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 165:sc= -0.742 USER MOD Set 1.2: A 58 GLN : amide:sc= -3.22! C(o=-4!,f=-0.94!) USER MOD Single : A 13 SER OG : rot 6:sc= 0.701! 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 X(o=0,f=-0.0079) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -103:sc= 1.24 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.705 K(o=-0.7,f=-0.075) 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= -0.46 USER MOD Single : A 72 HIS : no HE2:sc= -2.82 K(o=-2.8,f=-9.8!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot -150: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 6.307 -4.427 -7.221 1.00 0.00 N ATOM 82 CA VAL A 9 6.126 -3.042 -6.819 1.00 0.00 C ATOM 83 C VAL A 9 5.097 -2.380 -7.739 1.00 0.00 C ATOM 84 O VAL A 9 5.257 -2.382 -8.958 1.00 0.00 O ATOM 85 CB VAL A 9 7.474 -2.319 -6.811 1.00 0.00 C ATOM 86 CG1 VAL A 9 7.282 -0.803 -6.724 1.00 0.00 C ATOM 87 CG2 VAL A 9 8.361 -2.826 -5.672 1.00 0.00 C ATOM 0 HA VAL A 9 5.737 -2.986 -5.802 1.00 0.00 H new ATOM 0 HB VAL A 9 7.979 -2.539 -7.752 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.255 -0.313 -6.720 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.706 -0.459 -7.583 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.747 -0.556 -5.807 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.313 -2.296 -5.689 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.864 -2.650 -4.718 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.538 -3.894 -5.797 1.00 0.00 H new ATOM 97 N ARG A 10 4.065 -1.828 -7.118 1.00 0.00 N ATOM 98 CA ARG A 10 3.011 -1.163 -7.865 1.00 0.00 C ATOM 99 C ARG A 10 3.215 0.353 -7.835 1.00 0.00 C ATOM 100 O ARG A 10 3.961 0.867 -7.004 1.00 0.00 O ATOM 101 CB ARG A 10 1.633 -1.497 -7.290 1.00 0.00 C ATOM 102 CG ARG A 10 1.567 -1.167 -5.797 1.00 0.00 C ATOM 103 CD ARG A 10 1.251 -2.417 -4.973 1.00 0.00 C ATOM 104 NE ARG A 10 -0.210 -2.654 -4.954 1.00 0.00 N ATOM 105 CZ ARG A 10 -0.774 -3.852 -4.754 1.00 0.00 C ATOM 106 NH1 ARG A 10 -0.004 -4.931 -4.556 1.00 0.00 N ATOM 107 NH2 ARG A 10 -2.109 -3.973 -4.753 1.00 0.00 N ATOM 0 H ARG A 10 3.936 -1.828 -6.106 1.00 0.00 H new ATOM 0 HA ARG A 10 3.058 -1.519 -8.894 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.866 -0.936 -7.824 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.418 -2.555 -7.442 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.517 -0.743 -5.472 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.804 -0.409 -5.622 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.763 -3.281 -5.397 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.621 -2.295 -3.955 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.826 -1.855 -5.103 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.012 -4.840 -4.558 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.434 -5.843 -4.404 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.696 -3.152 -4.905 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.538 -4.886 -4.601 1.00 0.00 H new ATOM 121 N LEU A 11 2.537 1.027 -8.753 1.00 0.00 N ATOM 122 CA LEU A 11 2.634 2.474 -8.842 1.00 0.00 C ATOM 123 C LEU A 11 1.252 3.089 -8.613 1.00 0.00 C ATOM 124 O LEU A 11 0.385 3.017 -9.482 1.00 0.00 O ATOM 125 CB LEU A 11 3.279 2.888 -10.166 1.00 0.00 C ATOM 126 CG LEU A 11 4.749 2.503 -10.345 1.00 0.00 C ATOM 127 CD1 LEU A 11 5.242 2.860 -11.749 1.00 0.00 C ATOM 128 CD2 LEU A 11 5.617 3.134 -9.255 1.00 0.00 C ATOM 0 H LEU A 11 1.919 0.598 -9.441 1.00 0.00 H new ATOM 0 HA LEU A 11 3.289 2.860 -8.061 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.706 2.445 -10.981 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.192 3.970 -10.267 1.00 0.00 H new ATOM 0 HG LEU A 11 4.835 1.422 -10.239 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.290 2.576 -11.850 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.648 2.325 -12.490 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.140 3.933 -11.908 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.657 2.845 -9.405 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.531 4.220 -9.305 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.282 2.788 -8.277 1.00 0.00 H new ATOM 140 N VAL A 12 1.089 3.680 -7.438 1.00 0.00 N ATOM 141 CA VAL A 12 -0.173 4.307 -7.084 1.00 0.00 C ATOM 142 C VAL A 12 -0.109 5.798 -7.421 1.00 0.00 C ATOM 143 O VAL A 12 0.931 6.432 -7.250 1.00 0.00 O ATOM 144 CB VAL A 12 -0.495 4.039 -5.612 1.00 0.00 C ATOM 145 CG1 VAL A 12 -1.734 4.821 -5.171 1.00 0.00 C ATOM 146 CG2 VAL A 12 -0.670 2.542 -5.352 1.00 0.00 C ATOM 0 H VAL A 12 1.810 3.738 -6.719 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.990 3.878 -7.665 1.00 0.00 H new ATOM 0 HB VAL A 12 0.350 4.385 -5.016 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.941 4.613 -4.121 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.556 5.888 -5.301 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.589 4.520 -5.776 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.898 2.380 -4.299 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.488 2.160 -5.963 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.251 2.018 -5.609 1.00 0.00 H new ATOM 156 N SER A 13 -1.234 6.314 -7.893 1.00 0.00 N ATOM 157 CA SER A 13 -1.319 7.718 -8.255 1.00 0.00 C ATOM 158 C SER A 13 -2.533 8.360 -7.581 1.00 0.00 C ATOM 159 O SER A 13 -3.667 7.938 -7.802 1.00 0.00 O ATOM 160 CB SER A 13 -1.403 7.891 -9.773 1.00 0.00 C ATOM 161 OG SER A 13 -2.734 7.731 -10.257 1.00 0.00 O ATOM 0 H SER A 13 -2.095 5.785 -8.033 1.00 0.00 H new ATOM 0 HA SER A 13 -0.413 8.216 -7.908 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.035 8.880 -10.046 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.752 7.163 -10.257 1.00 0.00 H new ATOM 0 HG SER A 13 -3.349 7.638 -9.499 1.00 0.00 H new ATOM 167 N LEU A 14 -2.254 9.371 -6.770 1.00 0.00 N ATOM 168 CA LEU A 14 -3.309 10.075 -6.062 1.00 0.00 C ATOM 169 C LEU A 14 -3.323 11.540 -6.502 1.00 0.00 C ATOM 170 O LEU A 14 -2.282 12.100 -6.841 1.00 0.00 O ATOM 171 CB LEU A 14 -3.156 9.889 -4.551 1.00 0.00 C ATOM 172 CG LEU A 14 -3.696 8.577 -3.979 1.00 0.00 C ATOM 173 CD1 LEU A 14 -5.148 8.350 -4.404 1.00 0.00 C ATOM 174 CD2 LEU A 14 -2.796 7.400 -4.361 1.00 0.00 C ATOM 0 H LEU A 14 -1.313 9.719 -6.588 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.283 9.656 -6.315 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.098 9.963 -4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.660 10.715 -4.050 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.686 8.649 -2.891 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.507 7.411 -3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.766 9.170 -4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.206 8.307 -5.492 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.203 6.480 -3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.750 7.315 -5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.793 7.566 -3.967 1.00 0.00 H new ATOM 315 N LEU A 23 -3.673 12.482 0.373 1.00 0.00 N ATOM 316 CA LEU A 23 -3.890 11.683 -0.822 1.00 0.00 C ATOM 317 C LEU A 23 -4.784 10.491 -0.477 1.00 0.00 C ATOM 318 O LEU A 23 -4.777 9.481 -1.180 1.00 0.00 O ATOM 319 CB LEU A 23 -2.553 11.288 -1.452 1.00 0.00 C ATOM 320 CG LEU A 23 -1.324 12.048 -0.949 1.00 0.00 C ATOM 321 CD1 LEU A 23 -0.033 11.362 -1.401 1.00 0.00 C ATOM 322 CD2 LEU A 23 -1.373 13.516 -1.378 1.00 0.00 C ATOM 0 HA LEU A 23 -4.413 12.265 -1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.393 10.224 -1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.626 11.429 -2.530 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.334 12.031 0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.826 11.922 -1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.002 10.347 -1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.001 11.328 -2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.488 14.033 -1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.400 13.576 -2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.266 13.986 -0.967 1.00 0.00 H new ATOM 334 N GLY A 24 -5.532 10.646 0.605 1.00 0.00 N ATOM 335 CA GLY A 24 -6.430 9.595 1.052 1.00 0.00 C ATOM 336 C GLY A 24 -5.702 8.601 1.959 1.00 0.00 C ATOM 337 O GLY A 24 -6.310 8.004 2.846 1.00 0.00 O ATOM 0 H GLY A 24 -5.535 11.484 1.186 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.271 10.034 1.589 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.841 9.072 0.189 1.00 0.00 H new ATOM 341 N PHE A 25 -4.410 8.453 1.704 1.00 0.00 N ATOM 342 CA PHE A 25 -3.592 7.541 2.486 1.00 0.00 C ATOM 343 C PHE A 25 -2.484 8.295 3.223 1.00 0.00 C ATOM 344 O PHE A 25 -1.720 9.039 2.610 1.00 0.00 O ATOM 345 CB PHE A 25 -2.957 6.556 1.504 1.00 0.00 C ATOM 346 CG PHE A 25 -1.711 7.096 0.799 1.00 0.00 C ATOM 347 CD1 PHE A 25 -0.513 7.098 1.442 1.00 0.00 C ATOM 348 CD2 PHE A 25 -1.802 7.574 -0.471 1.00 0.00 C ATOM 349 CE1 PHE A 25 0.644 7.599 0.787 1.00 0.00 C ATOM 350 CE2 PHE A 25 -0.645 8.075 -1.126 1.00 0.00 C ATOM 351 CZ PHE A 25 0.553 8.077 -0.483 1.00 0.00 C ATOM 0 H PHE A 25 -3.909 8.949 0.967 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.206 7.034 3.230 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.692 5.644 2.040 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.697 6.281 0.752 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.441 6.719 2.451 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.754 7.573 -0.982 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.596 7.600 1.298 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -0.717 8.454 -2.135 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.432 8.458 -0.981 1.00 0.00 H new ATOM 361 N SER A 26 -2.430 8.075 4.529 1.00 0.00 N ATOM 362 CA SER A 26 -1.428 8.724 5.357 1.00 0.00 C ATOM 363 C SER A 26 -0.163 7.865 5.417 1.00 0.00 C ATOM 364 O SER A 26 -0.207 6.670 5.130 1.00 0.00 O ATOM 365 CB SER A 26 -1.961 8.983 6.767 1.00 0.00 C ATOM 366 OG SER A 26 -1.891 10.362 7.120 1.00 0.00 O ATOM 0 H SER A 26 -3.064 7.456 5.034 1.00 0.00 H new ATOM 0 HA SER A 26 -1.185 9.687 4.908 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.995 8.644 6.831 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.388 8.396 7.485 1.00 0.00 H new ATOM 0 HG SER A 26 -2.242 10.486 8.026 1.00 0.00 H new ATOM 372 N ILE A 27 0.933 8.507 5.793 1.00 0.00 N ATOM 373 CA ILE A 27 2.207 7.817 5.894 1.00 0.00 C ATOM 374 C ILE A 27 2.746 7.957 7.320 1.00 0.00 C ATOM 375 O ILE A 27 2.294 8.815 8.076 1.00 0.00 O ATOM 376 CB ILE A 27 3.175 8.316 4.820 1.00 0.00 C ATOM 377 CG1 ILE A 27 3.598 9.761 5.091 1.00 0.00 C ATOM 378 CG2 ILE A 27 2.576 8.148 3.422 1.00 0.00 C ATOM 379 CD1 ILE A 27 4.987 10.043 4.517 1.00 0.00 C ATOM 0 H ILE A 27 0.965 9.498 6.031 1.00 0.00 H new ATOM 0 HA ILE A 27 2.078 6.752 5.703 1.00 0.00 H new ATOM 0 HB ILE A 27 4.076 7.704 4.861 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.873 10.445 4.650 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.600 9.948 6.165 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.284 8.510 2.677 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.366 7.094 3.241 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.651 8.720 3.351 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.263 11.077 4.724 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.714 9.374 4.978 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.976 9.879 3.439 1.00 0.00 H new ATOM 391 N ARG A 28 3.704 7.100 7.643 1.00 0.00 N ATOM 392 CA ARG A 28 4.309 7.118 8.964 1.00 0.00 C ATOM 393 C ARG A 28 5.782 6.716 8.878 1.00 0.00 C ATOM 394 O ARG A 28 6.271 6.359 7.807 1.00 0.00 O ATOM 395 CB ARG A 28 3.582 6.165 9.915 1.00 0.00 C ATOM 396 CG ARG A 28 3.371 4.796 9.265 1.00 0.00 C ATOM 397 CD ARG A 28 2.816 3.789 10.274 1.00 0.00 C ATOM 398 NE ARG A 28 3.166 2.412 9.860 1.00 0.00 N ATOM 399 CZ ARG A 28 4.375 1.860 10.033 1.00 0.00 C ATOM 400 NH1 ARG A 28 5.356 2.564 10.613 1.00 0.00 N ATOM 401 NH2 ARG A 28 4.602 0.603 9.626 1.00 0.00 N ATOM 0 H ARG A 28 4.076 6.389 7.013 1.00 0.00 H new ATOM 0 HA ARG A 28 4.228 8.133 9.353 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.159 6.051 10.832 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.619 6.591 10.196 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.683 4.891 8.425 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.316 4.431 8.864 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.221 3.994 11.265 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.733 3.892 10.345 1.00 0.00 H new ATOM 0 HE ARG A 28 2.442 1.848 9.415 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.183 3.520 10.923 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.276 2.144 10.745 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.855 0.067 9.185 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.522 0.183 9.758 1.00 0.00 H new ATOM 415 N GLY A 29 6.450 6.787 10.021 1.00 0.00 N ATOM 416 CA GLY A 29 7.858 6.435 10.088 1.00 0.00 C ATOM 417 C GLY A 29 8.740 7.638 9.748 1.00 0.00 C ATOM 418 O GLY A 29 8.458 8.759 10.169 1.00 0.00 O ATOM 0 H GLY A 29 6.042 7.083 10.908 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.099 6.074 11.088 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.066 5.619 9.395 1.00 0.00 H new ATOM 422 N GLY A 30 9.791 7.365 8.988 1.00 0.00 N ATOM 423 CA GLY A 30 10.717 8.410 8.587 1.00 0.00 C ATOM 424 C GLY A 30 12.082 8.218 9.249 1.00 0.00 C ATOM 425 O GLY A 30 12.181 7.597 10.306 1.00 0.00 O ATOM 0 H GLY A 30 10.021 6.435 8.639 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.831 8.403 7.503 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.311 9.384 8.859 1.00 0.00 H new ATOM 429 N SER A 31 13.101 8.761 8.600 1.00 0.00 N ATOM 430 CA SER A 31 14.457 8.657 9.112 1.00 0.00 C ATOM 431 C SER A 31 14.481 9.009 10.601 1.00 0.00 C ATOM 432 O SER A 31 15.371 8.575 11.331 1.00 0.00 O ATOM 433 CB SER A 31 15.411 9.567 8.336 1.00 0.00 C ATOM 434 OG SER A 31 16.755 9.097 8.384 1.00 0.00 O ATOM 0 H SER A 31 13.015 9.275 7.723 1.00 0.00 H new ATOM 0 HA SER A 31 14.794 7.629 8.982 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.086 9.631 7.297 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.365 10.575 8.747 1.00 0.00 H new ATOM 0 HG SER A 31 17.332 9.704 7.876 1.00 0.00 H new ATOM 440 N GLU A 32 13.494 9.793 11.008 1.00 0.00 N ATOM 441 CA GLU A 32 13.391 10.208 12.397 1.00 0.00 C ATOM 442 C GLU A 32 13.276 8.985 13.309 1.00 0.00 C ATOM 443 O GLU A 32 13.954 8.904 14.332 1.00 0.00 O ATOM 444 CB GLU A 32 12.208 11.157 12.599 1.00 0.00 C ATOM 445 CG GLU A 32 11.841 11.267 14.081 1.00 0.00 C ATOM 446 CD GLU A 32 11.362 12.679 14.423 1.00 0.00 C ATOM 447 OE1 GLU A 32 11.991 13.631 13.913 1.00 0.00 O ATOM 448 OE2 GLU A 32 10.377 12.774 15.188 1.00 0.00 O ATOM 0 H GLU A 32 12.758 10.152 10.400 1.00 0.00 H new ATOM 0 HA GLU A 32 14.298 10.750 12.663 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.457 12.143 12.208 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.348 10.798 12.033 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.059 10.546 14.320 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.706 11.014 14.694 1.00 0.00 H new ATOM 455 N HIS A 33 12.412 8.065 12.906 1.00 0.00 N ATOM 456 CA HIS A 33 12.200 6.850 13.674 1.00 0.00 C ATOM 457 C HIS A 33 13.212 5.787 13.244 1.00 0.00 C ATOM 458 O HIS A 33 13.193 4.666 13.749 1.00 0.00 O ATOM 459 CB HIS A 33 10.751 6.375 13.549 1.00 0.00 C ATOM 460 CG HIS A 33 9.932 6.562 14.804 1.00 0.00 C ATOM 461 ND1 HIS A 33 9.526 5.504 15.598 1.00 0.00 N ATOM 462 CD2 HIS A 33 9.451 7.693 15.394 1.00 0.00 C ATOM 463 CE1 HIS A 33 8.830 5.988 16.617 1.00 0.00 C ATOM 464 NE2 HIS A 33 8.784 7.346 16.488 1.00 0.00 N ATOM 0 H HIS A 33 11.851 8.137 12.057 1.00 0.00 H new ATOM 0 HA HIS A 33 12.366 7.051 14.732 1.00 0.00 H new ATOM 0 HB2 HIS A 33 10.272 6.914 12.732 1.00 0.00 H new ATOM 0 HB3 HIS A 33 10.748 5.319 13.280 1.00 0.00 H new ATOM 0 HD2 HIS A 33 9.589 8.701 15.032 1.00 0.00 H new ATOM 0 HE1 HIS A 33 8.379 5.410 17.410 1.00 0.00 H new ATOM 0 HE2 HIS A 33 8.315 7.988 17.127 1.00 0.00 H new ATOM 472 N GLY A 34 14.073 6.177 12.315 1.00 0.00 N ATOM 473 CA GLY A 34 15.091 5.271 11.811 1.00 0.00 C ATOM 474 C GLY A 34 14.484 4.240 10.857 1.00 0.00 C ATOM 475 O GLY A 34 15.064 3.178 10.635 1.00 0.00 O ATOM 0 H GLY A 34 14.086 7.108 11.898 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.865 5.839 11.294 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.574 4.761 12.645 1.00 0.00 H new ATOM 479 N VAL A 35 13.325 4.589 10.319 1.00 0.00 N ATOM 480 CA VAL A 35 12.633 3.707 9.394 1.00 0.00 C ATOM 481 C VAL A 35 12.291 4.480 8.119 1.00 0.00 C ATOM 482 O VAL A 35 12.321 5.710 8.107 1.00 0.00 O ATOM 483 CB VAL A 35 11.405 3.098 10.072 1.00 0.00 C ATOM 484 CG1 VAL A 35 11.698 2.759 11.535 1.00 0.00 C ATOM 485 CG2 VAL A 35 10.196 4.029 9.957 1.00 0.00 C ATOM 0 H VAL A 35 12.847 5.471 10.506 1.00 0.00 H new ATOM 0 HA VAL A 35 13.275 2.874 9.107 1.00 0.00 H new ATOM 0 HB VAL A 35 11.163 2.170 9.554 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.808 2.328 11.994 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.517 2.041 11.585 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.978 3.667 12.070 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.337 3.572 10.447 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.423 4.981 10.436 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.966 4.198 8.905 1.00 0.00 H new ATOM 495 N GLY A 36 11.972 3.727 7.076 1.00 0.00 N ATOM 496 CA GLY A 36 11.624 4.326 5.799 1.00 0.00 C ATOM 497 C GLY A 36 10.255 5.005 5.867 1.00 0.00 C ATOM 498 O GLY A 36 9.976 5.757 6.800 1.00 0.00 O ATOM 0 H GLY A 36 11.947 2.707 7.090 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.383 5.056 5.517 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.616 3.560 5.024 1.00 0.00 H new ATOM 502 N ILE A 37 9.436 4.716 4.866 1.00 0.00 N ATOM 503 CA ILE A 37 8.103 5.289 4.801 1.00 0.00 C ATOM 504 C ILE A 37 7.087 4.178 4.527 1.00 0.00 C ATOM 505 O ILE A 37 7.304 3.334 3.658 1.00 0.00 O ATOM 506 CB ILE A 37 8.059 6.428 3.779 1.00 0.00 C ATOM 507 CG1 ILE A 37 9.226 7.395 3.986 1.00 0.00 C ATOM 508 CG2 ILE A 37 6.707 7.144 3.814 1.00 0.00 C ATOM 509 CD1 ILE A 37 9.003 8.265 5.225 1.00 0.00 C ATOM 0 H ILE A 37 9.670 4.092 4.094 1.00 0.00 H new ATOM 0 HA ILE A 37 7.835 5.738 5.757 1.00 0.00 H new ATOM 0 HB ILE A 37 8.170 5.999 2.783 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.154 6.833 4.094 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.338 8.030 3.107 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.702 7.949 3.079 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.913 6.434 3.581 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.541 7.560 4.808 1.00 0.00 H new ATOM 0 HD11 ILE A 37 9.847 8.944 5.350 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.087 8.843 5.103 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.916 7.629 6.106 1.00 0.00 H new ATOM 521 N TYR A 38 6.001 4.213 5.285 1.00 0.00 N ATOM 522 CA TYR A 38 4.951 3.220 5.135 1.00 0.00 C ATOM 523 C TYR A 38 3.572 3.838 5.374 1.00 0.00 C ATOM 524 O TYR A 38 3.449 4.830 6.091 1.00 0.00 O ATOM 525 CB TYR A 38 5.215 2.162 6.208 1.00 0.00 C ATOM 526 CG TYR A 38 6.602 1.521 6.122 1.00 0.00 C ATOM 527 CD1 TYR A 38 7.690 2.151 6.693 1.00 0.00 C ATOM 528 CD2 TYR A 38 6.765 0.314 5.474 1.00 0.00 C ATOM 529 CE1 TYR A 38 8.995 1.547 6.612 1.00 0.00 C ATOM 530 CE2 TYR A 38 8.070 -0.290 5.393 1.00 0.00 C ATOM 531 CZ TYR A 38 9.120 0.357 5.966 1.00 0.00 C ATOM 532 OH TYR A 38 10.353 -0.213 5.890 1.00 0.00 O ATOM 0 H TYR A 38 5.825 4.914 6.005 1.00 0.00 H new ATOM 0 HA TYR A 38 4.957 2.805 4.127 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.097 2.619 7.191 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.459 1.381 6.127 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.562 3.096 7.200 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.914 -0.178 5.027 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.855 2.028 7.054 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.211 -1.235 4.889 1.00 0.00 H new ATOM 0 HH TYR A 38 10.264 -1.151 5.622 1.00 0.00 H new ATOM 542 N VAL A 39 2.570 3.228 4.759 1.00 0.00 N ATOM 543 CA VAL A 39 1.205 3.706 4.895 1.00 0.00 C ATOM 544 C VAL A 39 0.763 3.564 6.353 1.00 0.00 C ATOM 545 O VAL A 39 1.058 2.560 7.000 1.00 0.00 O ATOM 546 CB VAL A 39 0.290 2.964 3.919 1.00 0.00 C ATOM 547 CG1 VAL A 39 -1.151 3.464 4.030 1.00 0.00 C ATOM 548 CG2 VAL A 39 0.805 3.089 2.483 1.00 0.00 C ATOM 0 H VAL A 39 2.676 2.406 4.165 1.00 0.00 H new ATOM 0 HA VAL A 39 1.144 4.763 4.637 1.00 0.00 H new ATOM 0 HB VAL A 39 0.299 1.908 4.188 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.780 2.920 3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.516 3.300 5.044 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.185 4.529 3.800 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.137 2.553 1.809 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.839 4.141 2.199 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.806 2.662 2.417 1.00 0.00 H new ATOM 558 N SER A 40 0.064 4.584 6.828 1.00 0.00 N ATOM 559 CA SER A 40 -0.421 4.586 8.198 1.00 0.00 C ATOM 560 C SER A 40 -1.944 4.441 8.213 1.00 0.00 C ATOM 561 O SER A 40 -2.496 3.740 9.060 1.00 0.00 O ATOM 562 CB SER A 40 -0.002 5.863 8.929 1.00 0.00 C ATOM 563 OG SER A 40 -0.858 6.153 10.031 1.00 0.00 O ATOM 0 H SER A 40 -0.178 5.415 6.289 1.00 0.00 H new ATOM 0 HA SER A 40 0.024 3.739 8.720 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.023 5.758 9.284 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.013 6.700 8.231 1.00 0.00 H new ATOM 0 HG SER A 40 -0.556 6.974 10.472 1.00 0.00 H new ATOM 569 N LEU A 41 -2.581 5.117 7.268 1.00 0.00 N ATOM 570 CA LEU A 41 -4.029 5.072 7.162 1.00 0.00 C ATOM 571 C LEU A 41 -4.431 5.122 5.686 1.00 0.00 C ATOM 572 O LEU A 41 -3.729 5.716 4.869 1.00 0.00 O ATOM 573 CB LEU A 41 -4.662 6.178 8.009 1.00 0.00 C ATOM 574 CG LEU A 41 -6.155 6.426 7.782 1.00 0.00 C ATOM 575 CD1 LEU A 41 -6.406 7.023 6.395 1.00 0.00 C ATOM 576 CD2 LEU A 41 -6.965 5.148 8.011 1.00 0.00 C ATOM 0 H LEU A 41 -2.120 5.699 6.569 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.411 4.134 7.565 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.510 5.935 9.061 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.126 7.107 7.816 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.495 7.158 8.515 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.474 7.190 6.259 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.876 7.972 6.306 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.046 6.333 5.631 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.022 5.352 7.843 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.630 4.376 7.318 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.820 4.804 9.035 1.00 0.00 H new ATOM 588 N VAL A 42 -5.557 4.491 5.391 1.00 0.00 N ATOM 589 CA VAL A 42 -6.060 4.456 4.028 1.00 0.00 C ATOM 590 C VAL A 42 -7.569 4.708 4.039 1.00 0.00 C ATOM 591 O VAL A 42 -8.325 3.950 4.646 1.00 0.00 O ATOM 592 CB VAL A 42 -5.681 3.131 3.364 1.00 0.00 C ATOM 593 CG1 VAL A 42 -6.648 2.790 2.228 1.00 0.00 C ATOM 594 CG2 VAL A 42 -4.236 3.164 2.862 1.00 0.00 C ATOM 0 H VAL A 42 -6.136 4.000 6.072 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.602 5.246 3.432 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.758 2.345 4.116 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.356 1.844 1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.660 2.705 2.625 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.618 3.578 1.476 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.991 2.210 2.394 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.123 3.966 2.132 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.563 3.339 3.701 1.00 0.00 H new ATOM 604 N GLU A 43 -7.964 5.777 3.362 1.00 0.00 N ATOM 605 CA GLU A 43 -9.369 6.138 3.287 1.00 0.00 C ATOM 606 C GLU A 43 -10.145 5.088 2.489 1.00 0.00 C ATOM 607 O GLU A 43 -9.662 4.595 1.471 1.00 0.00 O ATOM 608 CB GLU A 43 -9.545 7.530 2.677 1.00 0.00 C ATOM 609 CG GLU A 43 -9.141 8.620 3.673 1.00 0.00 C ATOM 610 CD GLU A 43 -10.297 9.590 3.924 1.00 0.00 C ATOM 611 OE1 GLU A 43 -11.220 9.191 4.667 1.00 0.00 O ATOM 612 OE2 GLU A 43 -10.232 10.707 3.368 1.00 0.00 O ATOM 0 H GLU A 43 -7.335 6.404 2.861 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.771 6.167 4.300 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.940 7.615 1.774 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.584 7.672 2.379 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.835 8.162 4.614 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.280 9.167 3.289 1.00 0.00 H new ATOM 619 N PRO A 44 -11.367 4.769 2.994 1.00 0.00 N ATOM 620 CA PRO A 44 -12.214 3.787 2.340 1.00 0.00 C ATOM 621 C PRO A 44 -12.851 4.368 1.075 1.00 0.00 C ATOM 622 O PRO A 44 -12.877 5.584 0.891 1.00 0.00 O ATOM 623 CB PRO A 44 -13.238 3.388 3.390 1.00 0.00 C ATOM 624 CG PRO A 44 -13.215 4.493 4.434 1.00 0.00 C ATOM 625 CD PRO A 44 -11.971 5.333 4.198 1.00 0.00 C ATOM 0 HA PRO A 44 -11.658 2.916 1.994 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.230 3.287 2.950 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.987 2.425 3.835 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.111 5.109 4.358 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.204 4.069 5.438 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.223 6.384 4.059 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.289 5.278 5.046 1.00 0.00 H new ATOM 633 N GLY A 45 -13.348 3.471 0.236 1.00 0.00 N ATOM 634 CA GLY A 45 -13.983 3.879 -1.005 1.00 0.00 C ATOM 635 C GLY A 45 -13.253 5.070 -1.629 1.00 0.00 C ATOM 636 O GLY A 45 -13.869 5.902 -2.294 1.00 0.00 O ATOM 0 H GLY A 45 -13.324 2.463 0.392 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -13.990 3.044 -1.706 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -15.023 4.144 -0.815 1.00 0.00 H new ATOM 640 N SER A 46 -11.950 5.115 -1.392 1.00 0.00 N ATOM 641 CA SER A 46 -11.129 6.191 -1.921 1.00 0.00 C ATOM 642 C SER A 46 -10.369 5.708 -3.158 1.00 0.00 C ATOM 643 O SER A 46 -10.470 4.542 -3.538 1.00 0.00 O ATOM 644 CB SER A 46 -10.151 6.708 -0.865 1.00 0.00 C ATOM 645 OG SER A 46 -8.995 5.882 -0.757 1.00 0.00 O ATOM 0 H SER A 46 -11.442 4.423 -0.840 1.00 0.00 H new ATOM 0 HA SER A 46 -11.784 7.015 -2.203 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.848 7.724 -1.118 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.653 6.757 0.101 1.00 0.00 H new ATOM 0 HG SER A 46 -9.070 5.317 0.041 1.00 0.00 H new ATOM 651 N LEU A 47 -9.624 6.629 -3.753 1.00 0.00 N ATOM 652 CA LEU A 47 -8.847 6.312 -4.939 1.00 0.00 C ATOM 653 C LEU A 47 -7.670 5.417 -4.547 1.00 0.00 C ATOM 654 O LEU A 47 -7.445 4.376 -5.164 1.00 0.00 O ATOM 655 CB LEU A 47 -8.431 7.593 -5.664 1.00 0.00 C ATOM 656 CG LEU A 47 -7.593 7.404 -6.931 1.00 0.00 C ATOM 657 CD1 LEU A 47 -8.050 6.170 -7.711 1.00 0.00 C ATOM 658 CD2 LEU A 47 -7.613 8.667 -7.794 1.00 0.00 C ATOM 0 H LEU A 47 -9.542 7.595 -3.435 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.451 5.751 -5.652 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.332 8.147 -5.927 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.867 8.214 -4.968 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.558 7.233 -6.634 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.439 6.059 -8.606 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.942 5.284 -7.086 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -9.095 6.287 -7.998 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.010 8.506 -8.688 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.639 8.893 -8.084 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.204 9.502 -7.226 1.00 0.00 H new ATOM 670 N ALA A 48 -6.950 5.853 -3.524 1.00 0.00 N ATOM 671 CA ALA A 48 -5.802 5.104 -3.044 1.00 0.00 C ATOM 672 C ALA A 48 -6.197 3.638 -2.855 1.00 0.00 C ATOM 673 O ALA A 48 -5.700 2.762 -3.561 1.00 0.00 O ATOM 674 CB ALA A 48 -5.283 5.738 -1.752 1.00 0.00 C ATOM 0 H ALA A 48 -7.140 6.716 -3.014 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.992 5.136 -3.772 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.421 5.176 -1.392 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.988 6.769 -1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.069 5.721 -0.997 1.00 0.00 H new ATOM 680 N GLU A 49 -7.088 3.416 -1.900 1.00 0.00 N ATOM 681 CA GLU A 49 -7.555 2.071 -1.610 1.00 0.00 C ATOM 682 C GLU A 49 -7.981 1.368 -2.900 1.00 0.00 C ATOM 683 O GLU A 49 -7.831 0.153 -3.027 1.00 0.00 O ATOM 684 CB GLU A 49 -8.700 2.096 -0.595 1.00 0.00 C ATOM 685 CG GLU A 49 -9.175 0.678 -0.270 1.00 0.00 C ATOM 686 CD GLU A 49 -9.061 0.392 1.229 1.00 0.00 C ATOM 687 OE1 GLU A 49 -9.566 1.231 2.006 1.00 0.00 O ATOM 688 OE2 GLU A 49 -8.472 -0.658 1.563 1.00 0.00 O ATOM 0 H GLU A 49 -7.499 4.145 -1.317 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.733 1.509 -1.167 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.371 2.591 0.318 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.530 2.680 -0.992 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.210 0.555 -0.590 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.581 -0.045 -0.828 1.00 0.00 H new ATOM 695 N LYS A 50 -8.502 2.161 -3.825 1.00 0.00 N ATOM 696 CA LYS A 50 -8.950 1.629 -5.100 1.00 0.00 C ATOM 697 C LYS A 50 -7.733 1.226 -5.936 1.00 0.00 C ATOM 698 O LYS A 50 -7.799 0.281 -6.720 1.00 0.00 O ATOM 699 CB LYS A 50 -9.875 2.626 -5.802 1.00 0.00 C ATOM 700 CG LYS A 50 -11.302 2.523 -5.262 1.00 0.00 C ATOM 701 CD LYS A 50 -12.110 3.776 -5.606 1.00 0.00 C ATOM 702 CE LYS A 50 -13.069 3.509 -6.768 1.00 0.00 C ATOM 703 NZ LYS A 50 -14.373 4.166 -6.527 1.00 0.00 N ATOM 0 H LYS A 50 -8.624 3.168 -3.716 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.546 0.729 -4.948 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.500 3.639 -5.658 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.874 2.435 -6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.791 1.644 -5.682 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.277 2.388 -4.181 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.674 4.101 -4.732 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.433 4.589 -5.868 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.635 3.879 -7.697 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.213 2.435 -6.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.011 3.974 -7.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.793 3.794 -5.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.233 5.192 -6.435 1.00 0.00 H new ATOM 717 N GLU A 51 -6.650 1.963 -5.739 1.00 0.00 N ATOM 718 CA GLU A 51 -5.420 1.695 -6.464 1.00 0.00 C ATOM 719 C GLU A 51 -4.763 0.416 -5.941 1.00 0.00 C ATOM 720 O GLU A 51 -3.955 -0.200 -6.634 1.00 0.00 O ATOM 721 CB GLU A 51 -4.459 2.882 -6.372 1.00 0.00 C ATOM 722 CG GLU A 51 -4.979 4.072 -7.180 1.00 0.00 C ATOM 723 CD GLU A 51 -5.230 3.679 -8.637 1.00 0.00 C ATOM 724 OE1 GLU A 51 -6.364 3.236 -8.918 1.00 0.00 O ATOM 725 OE2 GLU A 51 -4.281 3.831 -9.437 1.00 0.00 O ATOM 0 H GLU A 51 -6.599 2.746 -5.087 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.666 1.550 -7.516 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.334 3.173 -5.329 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.476 2.589 -6.741 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.903 4.442 -6.735 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.257 4.887 -7.139 1.00 0.00 H new ATOM 732 N GLY A 52 -5.136 0.054 -4.722 1.00 0.00 N ATOM 733 CA GLY A 52 -4.593 -1.141 -4.097 1.00 0.00 C ATOM 734 C GLY A 52 -3.904 -0.803 -2.774 1.00 0.00 C ATOM 735 O GLY A 52 -3.686 -1.682 -1.941 1.00 0.00 O ATOM 0 H GLY A 52 -5.807 0.567 -4.150 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.394 -1.859 -3.921 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.881 -1.617 -4.771 1.00 0.00 H new ATOM 739 N LEU A 53 -3.580 0.473 -2.621 1.00 0.00 N ATOM 740 CA LEU A 53 -2.920 0.938 -1.412 1.00 0.00 C ATOM 741 C LEU A 53 -3.667 0.401 -0.190 1.00 0.00 C ATOM 742 O LEU A 53 -4.809 -0.042 -0.301 1.00 0.00 O ATOM 743 CB LEU A 53 -2.783 2.461 -1.429 1.00 0.00 C ATOM 744 CG LEU A 53 -1.465 3.022 -0.893 1.00 0.00 C ATOM 745 CD1 LEU A 53 -0.465 3.253 -2.028 1.00 0.00 C ATOM 746 CD2 LEU A 53 -1.702 4.291 -0.071 1.00 0.00 C ATOM 0 H LEU A 53 -3.762 1.199 -3.314 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.903 0.550 -1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.911 2.806 -2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.600 2.886 -0.845 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.027 2.282 -0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.463 3.652 -1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.263 2.308 -2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.882 3.963 -2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.749 4.669 0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.174 5.048 -0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.352 4.062 0.773 1.00 0.00 H new ATOM 758 N ARG A 54 -2.992 0.457 0.949 1.00 0.00 N ATOM 759 CA ARG A 54 -3.577 -0.018 2.191 1.00 0.00 C ATOM 760 C ARG A 54 -2.506 -0.113 3.280 1.00 0.00 C ATOM 761 O ARG A 54 -1.400 -0.588 3.028 1.00 0.00 O ATOM 762 CB ARG A 54 -4.227 -1.390 2.004 1.00 0.00 C ATOM 763 CG ARG A 54 -5.707 -1.352 2.390 1.00 0.00 C ATOM 764 CD ARG A 54 -5.983 -2.256 3.593 1.00 0.00 C ATOM 765 NE ARG A 54 -6.548 -3.546 3.138 1.00 0.00 N ATOM 766 CZ ARG A 54 -7.057 -4.475 3.959 1.00 0.00 C ATOM 767 NH1 ARG A 54 -7.077 -4.261 5.282 1.00 0.00 N ATOM 768 NH2 ARG A 54 -7.548 -5.616 3.458 1.00 0.00 N ATOM 0 H ARG A 54 -2.045 0.825 1.037 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.343 0.697 2.491 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.126 -1.706 0.966 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.707 -2.129 2.614 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.999 -0.329 2.625 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.316 -1.671 1.544 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.061 -2.429 4.147 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.678 -1.766 4.275 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.550 -3.740 2.137 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.705 -3.391 5.664 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.464 -4.968 5.907 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.535 -5.778 2.451 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.935 -6.323 4.083 1.00 0.00 H new ATOM 782 N VAL A 55 -2.873 0.348 4.467 1.00 0.00 N ATOM 783 CA VAL A 55 -1.958 0.321 5.595 1.00 0.00 C ATOM 784 C VAL A 55 -1.183 -0.999 5.586 1.00 0.00 C ATOM 785 O VAL A 55 -1.771 -2.069 5.734 1.00 0.00 O ATOM 786 CB VAL A 55 -2.726 0.554 6.898 1.00 0.00 C ATOM 787 CG1 VAL A 55 -1.820 0.346 8.113 1.00 0.00 C ATOM 788 CG2 VAL A 55 -3.361 1.946 6.918 1.00 0.00 C ATOM 0 H VAL A 55 -3.791 0.742 4.672 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.229 1.127 5.514 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.529 -0.181 6.950 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.390 0.518 9.026 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.437 -0.675 8.111 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.986 1.046 8.069 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.901 2.086 7.855 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.581 2.703 6.832 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.054 2.042 6.082 1.00 0.00 H new ATOM 798 N GLY A 56 0.125 -0.878 5.412 1.00 0.00 N ATOM 799 CA GLY A 56 0.987 -2.048 5.381 1.00 0.00 C ATOM 800 C GLY A 56 2.074 -1.900 4.316 1.00 0.00 C ATOM 801 O GLY A 56 3.238 -2.211 4.564 1.00 0.00 O ATOM 0 H GLY A 56 0.609 0.012 5.291 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.448 -2.191 6.359 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.391 -2.938 5.177 1.00 0.00 H new ATOM 805 N ASP A 57 1.657 -1.426 3.151 1.00 0.00 N ATOM 806 CA ASP A 57 2.581 -1.233 2.047 1.00 0.00 C ATOM 807 C ASP A 57 3.791 -0.432 2.534 1.00 0.00 C ATOM 808 O ASP A 57 3.865 -0.063 3.705 1.00 0.00 O ATOM 809 CB ASP A 57 1.924 -0.451 0.908 1.00 0.00 C ATOM 810 CG ASP A 57 0.642 -1.074 0.352 1.00 0.00 C ATOM 811 OD1 ASP A 57 0.120 -1.991 1.021 1.00 0.00 O ATOM 812 OD2 ASP A 57 0.213 -0.618 -0.730 1.00 0.00 O ATOM 0 H ASP A 57 0.691 -1.170 2.948 1.00 0.00 H new ATOM 0 HA ASP A 57 2.881 -2.216 1.683 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.698 0.555 1.261 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.643 -0.349 0.095 1.00 0.00 H new ATOM 817 N GLN A 58 4.708 -0.187 1.610 1.00 0.00 N ATOM 818 CA GLN A 58 5.911 0.564 1.930 1.00 0.00 C ATOM 819 C GLN A 58 6.240 1.545 0.804 1.00 0.00 C ATOM 820 O GLN A 58 6.602 1.133 -0.297 1.00 0.00 O ATOM 821 CB GLN A 58 7.088 -0.376 2.200 1.00 0.00 C ATOM 822 CG GLN A 58 8.349 0.413 2.556 1.00 0.00 C ATOM 823 CD GLN A 58 9.531 -0.526 2.805 1.00 0.00 C ATOM 824 OE1 GLN A 58 9.454 -1.728 2.613 1.00 0.00 O ATOM 825 NE2 GLN A 58 10.626 0.088 3.243 1.00 0.00 N ATOM 0 H GLN A 58 4.643 -0.495 0.640 1.00 0.00 H new ATOM 0 HA GLN A 58 5.728 1.135 2.840 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.837 -1.054 3.015 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.276 -0.991 1.320 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.592 1.102 1.747 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.166 1.017 3.445 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.623 1.098 3.383 1.00 0.00 H new ATOM 0 HE22 GLN A 58 11.469 -0.451 3.439 1.00 0.00 H new ATOM 834 N ILE A 59 6.102 2.825 1.118 1.00 0.00 N ATOM 835 CA ILE A 59 6.379 3.869 0.146 1.00 0.00 C ATOM 836 C ILE A 59 7.881 3.900 -0.146 1.00 0.00 C ATOM 837 O ILE A 59 8.620 4.671 0.465 1.00 0.00 O ATOM 838 CB ILE A 59 5.818 5.209 0.624 1.00 0.00 C ATOM 839 CG1 ILE A 59 4.344 5.078 1.014 1.00 0.00 C ATOM 840 CG2 ILE A 59 6.038 6.301 -0.425 1.00 0.00 C ATOM 841 CD1 ILE A 59 3.460 4.923 -0.226 1.00 0.00 C ATOM 0 H ILE A 59 5.802 3.163 2.032 1.00 0.00 H new ATOM 0 HA ILE A 59 5.874 3.657 -0.796 1.00 0.00 H new ATOM 0 HB ILE A 59 6.363 5.508 1.519 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.213 4.216 1.669 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.034 5.957 1.578 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.630 7.244 -0.060 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.106 6.416 -0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.535 6.022 -1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.418 4.832 0.079 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.575 5.797 -0.867 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.757 4.029 -0.775 1.00 0.00 H new ATOM 853 N LEU A 60 8.287 3.054 -1.081 1.00 0.00 N ATOM 854 CA LEU A 60 9.687 2.975 -1.462 1.00 0.00 C ATOM 855 C LEU A 60 10.116 4.303 -2.090 1.00 0.00 C ATOM 856 O LEU A 60 11.065 4.935 -1.628 1.00 0.00 O ATOM 857 CB LEU A 60 9.930 1.762 -2.363 1.00 0.00 C ATOM 858 CG LEU A 60 9.298 0.448 -1.902 1.00 0.00 C ATOM 859 CD1 LEU A 60 9.605 -0.683 -2.886 1.00 0.00 C ATOM 860 CD2 LEU A 60 9.732 0.100 -0.476 1.00 0.00 C ATOM 0 H LEU A 60 7.671 2.417 -1.586 1.00 0.00 H new ATOM 0 HA LEU A 60 10.313 2.820 -0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.554 1.993 -3.360 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.006 1.612 -2.455 1.00 0.00 H new ATOM 0 HG LEU A 60 8.216 0.577 -1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.144 -1.606 -2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.206 -0.429 -3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.684 -0.820 -2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.268 -0.839 -0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.817 -0.003 -0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.421 0.894 0.203 1.00 0.00 H new ATOM 872 N ARG A 61 9.395 4.687 -3.134 1.00 0.00 N ATOM 873 CA ARG A 61 9.689 5.928 -3.830 1.00 0.00 C ATOM 874 C ARG A 61 8.455 6.833 -3.846 1.00 0.00 C ATOM 875 O ARG A 61 7.345 6.379 -3.575 1.00 0.00 O ATOM 876 CB ARG A 61 10.135 5.660 -5.269 1.00 0.00 C ATOM 877 CG ARG A 61 11.646 5.434 -5.342 1.00 0.00 C ATOM 878 CD ARG A 61 12.038 4.770 -6.663 1.00 0.00 C ATOM 879 NE ARG A 61 13.467 4.385 -6.632 1.00 0.00 N ATOM 880 CZ ARG A 61 14.032 3.525 -7.491 1.00 0.00 C ATOM 881 NH1 ARG A 61 13.293 2.956 -8.453 1.00 0.00 N ATOM 882 NH2 ARG A 61 15.336 3.235 -7.388 1.00 0.00 N ATOM 0 H ARG A 61 8.608 4.161 -3.514 1.00 0.00 H new ATOM 0 HA ARG A 61 10.500 6.423 -3.296 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.614 4.785 -5.658 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.859 6.503 -5.902 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.165 6.387 -5.242 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.964 4.809 -4.508 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.419 3.889 -6.834 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.855 5.454 -7.492 1.00 0.00 H new ATOM 0 HE ARG A 61 14.059 4.800 -5.912 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.300 3.177 -8.532 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.723 2.302 -9.107 1.00 0.00 H new ATOM 0 HH21 ARG A 61 15.899 3.669 -6.656 1.00 0.00 H new ATOM 0 HH22 ARG A 61 15.766 2.581 -8.042 1.00 0.00 H new ATOM 896 N VAL A 62 8.692 8.097 -4.165 1.00 0.00 N ATOM 897 CA VAL A 62 7.614 9.069 -4.220 1.00 0.00 C ATOM 898 C VAL A 62 7.871 10.046 -5.369 1.00 0.00 C ATOM 899 O VAL A 62 8.760 10.891 -5.283 1.00 0.00 O ATOM 900 CB VAL A 62 7.468 9.766 -2.865 1.00 0.00 C ATOM 901 CG1 VAL A 62 8.581 10.795 -2.656 1.00 0.00 C ATOM 902 CG2 VAL A 62 6.089 10.413 -2.726 1.00 0.00 C ATOM 0 H VAL A 62 9.615 8.470 -4.388 1.00 0.00 H new ATOM 0 HA VAL A 62 6.664 8.574 -4.421 1.00 0.00 H new ATOM 0 HB VAL A 62 7.561 9.009 -2.087 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.454 11.276 -1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.549 10.296 -2.690 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.533 11.547 -3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.012 10.901 -1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.953 11.152 -3.515 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.318 9.647 -2.809 1.00 0.00 H new ATOM 912 N ASN A 63 7.076 9.896 -6.419 1.00 0.00 N ATOM 913 CA ASN A 63 7.206 10.754 -7.584 1.00 0.00 C ATOM 914 C ASN A 63 8.404 10.295 -8.419 1.00 0.00 C ATOM 915 O ASN A 63 8.256 9.968 -9.595 1.00 0.00 O ATOM 916 CB ASN A 63 7.446 12.208 -7.173 1.00 0.00 C ATOM 917 CG ASN A 63 6.565 13.160 -7.986 1.00 0.00 C ATOM 918 OD1 ASN A 63 6.601 13.192 -9.205 1.00 0.00 O ATOM 919 ND2 ASN A 63 5.774 13.931 -7.245 1.00 0.00 N ATOM 0 H ASN A 63 6.340 9.193 -6.487 1.00 0.00 H new ATOM 0 HA ASN A 63 6.280 10.689 -8.156 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.235 12.329 -6.111 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.496 12.463 -7.320 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.148 14.600 -7.694 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.793 13.853 -6.228 1.00 0.00 H new ATOM 926 N ASP A 64 9.563 10.286 -7.777 1.00 0.00 N ATOM 927 CA ASP A 64 10.785 9.873 -8.445 1.00 0.00 C ATOM 928 C ASP A 64 11.883 9.656 -7.402 1.00 0.00 C ATOM 929 O ASP A 64 12.620 8.673 -7.467 1.00 0.00 O ATOM 930 CB ASP A 64 11.268 10.945 -9.424 1.00 0.00 C ATOM 931 CG ASP A 64 11.983 10.412 -10.667 1.00 0.00 C ATOM 932 OD1 ASP A 64 12.643 9.359 -10.534 1.00 0.00 O ATOM 933 OD2 ASP A 64 11.853 11.070 -11.722 1.00 0.00 O ATOM 0 H ASP A 64 9.681 10.558 -6.801 1.00 0.00 H new ATOM 0 HA ASP A 64 10.576 8.954 -8.992 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.410 11.537 -9.743 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.943 11.619 -8.897 1.00 0.00 H new ATOM 938 N LYS A 65 11.958 10.590 -6.465 1.00 0.00 N ATOM 939 CA LYS A 65 12.954 10.513 -5.410 1.00 0.00 C ATOM 940 C LYS A 65 12.579 9.389 -4.442 1.00 0.00 C ATOM 941 O LYS A 65 11.403 9.187 -4.146 1.00 0.00 O ATOM 942 CB LYS A 65 13.125 11.875 -4.735 1.00 0.00 C ATOM 943 CG LYS A 65 14.549 12.050 -4.204 1.00 0.00 C ATOM 944 CD LYS A 65 15.517 12.401 -5.336 1.00 0.00 C ATOM 945 CE LYS A 65 16.887 11.762 -5.104 1.00 0.00 C ATOM 946 NZ LYS A 65 17.854 12.771 -4.616 1.00 0.00 N ATOM 0 H LYS A 65 11.345 11.404 -6.415 1.00 0.00 H new ATOM 0 HA LYS A 65 13.931 10.264 -5.825 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.899 12.669 -5.447 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.413 11.970 -3.915 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.566 12.837 -3.450 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.874 11.132 -3.714 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.109 12.059 -6.287 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.624 13.484 -5.405 1.00 0.00 H new ATOM 0 HE2 LYS A 65 16.799 10.953 -4.379 1.00 0.00 H new ATOM 0 HE3 LYS A 65 17.251 11.320 -6.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 18.779 12.320 -4.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 17.950 13.529 -5.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 17.513 13.173 -3.720 1.00 0.00 H new ATOM 960 N SER A 66 13.602 8.688 -3.975 1.00 0.00 N ATOM 961 CA SER A 66 13.395 7.590 -3.047 1.00 0.00 C ATOM 962 C SER A 66 13.511 8.094 -1.606 1.00 0.00 C ATOM 963 O SER A 66 14.392 8.892 -1.293 1.00 0.00 O ATOM 964 CB SER A 66 14.397 6.461 -3.296 1.00 0.00 C ATOM 965 OG SER A 66 15.738 6.874 -3.049 1.00 0.00 O ATOM 0 H SER A 66 14.577 8.859 -4.222 1.00 0.00 H new ATOM 0 HA SER A 66 12.393 7.192 -3.207 1.00 0.00 H new ATOM 0 HB2 SER A 66 14.155 5.613 -2.655 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.307 6.117 -4.327 1.00 0.00 H new ATOM 0 HG SER A 66 16.347 6.125 -3.217 1.00 0.00 H new ATOM 971 N LEU A 67 12.607 7.606 -0.769 1.00 0.00 N ATOM 972 CA LEU A 67 12.597 7.997 0.631 1.00 0.00 C ATOM 973 C LEU A 67 13.471 7.030 1.432 1.00 0.00 C ATOM 974 O LEU A 67 13.052 6.525 2.473 1.00 0.00 O ATOM 975 CB LEU A 67 11.161 8.100 1.148 1.00 0.00 C ATOM 976 CG LEU A 67 10.156 8.771 0.209 1.00 0.00 C ATOM 977 CD1 LEU A 67 8.719 8.480 0.645 1.00 0.00 C ATOM 978 CD2 LEU A 67 10.429 10.272 0.097 1.00 0.00 C ATOM 0 H LEU A 67 11.877 6.944 -1.033 1.00 0.00 H new ATOM 0 HA LEU A 67 13.027 8.991 0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.804 7.095 1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.173 8.651 2.088 1.00 0.00 H new ATOM 0 HG LEU A 67 10.282 8.346 -0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.025 8.969 -0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.545 7.404 0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.561 8.860 1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.701 10.725 -0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.347 10.731 1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.434 10.431 -0.295 1.00 0.00 H new ATOM 990 N ALA A 68 14.670 6.802 0.918 1.00 0.00 N ATOM 991 CA ALA A 68 15.607 5.904 1.572 1.00 0.00 C ATOM 992 C ALA A 68 15.546 6.126 3.085 1.00 0.00 C ATOM 993 O ALA A 68 15.015 5.292 3.817 1.00 0.00 O ATOM 994 CB ALA A 68 17.011 6.130 1.006 1.00 0.00 C ATOM 0 H ALA A 68 15.015 7.224 0.056 1.00 0.00 H new ATOM 0 HA ALA A 68 15.341 4.865 1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.714 5.457 1.497 1.00 0.00 H new ATOM 0 HB2 ALA A 68 17.007 5.933 -0.066 1.00 0.00 H new ATOM 0 HB3 ALA A 68 17.313 7.162 1.184 1.00 0.00 H new ATOM 1000 N ARG A 69 16.098 7.254 3.509 1.00 0.00 N ATOM 1001 CA ARG A 69 16.113 7.595 4.921 1.00 0.00 C ATOM 1002 C ARG A 69 15.926 9.102 5.105 1.00 0.00 C ATOM 1003 O ARG A 69 16.896 9.833 5.300 1.00 0.00 O ATOM 1004 CB ARG A 69 17.427 7.167 5.577 1.00 0.00 C ATOM 1005 CG ARG A 69 17.215 5.961 6.494 1.00 0.00 C ATOM 1006 CD ARG A 69 18.401 5.779 7.444 1.00 0.00 C ATOM 1007 NE ARG A 69 18.187 4.589 8.298 1.00 0.00 N ATOM 1008 CZ ARG A 69 18.384 3.328 7.891 1.00 0.00 C ATOM 1009 NH1 ARG A 69 18.800 3.084 6.641 1.00 0.00 N ATOM 1010 NH2 ARG A 69 18.165 2.310 8.735 1.00 0.00 N ATOM 0 H ARG A 69 16.538 7.943 2.899 1.00 0.00 H new ATOM 0 HA ARG A 69 15.291 7.062 5.399 1.00 0.00 H new ATOM 0 HB2 ARG A 69 18.158 6.919 4.807 1.00 0.00 H new ATOM 0 HB3 ARG A 69 17.838 7.997 6.151 1.00 0.00 H new ATOM 0 HG2 ARG A 69 16.300 6.095 7.071 1.00 0.00 H new ATOM 0 HG3 ARG A 69 17.085 5.061 5.893 1.00 0.00 H new ATOM 0 HD2 ARG A 69 19.322 5.666 6.872 1.00 0.00 H new ATOM 0 HD3 ARG A 69 18.519 6.667 8.066 1.00 0.00 H new ATOM 0 HE ARG A 69 17.870 4.738 9.256 1.00 0.00 H new ATOM 0 HH11 ARG A 69 18.967 3.859 5.999 1.00 0.00 H new ATOM 0 HH12 ARG A 69 18.950 2.124 6.332 1.00 0.00 H new ATOM 0 HH21 ARG A 69 17.848 2.496 9.687 1.00 0.00 H new ATOM 0 HH22 ARG A 69 18.315 1.350 8.426 1.00 0.00 H new ATOM 1024 N VAL A 70 14.671 9.524 5.036 1.00 0.00 N ATOM 1025 CA VAL A 70 14.345 10.931 5.192 1.00 0.00 C ATOM 1026 C VAL A 70 13.284 11.085 6.284 1.00 0.00 C ATOM 1027 O VAL A 70 12.480 10.181 6.506 1.00 0.00 O ATOM 1028 CB VAL A 70 13.911 11.520 3.849 1.00 0.00 C ATOM 1029 CG1 VAL A 70 15.008 11.351 2.796 1.00 0.00 C ATOM 1030 CG2 VAL A 70 12.597 10.895 3.375 1.00 0.00 C ATOM 0 H VAL A 70 13.868 8.916 4.874 1.00 0.00 H new ATOM 0 HA VAL A 70 15.223 11.494 5.509 1.00 0.00 H new ATOM 0 HB VAL A 70 13.743 12.588 3.991 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.674 11.778 1.851 1.00 0.00 H new ATOM 0 HG12 VAL A 70 15.912 11.863 3.126 1.00 0.00 H new ATOM 0 HG13 VAL A 70 15.221 10.291 2.660 1.00 0.00 H new ATOM 0 HG21 VAL A 70 12.311 11.331 2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.727 9.819 3.259 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.816 11.089 4.110 1.00 0.00 H new ATOM 1040 N THR A 71 13.315 12.238 6.936 1.00 0.00 N ATOM 1041 CA THR A 71 12.366 12.523 7.999 1.00 0.00 C ATOM 1042 C THR A 71 10.944 12.589 7.440 1.00 0.00 C ATOM 1043 O THR A 71 10.752 12.794 6.242 1.00 0.00 O ATOM 1044 CB THR A 71 12.807 13.813 8.693 1.00 0.00 C ATOM 1045 OG1 THR A 71 12.970 14.743 7.626 1.00 0.00 O ATOM 1046 CG2 THR A 71 14.204 13.700 9.306 1.00 0.00 C ATOM 0 H THR A 71 13.983 12.986 6.749 1.00 0.00 H new ATOM 0 HA THR A 71 12.353 11.726 8.742 1.00 0.00 H new ATOM 0 HB THR A 71 12.089 14.070 9.472 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.254 15.609 7.987 1.00 0.00 H new ATOM 0 HG21 THR A 71 14.468 14.642 9.786 1.00 0.00 H new ATOM 0 HG22 THR A 71 14.213 12.901 10.047 1.00 0.00 H new ATOM 0 HG23 THR A 71 14.928 13.476 8.523 1.00 0.00 H new ATOM 1054 N HIS A 72 9.982 12.411 8.333 1.00 0.00 N ATOM 1055 CA HIS A 72 8.582 12.448 7.944 1.00 0.00 C ATOM 1056 C HIS A 72 8.280 13.774 7.243 1.00 0.00 C ATOM 1057 O HIS A 72 7.430 13.830 6.355 1.00 0.00 O ATOM 1058 CB HIS A 72 7.676 12.196 9.151 1.00 0.00 C ATOM 1059 CG HIS A 72 6.392 11.476 8.814 1.00 0.00 C ATOM 1060 ND1 HIS A 72 5.144 12.054 8.977 1.00 0.00 N ATOM 1061 CD2 HIS A 72 6.175 10.223 8.322 1.00 0.00 C ATOM 1062 CE1 HIS A 72 4.225 11.178 8.598 1.00 0.00 C ATOM 1063 NE2 HIS A 72 4.866 10.044 8.192 1.00 0.00 N ATOM 0 H HIS A 72 10.144 12.241 9.326 1.00 0.00 H new ATOM 0 HA HIS A 72 8.376 11.646 7.235 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.225 11.612 9.889 1.00 0.00 H new ATOM 0 HB3 HIS A 72 7.434 13.151 9.617 1.00 0.00 H new ATOM 0 HD1 HIS A 72 4.963 12.994 9.329 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.939 9.499 8.079 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.156 11.334 8.609 1.00 0.00 H new ATOM 1071 N ALA A 73 8.992 14.807 7.667 1.00 0.00 N ATOM 1072 CA ALA A 73 8.810 16.128 7.090 1.00 0.00 C ATOM 1073 C ALA A 73 9.323 16.126 5.649 1.00 0.00 C ATOM 1074 O ALA A 73 8.796 16.841 4.798 1.00 0.00 O ATOM 1075 CB ALA A 73 9.521 17.167 7.960 1.00 0.00 C ATOM 0 H ALA A 73 9.696 14.756 8.403 1.00 0.00 H new ATOM 0 HA ALA A 73 7.753 16.393 7.063 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.385 18.158 7.528 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.100 17.149 8.965 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.585 16.935 8.008 1.00 0.00 H new ATOM 1081 N GLU A 74 10.344 15.314 5.419 1.00 0.00 N ATOM 1082 CA GLU A 74 10.934 15.209 4.095 1.00 0.00 C ATOM 1083 C GLU A 74 9.983 14.474 3.147 1.00 0.00 C ATOM 1084 O GLU A 74 9.543 15.036 2.145 1.00 0.00 O ATOM 1085 CB GLU A 74 12.295 14.513 4.155 1.00 0.00 C ATOM 1086 CG GLU A 74 13.387 15.483 4.611 1.00 0.00 C ATOM 1087 CD GLU A 74 13.557 16.628 3.611 1.00 0.00 C ATOM 1088 OE1 GLU A 74 14.100 16.352 2.519 1.00 0.00 O ATOM 1089 OE2 GLU A 74 13.140 17.753 3.960 1.00 0.00 O ATOM 0 H GLU A 74 10.778 14.722 6.127 1.00 0.00 H new ATOM 0 HA GLU A 74 11.094 16.216 3.709 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.245 13.667 4.841 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.546 14.112 3.173 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.133 15.886 5.591 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.330 14.948 4.721 1.00 0.00 H new ATOM 1096 N ALA A 75 9.695 13.230 3.498 1.00 0.00 N ATOM 1097 CA ALA A 75 8.804 12.413 2.691 1.00 0.00 C ATOM 1098 C ALA A 75 7.558 13.225 2.333 1.00 0.00 C ATOM 1099 O ALA A 75 7.118 13.217 1.184 1.00 0.00 O ATOM 1100 CB ALA A 75 8.465 11.127 3.448 1.00 0.00 C ATOM 0 H ALA A 75 10.062 12.768 4.330 1.00 0.00 H new ATOM 0 HA ALA A 75 9.288 12.124 1.758 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.797 10.514 2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.381 10.573 3.652 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.975 11.377 4.389 1.00 0.00 H new ATOM 1106 N VAL A 76 7.025 13.905 3.337 1.00 0.00 N ATOM 1107 CA VAL A 76 5.839 14.721 3.142 1.00 0.00 C ATOM 1108 C VAL A 76 6.150 15.836 2.141 1.00 0.00 C ATOM 1109 O VAL A 76 5.456 15.986 1.137 1.00 0.00 O ATOM 1110 CB VAL A 76 5.339 15.248 4.488 1.00 0.00 C ATOM 1111 CG1 VAL A 76 4.137 16.176 4.302 1.00 0.00 C ATOM 1112 CG2 VAL A 76 5.001 14.096 5.437 1.00 0.00 C ATOM 0 H VAL A 76 7.393 13.908 4.288 1.00 0.00 H new ATOM 0 HA VAL A 76 5.030 14.124 2.721 1.00 0.00 H new ATOM 0 HB VAL A 76 6.143 15.829 4.939 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.802 16.536 5.275 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.425 17.024 3.680 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.327 15.630 3.818 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.648 14.498 6.387 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.222 13.476 4.994 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.892 13.492 5.608 1.00 0.00 H new ATOM 1122 N LYS A 77 7.195 16.590 2.451 1.00 0.00 N ATOM 1123 CA LYS A 77 7.607 17.687 1.591 1.00 0.00 C ATOM 1124 C LYS A 77 7.965 17.139 0.208 1.00 0.00 C ATOM 1125 O LYS A 77 7.986 17.882 -0.771 1.00 0.00 O ATOM 1126 CB LYS A 77 8.735 18.486 2.247 1.00 0.00 C ATOM 1127 CG LYS A 77 8.176 19.539 3.205 1.00 0.00 C ATOM 1128 CD LYS A 77 9.218 19.935 4.253 1.00 0.00 C ATOM 1129 CE LYS A 77 10.043 21.133 3.780 1.00 0.00 C ATOM 1130 NZ LYS A 77 10.977 21.571 4.842 1.00 0.00 N ATOM 0 H LYS A 77 7.768 16.463 3.285 1.00 0.00 H new ATOM 0 HA LYS A 77 6.787 18.391 1.452 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.396 17.810 2.789 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.336 18.971 1.478 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.868 20.420 2.643 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.287 19.150 3.700 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.720 20.179 5.192 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.878 19.091 4.452 1.00 0.00 H new ATOM 0 HE2 LYS A 77 10.602 20.866 2.883 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.380 21.955 3.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.529 22.385 4.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.437 21.845 5.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.621 20.791 5.081 1.00 0.00 H new ATOM 1144 N ALA A 78 8.237 15.843 0.173 1.00 0.00 N ATOM 1145 CA ALA A 78 8.593 15.186 -1.074 1.00 0.00 C ATOM 1146 C ALA A 78 7.319 14.731 -1.787 1.00 0.00 C ATOM 1147 O ALA A 78 7.195 14.883 -3.002 1.00 0.00 O ATOM 1148 CB ALA A 78 9.547 14.025 -0.786 1.00 0.00 C ATOM 0 H ALA A 78 8.218 15.230 0.988 1.00 0.00 H new ATOM 0 HA ALA A 78 9.113 15.877 -1.737 1.00 0.00 H new ATOM 0 HB1 ALA A 78 9.814 13.533 -1.721 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.449 14.405 -0.306 1.00 0.00 H new ATOM 0 HB3 ALA A 78 9.059 13.309 -0.125 1.00 0.00 H new ATOM 1154 N LEU A 79 6.403 14.182 -1.002 1.00 0.00 N ATOM 1155 CA LEU A 79 5.143 13.704 -1.544 1.00 0.00 C ATOM 1156 C LEU A 79 4.595 14.732 -2.536 1.00 0.00 C ATOM 1157 O LEU A 79 4.727 14.563 -3.747 1.00 0.00 O ATOM 1158 CB LEU A 79 4.170 13.361 -0.414 1.00 0.00 C ATOM 1159 CG LEU A 79 4.081 11.882 -0.030 1.00 0.00 C ATOM 1160 CD1 LEU A 79 3.561 11.717 1.399 1.00 0.00 C ATOM 1161 CD2 LEU A 79 3.237 11.103 -1.041 1.00 0.00 C ATOM 0 H LEU A 79 6.509 14.058 0.005 1.00 0.00 H new ATOM 0 HA LEU A 79 5.294 12.777 -2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.457 13.929 0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.175 13.701 -0.702 1.00 0.00 H new ATOM 0 HG LEU A 79 5.086 11.461 -0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.507 10.657 1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.237 12.218 2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.568 12.159 1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.190 10.055 -0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.229 11.518 -1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.690 11.181 -2.029 1.00 0.00 H new ATOM 1257 N LEU A 85 1.863 12.646 -8.856 1.00 0.00 N ATOM 1258 CA LEU A 85 2.598 12.014 -7.773 1.00 0.00 C ATOM 1259 C LEU A 85 2.399 10.498 -7.846 1.00 0.00 C ATOM 1260 O LEU A 85 1.316 9.996 -7.551 1.00 0.00 O ATOM 1261 CB LEU A 85 2.199 12.623 -6.428 1.00 0.00 C ATOM 1262 CG LEU A 85 2.757 11.927 -5.185 1.00 0.00 C ATOM 1263 CD1 LEU A 85 4.174 11.408 -5.437 1.00 0.00 C ATOM 1264 CD2 LEU A 85 2.693 12.848 -3.965 1.00 0.00 C ATOM 0 HA LEU A 85 3.667 12.202 -7.876 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.522 13.664 -6.413 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.111 12.626 -6.361 1.00 0.00 H new ATOM 0 HG LEU A 85 2.131 11.062 -4.968 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.547 10.918 -4.538 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.159 10.694 -6.260 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.827 12.242 -5.693 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.096 12.329 -3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.281 13.746 -4.156 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.657 13.127 -3.773 1.00 0.00 H new ATOM 1276 N VAL A 86 3.462 9.813 -8.240 1.00 0.00 N ATOM 1277 CA VAL A 86 3.418 8.365 -8.355 1.00 0.00 C ATOM 1278 C VAL A 86 3.978 7.739 -7.075 1.00 0.00 C ATOM 1279 O VAL A 86 5.184 7.782 -6.835 1.00 0.00 O ATOM 1280 CB VAL A 86 4.163 7.917 -9.614 1.00 0.00 C ATOM 1281 CG1 VAL A 86 4.363 6.400 -9.623 1.00 0.00 C ATOM 1282 CG2 VAL A 86 3.433 8.381 -10.876 1.00 0.00 C ATOM 0 H VAL A 86 4.359 10.233 -8.484 1.00 0.00 H new ATOM 0 HA VAL A 86 2.389 8.022 -8.463 1.00 0.00 H new ATOM 0 HB VAL A 86 5.148 8.384 -9.605 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.895 6.109 -10.529 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.944 6.104 -8.750 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.392 5.905 -9.597 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.983 8.050 -11.757 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.430 7.955 -10.893 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.366 9.469 -10.878 1.00 0.00 H new ATOM 1292 N LEU A 87 3.075 7.172 -6.288 1.00 0.00 N ATOM 1293 CA LEU A 87 3.464 6.538 -5.040 1.00 0.00 C ATOM 1294 C LEU A 87 4.017 5.142 -5.332 1.00 0.00 C ATOM 1295 O LEU A 87 3.328 4.307 -5.916 1.00 0.00 O ATOM 1296 CB LEU A 87 2.296 6.542 -4.051 1.00 0.00 C ATOM 1297 CG LEU A 87 1.597 7.887 -3.844 1.00 0.00 C ATOM 1298 CD1 LEU A 87 2.618 9.012 -3.659 1.00 0.00 C ATOM 1299 CD2 LEU A 87 0.622 8.180 -4.985 1.00 0.00 C ATOM 0 H LEU A 87 2.076 7.139 -6.490 1.00 0.00 H new ATOM 0 HA LEU A 87 4.262 7.103 -4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.555 5.819 -4.391 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.662 6.193 -3.086 1.00 0.00 H new ATOM 0 HG LEU A 87 1.011 7.830 -2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.095 9.957 -3.514 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.237 8.802 -2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.250 9.079 -4.545 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.139 9.142 -4.813 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.166 8.211 -5.929 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.135 7.396 -5.027 1.00 0.00 H new ATOM 1311 N SER A 88 5.257 4.932 -4.914 1.00 0.00 N ATOM 1312 CA SER A 88 5.910 3.651 -5.124 1.00 0.00 C ATOM 1313 C SER A 88 5.766 2.779 -3.875 1.00 0.00 C ATOM 1314 O SER A 88 6.439 3.010 -2.871 1.00 0.00 O ATOM 1315 CB SER A 88 7.388 3.838 -5.473 1.00 0.00 C ATOM 1316 OG SER A 88 7.616 3.779 -6.878 1.00 0.00 O ATOM 0 H SER A 88 5.826 5.627 -4.431 1.00 0.00 H new ATOM 0 HA SER A 88 5.426 3.153 -5.964 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.732 4.799 -5.090 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.978 3.067 -4.977 1.00 0.00 H new ATOM 0 HG SER A 88 8.515 3.430 -7.049 1.00 0.00 H new ATOM 1322 N VAL A 89 4.885 1.795 -3.978 1.00 0.00 N ATOM 1323 CA VAL A 89 4.644 0.888 -2.869 1.00 0.00 C ATOM 1324 C VAL A 89 5.056 -0.529 -3.276 1.00 0.00 C ATOM 1325 O VAL A 89 5.038 -0.868 -4.458 1.00 0.00 O ATOM 1326 CB VAL A 89 3.183 0.981 -2.424 1.00 0.00 C ATOM 1327 CG1 VAL A 89 3.042 1.871 -1.188 1.00 0.00 C ATOM 1328 CG2 VAL A 89 2.294 1.481 -3.565 1.00 0.00 C ATOM 0 H VAL A 89 4.329 1.606 -4.812 1.00 0.00 H new ATOM 0 HA VAL A 89 5.250 1.169 -2.008 1.00 0.00 H new ATOM 0 HB VAL A 89 2.850 -0.021 -2.154 1.00 0.00 H new ATOM 0 HG11 VAL A 89 1.994 1.920 -0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.630 1.454 -0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.401 2.874 -1.419 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.261 1.538 -3.223 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.627 2.470 -3.879 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.360 0.791 -4.407 1.00 0.00 H new ATOM 1338 N TYR A 90 5.416 -1.317 -2.274 1.00 0.00 N ATOM 1339 CA TYR A 90 5.832 -2.688 -2.513 1.00 0.00 C ATOM 1340 C TYR A 90 4.962 -3.670 -1.725 1.00 0.00 C ATOM 1341 O TYR A 90 4.957 -3.651 -0.495 1.00 0.00 O ATOM 1342 CB TYR A 90 7.274 -2.786 -2.011 1.00 0.00 C ATOM 1343 CG TYR A 90 7.704 -4.203 -1.627 1.00 0.00 C ATOM 1344 CD1 TYR A 90 7.881 -5.160 -2.606 1.00 0.00 C ATOM 1345 CD2 TYR A 90 7.917 -4.525 -0.302 1.00 0.00 C ATOM 1346 CE1 TYR A 90 8.286 -6.493 -2.245 1.00 0.00 C ATOM 1347 CE2 TYR A 90 8.322 -5.859 0.059 1.00 0.00 C ATOM 1348 CZ TYR A 90 8.487 -6.777 -0.930 1.00 0.00 C ATOM 1349 OH TYR A 90 8.870 -8.037 -0.589 1.00 0.00 O ATOM 0 H TYR A 90 5.428 -1.032 -1.295 1.00 0.00 H new ATOM 0 HA TYR A 90 5.740 -2.938 -3.570 1.00 0.00 H new ATOM 0 HB2 TYR A 90 7.944 -2.411 -2.785 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.392 -2.134 -1.145 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.716 -4.908 -3.643 1.00 0.00 H new ATOM 0 HD2 TYR A 90 7.780 -3.776 0.464 1.00 0.00 H new ATOM 0 HE1 TYR A 90 8.427 -7.251 -3.001 1.00 0.00 H new ATOM 0 HE2 TYR A 90 8.491 -6.124 1.092 1.00 0.00 H new ATOM 0 HH TYR A 90 8.977 -8.094 0.383 1.00 0.00 H new ATOM 1359 N SER A 91 4.247 -4.504 -2.465 1.00 0.00 N ATOM 1360 CA SER A 91 3.376 -5.491 -1.851 1.00 0.00 C ATOM 1361 C SER A 91 4.136 -6.802 -1.641 1.00 0.00 C ATOM 1362 O SER A 91 5.157 -7.041 -2.283 1.00 0.00 O ATOM 1363 CB SER A 91 2.129 -5.732 -2.704 1.00 0.00 C ATOM 1364 OG SER A 91 1.385 -6.862 -2.256 1.00 0.00 O ATOM 0 H SER A 91 4.253 -4.516 -3.485 1.00 0.00 H new ATOM 0 HA SER A 91 3.053 -5.107 -0.884 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.494 -4.846 -2.676 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.424 -5.881 -3.743 1.00 0.00 H new ATOM 0 HG SER A 91 0.596 -6.981 -2.825 1.00 0.00 H new