOM 0 HG LEU A 67 10.021 8.694 -1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.946 9.836 -0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.201 8.330 0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.521 9.902 1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.890 11.142 -1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.592 11.294 0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.550 10.581 -0.942 1.00 0.00 H new ATOM 990 N ALA A 68 14.352 7.118 0.927 1.00 0.00 N ATOM 991 CA ALA A 68 15.208 6.234 1.699 1.00 0.00 C ATOM 992 C ALA A 68 15.685 6.963 2.957 1.00 0.00 C ATOM 993 O ALA A 68 16.396 7.963 2.867 1.00 0.00 O ATOM 994 CB ALA A 68 16.371 5.757 0.825 1.00 0.00 C ATOM 0 H ALA A 68 14.739 7.409 0.029 1.00 0.00 H new ATOM 0 HA ALA A 68 14.657 5.350 2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.013 5.094 1.404 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.980 5.220 -0.039 1.00 0.00 H new ATOM 0 HB3 ALA A 68 16.949 6.617 0.487 1.00 0.00 H new ATOM 1000 N ARG A 69 15.275 6.433 4.100 1.00 0.00 N ATOM 1001 CA ARG A 69 15.652 7.021 5.374 1.00 0.00 C ATOM 1002 C ARG A 69 15.590 8.548 5.294 1.00 0.00 C ATOM 1003 O ARG A 69 16.598 9.201 5.026 1.00 0.00 O ATOM 1004 CB ARG A 69 17.064 6.596 5.781 1.00 0.00 C ATOM 1005 CG ARG A 69 17.022 5.554 6.901 1.00 0.00 C ATOM 1006 CD ARG A 69 18.391 5.412 7.570 1.00 0.00 C ATOM 1007 NE ARG A 69 18.286 5.734 9.010 1.00 0.00 N ATOM 1008 CZ ARG A 69 19.223 5.428 9.918 1.00 0.00 C ATOM 1009 NH1 ARG A 69 20.340 4.791 9.540 1.00 0.00 N ATOM 1010 NH2 ARG A 69 19.044 5.760 11.204 1.00 0.00 N ATOM 0 H ARG A 69 14.686 5.603 4.170 1.00 0.00 H new ATOM 0 HA ARG A 69 14.947 6.664 6.125 1.00 0.00 H new ATOM 0 HB2 ARG A 69 17.587 6.186 4.917 1.00 0.00 H new ATOM 0 HB3 ARG A 69 17.629 7.468 6.111 1.00 0.00 H new ATOM 0 HG2 ARG A 69 16.279 5.843 7.644 1.00 0.00 H new ATOM 0 HG3 ARG A 69 16.710 4.592 6.496 1.00 0.00 H new ATOM 0 HD2 ARG A 69 18.764 4.396 7.442 1.00 0.00 H new ATOM 0 HD3 ARG A 69 19.110 6.077 7.092 1.00 0.00 H new ATOM 0 HE ARG A 69 17.448 6.219 9.332 1.00 0.00 H new ATOM 0 HH11 ARG A 69 20.477 4.539 8.561 1.00 0.00 H new ATOM 0 HH12 ARG A 69 21.053 4.558 10.231 1.00 0.00 H new ATOM 0 HH21 ARG A 69 18.194 6.246 11.492 1.00 0.00 H new ATOM 0 HH22 ARG A 69 19.757 5.527 11.895 1.00 0.00 H new ATOM 1024 N VAL A 70 14.397 9.073 5.530 1.00 0.00 N ATOM 1025 CA VAL A 70 14.190 10.511 5.487 1.00 0.00 C ATOM 1026 C VAL A 70 13.168 10.907 6.555 1.00 0.00 C ATOM 1027 O VAL A 70 12.237 10.155 6.837 1.00 0.00 O ATOM 1028 CB VAL A 70 13.777 10.938 4.077 1.00 0.00 C ATOM 1029 CG1 VAL A 70 14.919 10.724 3.083 1.00 0.00 C ATOM 1030 CG2 VAL A 70 12.514 10.201 3.629 1.00 0.00 C ATOM 0 H VAL A 70 13.563 8.529 5.752 1.00 0.00 H new ATOM 0 HA VAL A 70 15.117 11.037 5.713 1.00 0.00 H new ATOM 0 HB VAL A 70 13.551 12.004 4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.599 11.035 2.089 1.00 0.00 H new ATOM 0 HG12 VAL A 70 15.782 11.315 3.388 1.00 0.00 H new ATOM 0 HG13 VAL A 70 15.191 9.669 3.063 1.00 0.00 H new ATOM 0 HG21 VAL A 70 12.242 10.523 2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.700 9.127 3.628 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.698 10.427 4.315 1.00 0.00 H new ATOM 1040 N THR A 71 13.378 12.086 7.121 1.00 0.00 N ATOM 1041 CA THR A 71 12.487 12.591 8.152 1.00 0.00 C ATOM 1042 C THR A 71 11.053 12.670 7.625 1.00 0.00 C ATOM 1043 O THR A 71 10.836 12.924 6.441 1.00 0.00 O ATOM 1044 CB THR A 71 13.034 13.938 8.631 1.00 0.00 C ATOM 1045 OG1 THR A 71 12.857 14.802 7.512 1.00 0.00 O ATOM 1046 CG2 THR A 71 14.548 13.912 8.846 1.00 0.00 C ATOM 0 H THR A 71 14.152 12.707 6.885 1.00 0.00 H new ATOM 0 HA THR A 71 12.449 11.917 9.007 1.00 0.00 H new ATOM 0 HB THR A 71 12.540 14.220 9.561 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.184 15.698 7.736 1.00 0.00 H new ATOM 0 HG21 THR A 71 14.884 14.892 9.185 1.00 0.00 H new ATOM 0 HG22 THR A 71 14.796 13.163 9.598 1.00 0.00 H new ATOM 0 HG23 THR A 71 15.044 13.663 7.908 1.00 0.00 H new ATOM 1054 N HIS A 72 10.111 12.448 8.530 1.00 0.00 N ATOM 1055 CA HIS A 72 8.704 12.491 8.172 1.00 0.00 C ATOM 1056 C HIS A 72 8.416 13.764 7.374 1.00 0.00 C ATOM 1057 O HIS A 72 7.508 13.789 6.545 1.00 0.00 O ATOM 1058 CB HIS A 72 7.823 12.358 9.416 1.00 0.00 C ATOM 1059 CG HIS A 72 6.488 11.702 9.155 1.00 0.00 C ATOM 1060 ND1 HIS A 72 5.281 12.333 9.405 1.00 0.00 N ATOM 1061 CD2 HIS A 72 6.182 10.467 8.664 1.00 0.00 C ATOM 1062 CE1 HIS A 72 4.301 11.504 9.076 1.00 0.00 C ATOM 1063 NE2 HIS A 72 4.861 10.348 8.618 1.00 0.00 N ATOM 0 H HIS A 72 10.295 12.238 9.511 1.00 0.00 H new ATOM 0 HA HIS A 72 8.461 11.642 7.534 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.359 11.780 10.169 1.00 0.00 H new ATOM 0 HB3 HIS A 72 7.653 13.349 9.836 1.00 0.00 H new ATOM 0 HD1 HIS A 72 5.166 13.275 9.779 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.894 9.713 8.363 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.244 11.708 9.157 1.00 0.00 H new ATOM 1071 N ALA A 73 9.206 14.791 7.654 1.00 0.00 N ATOM 1072 CA ALA A 73 9.047 16.064 6.973 1.00 0.00 C ATOM 1073 C ALA A 73 9.508 15.922 5.521 1.00 0.00 C ATOM 1074 O ALA A 73 8.885 16.467 4.612 1.00 0.00 O ATOM 1075 CB ALA A 73 9.821 17.147 7.727 1.00 0.00 C ATOM 0 H ALA A 73 9.958 14.767 8.343 1.00 0.00 H new ATOM 0 HA ALA A 73 7.999 16.363 6.958 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.702 18.102 7.216 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.436 17.229 8.743 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.878 16.883 7.760 1.00 0.00 H new ATOM 1081 N GLU A 74 10.597 15.186 5.349 1.00 0.00 N ATOM 1082 CA GLU A 74 11.149 14.966 4.023 1.00 0.00 C ATOM 1083 C GLU A 74 10.112 14.291 3.122 1.00 0.00 C ATOM 1084 O GLU A 74 9.737 14.836 2.085 1.00 0.00 O ATOM 1085 CB GLU A 74 12.434 14.139 4.095 1.00 0.00 C ATOM 1086 CG GLU A 74 13.661 15.044 4.222 1.00 0.00 C ATOM 1087 CD GLU A 74 13.923 15.801 2.918 1.00 0.00 C ATOM 1088 OE1 GLU A 74 13.877 15.138 1.859 1.00 0.00 O ATOM 1089 OE2 GLU A 74 14.162 17.024 3.010 1.00 0.00 O ATOM 0 H GLU A 74 11.111 14.735 6.106 1.00 0.00 H new ATOM 0 HA GLU A 74 11.402 15.934 3.590 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.387 13.461 4.948 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.524 13.521 3.201 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.510 15.754 5.035 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.534 14.445 4.480 1.00 0.00 H new ATOM 1096 N ALA A 75 9.679 13.114 3.551 1.00 0.00 N ATOM 1097 CA ALA A 75 8.694 12.359 2.796 1.00 0.00 C ATOM 1098 C ALA A 75 7.518 13.273 2.444 1.00 0.00 C ATOM 1099 O ALA A 75 7.111 13.349 1.285 1.00 0.00 O ATOM 1100 CB ALA A 75 8.260 11.135 3.604 1.00 0.00 C ATOM 0 H ALA A 75 9.992 12.665 4.412 1.00 0.00 H new ATOM 0 HA ALA A 75 9.122 11.997 1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.521 10.568 3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.126 10.504 3.803 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.823 11.459 4.549 1.00 0.00 H new ATOM 1106 N VAL A 76 7.004 13.943 3.465 1.00 0.00 N ATOM 1107 CA VAL A 76 5.883 14.848 3.278 1.00 0.00 C ATOM 1108 C VAL A 76 6.244 15.887 2.214 1.00 0.00 C ATOM 1109 O VAL A 76 5.509 16.069 1.245 1.00 0.00 O ATOM 1110 CB VAL A 76 5.488 15.475 4.617 1.00 0.00 C ATOM 1111 CG1 VAL A 76 4.332 16.461 4.440 1.00 0.00 C ATOM 1112 CG2 VAL A 76 5.139 14.398 5.645 1.00 0.00 C ATOM 0 H VAL A 76 7.343 13.877 4.425 1.00 0.00 H new ATOM 0 HA VAL A 76 5.009 14.305 2.918 1.00 0.00 H new ATOM 0 HB VAL A 76 6.347 16.030 4.994 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.071 16.892 5.406 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.633 17.256 3.757 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.468 15.938 4.030 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.862 14.871 6.587 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.303 13.802 5.278 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.003 13.752 5.803 1.00 0.00 H new ATOM 1122 N LYS A 77 7.376 16.541 2.431 1.00 0.00 N ATOM 1123 CA LYS A 77 7.843 17.556 1.503 1.00 0.00 C ATOM 1124 C LYS A 77 7.879 16.972 0.090 1.00 0.00 C ATOM 1125 O LYS A 77 7.857 17.712 -0.893 1.00 0.00 O ATOM 1126 CB LYS A 77 9.184 18.130 1.966 1.00 0.00 C ATOM 1127 CG LYS A 77 8.976 19.301 2.929 1.00 0.00 C ATOM 1128 CD LYS A 77 10.305 19.987 3.252 1.00 0.00 C ATOM 1129 CE LYS A 77 10.445 21.302 2.483 1.00 0.00 C ATOM 1130 NZ LYS A 77 10.812 22.403 3.401 1.00 0.00 N ATOM 0 H LYS A 77 7.983 16.387 3.236 1.00 0.00 H new ATOM 0 HA LYS A 77 7.152 18.399 1.482 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.767 17.351 2.456 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.759 18.463 1.102 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.288 20.022 2.487 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.514 18.942 3.849 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.368 20.180 4.323 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.132 19.324 2.998 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.205 21.198 1.708 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.507 21.537 1.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.903 23.288 2.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.073 22.512 4.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.718 22.183 3.862 1.00 0.00 H new ATOM 1144 N ALA A 78 7.935 15.649 0.032 1.00 0.00 N ATOM 1145 CA ALA A 78 7.974 14.957 -1.245 1.00 0.00 C ATOM 1146 C ALA A 78 6.554 14.551 -1.644 1.00 0.00 C ATOM 1147 O ALA A 78 6.213 14.556 -2.826 1.00 0.00 O ATOM 1148 CB ALA A 78 8.918 13.756 -1.145 1.00 0.00 C ATOM 0 H ALA A 78 7.954 15.038 0.849 1.00 0.00 H new ATOM 0 HA ALA A 78 8.361 15.612 -2.026 1.00 0.00 H new ATOM 0 HB1 ALA A 78 8.948 13.236 -2.103 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.920 14.101 -0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.560 13.075 -0.373 1.00 0.00 H new ATOM 1154 N LEU A 79 5.765 14.209 -0.636 1.00 0.00 N ATOM 1155 CA LEU A 79 4.390 13.801 -0.868 1.00 0.00 C ATOM 1156 C LEU A 79 3.495 15.041 -0.907 1.00 0.00 C ATOM 1157 O LEU A 79 2.447 15.075 -0.264 1.00 0.00 O ATOM 1158 CB LEU A 79 3.957 12.763 0.170 1.00 0.00 C ATOM 1159 CG LEU A 79 4.509 11.349 -0.026 1.00 0.00 C ATOM 1160 CD1 LEU A 79 4.954 10.745 1.307 1.00 0.00 C ATOM 1161 CD2 LEU A 79 3.494 10.460 -0.748 1.00 0.00 C ATOM 0 H LEU A 79 6.052 14.206 0.343 1.00 0.00 H new ATOM 0 HA LEU A 79 4.297 13.309 -1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.259 13.116 1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.868 12.710 0.170 1.00 0.00 H new ATOM 0 HG LEU A 79 5.392 11.412 -0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.342 9.740 1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.734 11.367 1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.103 10.697 1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.911 9.461 -0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.579 10.399 -0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.268 10.886 -1.726 1.00 0.00 H new ATOM 1257 N LEU A 85 1.202 12.462 -8.951 1.00 0.00 N ATOM 1258 CA LEU A 85 2.128 11.937 -7.962 1.00 0.00 C ATOM 1259 C LEU A 85 2.186 10.413 -8.082 1.00 0.00 C ATOM 1260 O LEU A 85 1.177 9.733 -7.899 1.00 0.00 O ATOM 1261 CB LEU A 85 1.753 12.430 -6.563 1.00 0.00 C ATOM 1262 CG LEU A 85 2.660 11.962 -5.422 1.00 0.00 C ATOM 1263 CD1 LEU A 85 4.135 12.089 -5.807 1.00 0.00 C ATOM 1264 CD2 LEU A 85 2.340 12.710 -4.126 1.00 0.00 C ATOM 0 HA LEU A 85 3.135 12.310 -8.147 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.747 13.520 -6.573 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.734 12.108 -6.347 1.00 0.00 H new ATOM 0 HG LEU A 85 2.464 10.905 -5.241 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.758 11.750 -4.979 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.336 11.477 -6.686 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.364 13.131 -6.030 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.998 12.359 -3.331 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.491 13.779 -4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.303 12.526 -3.846 1.00 0.00 H new ATOM 1276 N VAL A 86 3.377 9.921 -8.389 1.00 0.00 N ATOM 1277 CA VAL A 86 3.580 8.489 -8.536 1.00 0.00 C ATOM 1278 C VAL A 86 4.079 7.911 -7.210 1.00 0.00 C ATOM 1279 O VAL A 86 5.233 8.111 -6.836 1.00 0.00 O ATOM 1280 CB VAL A 86 4.530 8.213 -9.704 1.00 0.00 C ATOM 1281 CG1 VAL A 86 5.045 6.773 -9.662 1.00 0.00 C ATOM 1282 CG2 VAL A 86 3.854 8.514 -11.043 1.00 0.00 C ATOM 0 H VAL A 86 4.211 10.488 -8.540 1.00 0.00 H new ATOM 0 HA VAL A 86 2.640 7.992 -8.774 1.00 0.00 H new ATOM 0 HB VAL A 86 5.387 8.879 -9.604 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.718 6.603 -10.502 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.581 6.605 -8.728 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.203 6.084 -9.726 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.550 8.310 -11.856 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.971 7.885 -11.154 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.558 9.563 -11.074 1.00 0.00 H new ATOM 1292 N LEU A 87 3.183 7.204 -6.536 1.00 0.00 N ATOM 1293 CA LEU A 87 3.518 6.595 -5.260 1.00 0.00 C ATOM 1294 C LEU A 87 4.050 5.181 -5.499 1.00 0.00 C ATOM 1295 O LEU A 87 3.347 4.332 -6.044 1.00 0.00 O ATOM 1296 CB LEU A 87 2.319 6.648 -4.311 1.00 0.00 C ATOM 1297 CG LEU A 87 1.716 8.033 -4.069 1.00 0.00 C ATOM 1298 CD1 LEU A 87 2.723 8.957 -3.382 1.00 0.00 C ATOM 1299 CD2 LEU A 87 1.182 8.633 -5.371 1.00 0.00 C ATOM 0 H LEU A 87 2.226 7.040 -6.849 1.00 0.00 H new ATOM 0 HA LEU A 87 4.312 7.156 -4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.539 5.998 -4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.623 6.233 -3.350 1.00 0.00 H new ATOM 0 HG LEU A 87 0.868 7.923 -3.393 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.269 9.935 -3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.013 8.530 -2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.606 9.066 -4.012 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.759 9.617 -5.171 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.997 8.727 -6.089 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.410 7.983 -5.782 1.00 0.00 H new ATOM 1311 N SER A 88 5.290 4.971 -5.079 1.00 0.00 N ATOM 1312 CA SER A 88 5.925 3.674 -5.241 1.00 0.00 C ATOM 1313 C SER A 88 5.807 2.868 -3.946 1.00 0.00 C ATOM 1314 O SER A 88 6.434 3.204 -2.942 1.00 0.00 O ATOM 1315 CB SER A 88 7.394 3.827 -5.639 1.00 0.00 C ATOM 1316 OG SER A 88 7.573 3.777 -7.052 1.00 0.00 O ATOM 0 H SER A 88 5.871 5.677 -4.627 1.00 0.00 H new ATOM 0 HA SER A 88 5.413 3.140 -6.041 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.776 4.774 -5.259 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.980 3.036 -5.171 1.00 0.00 H new ATOM 0 HG SER A 88 8.524 3.880 -7.265 1.00 0.00 H new ATOM 1322 N VAL A 89 4.998 1.821 -4.010 1.00 0.00 N ATOM 1323 CA VAL A 89 4.790 0.964 -2.854 1.00 0.00 C ATOM 1324 C VAL A 89 5.102 -0.484 -3.235 1.00 0.00 C ATOM 1325 O VAL A 89 4.791 -0.919 -4.343 1.00 0.00 O ATOM 1326 CB VAL A 89 3.369 1.148 -2.316 1.00 0.00 C ATOM 1327 CG1 VAL A 89 3.343 2.166 -1.174 1.00 0.00 C ATOM 1328 CG2 VAL A 89 2.408 1.555 -3.435 1.00 0.00 C ATOM 0 H VAL A 89 4.479 1.546 -4.844 1.00 0.00 H new ATOM 0 HA VAL A 89 5.468 1.240 -2.046 1.00 0.00 H new ATOM 0 HB VAL A 89 3.034 0.190 -1.919 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.322 2.278 -0.810 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.982 1.818 -0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.707 3.128 -1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.405 1.679 -3.026 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.740 2.495 -3.875 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.394 0.781 -4.202 1.00 0.00 H new ATOM 1338 N TYR A 90 5.712 -1.191 -2.296 1.00 0.00 N ATOM 1339 CA TYR A 90 6.070 -2.582 -2.519 1.00 0.00 C ATOM 1340 C TYR A 90 5.048 -3.521 -1.875 1.00 0.00 C ATOM 1341 O TYR A 90 4.432 -3.177 -0.868 1.00 0.00 O ATOM 1342 CB TYR A 90 7.427 -2.782 -1.842 1.00 0.00 C ATOM 1343 CG TYR A 90 7.716 -4.231 -1.446 1.00 0.00 C ATOM 1344 CD1 TYR A 90 8.028 -5.162 -2.416 1.00 0.00 C ATOM 1345 CD2 TYR A 90 7.667 -4.608 -0.119 1.00 0.00 C ATOM 1346 CE1 TYR A 90 8.301 -6.526 -2.044 1.00 0.00 C ATOM 1347 CE2 TYR A 90 7.939 -5.972 0.253 1.00 0.00 C ATOM 1348 CZ TYR A 90 8.243 -6.864 -0.728 1.00 0.00 C ATOM 1349 OH TYR A 90 8.501 -8.152 -0.376 1.00 0.00 O ATOM 0 H TYR A 90 5.968 -0.827 -1.378 1.00 0.00 H new ATOM 0 HA TYR A 90 6.098 -2.805 -3.586 1.00 0.00 H new ATOM 0 HB2 TYR A 90 8.212 -2.436 -2.515 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.473 -2.156 -0.951 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.067 -4.867 -3.454 1.00 0.00 H new ATOM 0 HD2 TYR A 90 7.425 -3.879 0.641 1.00 0.00 H new ATOM 0 HE1 TYR A 90 8.546 -7.264 -2.793 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.903 -6.280 1.288 1.00 0.00 H new ATOM 0 HH TYR A 90 8.424 -8.247 0.596 1.00 0.00 H new ATOM 1359 N SER A 91 4.899 -4.688 -2.484 1.00 0.00 N ATOM 1360 CA SER A 91 3.963 -5.680 -1.982 1.00 0.00 C ATOM 1361 C SER A 91 4.723 -6.826 -1.313 1.00 0.00 C ATOM 1362 O SER A 91 5.847 -7.140 -1.700 1.00 0.00 O ATOM 1363 CB SER A 91 3.074 -6.217 -3.107 1.00 0.00 C ATOM 1364 OG SER A 91 3.767 -7.143 -3.938 1.00 0.00 O ATOM 0 H SER A 91 5.411 -4.969 -3.320 1.00 0.00 H new ATOM 0 HA SER A 91 3.320 -5.201 -1.244 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.197 -6.701 -2.677 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.714 -5.386 -3.713 1.00 0.00 H new ATOM 0 HG SER A 91 3.166 -7.464 -4.642 1.00 0.00 H new