USER MOD reduce.3.24.130724 H: found=0, std=0, add=291, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 293 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 66 GLN : amide:sc= 1.08 K(o=2.3,f=-9.4!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ 172:sc= 1.23 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -172:sc= 0.84 (180deg=0.741) USER MOD ----------------------------------------------------------------- ATOM 174 N VAL A 14 0.845 -21.288 -6.089 1.00 1.77 N ATOM 175 CA VAL A 14 -0.292 -20.390 -5.712 1.00 1.60 C ATOM 176 C VAL A 14 -0.028 -19.791 -4.325 1.00 1.73 C ATOM 177 O VAL A 14 -0.241 -18.616 -4.096 1.00 1.58 O ATOM 178 CB VAL A 14 -1.534 -21.292 -5.702 1.00 1.70 C ATOM 179 CG1 VAL A 14 -2.647 -20.650 -4.866 1.00 1.85 C ATOM 180 CG2 VAL A 14 -2.038 -21.484 -7.136 1.00 1.68 C ATOM 0 HA VAL A 14 -0.420 -19.556 -6.402 1.00 1.60 H new ATOM 0 HB VAL A 14 -1.265 -22.255 -5.268 1.00 1.70 H new ATOM 0 HG11 VAL A 14 -3.523 -21.299 -4.866 1.00 1.85 H new ATOM 0 HG12 VAL A 14 -2.299 -20.511 -3.842 1.00 1.85 H new ATOM 0 HG13 VAL A 14 -2.912 -19.683 -5.294 1.00 1.85 H new ATOM 0 HG21 VAL A 14 -2.920 -22.125 -7.129 1.00 1.68 H new ATOM 0 HG22 VAL A 14 -2.296 -20.515 -7.564 1.00 1.68 H new ATOM 0 HG23 VAL A 14 -1.257 -21.949 -7.737 1.00 1.68 H new ATOM 190 N VAL A 15 0.467 -20.585 -3.406 1.00 2.02 N ATOM 191 CA VAL A 15 0.773 -20.048 -2.043 1.00 2.17 C ATOM 192 C VAL A 15 1.977 -19.105 -2.130 1.00 2.13 C ATOM 193 O VAL A 15 1.995 -18.043 -1.535 1.00 2.07 O ATOM 194 CB VAL A 15 1.087 -21.276 -1.178 1.00 2.51 C ATOM 195 CG1 VAL A 15 1.782 -20.840 0.114 1.00 2.71 C ATOM 196 CG2 VAL A 15 -0.217 -21.997 -0.825 1.00 2.63 C ATOM 0 H VAL A 15 0.671 -21.575 -3.540 1.00 2.02 H new ATOM 0 HA VAL A 15 -0.053 -19.477 -1.619 1.00 2.17 H new ATOM 0 HB VAL A 15 1.743 -21.945 -1.735 1.00 2.51 H new ATOM 0 HG11 VAL A 15 2.002 -21.717 0.723 1.00 2.71 H new ATOM 0 HG12 VAL A 15 2.711 -20.325 -0.129 1.00 2.71 H new ATOM 0 HG13 VAL A 15 1.129 -20.167 0.669 1.00 2.71 H new ATOM 0 HG21 VAL A 15 0.005 -22.870 -0.211 1.00 2.63 H new ATOM 0 HG22 VAL A 15 -0.869 -21.320 -0.273 1.00 2.63 H new ATOM 0 HG23 VAL A 15 -0.716 -22.315 -1.740 1.00 2.63 H new ATOM 206 N THR A 16 2.971 -19.484 -2.888 1.00 2.21 N ATOM 207 CA THR A 16 4.182 -18.615 -3.047 1.00 2.28 C ATOM 208 C THR A 16 3.776 -17.254 -3.610 1.00 2.00 C ATOM 209 O THR A 16 4.115 -16.220 -3.063 1.00 2.02 O ATOM 210 CB THR A 16 5.099 -19.355 -4.029 1.00 2.42 C ATOM 211 OG1 THR A 16 5.495 -20.595 -3.462 1.00 2.70 O ATOM 212 CG2 THR A 16 6.346 -18.516 -4.310 1.00 2.56 C ATOM 0 H THR A 16 3.000 -20.361 -3.408 1.00 2.21 H new ATOM 0 HA THR A 16 4.683 -18.435 -2.096 1.00 2.28 H new ATOM 0 HB THR A 16 4.559 -19.527 -4.960 1.00 2.42 H new ATOM 0 HG1 THR A 16 6.080 -21.070 -4.089 1.00 2.70 H new ATOM 0 HG21 THR A 16 6.993 -19.048 -5.008 1.00 2.56 H new ATOM 0 HG22 THR A 16 6.051 -17.561 -4.744 1.00 2.56 H new ATOM 0 HG23 THR A 16 6.884 -18.341 -3.378 1.00 2.56 H new ATOM 220 N VAL A 17 3.043 -17.245 -4.690 1.00 1.76 N ATOM 221 CA VAL A 17 2.604 -15.948 -5.280 1.00 1.54 C ATOM 222 C VAL A 17 1.652 -15.230 -4.314 1.00 1.38 C ATOM 223 O VAL A 17 1.704 -14.027 -4.188 1.00 1.32 O ATOM 224 CB VAL A 17 1.918 -16.287 -6.614 1.00 1.37 C ATOM 225 CG1 VAL A 17 2.888 -17.054 -7.518 1.00 1.56 C ATOM 226 CG2 VAL A 17 0.670 -17.141 -6.382 1.00 1.26 C ATOM 0 H VAL A 17 2.730 -18.078 -5.189 1.00 1.76 H new ATOM 0 HA VAL A 17 3.442 -15.272 -5.451 1.00 1.54 H new ATOM 0 HB VAL A 17 1.624 -15.352 -7.092 1.00 1.37 H new ATOM 0 HG11 VAL A 17 2.396 -17.291 -8.461 1.00 1.56 H new ATOM 0 HG12 VAL A 17 3.767 -16.440 -7.712 1.00 1.56 H new ATOM 0 HG13 VAL A 17 3.192 -17.977 -7.025 1.00 1.56 H new ATOM 0 HG21 VAL A 17 0.202 -17.368 -7.340 1.00 1.26 H new ATOM 0 HG22 VAL A 17 0.952 -18.070 -5.886 1.00 1.26 H new ATOM 0 HG23 VAL A 17 -0.034 -16.594 -5.755 1.00 1.26 H new ATOM 236 N ILE A 18 0.808 -15.953 -3.607 1.00 1.40 N ATOM 237 CA ILE A 18 -0.111 -15.281 -2.627 1.00 1.32 C ATOM 238 C ILE A 18 0.714 -14.683 -1.490 1.00 1.47 C ATOM 239 O ILE A 18 0.463 -13.584 -1.054 1.00 1.36 O ATOM 240 CB ILE A 18 -1.065 -16.375 -2.125 1.00 1.48 C ATOM 241 CG1 ILE A 18 -2.178 -16.589 -3.156 1.00 1.38 C ATOM 242 CG2 ILE A 18 -1.696 -15.953 -0.793 1.00 1.63 C ATOM 243 CD1 ILE A 18 -3.015 -17.808 -2.763 1.00 1.65 C ATOM 0 H ILE A 18 0.717 -16.967 -3.665 1.00 1.40 H new ATOM 0 HA ILE A 18 -0.677 -14.463 -3.073 1.00 1.32 H new ATOM 0 HB ILE A 18 -0.503 -17.298 -1.983 1.00 1.48 H new ATOM 0 HG12 ILE A 18 -2.811 -15.703 -3.212 1.00 1.38 H new ATOM 0 HG13 ILE A 18 -1.747 -16.735 -4.146 1.00 1.38 H new ATOM 0 HG21 ILE A 18 -2.371 -16.736 -0.446 1.00 1.63 H new ATOM 0 HG22 ILE A 18 -0.912 -15.795 -0.053 1.00 1.63 H new ATOM 0 HG23 ILE A 18 -2.255 -15.028 -0.932 1.00 1.63 H new ATOM 0 HD11 ILE A 18 -3.806 -17.958 -3.498 1.00 1.65 H new ATOM 0 HD12 ILE A 18 -2.378 -18.692 -2.730 1.00 1.65 H new ATOM 0 HD13 ILE A 18 -3.458 -17.644 -1.781 1.00 1.65 H new ATOM 255 N VAL A 19 1.719 -15.373 -1.033 1.00 1.74 N ATOM 256 CA VAL A 19 2.575 -14.797 0.048 1.00 1.93 C ATOM 257 C VAL A 19 3.289 -13.557 -0.506 1.00 1.85 C ATOM 258 O VAL A 19 3.342 -12.522 0.134 1.00 1.82 O ATOM 259 CB VAL A 19 3.572 -15.901 0.427 1.00 2.25 C ATOM 260 CG1 VAL A 19 4.716 -15.308 1.257 1.00 2.49 C ATOM 261 CG2 VAL A 19 2.859 -16.972 1.255 1.00 2.40 C ATOM 0 H VAL A 19 1.986 -16.303 -1.355 1.00 1.74 H new ATOM 0 HA VAL A 19 2.007 -14.486 0.925 1.00 1.93 H new ATOM 0 HB VAL A 19 3.974 -16.344 -0.484 1.00 2.25 H new ATOM 0 HG11 VAL A 19 5.420 -16.097 1.523 1.00 2.49 H new ATOM 0 HG12 VAL A 19 5.230 -14.544 0.674 1.00 2.49 H new ATOM 0 HG13 VAL A 19 4.313 -14.861 2.166 1.00 2.49 H new ATOM 0 HG21 VAL A 19 3.567 -17.756 1.524 1.00 2.40 H new ATOM 0 HG22 VAL A 19 2.455 -16.522 2.162 1.00 2.40 H new ATOM 0 HG23 VAL A 19 2.046 -17.403 0.670 1.00 2.40 H new ATOM 271 N ILE A 20 3.803 -13.645 -1.711 1.00 1.86 N ATOM 272 CA ILE A 20 4.477 -12.458 -2.328 1.00 1.88 C ATOM 273 C ILE A 20 3.446 -11.344 -2.515 1.00 1.62 C ATOM 274 O ILE A 20 3.675 -10.205 -2.157 1.00 1.66 O ATOM 275 CB ILE A 20 5.014 -12.950 -3.681 1.00 1.97 C ATOM 276 CG1 ILE A 20 6.161 -13.935 -3.445 1.00 2.28 C ATOM 277 CG2 ILE A 20 5.535 -11.763 -4.498 1.00 2.06 C ATOM 278 CD1 ILE A 20 6.488 -14.667 -4.750 1.00 2.38 C ATOM 0 H ILE A 20 3.785 -14.484 -2.291 1.00 1.86 H new ATOM 0 HA ILE A 20 5.283 -12.058 -1.713 1.00 1.88 H new ATOM 0 HB ILE A 20 4.208 -13.441 -4.227 1.00 1.97 H new ATOM 0 HG12 ILE A 20 7.042 -13.403 -3.084 1.00 2.28 H new ATOM 0 HG13 ILE A 20 5.884 -14.653 -2.673 1.00 2.28 H new ATOM 0 HG21 ILE A 20 5.914 -12.119 -5.456 1.00 2.06 H new ATOM 0 HG22 ILE A 20 4.724 -11.055 -4.669 1.00 2.06 H new ATOM 0 HG23 ILE A 20 6.338 -11.269 -3.951 1.00 2.06 H new ATOM 0 HD11 ILE A 20 7.305 -15.368 -4.579 1.00 2.38 H new ATOM 0 HD12 ILE A 20 5.608 -15.212 -5.092 1.00 2.38 H new ATOM 0 HD13 ILE A 20 6.784 -13.943 -5.509 1.00 2.38 H new ATOM 290 N LEU A 21 2.302 -11.683 -3.046 1.00 1.38 N ATOM 291 CA LEU A 21 1.222 -10.668 -3.235 1.00 1.15 C ATOM 292 C LEU A 21 0.852 -10.084 -1.868 1.00 1.10 C ATOM 293 O LEU A 21 0.813 -8.881 -1.693 1.00 1.08 O ATOM 294 CB LEU A 21 0.039 -11.429 -3.843 1.00 0.97 C ATOM 295 CG LEU A 21 0.296 -11.684 -5.329 1.00 0.98 C ATOM 296 CD1 LEU A 21 -0.745 -12.672 -5.854 1.00 0.96 C ATOM 297 CD2 LEU A 21 0.180 -10.369 -6.103 1.00 1.09 C ATOM 0 H LEU A 21 2.067 -12.625 -3.359 1.00 1.38 H new ATOM 0 HA LEU A 21 1.524 -9.843 -3.881 1.00 1.15 H new ATOM 0 HB2 LEU A 21 -0.103 -12.375 -3.321 1.00 0.97 H new ATOM 0 HB3 LEU A 21 -0.879 -10.854 -3.717 1.00 0.97 H new ATOM 0 HG LEU A 21 1.297 -12.095 -5.461 1.00 0.98 H new ATOM 0 HD11 LEU A 21 -0.568 -12.859 -6.913 1.00 0.96 H new ATOM 0 HD12 LEU A 21 -0.668 -13.609 -5.303 1.00 0.96 H new ATOM 0 HD13 LEU A 21 -1.743 -12.254 -5.721 1.00 0.96 H new ATOM 0 HD21 LEU A 21 0.363 -10.553 -7.162 1.00 1.09 H new ATOM 0 HD22 LEU A 21 -0.821 -9.958 -5.974 1.00 1.09 H new ATOM 0 HD23 LEU A 21 0.915 -9.658 -5.725 1.00 1.09 H new ATOM 309 N ILE A 22 0.615 -10.931 -0.888 1.00 1.16 N ATOM 310 CA ILE A 22 0.286 -10.422 0.482 1.00 1.18 C ATOM 311 C ILE A 22 1.409 -9.495 0.964 1.00 1.31 C ATOM 312 O ILE A 22 1.160 -8.443 1.520 1.00 1.25 O ATOM 313 CB ILE A 22 0.174 -11.672 1.373 1.00 1.41 C ATOM 314 CG1 ILE A 22 -1.186 -12.337 1.145 1.00 1.39 C ATOM 315 CG2 ILE A 22 0.295 -11.284 2.852 1.00 1.58 C ATOM 316 CD1 ILE A 22 -1.209 -13.706 1.832 1.00 1.68 C ATOM 0 H ILE A 22 0.636 -11.947 -0.980 1.00 1.16 H new ATOM 0 HA ILE A 22 -0.639 -9.846 0.504 1.00 1.18 H new ATOM 0 HB ILE A 22 0.978 -12.361 1.115 1.00 1.41 H new ATOM 0 HG12 ILE A 22 -1.982 -11.706 1.541 1.00 1.39 H new ATOM 0 HG13 ILE A 22 -1.372 -12.451 0.077 1.00 1.39 H new ATOM 0 HG21 ILE A 22 0.214 -12.178 3.470 1.00 1.58 H new ATOM 0 HG22 ILE A 22 1.260 -10.809 3.026 1.00 1.58 H new ATOM 0 HG23 ILE A 22 -0.503 -10.589 3.112 1.00 1.58 H new ATOM 0 HD11 ILE A 22 -2.178 -14.179 1.669 1.00 1.68 H new ATOM 0 HD12 ILE A 22 -0.423 -14.336 1.415 1.00 1.68 H new ATOM 0 HD13 ILE A 22 -1.043 -13.579 2.902 1.00 1.68 H new ATOM 328 N ALA A 23 2.641 -9.871 0.734 1.00 1.54 N ATOM 329 CA ALA A 23 3.784 -9.002 1.157 1.00 1.74 C ATOM 330 C ALA A 23 3.759 -7.691 0.359 1.00 1.66 C ATOM 331 O ALA A 23 3.888 -6.616 0.916 1.00 1.69 O ATOM 332 CB ALA A 23 5.045 -9.813 0.847 1.00 2.06 C ATOM 0 H ALA A 23 2.906 -10.741 0.272 1.00 1.54 H new ATOM 0 HA ALA A 23 3.738 -8.733 2.212 1.00 1.74 H new ATOM 0 HB1 ALA A 23 5.926 -9.238 1.131 1.00 2.06 H new ATOM 0 HB2 ALA A 23 5.024 -10.747 1.409 1.00 2.06 H new ATOM 0 HB3 ALA A 23 5.084 -10.032 -0.220 1.00 2.06 H new ATOM 338 N ILE A 24 3.562 -7.773 -0.937 1.00 1.61 N ATOM 339 CA ILE A 24 3.490 -6.529 -1.768 1.00 1.65 C ATOM 340 C ILE A 24 2.326 -5.671 -1.257 1.00 1.41 C ATOM 341 O ILE A 24 2.465 -4.479 -1.043 1.00 1.50 O ATOM 342 CB ILE A 24 3.235 -7.011 -3.205 1.00 1.67 C ATOM 343 CG1 ILE A 24 4.499 -7.676 -3.758 1.00 1.93 C ATOM 344 CG2 ILE A 24 2.865 -5.824 -4.100 1.00 1.78 C ATOM 345 CD1 ILE A 24 4.145 -8.480 -5.011 1.00 1.96 C ATOM 0 H ILE A 24 3.448 -8.645 -1.453 1.00 1.61 H new ATOM 0 HA ILE A 24 4.396 -5.925 -1.720 1.00 1.65 H new ATOM 0 HB ILE A 24 2.414 -7.728 -3.194 1.00 1.67 H new ATOM 0 HG12 ILE A 24 5.246 -6.919 -3.997 1.00 1.93 H new ATOM 0 HG13 ILE A 24 4.938 -8.330 -3.005 1.00 1.93 H new ATOM 0 HG21 ILE A 24 2.686 -6.176 -5.116 1.00 1.78 H new ATOM 0 HG22 ILE A 24 1.963 -5.347 -3.717 1.00 1.78 H new ATOM 0 HG23 ILE A 24 3.682 -5.103 -4.104 1.00 1.78 H new ATOM 0 HD11 ILE A 24 5.044 -8.954 -5.405 1.00 1.96 H new ATOM 0 HD12 ILE A 24 3.413 -9.246 -4.757 1.00 1.96 H new ATOM 0 HD13 ILE A 24 3.726 -7.813 -5.765 1.00 1.96 H new ATOM 357 N ALA A 25 1.190 -6.290 -1.032 1.00 1.15 N ATOM 358 CA ALA A 25 0.008 -5.547 -0.503 1.00 0.95 C ATOM 359 C ALA A 25 0.337 -4.964 0.872 1.00 0.95 C ATOM 360 O ALA A 25 0.113 -3.799 1.128 1.00 0.94 O ATOM 361 CB ALA A 25 -1.109 -6.593 -0.403 1.00 0.78 C ATOM 0 H ALA A 25 1.033 -7.285 -1.194 1.00 1.15 H new ATOM 0 HA ALA A 25 -0.283 -4.712 -1.141 1.00 0.95 H new ATOM 0 HB1 ALA A 25 -2.015 -6.123 -0.020 1.00 0.78 H new ATOM 0 HB2 ALA A 25 -1.306 -7.010 -1.390 1.00 0.78 H new ATOM 0 HB3 ALA A 25 -0.801 -7.391 0.273 1.00 0.78 H new ATOM 367 N ALA A 26 0.892 -5.762 1.749 1.00 1.05 N ATOM 368 CA ALA A 26 1.266 -5.246 3.105 1.00 1.15 C ATOM 369 C ALA A 26 2.247 -4.079 2.944 1.00 1.34 C ATOM 370 O ALA A 26 2.107 -3.044 3.573 1.00 1.31 O ATOM 371 CB ALA A 26 1.925 -6.426 3.826 1.00 1.43 C ATOM 0 H ALA A 26 1.103 -6.747 1.587 1.00 1.05 H new ATOM 0 HA ALA A 26 0.409 -4.877 3.668 1.00 1.15 H new ATOM 0 HB1 ALA A 26 2.225 -6.119 4.828 1.00 1.43 H new ATOM 0 HB2 ALA A 26 1.216 -7.251 3.896 1.00 1.43 H new ATOM 0 HB3 ALA A 26 2.804 -6.749 3.267 1.00 1.43 H new ATOM 377 N LEU A 27 3.218 -4.227 2.077 1.00 1.57 N ATOM 378 CA LEU A 27 4.184 -3.117 1.838 1.00 1.84 C ATOM 379 C LEU A 27 3.419 -1.903 1.289 1.00 1.75 C ATOM 380 O LEU A 27 3.594 -0.789 1.751 1.00 1.83 O ATOM 381 CB LEU A 27 5.174 -3.670 0.804 1.00 2.11 C ATOM 382 CG LEU A 27 5.976 -2.524 0.184 1.00 2.44 C ATOM 383 CD1 LEU A 27 7.461 -2.877 0.193 1.00 2.85 C ATOM 384 CD2 LEU A 27 5.517 -2.304 -1.259 1.00 2.48 C ATOM 0 H LEU A 27 3.381 -5.069 1.526 1.00 1.57 H new ATOM 0 HA LEU A 27 4.703 -2.791 2.740 1.00 1.84 H new ATOM 0 HB2 LEU A 27 5.849 -4.382 1.279 1.00 2.11 H new ATOM 0 HB3 LEU A 27 4.636 -4.211 0.026 1.00 2.11 H new ATOM 0 HG LEU A 27 5.814 -1.614 0.762 1.00 2.44 H new ATOM 0 HD11 LEU A 27 8.032 -2.060 -0.249 1.00 2.85 H new ATOM 0 HD12 LEU A 27 7.791 -3.036 1.220 1.00 2.85 H new ATOM 0 HD13 LEU A 27 7.622 -3.787 -0.385 1.00 2.85 H new ATOM 0 HD21 LEU A 27 6.088 -1.488 -1.702 1.00 2.48 H new ATOM 0 HD22 LEU A 27 5.679 -3.215 -1.835 1.00 2.48 H new ATOM 0 HD23 LEU A 27 4.456 -2.053 -1.269 1.00 2.48 H new ATOM 396 N GLY A 28 2.552 -2.121 0.322 1.00 1.63 N ATOM 397 CA GLY A 28 1.748 -0.993 -0.245 1.00 1.67 C ATOM 398 C GLY A 28 0.910 -0.370 0.874 1.00 1.44 C ATOM 399 O GLY A 28 0.816 0.836 0.992 1.00 1.56 O ATOM 0 H GLY A 28 2.369 -3.033 -0.097 1.00 1.63 H new ATOM 0 HA2 GLY A 28 2.407 -0.244 -0.684 1.00 1.67 H new ATOM 0 HA3 GLY A 28 1.101 -1.356 -1.044 1.00 1.67 H new ATOM 403 N ALA A 29 0.321 -1.189 1.711 1.00 1.14 N ATOM 404 CA ALA A 29 -0.489 -0.653 2.844 1.00 0.93 C ATOM 405 C ALA A 29 0.418 0.139 3.783 1.00 1.04 C ATOM 406 O ALA A 29 0.088 1.233 4.209 1.00 1.04 O ATOM 407 CB ALA A 29 -1.072 -1.885 3.546 1.00 0.72 C ATOM 0 H ALA A 29 0.368 -2.206 1.657 1.00 1.14 H new ATOM 0 HA ALA A 29 -1.280 0.021 2.516 1.00 0.93 H new ATOM 0 HB1 ALA A 29 -1.681 -1.567 4.392 1.00 0.72 H new ATOM 0 HB2 ALA A 29 -1.690 -2.445 2.844 1.00 0.72 H new ATOM 0 HB3 ALA A 29 -0.260 -2.519 3.901 1.00 0.72 H new ATOM 413 N LEU A 30 1.572 -0.396 4.079 1.00 1.22 N ATOM 414 CA LEU A 30 2.535 0.328 4.959 1.00 1.44 C ATOM 415 C LEU A 30 2.916 1.658 4.295 1.00 1.65 C ATOM 416 O LEU A 30 2.990 2.685 4.940 1.00 1.70 O ATOM 417 CB LEU A 30 3.747 -0.607 5.081 1.00 1.74 C ATOM 418 CG LEU A 30 3.575 -1.510 6.305 1.00 1.75 C ATOM 419 CD1 LEU A 30 4.451 -2.753 6.150 1.00 2.02 C ATOM 420 CD2 LEU A 30 3.997 -0.745 7.561 1.00 1.98 C ATOM 0 H LEU A 30 1.891 -1.307 3.748 1.00 1.22 H new ATOM 0 HA LEU A 30 2.127 0.565 5.941 1.00 1.44 H new ATOM 0 HB2 LEU A 30 3.844 -1.213 4.180 1.00 1.74 H new ATOM 0 HB3 LEU A 30 4.663 -0.023 5.173 1.00 1.74 H new ATOM 0 HG LEU A 30 2.531 -1.811 6.392 1.00 1.75 H new ATOM 0 HD11 LEU A 30 4.328 -3.396 7.022 1.00 2.02 H new ATOM 0 HD12 LEU A 30 4.155 -3.297 5.253 1.00 2.02 H new ATOM 0 HD13 LEU A 30 5.496 -2.454 6.064 1.00 2.02 H new ATOM 0 HD21 LEU A 30 3.876 -1.385 8.435 1.00 1.98 H new ATOM 0 HD22 LEU A 30 5.042 -0.447 7.472 1.00 1.98 H new ATOM 0 HD23 LEU A 30 3.375 0.143 7.673 1.00 1.98 H new ATOM 432 N ILE A 31 3.121 1.649 2.997 1.00 1.81 N ATOM 433 CA ILE A 31 3.462 2.917 2.276 1.00 2.11 C ATOM 434 C ILE A 31 2.246 3.853 2.298 1.00 1.99 C ATOM 435 O ILE A 31 2.355 5.016 2.644 1.00 2.11 O ATOM 436 CB ILE A 31 3.810 2.485 0.844 1.00 2.36 C ATOM 437 CG1 ILE A 31 5.212 1.869 0.832 1.00 2.62 C ATOM 438 CG2 ILE A 31 3.786 3.694 -0.100 1.00 2.65 C ATOM 439 CD1 ILE A 31 5.369 0.984 -0.408 1.00 2.93 C ATOM 0 H ILE A 31 3.067 0.818 2.407 1.00 1.81 H new ATOM 0 HA ILE A 31 4.291 3.458 2.732 1.00 2.11 H new ATOM 0 HB ILE A 31 3.074 1.756 0.506 1.00 2.36 H new ATOM 0 HG12 ILE A 31 5.967 2.656 0.829 1.00 2.62 H new ATOM 0 HG13 ILE A 31 5.370 1.280 1.735 1.00 2.62 H new ATOM 0 HG21 ILE A 31 4.035 3.371 -1.111 1.00 2.65 H new ATOM 0 HG22 ILE A 31 2.791 4.139 -0.096 1.00 2.65 H new ATOM 0 HG23 ILE A 31 4.515 4.432 0.235 1.00 2.65 H new ATOM 0 HD11 ILE A 31 6.367 0.545 -0.418 1.00 2.93 H new ATOM 0 HD12 ILE A 31 4.623 0.190 -0.385 1.00 2.93 H new ATOM 0 HD13 ILE A 31 5.229 1.587 -1.305 1.00 2.93 H new ATOM 451 N LEU A 32 1.085 3.348 1.956 1.00 1.80 N ATOM 452 CA LEU A 32 -0.142 4.202 1.982 1.00 1.79 C ATOM 453 C LEU A 32 -0.327 4.783 3.391 1.00 1.54 C ATOM 454 O LEU A 32 -0.537 5.971 3.561 1.00 1.67 O ATOM 455 CB LEU A 32 -1.305 3.265 1.625 1.00 1.69 C ATOM 456 CG LEU A 32 -1.877 3.652 0.257 1.00 2.26 C ATOM 457 CD1 LEU A 32 -1.177 2.843 -0.836 1.00 2.41 C ATOM 458 CD2 LEU A 32 -3.377 3.346 0.220 1.00 2.56 C ATOM 0 H LEU A 32 0.935 2.383 1.661 1.00 1.80 H new ATOM 0 HA LEU A 32 -0.082 5.039 1.286 1.00 1.79 H new ATOM 0 HB2 LEU A 32 -0.960 2.231 1.607 1.00 1.69 H new ATOM 0 HB3 LEU A 32 -2.083 3.328 2.386 1.00 1.69 H new ATOM 0 HG LEU A 32 -1.716 4.717 0.090 1.00 2.26 H new ATOM 0 HD11 LEU A 32 -1.584 3.118 -1.809 1.00 2.41 H new ATOM 0 HD12 LEU A 32 -0.108 3.054 -0.817 1.00 2.41 H new ATOM 0 HD13 LEU A 32 -1.340 1.779 -0.662 1.00 2.41 H new ATOM 0 HD21 LEU A 32 -3.781 3.622 -0.754 1.00 2.56 H new ATOM 0 HD22 LEU A 32 -3.535 2.281 0.390 1.00 2.56 H new ATOM 0 HD23 LEU A 32 -3.884 3.917 0.998 1.00 2.56 H new ATOM 470 N GLY A 33 -0.237 3.947 4.399 1.00 1.23 N ATOM 471 CA GLY A 33 -0.400 4.420 5.808 1.00 1.03 C ATOM 472 C GLY A 33 0.720 5.395 6.191 1.00 1.27 C ATOM 473 O GLY A 33 0.501 6.330 6.935 1.00 1.26 O ATOM 0 H GLY A 33 -0.056 2.948 4.303 1.00 1.23 H new ATOM 0 HA2 GLY A 33 -1.368 4.909 5.922 1.00 1.03 H new ATOM 0 HA3 GLY A 33 -0.392 3.566 6.486 1.00 1.03 H new ATOM 988 N GLN A 66 1.664 2.016 -18.517 1.00 0.94 N ATOM 989 CA GLN A 66 2.284 3.362 -18.315 1.00 1.00 C ATOM 990 C GLN A 66 3.551 3.202 -17.474 1.00 0.98 C ATOM 991 O GLN A 66 4.620 3.610 -17.873 1.00 0.98 O ATOM 992 CB GLN A 66 1.235 4.209 -17.584 1.00 1.17 C ATOM 993 CG GLN A 66 0.404 4.998 -18.604 1.00 1.36 C ATOM 994 CD GLN A 66 0.939 6.429 -18.735 1.00 1.23 C ATOM 995 OE1 GLN A 66 2.126 6.649 -18.919 1.00 1.76 O ATOM 996 NE2 GLN A 66 0.102 7.424 -18.656 1.00 1.74 N ATOM 0 HA GLN A 66 2.568 3.838 -19.253 1.00 1.00 H new ATOM 0 HB2 GLN A 66 0.585 3.567 -16.990 1.00 1.17 H new ATOM 0 HB3 GLN A 66 1.725 4.894 -16.892 1.00 1.17 H new ATOM 0 HG2 GLN A 66 0.437 4.500 -19.573 1.00 1.36 H new ATOM 0 HG3 GLN A 66 -0.640 5.020 -18.293 1.00 1.36 H new ATOM 0 HE21 GLN A 66 -0.890 7.245 -18.502 1.00 1.74 H new ATOM 0 HE22 GLN A 66 0.439 8.382 -18.748 1.00 1.74 H new ATOM 1005 N TYR A 67 3.446 2.574 -16.334 1.00 1.05 N ATOM 1006 CA TYR A 67 4.661 2.353 -15.485 1.00 1.14 C ATOM 1007 C TYR A 67 5.654 1.465 -16.241 1.00 1.11 C ATOM 1008 O TYR A 67 6.846 1.714 -16.247 1.00 1.13 O ATOM 1009 CB TYR A 67 4.153 1.655 -14.218 1.00 1.39 C ATOM 1010 CG TYR A 67 5.079 1.960 -13.061 1.00 1.76 C ATOM 1011 CD1 TYR A 67 4.873 3.106 -12.284 1.00 2.13 C ATOM 1012 CD2 TYR A 67 6.143 1.098 -12.767 1.00 2.18 C ATOM 1013 CE1 TYR A 67 5.729 3.389 -11.212 1.00 2.68 C ATOM 1014 CE2 TYR A 67 6.998 1.383 -11.694 1.00 2.69 C ATOM 1015 CZ TYR A 67 6.790 2.527 -10.919 1.00 2.86 C ATOM 1016 OH TYR A 67 7.635 2.807 -9.864 1.00 3.48 O ATOM 0 H TYR A 67 2.576 2.204 -15.951 1.00 1.05 H new ATOM 0 HA TYR A 67 5.177 3.281 -15.241 1.00 1.14 H new ATOM 0 HB2 TYR A 67 3.143 1.992 -13.986 1.00 1.39 H new ATOM 0 HB3 TYR A 67 4.101 0.578 -14.380 1.00 1.39 H new ATOM 0 HD1 TYR A 67 4.054 3.772 -12.511 1.00 2.13 H new ATOM 0 HD2 TYR A 67 6.304 0.214 -13.367 1.00 2.18 H new ATOM 0 HE1 TYR A 67 5.569 4.273 -10.612 1.00 2.68 H new ATOM 0 HE2 TYR A 67 7.818 0.718 -11.466 1.00 2.69 H new ATOM 0 HH TYR A 67 8.318 2.107 -9.797 1.00 3.48 H new ATOM 1026 N SER A 68 5.155 0.445 -16.893 1.00 1.14 N ATOM 1027 CA SER A 68 6.042 -0.476 -17.681 1.00 1.30 C ATOM 1028 C SER A 68 6.854 0.310 -18.718 1.00 1.25 C ATOM 1029 O SER A 68 7.986 -0.022 -19.000 1.00 1.40 O ATOM 1030 CB SER A 68 5.102 -1.456 -18.391 1.00 1.43 C ATOM 1031 OG SER A 68 4.382 -2.213 -17.424 1.00 1.61 O ATOM 0 H SER A 68 4.164 0.206 -16.915 1.00 1.14 H new ATOM 0 HA SER A 68 6.753 -0.988 -17.033 1.00 1.30 H new ATOM 0 HB2 SER A 68 4.408 -0.911 -19.031 1.00 1.43 H new ATOM 0 HB3 SER A 68 5.675 -2.122 -19.036 1.00 1.43 H new ATOM 0 HG SER A 68 3.780 -2.838 -17.880 1.00 1.61 H new ATOM 1037 N ALA A 69 6.287 1.344 -19.292 1.00 1.13 N ATOM 1038 CA ALA A 69 7.039 2.144 -20.309 1.00 1.23 C ATOM 1039 C ALA A 69 7.788 3.307 -19.642 1.00 1.18 C ATOM 1040 O ALA A 69 8.918 3.606 -19.982 1.00 1.26 O ATOM 1041 CB ALA A 69 5.969 2.670 -21.270 1.00 1.31 C ATOM 0 H ALA A 69 5.339 1.668 -19.101 1.00 1.13 H new ATOM 0 HA ALA A 69 7.792 1.546 -20.822 1.00 1.23 H new ATOM 0 HB1 ALA A 69 6.442 3.269 -22.048 1.00 1.31 H new ATOM 0 HB2 ALA A 69 5.445 1.830 -21.726 1.00 1.31 H new ATOM 0 HB3 ALA A 69 5.257 3.286 -20.720 1.00 1.31 H new ATOM 1047 N LYS A 70 7.164 3.957 -18.699 1.00 1.14 N ATOM 1048 CA LYS A 70 7.825 5.109 -17.999 1.00 1.19 C ATOM 1049 C LYS A 70 9.049 4.635 -17.212 1.00 1.08 C ATOM 1050 O LYS A 70 10.096 5.253 -17.249 1.00 1.10 O ATOM 1051 CB LYS A 70 6.769 5.675 -17.040 1.00 1.33 C ATOM 1052 CG LYS A 70 5.571 6.215 -17.827 1.00 1.49 C ATOM 1053 CD LYS A 70 5.939 7.537 -18.508 1.00 1.77 C ATOM 1054 CE LYS A 70 5.391 7.539 -19.938 1.00 2.16 C ATOM 1055 NZ LYS A 70 4.082 8.256 -19.856 1.00 2.88 N ATOM 0 H LYS A 70 6.220 3.743 -18.377 1.00 1.14 H new ATOM 0 HA LYS A 70 8.173 5.858 -18.711 1.00 1.19 H new ATOM 0 HB2 LYS A 70 6.439 4.897 -16.351 1.00 1.33 H new ATOM 0 HB3 LYS A 70 7.205 6.471 -16.437 1.00 1.33 H new ATOM 0 HG2 LYS A 70 5.260 5.486 -18.575 1.00 1.49 H new ATOM 0 HG3 LYS A 70 4.724 6.366 -17.157 1.00 1.49 H new ATOM 0 HD2 LYS A 70 5.526 8.376 -17.947 1.00 1.77 H new ATOM 0 HD3 LYS A 70 7.022 7.664 -18.521 1.00 1.77 H new ATOM 0 HE2 LYS A 70 6.074 8.044 -20.621 1.00 2.16 H new ATOM 0 HE3 LYS A 70 5.261 6.523 -20.311 1.00 2.16 H new ATOM 0 HZ1 LYS A 70 3.713 8.415 -20.815 1.00 2.88 H new ATOM 0 HZ2 LYS A 70 3.405 7.681 -19.315 1.00 2.88 H new ATOM 0 HZ3 LYS A 70 4.217 9.171 -19.380 1.00 2.88 H new ATOM 1069 N GLY A 71 8.913 3.547 -16.500 1.00 1.04 N ATOM 1070 CA GLY A 71 10.054 3.002 -15.689 1.00 1.03 C ATOM 1071 C GLY A 71 11.341 2.980 -16.522 1.00 1.00 C ATOM 1072 O GLY A 71 12.292 3.671 -16.202 1.00 0.98 O ATOM 0 H GLY A 71 8.052 3.003 -16.442 1.00 1.04 H new ATOM 0 HA2 GLY A 71 10.200 3.614 -14.799 1.00 1.03 H new ATOM 0 HA3 GLY A 71 9.817 1.994 -15.348 1.00 1.03 H new ATOM 1076 N PRO A 72 11.331 2.195 -17.576 1.00 1.09 N ATOM 1077 CA PRO A 72 12.519 2.100 -18.464 1.00 1.20 C ATOM 1078 C PRO A 72 12.771 3.437 -19.176 1.00 1.22 C ATOM 1079 O PRO A 72 13.905 3.847 -19.335 1.00 1.27 O ATOM 1080 CB PRO A 72 12.147 0.992 -19.448 1.00 1.39 C ATOM 1081 CG PRO A 72 10.654 0.969 -19.442 1.00 1.34 C ATOM 1082 CD PRO A 72 10.234 1.339 -18.045 1.00 1.18 C ATOM 0 HA PRO A 72 13.442 1.880 -17.928 1.00 1.20 H new ATOM 0 HB2 PRO A 72 12.536 1.200 -20.445 1.00 1.39 H new ATOM 0 HB3 PRO A 72 12.560 0.032 -19.138 1.00 1.39 H new ATOM 0 HG2 PRO A 72 10.251 1.674 -20.169 1.00 1.34 H new ATOM 0 HG3 PRO A 72 10.279 -0.018 -19.713 1.00 1.34 H new ATOM 0 HD2 PRO A 72 9.281 1.868 -18.039 1.00 1.18 H new ATOM 0 HD3 PRO A 72 10.114 0.458 -17.415 1.00 1.18 H new ATOM 1090 N CYS A 73 11.735 4.135 -19.584 1.00 1.24 N ATOM 1091 CA CYS A 73 11.952 5.455 -20.258 1.00 1.39 C ATOM 1092 C CYS A 73 12.676 6.407 -19.298 1.00 1.32 C ATOM 1093 O CYS A 73 13.615 7.090 -19.668 1.00 1.41 O ATOM 1094 CB CYS A 73 10.554 5.978 -20.608 1.00 1.47 C ATOM 1095 SG CYS A 73 10.700 7.318 -21.819 1.00 1.54 S ATOM 0 H CYS A 73 10.761 3.851 -19.481 1.00 1.24 H new ATOM 0 HA CYS A 73 12.569 5.370 -21.153 1.00 1.39 H new ATOM 0 HB2 CYS A 73 9.943 5.172 -21.013 1.00 1.47 H new ATOM 0 HB3 CYS A 73 10.053 6.338 -19.710 1.00 1.47 H new ATOM 0 HG CYS A 73 9.516 7.762 -22.119 1.00 1.54 H new ATOM 1101 N VAL A 74 12.264 6.428 -18.060 1.00 1.20 N ATOM 1102 CA VAL A 74 12.936 7.309 -17.055 1.00 1.20 C ATOM 1103 C VAL A 74 14.290 6.709 -16.680 1.00 1.09 C ATOM 1104 O VAL A 74 15.288 7.406 -16.601 1.00 1.18 O ATOM 1105 CB VAL A 74 11.991 7.359 -15.849 1.00 1.20 C ATOM 1106 CG1 VAL A 74 12.692 8.035 -14.665 1.00 1.29 C ATOM 1107 CG2 VAL A 74 10.740 8.164 -16.215 1.00 1.40 C ATOM 0 H VAL A 74 11.489 5.873 -17.697 1.00 1.20 H new ATOM 0 HA VAL A 74 13.126 8.312 -17.436 1.00 1.20 H new ATOM 0 HB VAL A 74 11.711 6.342 -15.573 1.00 1.20 H new ATOM 0 HG11 VAL A 74 12.015 8.067 -13.811 1.00 1.29 H new ATOM 0 HG12 VAL A 74 13.585 7.469 -14.399 1.00 1.29 H new ATOM 0 HG13 VAL A 74 12.976 9.050 -14.942 1.00 1.29 H new ATOM 0 HG21 VAL A 74 10.067 8.200 -15.358 1.00 1.40 H new ATOM 0 HG22 VAL A 74 11.028 9.178 -16.493 1.00 1.40 H new ATOM 0 HG23 VAL A 74 10.233 7.688 -17.054 1.00 1.40 H new ATOM 1117 N GLU A 75 14.337 5.416 -16.479 1.00 0.98 N ATOM 1118 CA GLU A 75 15.635 4.755 -16.146 1.00 0.96 C ATOM 1119 C GLU A 75 16.646 5.080 -17.244 1.00 1.08 C ATOM 1120 O GLU A 75 17.775 5.441 -16.981 1.00 1.10 O ATOM 1121 CB GLU A 75 15.336 3.251 -16.108 1.00 1.02 C ATOM 1122 CG GLU A 75 16.490 2.507 -15.416 1.00 1.10 C ATOM 1123 CD GLU A 75 17.357 1.776 -16.450 1.00 1.27 C ATOM 1124 OE1 GLU A 75 16.808 1.213 -17.386 1.00 1.50 O ATOM 1125 OE2 GLU A 75 18.566 1.785 -16.287 1.00 1.32 O ATOM 0 H GLU A 75 13.533 4.790 -16.531 1.00 0.98 H new ATOM 0 HA GLU A 75 16.051 5.092 -15.197 1.00 0.96 H new ATOM 0 HB2 GLU A 75 14.403 3.070 -15.574 1.00 1.02 H new ATOM 0 HB3 GLU A 75 15.203 2.872 -17.121 1.00 1.02 H new ATOM 0 HG2 GLU A 75 17.101 3.214 -14.855 1.00 1.10 H new ATOM 0 HG3 GLU A 75 16.090 1.792 -14.698 1.00 1.10 H new ATOM 1132 N ARG A 76 16.223 4.984 -18.474 1.00 1.22 N ATOM 1133 CA ARG A 76 17.128 5.307 -19.615 1.00 1.45 C ATOM 1134 C ARG A 76 17.460 6.803 -19.607 1.00 1.51 C ATOM 1135 O ARG A 76 18.592 7.194 -19.822 1.00 1.60 O ATOM 1136 CB ARG A 76 16.346 4.923 -20.874 1.00 1.65 C ATOM 1137 CG ARG A 76 16.796 3.539 -21.347 1.00 1.81 C ATOM 1138 CD ARG A 76 16.403 2.484 -20.308 1.00 1.66 C ATOM 1139 NE ARG A 76 17.097 1.237 -20.745 1.00 1.88 N ATOM 1140 CZ ARG A 76 18.335 1.028 -20.420 1.00 1.96 C ATOM 1141 NH1 ARG A 76 18.652 0.788 -19.189 1.00 1.86 N ATOM 1142 NH2 ARG A 76 19.256 1.067 -21.325 1.00 2.23 N ATOM 0 H ARG A 76 15.282 4.694 -18.740 1.00 1.22 H new ATOM 0 HA ARG A 76 18.076 4.772 -19.560 1.00 1.45 H new ATOM 0 HB2 ARG A 76 15.276 4.918 -20.664 1.00 1.65 H new ATOM 0 HB3 ARG A 76 16.514 5.660 -21.659 1.00 1.65 H new ATOM 0 HG2 ARG A 76 16.337 3.306 -22.308 1.00 1.81 H new ATOM 0 HG3 ARG A 76 17.875 3.529 -21.499 1.00 1.81 H new ATOM 0 HD2 ARG A 76 16.716 2.780 -19.307 1.00 1.66 H new ATOM 0 HD3 ARG A 76 15.322 2.344 -20.276 1.00 1.66 H new ATOM 0 HE ARG A 76 16.595 0.546 -21.302 1.00 1.88 H new ATOM 0 HH11 ARG A 76 17.928 0.763 -18.471 1.00 1.86 H new ATOM 0 HH12 ARG A 76 19.626 0.624 -18.936 1.00 1.86 H new ATOM 0 HH21 ARG A 76 19.010 1.262 -22.295 1.00 2.23 H new ATOM 0 HH22 ARG A 76 20.230 0.903 -21.069 1.00 2.23 H new ATOM 1156 N LYS A 77 16.485 7.641 -19.343 1.00 1.51 N ATOM 1157 CA LYS A 77 16.753 9.112 -19.302 1.00 1.66 C ATOM 1158 C LYS A 77 17.807 9.426 -18.233 1.00 1.55 C ATOM 1159 O LYS A 77 18.783 10.107 -18.487 1.00 1.66 O ATOM 1160 CB LYS A 77 15.410 9.759 -18.940 1.00 1.71 C ATOM 1161 CG LYS A 77 14.550 9.913 -20.200 1.00 1.95 C ATOM 1162 CD LYS A 77 14.264 11.397 -20.445 1.00 2.24 C ATOM 1163 CE LYS A 77 14.446 11.715 -21.931 1.00 2.94 C ATOM 1164 NZ LYS A 77 14.740 13.179 -21.982 1.00 3.32 N ATOM 0 H LYS A 77 15.520 7.370 -19.155 1.00 1.51 H new ATOM 0 HA LYS A 77 17.138 9.486 -20.251 1.00 1.66 H new ATOM 0 HB2 LYS A 77 14.888 9.147 -18.205 1.00 1.71 H new ATOM 0 HB3 LYS A 77 15.577 10.734 -18.482 1.00 1.71 H new ATOM 0 HG2 LYS A 77 15.065 9.484 -21.060 1.00 1.95 H new ATOM 0 HG3 LYS A 77 13.615 9.366 -20.084 1.00 1.95 H new ATOM 0 HD2 LYS A 77 13.248 11.639 -20.133 1.00 2.24 H new ATOM 0 HD3 LYS A 77 14.936 12.011 -19.846 1.00 2.24 H new ATOM 0 HE2 LYS A 77 15.261 11.134 -22.362 1.00 2.94 H new ATOM 0 HE3 LYS A 77 13.548 11.473 -22.499 1.00 2.94 H new ATOM 0 HZ1 LYS A 77 14.877 13.471 -22.971 1.00 3.32 H new ATOM 0 HZ2 LYS A 77 13.944 13.707 -21.572 1.00 3.32 H new ATOM 0 HZ3 LYS A 77 15.604 13.379 -21.439 1.00 3.32 H new ATOM 1178 N ALA A 78 17.614 8.923 -17.043 1.00 1.37 N ATOM 1179 CA ALA A 78 18.596 9.177 -15.940 1.00 1.30 C ATOM 1180 C ALA A 78 19.955 8.549 -16.271 1.00 1.28 C ATOM 1181 O ALA A 78 20.998 9.162 -16.089 1.00 1.36 O ATOM 1182 CB ALA A 78 17.980 8.529 -14.696 1.00 1.16 C ATOM 0 H ALA A 78 16.816 8.344 -16.783 1.00 1.37 H new ATOM 0 HA ALA A 78 18.778 10.241 -15.791 1.00 1.30 H new ATOM 0 HB1 ALA A 78 18.644 8.674 -13.844 1.00 1.16 H new ATOM 0 HB2 ALA A 78 17.015 8.989 -14.486 1.00 1.16 H new ATOM 0 HB3 ALA A 78 17.843 7.462 -14.872 1.00 1.16 H new ATOM 1188 N LYS A 79 19.951 7.339 -16.762 1.00 1.23 N ATOM 1189 CA LYS A 79 21.239 6.663 -17.121 1.00 1.32 C ATOM 1190 C LYS A 79 21.908 7.389 -18.301 1.00 1.56 C ATOM 1191 O LYS A 79 23.118 7.454 -18.388 1.00 1.66 O ATOM 1192 CB LYS A 79 20.862 5.229 -17.522 1.00 1.37 C ATOM 1193 CG LYS A 79 20.258 4.480 -16.324 1.00 1.20 C ATOM 1194 CD LYS A 79 21.307 3.563 -15.679 1.00 1.25 C ATOM 1195 CE LYS A 79 21.776 2.505 -16.685 1.00 1.45 C ATOM 1196 NZ LYS A 79 20.966 1.288 -16.382 1.00 1.49 N ATOM 0 H LYS A 79 19.111 6.785 -16.932 1.00 1.23 H new ATOM 0 HA LYS A 79 21.945 6.674 -16.291 1.00 1.32 H new ATOM 0 HB2 LYS A 79 20.147 5.250 -18.344 1.00 1.37 H new ATOM 0 HB3 LYS A 79 21.745 4.701 -17.882 1.00 1.37 H new ATOM 0 HG2 LYS A 79 19.890 5.195 -15.588 1.00 1.20 H new ATOM 0 HG3 LYS A 79 19.402 3.890 -16.651 1.00 1.20 H new ATOM 0 HD2 LYS A 79 22.157 4.154 -15.339 1.00 1.25 H new ATOM 0 HD3 LYS A 79 20.884 3.077 -14.800 1.00 1.25 H new ATOM 0 HE2 LYS A 79 21.616 2.839 -17.710 1.00 1.45 H new ATOM 0 HE3 LYS A 79 22.842 2.305 -16.577 1.00 1.45 H new ATOM 0 HZ1 LYS A 79 21.325 0.485 -16.937 1.00 1.49 H new ATOM 0 HZ2 LYS A 79 21.037 1.067 -15.368 1.00 1.49 H new ATOM 0 HZ3 LYS A 79 19.971 1.463 -16.629 1.00 1.49 H new ATOM 1210 N LEU A 80 21.129 7.932 -19.212 1.00 1.69 N ATOM 1211 CA LEU A 80 21.721 8.648 -20.384 1.00 1.98 C ATOM 1212 C LEU A 80 22.238 10.040 -19.980 1.00 2.00 C ATOM 1213 O LEU A 80 23.226 10.518 -20.505 1.00 2.18 O ATOM 1214 CB LEU A 80 20.583 8.764 -21.404 1.00 2.17 C ATOM 1215 CG LEU A 80 21.096 9.482 -22.657 1.00 2.52 C ATOM 1216 CD1 LEU A 80 21.105 8.517 -23.842 1.00 2.80 C ATOM 1217 CD2 LEU A 80 20.189 10.669 -22.981 1.00 2.76 C ATOM 0 H LEU A 80 20.109 7.908 -19.191 1.00 1.69 H new ATOM 0 HA LEU A 80 22.579 8.112 -20.791 1.00 1.98 H new ATOM 0 HB2 LEU A 80 20.211 7.773 -21.665 1.00 2.17 H new ATOM 0 HB3 LEU A 80 19.747 9.314 -20.972 1.00 2.17 H new ATOM 0 HG LEU A 80 22.109 9.837 -22.470 1.00 2.52 H new ATOM 0 HD11 LEU A 80 21.471 9.034 -24.729 1.00 2.80 H new ATOM 0 HD12 LEU A 80 21.758 7.673 -23.619 1.00 2.80 H new ATOM 0 HD13 LEU A 80 20.093 8.155 -24.024 1.00 2.80 H new ATOM 0 HD21 LEU A 80 20.558 11.176 -23.873 1.00 2.76 H new ATOM 0 HD22 LEU A 80 19.174 10.313 -23.160 1.00 2.76 H new ATOM 0 HD23 LEU A 80 20.187 11.365 -22.142 1.00 2.76 H new