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= 1.1 K(o=1.5,f=-19!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ -174:sc= 0.441! (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+ -144:sc= 0.904 (180deg=0.688) USER MOD ----------------------------------------------------------------- ATOM 174 N VAL A 14 0.963 -21.437 -6.149 1.00 1.51 N ATOM 175 CA VAL A 14 -0.196 -20.612 -5.685 1.00 1.62 C ATOM 176 C VAL A 14 0.116 -20.020 -4.301 1.00 1.42 C ATOM 177 O VAL A 14 -0.194 -18.878 -4.020 1.00 1.44 O ATOM 178 CB VAL A 14 -1.378 -21.590 -5.613 1.00 1.84 C ATOM 179 CG1 VAL A 14 -2.578 -20.917 -4.939 1.00 2.00 C ATOM 180 CG2 VAL A 14 -1.776 -22.018 -7.029 1.00 2.09 C ATOM 0 HA VAL A 14 -0.413 -19.775 -6.349 1.00 1.62 H new ATOM 0 HB VAL A 14 -1.079 -22.462 -5.031 1.00 1.84 H new ATOM 0 HG11 VAL A 14 -3.411 -21.619 -4.893 1.00 2.00 H new ATOM 0 HG12 VAL A 14 -2.304 -20.612 -3.929 1.00 2.00 H new ATOM 0 HG13 VAL A 14 -2.874 -20.040 -5.515 1.00 2.00 H new ATOM 0 HG21 VAL A 14 -2.615 -22.712 -6.977 1.00 2.09 H new ATOM 0 HG22 VAL A 14 -2.066 -21.140 -7.606 1.00 2.09 H new ATOM 0 HG23 VAL A 14 -0.930 -22.507 -7.513 1.00 2.09 H new ATOM 190 N VAL A 15 0.751 -20.784 -3.445 1.00 1.26 N ATOM 191 CA VAL A 15 1.104 -20.259 -2.088 1.00 1.14 C ATOM 192 C VAL A 15 2.220 -19.221 -2.211 1.00 0.97 C ATOM 193 O VAL A 15 2.195 -18.189 -1.570 1.00 0.99 O ATOM 194 CB VAL A 15 1.566 -21.480 -1.279 1.00 1.10 C ATOM 195 CG1 VAL A 15 2.240 -21.020 0.018 1.00 1.11 C ATOM 196 CG2 VAL A 15 0.355 -22.350 -0.932 1.00 1.35 C ATOM 0 H VAL A 15 1.039 -21.745 -3.626 1.00 1.26 H new ATOM 0 HA VAL A 15 0.263 -19.765 -1.601 1.00 1.14 H new ATOM 0 HB VAL A 15 2.276 -22.054 -1.874 1.00 1.10 H new ATOM 0 HG11 VAL A 15 2.565 -21.891 0.587 1.00 1.11 H new ATOM 0 HG12 VAL A 15 3.103 -20.399 -0.221 1.00 1.11 H new ATOM 0 HG13 VAL A 15 1.531 -20.443 0.611 1.00 1.11 H new ATOM 0 HG21 VAL A 15 0.682 -23.217 -0.358 1.00 1.35 H new ATOM 0 HG22 VAL A 15 -0.353 -21.769 -0.341 1.00 1.35 H new ATOM 0 HG23 VAL A 15 -0.128 -22.684 -1.850 1.00 1.35 H new ATOM 206 N THR A 16 3.188 -19.483 -3.043 1.00 0.88 N ATOM 207 CA THR A 16 4.305 -18.506 -3.227 1.00 0.82 C ATOM 208 C THR A 16 3.752 -17.170 -3.722 1.00 0.90 C ATOM 209 O THR A 16 4.100 -16.119 -3.217 1.00 0.86 O ATOM 210 CB THR A 16 5.238 -19.132 -4.272 1.00 0.93 C ATOM 211 OG1 THR A 16 5.823 -20.308 -3.732 1.00 0.90 O ATOM 212 CG2 THR A 16 6.347 -18.143 -4.636 1.00 1.06 C ATOM 0 H THR A 16 3.257 -20.331 -3.606 1.00 0.88 H new ATOM 0 HA THR A 16 4.834 -18.308 -2.295 1.00 0.82 H new ATOM 0 HB THR A 16 4.664 -19.378 -5.166 1.00 0.93 H new ATOM 0 HG1 THR A 16 6.419 -20.712 -4.397 1.00 0.90 H new ATOM 0 HG21 THR A 16 7.006 -18.593 -5.378 1.00 1.06 H new ATOM 0 HG22 THR A 16 5.905 -17.235 -5.046 1.00 1.06 H new ATOM 0 HG23 THR A 16 6.921 -17.895 -3.743 1.00 1.06 H new ATOM 220 N VAL A 17 2.890 -17.202 -4.704 1.00 1.08 N ATOM 221 CA VAL A 17 2.317 -15.933 -5.230 1.00 1.23 C ATOM 222 C VAL A 17 1.381 -15.277 -4.206 1.00 1.22 C ATOM 223 O VAL A 17 1.442 -14.083 -4.018 1.00 1.21 O ATOM 224 CB VAL A 17 1.575 -16.276 -6.527 1.00 1.49 C ATOM 225 CG1 VAL A 17 2.562 -16.829 -7.557 1.00 1.59 C ATOM 226 CG2 VAL A 17 0.476 -17.312 -6.278 1.00 1.60 C ATOM 0 H VAL A 17 2.560 -18.051 -5.162 1.00 1.08 H new ATOM 0 HA VAL A 17 3.108 -15.209 -5.425 1.00 1.23 H new ATOM 0 HB VAL A 17 1.114 -15.363 -6.903 1.00 1.49 H new ATOM 0 HG11 VAL A 17 2.030 -17.071 -8.477 1.00 1.59 H new ATOM 0 HG12 VAL A 17 3.327 -16.081 -7.766 1.00 1.59 H new ATOM 0 HG13 VAL A 17 3.033 -17.729 -7.163 1.00 1.59 H new ATOM 0 HG21 VAL A 17 -0.033 -17.535 -7.216 1.00 1.60 H new ATOM 0 HG22 VAL A 17 0.920 -18.224 -5.880 1.00 1.60 H new ATOM 0 HG23 VAL A 17 -0.243 -16.915 -5.561 1.00 1.60 H new ATOM 236 N ILE A 18 0.526 -16.013 -3.522 1.00 1.29 N ATOM 237 CA ILE A 18 -0.353 -15.331 -2.520 1.00 1.39 C ATOM 238 C ILE A 18 0.503 -14.764 -1.389 1.00 1.22 C ATOM 239 O ILE A 18 0.186 -13.733 -0.833 1.00 1.29 O ATOM 240 CB ILE A 18 -1.355 -16.378 -2.008 1.00 1.57 C ATOM 241 CG1 ILE A 18 -0.632 -17.532 -1.306 1.00 1.44 C ATOM 242 CG2 ILE A 18 -2.178 -16.931 -3.175 1.00 1.77 C ATOM 243 CD1 ILE A 18 -1.602 -18.236 -0.354 1.00 1.79 C ATOM 0 H ILE A 18 0.404 -17.022 -3.612 1.00 1.29 H new ATOM 0 HA ILE A 18 -0.894 -14.495 -2.962 1.00 1.39 H new ATOM 0 HB ILE A 18 -2.015 -15.890 -1.291 1.00 1.57 H new ATOM 0 HG12 ILE A 18 -0.251 -18.239 -2.043 1.00 1.44 H new ATOM 0 HG13 ILE A 18 0.228 -17.154 -0.753 1.00 1.44 H new ATOM 0 HG21 ILE A 18 -2.885 -17.672 -2.803 1.00 1.77 H new ATOM 0 HG22 ILE A 18 -2.723 -16.117 -3.653 1.00 1.77 H new ATOM 0 HG23 ILE A 18 -1.512 -17.398 -3.901 1.00 1.77 H new ATOM 0 HD11 ILE A 18 -1.089 -19.057 0.146 1.00 1.79 H new ATOM 0 HD12 ILE A 18 -1.961 -17.525 0.390 1.00 1.79 H new ATOM 0 HD13 ILE A 18 -2.448 -18.627 -0.920 1.00 1.79 H new ATOM 255 N VAL A 19 1.599 -15.403 -1.070 1.00 1.05 N ATOM 256 CA VAL A 19 2.487 -14.866 0.005 1.00 1.00 C ATOM 257 C VAL A 19 3.169 -13.586 -0.492 1.00 0.90 C ATOM 258 O VAL A 19 3.143 -12.571 0.178 1.00 0.97 O ATOM 259 CB VAL A 19 3.507 -15.977 0.304 1.00 0.95 C ATOM 260 CG1 VAL A 19 4.708 -15.404 1.067 1.00 1.07 C ATOM 261 CG2 VAL A 19 2.847 -17.056 1.165 1.00 1.14 C ATOM 0 H VAL A 19 1.917 -16.269 -1.505 1.00 1.05 H new ATOM 0 HA VAL A 19 1.939 -14.603 0.910 1.00 1.00 H new ATOM 0 HB VAL A 19 3.847 -16.403 -0.640 1.00 0.95 H new ATOM 0 HG11 VAL A 19 5.423 -16.201 1.272 1.00 1.07 H new ATOM 0 HG12 VAL A 19 5.188 -14.633 0.464 1.00 1.07 H new ATOM 0 HG13 VAL A 19 4.368 -14.970 2.007 1.00 1.07 H new ATOM 0 HG21 VAL A 19 3.569 -17.844 1.378 1.00 1.14 H new ATOM 0 HG22 VAL A 19 2.505 -16.615 2.101 1.00 1.14 H new ATOM 0 HG23 VAL A 19 1.996 -17.478 0.630 1.00 1.14 H new ATOM 271 N ILE A 20 3.750 -13.596 -1.668 1.00 0.82 N ATOM 272 CA ILE A 20 4.376 -12.341 -2.165 1.00 0.83 C ATOM 273 C ILE A 20 3.272 -11.319 -2.457 1.00 0.90 C ATOM 274 O ILE A 20 3.456 -10.131 -2.284 1.00 0.91 O ATOM 275 CB ILE A 20 5.182 -12.708 -3.424 1.00 0.91 C ATOM 276 CG1 ILE A 20 4.282 -13.320 -4.499 1.00 1.02 C ATOM 277 CG2 ILE A 20 6.279 -13.713 -3.062 1.00 0.96 C ATOM 278 CD1 ILE A 20 4.685 -12.774 -5.870 1.00 1.43 C ATOM 0 H ILE A 20 3.815 -14.402 -2.290 1.00 0.82 H new ATOM 0 HA ILE A 20 5.046 -11.891 -1.433 1.00 0.83 H new ATOM 0 HB ILE A 20 5.624 -11.793 -3.817 1.00 0.91 H new ATOM 0 HG12 ILE A 20 4.370 -14.406 -4.488 1.00 1.02 H new ATOM 0 HG13 ILE A 20 3.238 -13.083 -4.293 1.00 1.02 H new ATOM 0 HG21 ILE A 20 6.847 -13.970 -3.956 1.00 0.96 H new ATOM 0 HG22 ILE A 20 6.947 -13.272 -2.322 1.00 0.96 H new ATOM 0 HG23 ILE A 20 5.825 -14.614 -2.649 1.00 0.96 H new ATOM 0 HD11 ILE A 20 4.045 -13.209 -6.637 1.00 1.43 H new ATOM 0 HD12 ILE A 20 4.574 -11.690 -5.877 1.00 1.43 H new ATOM 0 HD13 ILE A 20 5.724 -13.034 -6.074 1.00 1.43 H new ATOM 290 N LEU A 21 2.108 -11.779 -2.855 1.00 1.03 N ATOM 291 CA LEU A 21 0.979 -10.836 -3.109 1.00 1.20 C ATOM 292 C LEU A 21 0.548 -10.196 -1.785 1.00 1.20 C ATOM 293 O LEU A 21 0.488 -8.983 -1.676 1.00 1.22 O ATOM 294 CB LEU A 21 -0.153 -11.682 -3.702 1.00 1.41 C ATOM 295 CG LEU A 21 -0.044 -11.697 -5.229 1.00 1.56 C ATOM 296 CD1 LEU A 21 -0.941 -12.797 -5.794 1.00 1.78 C ATOM 297 CD2 LEU A 21 -0.493 -10.344 -5.787 1.00 1.72 C ATOM 0 H LEU A 21 1.895 -12.764 -3.013 1.00 1.03 H new ATOM 0 HA LEU A 21 1.256 -10.031 -3.789 1.00 1.20 H new ATOM 0 HB2 LEU A 21 -0.100 -12.699 -3.315 1.00 1.41 H new ATOM 0 HB3 LEU A 21 -1.119 -11.276 -3.401 1.00 1.41 H new ATOM 0 HG LEU A 21 0.991 -11.886 -5.515 1.00 1.56 H new ATOM 0 HD11 LEU A 21 -0.863 -12.807 -6.881 1.00 1.78 H new ATOM 0 HD12 LEU A 21 -0.626 -13.763 -5.398 1.00 1.78 H new ATOM 0 HD13 LEU A 21 -1.975 -12.607 -5.506 1.00 1.78 H new ATOM 0 HD21 LEU A 21 -0.415 -10.355 -6.874 1.00 1.72 H new ATOM 0 HD22 LEU A 21 -1.527 -10.157 -5.499 1.00 1.72 H new ATOM 0 HD23 LEU A 21 0.144 -9.556 -5.386 1.00 1.72 H new ATOM 309 N ILE A 22 0.268 -10.986 -0.761 1.00 1.25 N ATOM 310 CA ILE A 22 -0.129 -10.366 0.542 1.00 1.37 C ATOM 311 C ILE A 22 0.999 -9.462 1.035 1.00 1.24 C ATOM 312 O ILE A 22 0.771 -8.358 1.491 1.00 1.31 O ATOM 313 CB ILE A 22 -0.394 -11.512 1.529 1.00 1.51 C ATOM 314 CG1 ILE A 22 0.841 -12.408 1.698 1.00 1.37 C ATOM 315 CG2 ILE A 22 -1.571 -12.354 1.037 1.00 1.69 C ATOM 316 CD1 ILE A 22 0.539 -13.515 2.715 1.00 1.62 C ATOM 0 H ILE A 22 0.298 -12.005 -0.776 1.00 1.25 H new ATOM 0 HA ILE A 22 -1.025 -9.753 0.440 1.00 1.37 H new ATOM 0 HB ILE A 22 -0.629 -11.072 2.498 1.00 1.51 H new ATOM 0 HG12 ILE A 22 1.118 -12.847 0.739 1.00 1.37 H new ATOM 0 HG13 ILE A 22 1.691 -11.814 2.034 1.00 1.37 H new ATOM 0 HG21 ILE A 22 -1.756 -13.166 1.740 1.00 1.69 H new ATOM 0 HG22 ILE A 22 -2.460 -11.728 0.963 1.00 1.69 H new ATOM 0 HG23 ILE A 22 -1.337 -12.769 0.057 1.00 1.69 H new ATOM 0 HD11 ILE A 22 1.417 -14.150 2.833 1.00 1.62 H new ATOM 0 HD12 ILE A 22 0.283 -13.067 3.675 1.00 1.62 H new ATOM 0 HD13 ILE A 22 -0.298 -14.116 2.360 1.00 1.62 H new ATOM 328 N ALA A 23 2.213 -9.918 0.914 1.00 1.10 N ATOM 329 CA ALA A 23 3.378 -9.085 1.344 1.00 1.06 C ATOM 330 C ALA A 23 3.416 -7.785 0.525 1.00 0.97 C ATOM 331 O ALA A 23 3.556 -6.708 1.073 1.00 1.01 O ATOM 332 CB ALA A 23 4.617 -9.944 1.070 1.00 1.02 C ATOM 0 H ALA A 23 2.453 -10.834 0.535 1.00 1.10 H new ATOM 0 HA ALA A 23 3.321 -8.799 2.394 1.00 1.06 H new ATOM 0 HB1 ALA A 23 5.512 -9.395 1.362 1.00 1.02 H new ATOM 0 HB2 ALA A 23 4.554 -10.868 1.645 1.00 1.02 H new ATOM 0 HB3 ALA A 23 4.668 -10.181 0.007 1.00 1.02 H new ATOM 338 N ILE A 24 3.266 -7.873 -0.779 1.00 0.91 N ATOM 339 CA ILE A 24 3.268 -6.631 -1.617 1.00 0.93 C ATOM 340 C ILE A 24 2.111 -5.727 -1.171 1.00 1.00 C ATOM 341 O ILE A 24 2.281 -4.537 -0.977 1.00 1.00 O ATOM 342 CB ILE A 24 3.073 -7.114 -3.064 1.00 1.03 C ATOM 343 CG1 ILE A 24 4.420 -7.576 -3.637 1.00 1.07 C ATOM 344 CG2 ILE A 24 2.521 -5.977 -3.931 1.00 1.18 C ATOM 345 CD1 ILE A 24 5.408 -6.403 -3.671 1.00 1.17 C ATOM 0 H ILE A 24 3.143 -8.745 -1.294 1.00 0.91 H new ATOM 0 HA ILE A 24 4.188 -6.054 -1.522 1.00 0.93 H new ATOM 0 HB ILE A 24 2.365 -7.943 -3.066 1.00 1.03 H new ATOM 0 HG12 ILE A 24 4.825 -8.385 -3.029 1.00 1.07 H new ATOM 0 HG13 ILE A 24 4.280 -7.973 -4.642 1.00 1.07 H new ATOM 0 HG21 ILE A 24 2.387 -6.331 -4.953 1.00 1.18 H new ATOM 0 HG22 ILE A 24 1.561 -5.648 -3.532 1.00 1.18 H new ATOM 0 HG23 ILE A 24 3.221 -5.142 -3.925 1.00 1.18 H new ATOM 0 HD11 ILE A 24 6.360 -6.741 -4.079 1.00 1.17 H new ATOM 0 HD12 ILE A 24 5.007 -5.607 -4.298 1.00 1.17 H new ATOM 0 HD13 ILE A 24 5.560 -6.026 -2.660 1.00 1.17 H new ATOM 357 N ALA A 25 0.942 -6.294 -0.982 1.00 1.12 N ATOM 358 CA ALA A 25 -0.221 -5.479 -0.520 1.00 1.28 C ATOM 359 C ALA A 25 0.087 -4.873 0.852 1.00 1.27 C ATOM 360 O ALA A 25 -0.153 -3.702 1.093 1.00 1.30 O ATOM 361 CB ALA A 25 -1.393 -6.463 -0.439 1.00 1.49 C ATOM 0 H ALA A 25 0.746 -7.284 -1.128 1.00 1.12 H new ATOM 0 HA ALA A 25 -0.446 -4.649 -1.190 1.00 1.28 H new ATOM 0 HB1 ALA A 25 -2.287 -5.937 -0.105 1.00 1.49 H new ATOM 0 HB2 ALA A 25 -1.573 -6.896 -1.423 1.00 1.49 H new ATOM 0 HB3 ALA A 25 -1.153 -7.257 0.269 1.00 1.49 H new ATOM 367 N ALA A 26 0.645 -5.654 1.738 1.00 1.29 N ATOM 368 CA ALA A 26 1.003 -5.125 3.087 1.00 1.39 C ATOM 369 C ALA A 26 2.054 -4.018 2.930 1.00 1.26 C ATOM 370 O ALA A 26 1.946 -2.965 3.527 1.00 1.33 O ATOM 371 CB ALA A 26 1.571 -6.322 3.855 1.00 1.49 C ATOM 0 H ALA A 26 0.869 -6.637 1.586 1.00 1.29 H new ATOM 0 HA ALA A 26 0.152 -4.693 3.613 1.00 1.39 H new ATOM 0 HB1 ALA A 26 1.857 -6.008 4.859 1.00 1.49 H new ATOM 0 HB2 ALA A 26 0.815 -7.104 3.921 1.00 1.49 H new ATOM 0 HB3 ALA A 26 2.447 -6.707 3.332 1.00 1.49 H new ATOM 377 N LEU A 27 3.047 -4.239 2.102 1.00 1.12 N ATOM 378 CA LEU A 27 4.081 -3.188 1.873 1.00 1.07 C ATOM 379 C LEU A 27 3.403 -1.950 1.268 1.00 1.00 C ATOM 380 O LEU A 27 3.645 -0.832 1.689 1.00 1.05 O ATOM 381 CB LEU A 27 5.077 -3.815 0.888 1.00 1.02 C ATOM 382 CG LEU A 27 5.972 -2.728 0.287 1.00 1.08 C ATOM 383 CD1 LEU A 27 7.427 -3.190 0.311 1.00 1.29 C ATOM 384 CD2 LEU A 27 5.550 -2.460 -1.159 1.00 1.09 C ATOM 0 H LEU A 27 3.184 -5.102 1.576 1.00 1.12 H new ATOM 0 HA LEU A 27 4.584 -2.870 2.787 1.00 1.07 H new ATOM 0 HB2 LEU A 27 5.688 -4.559 1.399 1.00 1.02 H new ATOM 0 HB3 LEU A 27 4.539 -4.335 0.095 1.00 1.02 H new ATOM 0 HG LEU A 27 5.871 -1.814 0.873 1.00 1.08 H new ATOM 0 HD11 LEU A 27 8.062 -2.415 -0.117 1.00 1.29 H new ATOM 0 HD12 LEU A 27 7.731 -3.381 1.340 1.00 1.29 H new ATOM 0 HD13 LEU A 27 7.528 -4.105 -0.273 1.00 1.29 H new ATOM 0 HD21 LEU A 27 6.187 -1.686 -1.587 1.00 1.09 H new ATOM 0 HD22 LEU A 27 5.649 -3.375 -1.743 1.00 1.09 H new ATOM 0 HD23 LEU A 27 4.512 -2.128 -1.179 1.00 1.09 H new ATOM 396 N GLY A 28 2.535 -2.151 0.301 1.00 0.96 N ATOM 397 CA GLY A 28 1.813 -0.998 -0.316 1.00 0.99 C ATOM 398 C GLY A 28 1.014 -0.279 0.772 1.00 1.07 C ATOM 399 O GLY A 28 1.050 0.932 0.879 1.00 1.06 O ATOM 0 H GLY A 28 2.298 -3.065 -0.085 1.00 0.96 H new ATOM 0 HA2 GLY A 28 2.523 -0.312 -0.779 1.00 0.99 H new ATOM 0 HA3 GLY A 28 1.147 -1.348 -1.105 1.00 0.99 H new ATOM 403 N ALA A 29 0.310 -1.021 1.598 1.00 1.21 N ATOM 404 CA ALA A 29 -0.474 -0.381 2.699 1.00 1.37 C ATOM 405 C ALA A 29 0.477 0.313 3.678 1.00 1.34 C ATOM 406 O ALA A 29 0.247 1.436 4.092 1.00 1.38 O ATOM 407 CB ALA A 29 -1.224 -1.530 3.380 1.00 1.57 C ATOM 0 H ALA A 29 0.246 -2.038 1.555 1.00 1.21 H new ATOM 0 HA ALA A 29 -1.163 0.381 2.334 1.00 1.37 H new ATOM 0 HB1 ALA A 29 -1.823 -1.137 4.201 1.00 1.57 H new ATOM 0 HB2 ALA A 29 -1.876 -2.018 2.656 1.00 1.57 H new ATOM 0 HB3 ALA A 29 -0.507 -2.253 3.768 1.00 1.57 H new ATOM 413 N LEU A 30 1.557 -0.339 4.024 1.00 1.32 N ATOM 414 CA LEU A 30 2.551 0.285 4.951 1.00 1.39 C ATOM 415 C LEU A 30 3.050 1.600 4.339 1.00 1.23 C ATOM 416 O LEU A 30 3.176 2.602 5.017 1.00 1.29 O ATOM 417 CB LEU A 30 3.691 -0.737 5.074 1.00 1.46 C ATOM 418 CG LEU A 30 3.398 -1.704 6.227 1.00 1.72 C ATOM 419 CD1 LEU A 30 4.176 -3.004 6.017 1.00 1.78 C ATOM 420 CD2 LEU A 30 3.830 -1.066 7.548 1.00 1.99 C ATOM 0 H LEU A 30 1.795 -1.278 3.705 1.00 1.32 H new ATOM 0 HA LEU A 30 2.131 0.520 5.929 1.00 1.39 H new ATOM 0 HB2 LEU A 30 3.798 -1.290 4.141 1.00 1.46 H new ATOM 0 HB3 LEU A 30 4.636 -0.223 5.250 1.00 1.46 H new ATOM 0 HG LEU A 30 2.330 -1.919 6.255 1.00 1.72 H new ATOM 0 HD11 LEU A 30 3.966 -3.690 6.838 1.00 1.78 H new ATOM 0 HD12 LEU A 30 3.873 -3.461 5.075 1.00 1.78 H new ATOM 0 HD13 LEU A 30 5.244 -2.788 5.988 1.00 1.78 H new ATOM 0 HD21 LEU A 30 3.622 -1.753 8.369 1.00 1.99 H new ATOM 0 HD22 LEU A 30 4.898 -0.851 7.516 1.00 1.99 H new ATOM 0 HD23 LEU A 30 3.278 -0.139 7.702 1.00 1.99 H new ATOM 432 N ILE A 31 3.303 1.608 3.050 1.00 1.06 N ATOM 433 CA ILE A 31 3.763 2.864 2.377 1.00 0.96 C ATOM 434 C ILE A 31 2.603 3.871 2.327 1.00 0.93 C ATOM 435 O ILE A 31 2.760 5.025 2.682 1.00 0.96 O ATOM 436 CB ILE A 31 4.183 2.437 0.961 1.00 0.90 C ATOM 437 CG1 ILE A 31 5.512 1.677 1.028 1.00 1.00 C ATOM 438 CG2 ILE A 31 4.360 3.673 0.070 1.00 0.97 C ATOM 439 CD1 ILE A 31 5.757 0.960 -0.302 1.00 1.05 C ATOM 0 H ILE A 31 3.210 0.799 2.436 1.00 1.06 H new ATOM 0 HA ILE A 31 4.587 3.346 2.903 1.00 0.96 H new ATOM 0 HB ILE A 31 3.408 1.795 0.542 1.00 0.90 H new ATOM 0 HG12 ILE A 31 6.328 2.368 1.237 1.00 1.00 H new ATOM 0 HG13 ILE A 31 5.490 0.955 1.844 1.00 1.00 H new ATOM 0 HG21 ILE A 31 4.658 3.360 -0.931 1.00 0.97 H new ATOM 0 HG22 ILE A 31 3.419 4.219 0.015 1.00 0.97 H new ATOM 0 HG23 ILE A 31 5.130 4.319 0.492 1.00 0.97 H new ATOM 0 HD11 ILE A 31 6.702 0.419 -0.255 1.00 1.05 H new ATOM 0 HD12 ILE A 31 4.946 0.257 -0.491 1.00 1.05 H new ATOM 0 HD13 ILE A 31 5.798 1.693 -1.108 1.00 1.05 H new ATOM 451 N LEU A 32 1.438 3.438 1.899 1.00 0.96 N ATOM 452 CA LEU A 32 0.263 4.366 1.834 1.00 1.04 C ATOM 453 C LEU A 32 -0.012 4.973 3.217 1.00 1.14 C ATOM 454 O LEU A 32 -0.155 6.172 3.354 1.00 1.14 O ATOM 455 CB LEU A 32 -0.917 3.499 1.374 1.00 1.18 C ATOM 456 CG LEU A 32 -1.661 4.203 0.234 1.00 1.56 C ATOM 457 CD1 LEU A 32 -2.045 3.182 -0.838 1.00 1.75 C ATOM 458 CD2 LEU A 32 -2.930 4.860 0.780 1.00 2.12 C ATOM 0 H LEU A 32 1.251 2.483 1.593 1.00 0.96 H new ATOM 0 HA LEU A 32 0.436 5.199 1.153 1.00 1.04 H new ATOM 0 HB2 LEU A 32 -0.557 2.526 1.040 1.00 1.18 H new ATOM 0 HB3 LEU A 32 -1.596 3.319 2.208 1.00 1.18 H new ATOM 0 HG LEU A 32 -1.012 4.963 -0.202 1.00 1.56 H new ATOM 0 HD11 LEU A 32 -2.574 3.686 -1.647 1.00 1.75 H new ATOM 0 HD12 LEU A 32 -1.144 2.711 -1.231 1.00 1.75 H new ATOM 0 HD13 LEU A 32 -2.691 2.421 -0.401 1.00 1.75 H new ATOM 0 HD21 LEU A 32 -3.459 5.360 -0.031 1.00 2.12 H new ATOM 0 HD22 LEU A 32 -3.575 4.098 1.218 1.00 2.12 H new ATOM 0 HD23 LEU A 32 -2.662 5.590 1.543 1.00 2.12 H new ATOM 470 N GLY A 33 -0.069 4.156 4.244 1.00 1.29 N ATOM 471 CA GLY A 33 -0.318 4.687 5.623 1.00 1.47 C ATOM 472 C GLY A 33 0.821 5.632 6.023 1.00 1.40 C ATOM 473 O GLY A 33 0.590 6.718 6.515 1.00 1.45 O ATOM 0 H GLY A 33 0.046 3.144 4.186 1.00 1.29 H new ATOM 0 HA2 GLY A 33 -1.271 5.216 5.654 1.00 1.47 H new ATOM 0 HA3 GLY A 33 -0.388 3.864 6.334 1.00 1.47 H new ATOM 988 N GLN A 66 7.144 19.549 1.090 1.00 0.72 N ATOM 989 CA GLN A 66 8.398 19.560 1.901 1.00 0.74 C ATOM 990 C GLN A 66 8.652 20.997 2.373 1.00 0.78 C ATOM 991 O GLN A 66 8.850 21.253 3.544 1.00 0.79 O ATOM 992 CB GLN A 66 9.508 19.078 0.958 1.00 0.80 C ATOM 993 CG GLN A 66 9.777 17.584 1.192 1.00 0.84 C ATOM 994 CD GLN A 66 10.863 17.400 2.257 1.00 0.87 C ATOM 995 OE1 GLN A 66 10.652 17.698 3.415 1.00 0.92 O ATOM 996 NE2 GLN A 66 12.022 16.912 1.921 1.00 1.04 N ATOM 0 HA GLN A 66 8.347 18.921 2.783 1.00 0.74 H new ATOM 0 HB2 GLN A 66 9.216 19.246 -0.079 1.00 0.80 H new ATOM 0 HB3 GLN A 66 10.418 19.652 1.130 1.00 0.80 H new ATOM 0 HG2 GLN A 66 8.860 17.088 1.509 1.00 0.84 H new ATOM 0 HG3 GLN A 66 10.089 17.113 0.260 1.00 0.84 H new ATOM 0 HE21 GLN A 66 12.207 16.659 0.950 1.00 1.04 H new ATOM 0 HE22 GLN A 66 12.745 16.782 2.628 1.00 1.04 H new ATOM 1005 N TYR A 67 8.601 21.936 1.466 1.00 0.85 N ATOM 1006 CA TYR A 67 8.797 23.371 1.845 1.00 0.94 C ATOM 1007 C TYR A 67 7.578 23.874 2.625 1.00 0.94 C ATOM 1008 O TYR A 67 7.705 24.499 3.665 1.00 0.99 O ATOM 1009 CB TYR A 67 8.925 24.125 0.519 1.00 1.04 C ATOM 1010 CG TYR A 67 10.361 24.521 0.282 1.00 1.80 C ATOM 1011 CD1 TYR A 67 10.893 25.643 0.926 1.00 2.52 C ATOM 1012 CD2 TYR A 67 11.152 23.777 -0.599 1.00 2.24 C ATOM 1013 CE1 TYR A 67 12.219 26.019 0.691 1.00 3.31 C ATOM 1014 CE2 TYR A 67 12.478 24.156 -0.835 1.00 3.08 C ATOM 1015 CZ TYR A 67 13.008 25.276 -0.189 1.00 3.50 C ATOM 1016 OH TYR A 67 14.313 25.649 -0.422 1.00 4.38 O ATOM 0 H TYR A 67 8.431 21.773 0.474 1.00 0.85 H new ATOM 0 HA TYR A 67 9.672 23.514 2.479 1.00 0.94 H new ATOM 0 HB2 TYR A 67 8.573 23.498 -0.300 1.00 1.04 H new ATOM 0 HB3 TYR A 67 8.293 25.013 0.535 1.00 1.04 H new ATOM 0 HD1 TYR A 67 10.280 26.218 1.604 1.00 2.52 H new ATOM 0 HD2 TYR A 67 10.740 22.911 -1.096 1.00 2.24 H new ATOM 0 HE1 TYR A 67 12.632 26.883 1.190 1.00 3.31 H new ATOM 0 HE2 TYR A 67 13.091 23.584 -1.515 1.00 3.08 H new ATOM 0 HH TYR A 67 14.723 25.026 -1.058 1.00 4.38 H new ATOM 1026 N SER A 68 6.397 23.593 2.123 1.00 0.91 N ATOM 1027 CA SER A 68 5.139 24.035 2.816 1.00 0.95 C ATOM 1028 C SER A 68 5.133 23.544 4.263 1.00 0.90 C ATOM 1029 O SER A 68 4.833 24.289 5.167 1.00 0.99 O ATOM 1030 CB SER A 68 3.979 23.400 2.042 1.00 0.95 C ATOM 1031 OG SER A 68 3.985 23.875 0.701 1.00 1.07 O ATOM 0 H SER A 68 6.248 23.073 1.258 1.00 0.91 H new ATOM 0 HA SER A 68 5.059 25.122 2.836 1.00 0.95 H new ATOM 0 HB2 SER A 68 4.071 22.314 2.054 1.00 0.95 H new ATOM 0 HB3 SER A 68 3.031 23.645 2.521 1.00 0.95 H new ATOM 0 HG SER A 68 3.244 23.467 0.206 1.00 1.07 H new ATOM 1037 N ALA A 69 5.452 22.295 4.491 1.00 0.79 N ATOM 1038 CA ALA A 69 5.462 21.773 5.894 1.00 0.76 C ATOM 1039 C ALA A 69 6.659 22.326 6.688 1.00 0.78 C ATOM 1040 O ALA A 69 6.492 22.938 7.726 1.00 0.84 O ATOM 1041 CB ALA A 69 5.555 20.252 5.754 1.00 0.72 C ATOM 0 H ALA A 69 5.705 21.617 3.772 1.00 0.79 H new ATOM 0 HA ALA A 69 4.572 22.079 6.443 1.00 0.76 H new ATOM 0 HB1 ALA A 69 5.567 19.796 6.744 1.00 0.72 H new ATOM 0 HB2 ALA A 69 4.694 19.885 5.196 1.00 0.72 H new ATOM 0 HB3 ALA A 69 6.470 19.991 5.223 1.00 0.72 H new ATOM 1047 N LYS A 70 7.856 22.102 6.214 1.00 0.76 N ATOM 1048 CA LYS A 70 9.081 22.585 6.934 1.00 0.82 C ATOM 1049 C LYS A 70 9.030 24.077 7.260 1.00 0.91 C ATOM 1050 O LYS A 70 9.114 24.467 8.407 1.00 0.96 O ATOM 1051 CB LYS A 70 10.213 22.312 5.953 1.00 0.85 C ATOM 1052 CG LYS A 70 10.789 20.936 6.229 1.00 0.88 C ATOM 1053 CD LYS A 70 9.784 19.848 5.833 1.00 0.88 C ATOM 1054 CE LYS A 70 10.177 18.517 6.474 1.00 0.81 C ATOM 1055 NZ LYS A 70 9.651 17.485 5.540 1.00 0.80 N ATOM 0 H LYS A 70 8.044 21.598 5.347 1.00 0.76 H new ATOM 0 HA LYS A 70 9.193 22.083 7.895 1.00 0.82 H new ATOM 0 HB2 LYS A 70 9.844 22.367 4.929 1.00 0.85 H new ATOM 0 HB3 LYS A 70 10.989 23.071 6.053 1.00 0.85 H new ATOM 0 HG2 LYS A 70 11.716 20.804 5.671 1.00 0.88 H new ATOM 0 HG3 LYS A 70 11.037 20.844 7.286 1.00 0.88 H new ATOM 0 HD2 LYS A 70 8.782 20.133 6.152 1.00 0.88 H new ATOM 0 HD3 LYS A 70 9.756 19.745 4.748 1.00 0.88 H new ATOM 0 HE2 LYS A 70 11.258 18.435 6.588 1.00 0.81 H new ATOM 0 HE3 LYS A 70 9.742 18.411 7.468 1.00 0.81 H new ATOM 0 HZ1 LYS A 70 9.787 16.541 5.954 1.00 0.80 H new ATOM 0 HZ2 LYS A 70 8.637 17.649 5.377 1.00 0.80 H new ATOM 0 HZ3 LYS A 70 10.161 17.543 4.635 1.00 0.80 H new ATOM 1069 N GLY A 71 8.934 24.894 6.249 1.00 0.95 N ATOM 1070 CA GLY A 71 8.909 26.392 6.437 1.00 1.07 C ATOM 1071 C GLY A 71 8.243 26.783 7.765 1.00 1.10 C ATOM 1072 O GLY A 71 8.903 27.280 8.660 1.00 1.15 O ATOM 0 H GLY A 71 8.870 24.591 5.277 1.00 0.95 H new ATOM 0 HA2 GLY A 71 9.927 26.780 6.412 1.00 1.07 H new ATOM 0 HA3 GLY A 71 8.371 26.854 5.609 1.00 1.07 H new ATOM 1076 N PRO A 72 6.957 26.539 7.858 1.00 1.09 N ATOM 1077 CA PRO A 72 6.208 26.865 9.098 1.00 1.14 C ATOM 1078 C PRO A 72 6.681 25.988 10.261 1.00 1.09 C ATOM 1079 O PRO A 72 6.851 26.468 11.363 1.00 1.15 O ATOM 1080 CB PRO A 72 4.752 26.584 8.729 1.00 1.17 C ATOM 1081 CG PRO A 72 4.835 25.607 7.606 1.00 1.10 C ATOM 1082 CD PRO A 72 6.088 25.944 6.841 1.00 1.07 C ATOM 0 HA PRO A 72 6.355 27.892 9.432 1.00 1.14 H new ATOM 0 HB2 PRO A 72 4.201 26.172 9.574 1.00 1.17 H new ATOM 0 HB3 PRO A 72 4.236 27.495 8.426 1.00 1.17 H new ATOM 0 HG2 PRO A 72 4.873 24.585 7.983 1.00 1.10 H new ATOM 0 HG3 PRO A 72 3.957 25.678 6.964 1.00 1.10 H new ATOM 0 HD2 PRO A 72 6.539 25.056 6.397 1.00 1.07 H new ATOM 0 HD3 PRO A 72 5.887 26.640 6.027 1.00 1.07 H new ATOM 1090 N CYS A 73 6.926 24.716 10.035 1.00 1.01 N ATOM 1091 CA CYS A 73 7.418 23.852 11.157 1.00 1.01 C ATOM 1092 C CYS A 73 8.732 24.426 11.699 1.00 1.06 C ATOM 1093 O CYS A 73 8.938 24.520 12.897 1.00 1.12 O ATOM 1094 CB CYS A 73 7.637 22.459 10.557 1.00 0.96 C ATOM 1095 SG CYS A 73 6.840 21.219 11.608 1.00 1.58 S ATOM 0 H CYS A 73 6.809 24.246 9.137 1.00 1.01 H new ATOM 0 HA CYS A 73 6.711 23.808 11.985 1.00 1.01 H new ATOM 0 HB2 CYS A 73 7.225 22.416 9.549 1.00 0.96 H new ATOM 0 HB3 CYS A 73 8.704 22.250 10.474 1.00 0.96 H new ATOM 0 HG CYS A 73 7.023 20.037 11.099 1.00 1.58 H new ATOM 1101 N VAL A 74 9.603 24.837 10.818 1.00 1.07 N ATOM 1102 CA VAL A 74 10.900 25.436 11.258 1.00 1.17 C ATOM 1103 C VAL A 74 10.643 26.819 11.848 1.00 1.25 C ATOM 1104 O VAL A 74 11.153 27.155 12.898 1.00 1.33 O ATOM 1105 CB VAL A 74 11.771 25.520 9.997 1.00 1.18 C ATOM 1106 CG1 VAL A 74 13.025 26.349 10.287 1.00 1.37 C ATOM 1107 CG2 VAL A 74 12.194 24.112 9.574 1.00 1.17 C ATOM 0 H VAL A 74 9.473 24.784 9.808 1.00 1.07 H new ATOM 0 HA VAL A 74 11.395 24.844 12.028 1.00 1.17 H new ATOM 0 HB VAL A 74 11.197 25.991 9.199 1.00 1.18 H new ATOM 0 HG11 VAL A 74 13.640 26.405 9.389 1.00 1.37 H new ATOM 0 HG12 VAL A 74 12.734 27.354 10.591 1.00 1.37 H new ATOM 0 HG13 VAL A 74 13.595 25.878 11.088 1.00 1.37 H new ATOM 0 HG21 VAL A 74 12.813 24.172 8.678 1.00 1.17 H new ATOM 0 HG22 VAL A 74 12.764 23.646 10.378 1.00 1.17 H new ATOM 0 HG23 VAL A 74 11.308 23.514 9.364 1.00 1.17 H new ATOM 1117 N GLU A 75 9.837 27.613 11.194 1.00 1.26 N ATOM 1118 CA GLU A 75 9.522 28.970 11.741 1.00 1.38 C ATOM 1119 C GLU A 75 8.933 28.828 13.149 1.00 1.39 C ATOM 1120 O GLU A 75 9.283 29.556 14.057 1.00 1.47 O ATOM 1121 CB GLU A 75 8.500 29.582 10.776 1.00 1.42 C ATOM 1122 CG GLU A 75 8.839 31.062 10.540 1.00 1.56 C ATOM 1123 CD GLU A 75 8.537 31.878 11.798 1.00 1.63 C ATOM 1124 OE1 GLU A 75 7.370 32.003 12.138 1.00 1.72 O ATOM 1125 OE2 GLU A 75 9.479 32.368 12.402 1.00 1.68 O ATOM 0 H GLU A 75 9.384 27.384 10.309 1.00 1.26 H new ATOM 0 HA GLU A 75 10.407 29.602 11.821 1.00 1.38 H new ATOM 0 HB2 GLU A 75 8.508 29.041 9.830 1.00 1.42 H new ATOM 0 HB3 GLU A 75 7.495 29.489 11.187 1.00 1.42 H new ATOM 0 HG2 GLU A 75 9.891 31.164 10.275 1.00 1.56 H new ATOM 0 HG3 GLU A 75 8.260 31.446 9.700 1.00 1.56 H new ATOM 1132 N ARG A 76 8.062 27.873 13.337 1.00 1.33 N ATOM 1133 CA ARG A 76 7.460 27.654 14.690 1.00 1.38 C ATOM 1134 C ARG A 76 8.539 27.170 15.663 1.00 1.38 C ATOM 1135 O ARG A 76 8.699 27.710 16.741 1.00 1.46 O ATOM 1136 CB ARG A 76 6.383 26.578 14.497 1.00 1.37 C ATOM 1137 CG ARG A 76 4.998 27.232 14.495 1.00 1.49 C ATOM 1138 CD ARG A 76 4.646 27.668 13.073 1.00 1.48 C ATOM 1139 NE ARG A 76 4.282 29.112 13.188 1.00 1.58 N ATOM 1140 CZ ARG A 76 5.124 30.024 12.813 1.00 1.60 C ATOM 1141 NH1 ARG A 76 5.249 30.317 11.559 1.00 1.70 N ATOM 1142 NH2 ARG A 76 5.838 30.648 13.689 1.00 1.63 N ATOM 0 H ARG A 76 7.739 27.232 12.612 1.00 1.33 H new ATOM 0 HA ARG A 76 7.035 28.568 15.104 1.00 1.38 H new ATOM 0 HB2 ARG A 76 6.548 26.049 13.559 1.00 1.37 H new ATOM 0 HB3 ARG A 76 6.446 25.839 15.295 1.00 1.37 H new ATOM 0 HG2 ARG A 76 4.252 26.530 14.868 1.00 1.49 H new ATOM 0 HG3 ARG A 76 4.989 28.092 15.164 1.00 1.49 H new ATOM 0 HD2 ARG A 76 5.489 27.527 12.397 1.00 1.48 H new ATOM 0 HD3 ARG A 76 3.817 27.083 12.675 1.00 1.48 H new ATOM 0 HE ARG A 76 3.372 29.381 13.561 1.00 1.58 H new ATOM 0 HH11 ARG A 76 4.684 29.830 10.863 1.00 1.70 H new ATOM 0 HH12 ARG A 76 5.912 31.035 11.267 1.00 1.70 H new ATOM 0 HH21 ARG A 76 5.741 30.424 14.679 1.00 1.63 H new ATOM 0 HH22 ARG A 76 6.499 31.365 13.391 1.00 1.63 H new ATOM 1156 N LYS A 77 9.287 26.164 15.280 1.00 1.35 N ATOM 1157 CA LYS A 77 10.374 25.653 16.178 1.00 1.42 C ATOM 1158 C LYS A 77 11.358 26.785 16.489 1.00 1.49 C ATOM 1159 O LYS A 77 11.796 26.953 17.614 1.00 1.59 O ATOM 1160 CB LYS A 77 11.064 24.530 15.389 1.00 1.40 C ATOM 1161 CG LYS A 77 10.563 23.167 15.880 1.00 1.54 C ATOM 1162 CD LYS A 77 11.621 22.525 16.783 1.00 1.87 C ATOM 1163 CE LYS A 77 11.321 22.857 18.249 1.00 1.95 C ATOM 1164 NZ LYS A 77 12.536 23.576 18.734 1.00 2.24 N ATOM 0 H LYS A 77 9.194 25.676 14.389 1.00 1.35 H new ATOM 0 HA LYS A 77 9.990 25.288 17.130 1.00 1.42 H new ATOM 0 HB2 LYS A 77 10.858 24.641 14.324 1.00 1.40 H new ATOM 0 HB3 LYS A 77 12.145 24.597 15.513 1.00 1.40 H new ATOM 0 HG2 LYS A 77 9.628 23.288 16.427 1.00 1.54 H new ATOM 0 HG3 LYS A 77 10.353 22.518 15.030 1.00 1.54 H new ATOM 0 HD2 LYS A 77 11.628 21.445 16.639 1.00 1.87 H new ATOM 0 HD3 LYS A 77 12.612 22.889 16.513 1.00 1.87 H new ATOM 0 HE2 LYS A 77 10.431 23.479 18.339 1.00 1.95 H new ATOM 0 HE3 LYS A 77 11.138 21.953 18.830 1.00 1.95 H new ATOM 0 HZ1 LYS A 77 12.409 23.838 19.732 1.00 2.24 H new ATOM 0 HZ2 LYS A 77 13.366 22.956 18.642 1.00 2.24 H new ATOM 0 HZ3 LYS A 77 12.681 24.435 18.166 1.00 2.24 H new ATOM 1178 N ALA A 78 11.684 27.568 15.496 1.00 1.47 N ATOM 1179 CA ALA A 78 12.620 28.713 15.698 1.00 1.58 C ATOM 1180 C ALA A 78 11.981 29.751 16.615 1.00 1.64 C ATOM 1181 O ALA A 78 12.577 30.184 17.571 1.00 1.76 O ATOM 1182 CB ALA A 78 12.864 29.286 14.298 1.00 1.59 C ATOM 0 H ALA A 78 11.338 27.462 14.542 1.00 1.47 H new ATOM 0 HA ALA A 78 13.555 28.410 16.170 1.00 1.58 H new ATOM 0 HB1 ALA A 78 13.545 30.134 14.366 1.00 1.59 H new ATOM 0 HB2 ALA A 78 13.303 28.518 13.662 1.00 1.59 H new ATOM 0 HB3 ALA A 78 11.917 29.614 13.869 1.00 1.59 H new ATOM 1188 N LYS A 79 10.769 30.136 16.346 1.00 1.60 N ATOM 1189 CA LYS A 79 10.092 31.137 17.231 1.00 1.70 C ATOM 1190 C LYS A 79 9.948 30.564 18.651 1.00 1.77 C ATOM 1191 O LYS A 79 10.289 31.208 19.628 1.00 1.99 O ATOM 1192 CB LYS A 79 8.712 31.381 16.606 1.00 1.71 C ATOM 1193 CG LYS A 79 8.867 32.015 15.220 1.00 1.72 C ATOM 1194 CD LYS A 79 8.670 33.532 15.307 1.00 1.56 C ATOM 1195 CE LYS A 79 10.029 34.234 15.202 1.00 1.61 C ATOM 1196 NZ LYS A 79 10.344 34.270 13.740 1.00 1.80 N ATOM 0 H LYS A 79 10.214 29.807 15.556 1.00 1.60 H new ATOM 0 HA LYS A 79 10.660 32.064 17.310 1.00 1.70 H new ATOM 0 HB2 LYS A 79 8.169 30.439 16.525 1.00 1.71 H new ATOM 0 HB3 LYS A 79 8.123 32.034 17.250 1.00 1.71 H new ATOM 0 HG2 LYS A 79 9.855 31.792 14.818 1.00 1.72 H new ATOM 0 HG3 LYS A 79 8.139 31.585 14.532 1.00 1.72 H new ATOM 0 HD2 LYS A 79 8.012 33.870 14.506 1.00 1.56 H new ATOM 0 HD3 LYS A 79 8.186 33.793 16.248 1.00 1.56 H new ATOM 0 HE2 LYS A 79 9.985 35.240 15.620 1.00 1.61 H new ATOM 0 HE3 LYS A 79 10.795 33.692 15.756 1.00 1.61 H new ATOM 0 HZ1 LYS A 79 11.367 34.141 13.602 1.00 1.80 H new ATOM 0 HZ2 LYS A 79 9.830 33.507 13.255 1.00 1.80 H new ATOM 0 HZ3 LYS A 79 10.055 35.188 13.345 1.00 1.80 H new ATOM 1210 N LEU A 80 9.446 29.358 18.768 1.00 1.66 N ATOM 1211 CA LEU A 80 9.267 28.731 20.118 1.00 1.80 C ATOM 1212 C LEU A 80 10.605 28.619 20.866 1.00 1.80 C ATOM 1213 O LEU A 80 10.683 28.891 22.048 1.00 1.93 O ATOM 1214 CB LEU A 80 8.659 27.349 19.827 1.00 1.88 C ATOM 1215 CG LEU A 80 8.560 26.520 21.112 1.00 2.19 C ATOM 1216 CD1 LEU A 80 7.832 27.313 22.199 1.00 2.20 C ATOM 1217 CD2 LEU A 80 7.783 25.233 20.823 1.00 3.18 C ATOM 0 H LEU A 80 9.151 28.777 17.983 1.00 1.66 H new ATOM 0 HA LEU A 80 8.626 29.327 20.768 1.00 1.80 H new ATOM 0 HB2 LEU A 80 7.669 27.467 19.387 1.00 1.88 H new ATOM 0 HB3 LEU A 80 9.272 26.823 19.095 1.00 1.88 H new ATOM 0 HG LEU A 80 9.565 26.281 21.459 1.00 2.19 H new ATOM 0 HD11 LEU A 80 7.768 26.713 23.107 1.00 2.20 H new ATOM 0 HD12 LEU A 80 8.381 28.231 22.409 1.00 2.20 H new ATOM 0 HD13 LEU A 80 6.827 27.561 21.857 1.00 2.20 H new ATOM 0 HD21 LEU A 80 7.710 24.640 21.734 1.00 3.18 H new ATOM 0 HD22 LEU A 80 6.782 25.483 20.472 1.00 3.18 H new ATOM 0 HD23 LEU A 80 8.303 24.658 20.057 1.00 3.18 H new