USER MOD reduce.3.24.130724 H: found=0, std=0, add=291, rem=0, adj=7 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= 1.01 K(o=1.6,f=-18!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ 162:sc= 0.553! (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+ -108:sc= 1.08 (180deg=-1.48) USER MOD Single : A 79 LYS NZ :NH3+ -121:sc= 1 (180deg=-0.577!) USER MOD ----------------------------------------------------------------- ATOM 174 N VAL A 14 0.890 -21.511 -6.096 1.00 1.00 N ATOM 175 CA VAL A 14 -0.219 -20.585 -5.723 1.00 1.08 C ATOM 176 C VAL A 14 0.037 -19.996 -4.324 1.00 0.98 C ATOM 177 O VAL A 14 -0.289 -18.853 -4.058 1.00 1.01 O ATOM 178 CB VAL A 14 -1.506 -21.425 -5.768 1.00 1.24 C ATOM 179 CG1 VAL A 14 -1.752 -21.915 -7.199 1.00 1.38 C ATOM 180 CG2 VAL A 14 -1.397 -22.635 -4.836 1.00 1.22 C ATOM 0 HA VAL A 14 -0.297 -19.737 -6.404 1.00 1.08 H new ATOM 0 HB VAL A 14 -2.336 -20.799 -5.440 1.00 1.24 H new ATOM 0 HG11 VAL A 14 -2.665 -22.510 -7.228 1.00 1.38 H new ATOM 0 HG12 VAL A 14 -1.856 -21.058 -7.864 1.00 1.38 H new ATOM 0 HG13 VAL A 14 -0.910 -22.526 -7.524 1.00 1.38 H new ATOM 0 HG21 VAL A 14 -2.319 -23.215 -4.884 1.00 1.22 H new ATOM 0 HG22 VAL A 14 -0.559 -23.259 -5.146 1.00 1.22 H new ATOM 0 HG23 VAL A 14 -1.236 -22.293 -3.814 1.00 1.22 H new ATOM 190 N VAL A 15 0.651 -20.746 -3.438 1.00 0.92 N ATOM 191 CA VAL A 15 0.956 -20.193 -2.082 1.00 0.92 C ATOM 192 C VAL A 15 2.088 -19.164 -2.201 1.00 0.85 C ATOM 193 O VAL A 15 2.052 -18.112 -1.592 1.00 0.87 O ATOM 194 CB VAL A 15 1.372 -21.395 -1.221 1.00 1.02 C ATOM 195 CG1 VAL A 15 2.043 -20.907 0.066 1.00 1.15 C ATOM 196 CG2 VAL A 15 0.130 -22.215 -0.855 1.00 1.20 C ATOM 0 H VAL A 15 0.951 -21.708 -3.594 1.00 0.92 H new ATOM 0 HA VAL A 15 0.104 -19.683 -1.633 1.00 0.92 H new ATOM 0 HB VAL A 15 2.072 -22.011 -1.786 1.00 1.02 H new ATOM 0 HG11 VAL A 15 2.335 -21.765 0.672 1.00 1.15 H new ATOM 0 HG12 VAL A 15 2.927 -20.321 -0.184 1.00 1.15 H new ATOM 0 HG13 VAL A 15 1.344 -20.287 0.628 1.00 1.15 H new ATOM 0 HG21 VAL A 15 0.424 -23.068 -0.244 1.00 1.20 H new ATOM 0 HG22 VAL A 15 -0.566 -21.591 -0.295 1.00 1.20 H new ATOM 0 HG23 VAL A 15 -0.353 -22.570 -1.765 1.00 1.20 H new ATOM 206 N THR A 16 3.078 -19.448 -3.008 1.00 0.85 N ATOM 207 CA THR A 16 4.199 -18.470 -3.188 1.00 0.90 C ATOM 208 C THR A 16 3.645 -17.142 -3.709 1.00 0.90 C ATOM 209 O THR A 16 3.936 -16.085 -3.179 1.00 0.93 O ATOM 210 CB THR A 16 5.146 -19.101 -4.220 1.00 0.98 C ATOM 211 OG1 THR A 16 5.740 -20.263 -3.664 1.00 1.04 O ATOM 212 CG2 THR A 16 6.249 -18.108 -4.589 1.00 1.17 C ATOM 0 H THR A 16 3.161 -20.309 -3.548 1.00 0.85 H new ATOM 0 HA THR A 16 4.717 -18.265 -2.251 1.00 0.90 H new ATOM 0 HB THR A 16 4.578 -19.362 -5.113 1.00 0.98 H new ATOM 0 HG1 THR A 16 6.343 -20.668 -4.321 1.00 1.04 H new ATOM 0 HG21 THR A 16 6.917 -18.562 -5.321 1.00 1.17 H new ATOM 0 HG22 THR A 16 5.802 -17.209 -5.014 1.00 1.17 H new ATOM 0 HG23 THR A 16 6.815 -17.844 -3.696 1.00 1.17 H new ATOM 220 N VAL A 17 2.847 -17.193 -4.742 1.00 0.94 N ATOM 221 CA VAL A 17 2.270 -15.933 -5.305 1.00 1.03 C ATOM 222 C VAL A 17 1.332 -15.243 -4.298 1.00 1.01 C ATOM 223 O VAL A 17 1.408 -14.042 -4.137 1.00 1.09 O ATOM 224 CB VAL A 17 1.529 -16.307 -6.602 1.00 1.12 C ATOM 225 CG1 VAL A 17 2.540 -16.485 -7.736 1.00 1.36 C ATOM 226 CG2 VAL A 17 0.731 -17.602 -6.434 1.00 1.53 C ATOM 0 H VAL A 17 2.569 -18.050 -5.221 1.00 0.94 H new ATOM 0 HA VAL A 17 3.063 -15.216 -5.517 1.00 1.03 H new ATOM 0 HB VAL A 17 0.834 -15.501 -6.838 1.00 1.12 H new ATOM 0 HG11 VAL A 17 2.015 -16.750 -8.654 1.00 1.36 H new ATOM 0 HG12 VAL A 17 3.086 -15.554 -7.886 1.00 1.36 H new ATOM 0 HG13 VAL A 17 3.241 -17.279 -7.477 1.00 1.36 H new ATOM 0 HG21 VAL A 17 0.220 -17.838 -7.367 1.00 1.53 H new ATOM 0 HG22 VAL A 17 1.408 -18.416 -6.175 1.00 1.53 H new ATOM 0 HG23 VAL A 17 -0.004 -17.476 -5.639 1.00 1.53 H new ATOM 236 N ILE A 18 0.462 -15.954 -3.598 1.00 0.98 N ATOM 237 CA ILE A 18 -0.418 -15.239 -2.614 1.00 1.03 C ATOM 238 C ILE A 18 0.425 -14.682 -1.465 1.00 0.97 C ATOM 239 O ILE A 18 0.133 -13.626 -0.937 1.00 1.01 O ATOM 240 CB ILE A 18 -1.464 -16.253 -2.121 1.00 1.11 C ATOM 241 CG1 ILE A 18 -0.794 -17.445 -1.434 1.00 1.08 C ATOM 242 CG2 ILE A 18 -2.295 -16.753 -3.302 1.00 1.22 C ATOM 243 CD1 ILE A 18 -1.572 -17.807 -0.168 1.00 1.24 C ATOM 0 H ILE A 18 0.329 -16.963 -3.665 1.00 0.98 H new ATOM 0 HA ILE A 18 -0.922 -14.388 -3.073 1.00 1.03 H new ATOM 0 HB ILE A 18 -2.108 -15.752 -1.398 1.00 1.11 H new ATOM 0 HG12 ILE A 18 -0.763 -18.299 -2.111 1.00 1.08 H new ATOM 0 HG13 ILE A 18 0.238 -17.200 -1.182 1.00 1.08 H new ATOM 0 HG21 ILE A 18 -3.035 -17.471 -2.948 1.00 1.22 H new ATOM 0 HG22 ILE A 18 -2.803 -15.911 -3.772 1.00 1.22 H new ATOM 0 HG23 ILE A 18 -1.641 -17.234 -4.029 1.00 1.22 H new ATOM 0 HD11 ILE A 18 -1.095 -18.656 0.322 1.00 1.24 H new ATOM 0 HD12 ILE A 18 -1.580 -16.954 0.511 1.00 1.24 H new ATOM 0 HD13 ILE A 18 -2.596 -18.069 -0.433 1.00 1.24 H new ATOM 255 N VAL A 19 1.489 -15.349 -1.104 1.00 0.92 N ATOM 256 CA VAL A 19 2.368 -14.809 -0.021 1.00 0.93 C ATOM 257 C VAL A 19 3.079 -13.565 -0.563 1.00 0.94 C ATOM 258 O VAL A 19 3.087 -12.522 0.066 1.00 0.96 O ATOM 259 CB VAL A 19 3.368 -15.929 0.308 1.00 0.95 C ATOM 260 CG1 VAL A 19 4.518 -15.372 1.156 1.00 1.05 C ATOM 261 CG2 VAL A 19 2.660 -17.034 1.100 1.00 1.03 C ATOM 0 H VAL A 19 1.787 -16.237 -1.507 1.00 0.92 H new ATOM 0 HA VAL A 19 1.821 -14.521 0.876 1.00 0.93 H new ATOM 0 HB VAL A 19 3.763 -16.333 -0.624 1.00 0.95 H new ATOM 0 HG11 VAL A 19 5.222 -16.172 1.385 1.00 1.05 H new ATOM 0 HG12 VAL A 19 5.030 -14.585 0.602 1.00 1.05 H new ATOM 0 HG13 VAL A 19 4.120 -14.962 2.084 1.00 1.05 H new ATOM 0 HG21 VAL A 19 3.370 -17.827 1.332 1.00 1.03 H new ATOM 0 HG22 VAL A 19 2.263 -16.620 2.027 1.00 1.03 H new ATOM 0 HG23 VAL A 19 1.843 -17.442 0.505 1.00 1.03 H new ATOM 271 N ILE A 20 3.642 -13.657 -1.748 1.00 0.95 N ATOM 272 CA ILE A 20 4.313 -12.464 -2.353 1.00 1.02 C ATOM 273 C ILE A 20 3.278 -11.352 -2.514 1.00 1.03 C ATOM 274 O ILE A 20 3.506 -10.213 -2.154 1.00 1.06 O ATOM 275 CB ILE A 20 4.832 -12.933 -3.720 1.00 1.09 C ATOM 276 CG1 ILE A 20 6.028 -13.867 -3.523 1.00 1.12 C ATOM 277 CG2 ILE A 20 5.269 -11.722 -4.553 1.00 1.25 C ATOM 278 CD1 ILE A 20 6.370 -14.549 -4.849 1.00 1.21 C ATOM 0 H ILE A 20 3.665 -14.503 -2.317 1.00 0.95 H new ATOM 0 HA ILE A 20 5.128 -12.076 -1.741 1.00 1.02 H new ATOM 0 HB ILE A 20 4.035 -13.464 -4.241 1.00 1.09 H new ATOM 0 HG12 ILE A 20 6.887 -13.303 -3.160 1.00 1.12 H new ATOM 0 HG13 ILE A 20 5.796 -14.616 -2.766 1.00 1.12 H new ATOM 0 HG21 ILE A 20 5.636 -12.060 -5.522 1.00 1.25 H new ATOM 0 HG22 ILE A 20 4.419 -11.056 -4.700 1.00 1.25 H new ATOM 0 HG23 ILE A 20 6.063 -11.188 -4.030 1.00 1.25 H new ATOM 0 HD11 ILE A 20 7.222 -15.214 -4.707 1.00 1.21 H new ATOM 0 HD12 ILE A 20 5.512 -15.127 -5.193 1.00 1.21 H new ATOM 0 HD13 ILE A 20 6.620 -13.793 -5.593 1.00 1.21 H new ATOM 290 N LEU A 21 2.129 -11.695 -3.030 1.00 1.04 N ATOM 291 CA LEU A 21 1.041 -10.685 -3.198 1.00 1.10 C ATOM 292 C LEU A 21 0.682 -10.099 -1.831 1.00 1.07 C ATOM 293 O LEU A 21 0.668 -8.896 -1.651 1.00 1.11 O ATOM 294 CB LEU A 21 -0.144 -11.455 -3.790 1.00 1.16 C ATOM 295 CG LEU A 21 -0.100 -11.376 -5.316 1.00 1.30 C ATOM 296 CD1 LEU A 21 -0.817 -12.589 -5.910 1.00 1.44 C ATOM 297 CD2 LEU A 21 -0.799 -10.097 -5.777 1.00 1.53 C ATOM 0 H LEU A 21 1.894 -12.636 -3.345 1.00 1.04 H new ATOM 0 HA LEU A 21 1.332 -9.856 -3.843 1.00 1.10 H new ATOM 0 HB2 LEU A 21 -0.110 -12.496 -3.469 1.00 1.16 H new ATOM 0 HB3 LEU A 21 -1.081 -11.038 -3.422 1.00 1.16 H new ATOM 0 HG LEU A 21 0.937 -11.367 -5.651 1.00 1.30 H new ATOM 0 HD11 LEU A 21 -0.786 -12.533 -6.998 1.00 1.44 H new ATOM 0 HD12 LEU A 21 -0.322 -13.502 -5.579 1.00 1.44 H new ATOM 0 HD13 LEU A 21 -1.855 -12.598 -5.577 1.00 1.44 H new ATOM 0 HD21 LEU A 21 -0.769 -10.038 -6.865 1.00 1.53 H new ATOM 0 HD22 LEU A 21 -1.836 -10.109 -5.443 1.00 1.53 H new ATOM 0 HD23 LEU A 21 -0.291 -9.231 -5.353 1.00 1.53 H new ATOM 309 N ILE A 22 0.419 -10.937 -0.855 1.00 1.04 N ATOM 310 CA ILE A 22 0.095 -10.405 0.507 1.00 1.05 C ATOM 311 C ILE A 22 1.245 -9.507 0.984 1.00 1.02 C ATOM 312 O ILE A 22 1.030 -8.478 1.601 1.00 1.04 O ATOM 313 CB ILE A 22 -0.063 -11.643 1.406 1.00 1.09 C ATOM 314 CG1 ILE A 22 -1.463 -12.235 1.213 1.00 1.17 C ATOM 315 CG2 ILE A 22 0.115 -11.255 2.878 1.00 1.16 C ATOM 316 CD1 ILE A 22 -1.487 -13.677 1.727 1.00 1.37 C ATOM 0 H ILE A 22 0.415 -11.953 -0.941 1.00 1.04 H new ATOM 0 HA ILE A 22 -0.812 -9.800 0.522 1.00 1.05 H new ATOM 0 HB ILE A 22 0.696 -12.376 1.133 1.00 1.09 H new ATOM 0 HG12 ILE A 22 -2.199 -11.635 1.748 1.00 1.17 H new ATOM 0 HG13 ILE A 22 -1.737 -12.210 0.158 1.00 1.17 H new ATOM 0 HG21 ILE A 22 0.001 -12.140 3.504 1.00 1.16 H new ATOM 0 HG22 ILE A 22 1.109 -10.832 3.025 1.00 1.16 H new ATOM 0 HG23 ILE A 22 -0.638 -10.516 3.153 1.00 1.16 H new ATOM 0 HD11 ILE A 22 -2.484 -14.096 1.589 1.00 1.37 H new ATOM 0 HD12 ILE A 22 -0.763 -14.273 1.172 1.00 1.37 H new ATOM 0 HD13 ILE A 22 -1.232 -13.690 2.787 1.00 1.37 H new ATOM 328 N ALA A 23 2.461 -9.883 0.681 1.00 1.02 N ATOM 329 CA ALA A 23 3.636 -9.055 1.096 1.00 1.04 C ATOM 330 C ALA A 23 3.655 -7.717 0.340 1.00 1.03 C ATOM 331 O ALA A 23 3.732 -6.666 0.951 1.00 1.04 O ATOM 332 CB ALA A 23 4.868 -9.900 0.752 1.00 1.08 C ATOM 0 H ALA A 23 2.693 -10.730 0.162 1.00 1.02 H new ATOM 0 HA ALA A 23 3.603 -8.805 2.156 1.00 1.04 H new ATOM 0 HB1 ALA A 23 5.771 -9.356 1.029 1.00 1.08 H new ATOM 0 HB2 ALA A 23 4.829 -10.841 1.301 1.00 1.08 H new ATOM 0 HB3 ALA A 23 4.882 -10.105 -0.319 1.00 1.08 H new ATOM 338 N ILE A 24 3.569 -7.730 -0.975 1.00 1.06 N ATOM 339 CA ILE A 24 3.571 -6.433 -1.718 1.00 1.10 C ATOM 340 C ILE A 24 2.344 -5.613 -1.304 1.00 1.08 C ATOM 341 O ILE A 24 2.420 -4.409 -1.147 1.00 1.09 O ATOM 342 CB ILE A 24 3.548 -6.784 -3.217 1.00 1.19 C ATOM 343 CG1 ILE A 24 2.259 -7.523 -3.593 1.00 1.18 C ATOM 344 CG2 ILE A 24 4.746 -7.669 -3.554 1.00 1.24 C ATOM 345 CD1 ILE A 24 2.114 -7.551 -5.118 1.00 1.43 C ATOM 0 H ILE A 24 3.499 -8.568 -1.552 1.00 1.06 H new ATOM 0 HA ILE A 24 4.451 -5.829 -1.496 1.00 1.10 H new ATOM 0 HB ILE A 24 3.594 -5.854 -3.783 1.00 1.19 H new ATOM 0 HG12 ILE A 24 2.282 -8.540 -3.200 1.00 1.18 H new ATOM 0 HG13 ILE A 24 1.398 -7.027 -3.144 1.00 1.18 H new ATOM 0 HG21 ILE A 24 4.728 -7.917 -4.615 1.00 1.24 H new ATOM 0 HG22 ILE A 24 5.668 -7.137 -3.321 1.00 1.24 H new ATOM 0 HG23 ILE A 24 4.698 -8.586 -2.967 1.00 1.24 H new ATOM 0 HD11 ILE A 24 1.198 -8.076 -5.387 1.00 1.43 H new ATOM 0 HD12 ILE A 24 2.072 -6.530 -5.498 1.00 1.43 H new ATOM 0 HD13 ILE A 24 2.969 -8.066 -5.555 1.00 1.43 H new ATOM 357 N ALA A 25 1.227 -6.264 -1.085 1.00 1.07 N ATOM 358 CA ALA A 25 0.007 -5.526 -0.638 1.00 1.08 C ATOM 359 C ALA A 25 0.262 -4.929 0.747 1.00 1.03 C ATOM 360 O ALA A 25 -0.008 -3.766 0.993 1.00 1.02 O ATOM 361 CB ALA A 25 -1.114 -6.570 -0.593 1.00 1.13 C ATOM 0 H ALA A 25 1.109 -7.271 -1.196 1.00 1.07 H new ATOM 0 HA ALA A 25 -0.257 -4.704 -1.304 1.00 1.08 H new ATOM 0 HB1 ALA A 25 -2.041 -6.095 -0.272 1.00 1.13 H new ATOM 0 HB2 ALA A 25 -1.251 -6.999 -1.585 1.00 1.13 H new ATOM 0 HB3 ALA A 25 -0.848 -7.359 0.110 1.00 1.13 H new ATOM 367 N ALA A 26 0.818 -5.708 1.642 1.00 1.04 N ATOM 368 CA ALA A 26 1.131 -5.177 3.003 1.00 1.05 C ATOM 369 C ALA A 26 2.144 -4.034 2.869 1.00 1.02 C ATOM 370 O ALA A 26 2.001 -2.992 3.480 1.00 1.01 O ATOM 371 CB ALA A 26 1.728 -6.357 3.778 1.00 1.12 C ATOM 0 H ALA A 26 1.068 -6.685 1.489 1.00 1.04 H new ATOM 0 HA ALA A 26 0.255 -4.781 3.517 1.00 1.05 H new ATOM 0 HB1 ALA A 26 1.982 -6.037 4.789 1.00 1.12 H new ATOM 0 HB2 ALA A 26 1.000 -7.167 3.825 1.00 1.12 H new ATOM 0 HB3 ALA A 26 2.628 -6.707 3.272 1.00 1.12 H new ATOM 377 N LEU A 27 3.147 -4.213 2.040 1.00 1.05 N ATOM 378 CA LEU A 27 4.149 -3.128 1.827 1.00 1.07 C ATOM 379 C LEU A 27 3.434 -1.896 1.251 1.00 1.02 C ATOM 380 O LEU A 27 3.611 -0.787 1.725 1.00 1.01 O ATOM 381 CB LEU A 27 5.153 -3.705 0.820 1.00 1.15 C ATOM 382 CG LEU A 27 6.041 -2.587 0.268 1.00 1.23 C ATOM 383 CD1 LEU A 27 7.509 -2.990 0.395 1.00 1.45 C ATOM 384 CD2 LEU A 27 5.707 -2.351 -1.206 1.00 1.33 C ATOM 0 H LEU A 27 3.312 -5.065 1.504 1.00 1.05 H new ATOM 0 HA LEU A 27 4.648 -2.817 2.745 1.00 1.07 H new ATOM 0 HB2 LEU A 27 5.768 -4.465 1.302 1.00 1.15 H new ATOM 0 HB3 LEU A 27 4.622 -4.195 0.004 1.00 1.15 H new ATOM 0 HG LEU A 27 5.864 -1.672 0.834 1.00 1.23 H new ATOM 0 HD11 LEU A 27 8.140 -2.193 0.002 1.00 1.45 H new ATOM 0 HD12 LEU A 27 7.750 -3.160 1.444 1.00 1.45 H new ATOM 0 HD13 LEU A 27 7.685 -3.905 -0.170 1.00 1.45 H new ATOM 0 HD21 LEU A 27 6.339 -1.555 -1.599 1.00 1.33 H new ATOM 0 HD22 LEU A 27 5.883 -3.267 -1.770 1.00 1.33 H new ATOM 0 HD23 LEU A 27 4.660 -2.063 -1.300 1.00 1.33 H new ATOM 396 N GLY A 28 2.604 -2.092 0.249 1.00 1.02 N ATOM 397 CA GLY A 28 1.849 -0.945 -0.343 1.00 1.02 C ATOM 398 C GLY A 28 1.020 -0.284 0.760 1.00 0.94 C ATOM 399 O GLY A 28 1.019 0.925 0.908 1.00 0.93 O ATOM 0 H GLY A 28 2.420 -2.998 -0.182 1.00 1.02 H new ATOM 0 HA2 GLY A 28 2.539 -0.224 -0.781 1.00 1.02 H new ATOM 0 HA3 GLY A 28 1.200 -1.294 -1.146 1.00 1.02 H new ATOM 403 N ALA A 29 0.336 -1.076 1.556 1.00 0.93 N ATOM 404 CA ALA A 29 -0.472 -0.499 2.672 1.00 0.91 C ATOM 405 C ALA A 29 0.448 0.247 3.640 1.00 0.86 C ATOM 406 O ALA A 29 0.167 1.358 4.050 1.00 0.84 O ATOM 407 CB ALA A 29 -1.131 -1.701 3.354 1.00 0.98 C ATOM 0 H ALA A 29 0.305 -2.093 1.478 1.00 0.93 H new ATOM 0 HA ALA A 29 -1.217 0.217 2.325 1.00 0.91 H new ATOM 0 HB1 ALA A 29 -1.743 -1.356 4.187 1.00 0.98 H new ATOM 0 HB2 ALA A 29 -1.759 -2.228 2.636 1.00 0.98 H new ATOM 0 HB3 ALA A 29 -0.360 -2.376 3.725 1.00 0.98 H new ATOM 413 N LEU A 30 1.561 -0.351 3.978 1.00 0.89 N ATOM 414 CA LEU A 30 2.535 0.318 4.895 1.00 0.91 C ATOM 415 C LEU A 30 2.986 1.650 4.280 1.00 0.88 C ATOM 416 O LEU A 30 3.108 2.648 4.964 1.00 0.88 O ATOM 417 CB LEU A 30 3.713 -0.660 5.014 1.00 1.03 C ATOM 418 CG LEU A 30 3.456 -1.637 6.164 1.00 1.11 C ATOM 419 CD1 LEU A 30 4.338 -2.873 5.986 1.00 1.30 C ATOM 420 CD2 LEU A 30 3.799 -0.957 7.492 1.00 1.26 C ATOM 0 H LEU A 30 1.839 -1.278 3.657 1.00 0.89 H new ATOM 0 HA LEU A 30 2.107 0.544 5.872 1.00 0.91 H new ATOM 0 HB2 LEU A 30 3.840 -1.207 4.080 1.00 1.03 H new ATOM 0 HB3 LEU A 30 4.638 -0.111 5.190 1.00 1.03 H new ATOM 0 HG LEU A 30 2.407 -1.934 6.164 1.00 1.11 H new ATOM 0 HD11 LEU A 30 4.157 -3.570 6.804 1.00 1.30 H new ATOM 0 HD12 LEU A 30 4.101 -3.356 5.038 1.00 1.30 H new ATOM 0 HD13 LEU A 30 5.387 -2.575 5.989 1.00 1.30 H new ATOM 0 HD21 LEU A 30 3.617 -1.650 8.313 1.00 1.26 H new ATOM 0 HD22 LEU A 30 4.849 -0.664 7.490 1.00 1.26 H new ATOM 0 HD23 LEU A 30 3.176 -0.072 7.619 1.00 1.26 H new ATOM 432 N ILE A 31 3.207 1.674 2.986 1.00 0.90 N ATOM 433 CA ILE A 31 3.622 2.947 2.316 1.00 0.91 C ATOM 434 C ILE A 31 2.447 3.937 2.333 1.00 0.82 C ATOM 435 O ILE A 31 2.605 5.094 2.680 1.00 0.81 O ATOM 436 CB ILE A 31 3.988 2.545 0.878 1.00 1.02 C ATOM 437 CG1 ILE A 31 5.345 1.833 0.878 1.00 1.10 C ATOM 438 CG2 ILE A 31 4.073 3.791 -0.009 1.00 1.15 C ATOM 439 CD1 ILE A 31 5.542 1.105 -0.453 1.00 1.37 C ATOM 0 H ILE A 31 3.118 0.868 2.367 1.00 0.90 H new ATOM 0 HA ILE A 31 4.460 3.435 2.813 1.00 0.91 H new ATOM 0 HB ILE A 31 3.219 1.878 0.488 1.00 1.02 H new ATOM 0 HG12 ILE A 31 6.146 2.556 1.031 1.00 1.10 H new ATOM 0 HG13 ILE A 31 5.395 1.123 1.703 1.00 1.10 H new ATOM 0 HG21 ILE A 31 4.333 3.497 -1.026 1.00 1.15 H new ATOM 0 HG22 ILE A 31 3.110 4.301 -0.014 1.00 1.15 H new ATOM 0 HG23 ILE A 31 4.837 4.463 0.381 1.00 1.15 H new ATOM 0 HD11 ILE A 31 6.507 0.599 -0.452 1.00 1.37 H new ATOM 0 HD12 ILE A 31 4.748 0.371 -0.587 1.00 1.37 H new ATOM 0 HD13 ILE A 31 5.511 1.826 -1.270 1.00 1.37 H new ATOM 451 N LEU A 32 1.266 3.483 1.978 1.00 0.80 N ATOM 452 CA LEU A 32 0.074 4.390 1.990 1.00 0.77 C ATOM 453 C LEU A 32 -0.175 4.909 3.417 1.00 0.70 C ATOM 454 O LEU A 32 -0.398 6.087 3.624 1.00 0.70 O ATOM 455 CB LEU A 32 -1.097 3.520 1.507 1.00 0.83 C ATOM 456 CG LEU A 32 -1.910 4.276 0.450 1.00 1.16 C ATOM 457 CD1 LEU A 32 -1.700 3.626 -0.921 1.00 1.46 C ATOM 458 CD2 LEU A 32 -3.397 4.219 0.814 1.00 1.66 C ATOM 0 H LEU A 32 1.078 2.525 1.681 1.00 0.80 H new ATOM 0 HA LEU A 32 0.208 5.266 1.355 1.00 0.77 H new ATOM 0 HB2 LEU A 32 -0.719 2.587 1.089 1.00 0.83 H new ATOM 0 HB3 LEU A 32 -1.736 3.256 2.349 1.00 0.83 H new ATOM 0 HG LEU A 32 -1.580 5.314 0.415 1.00 1.16 H new ATOM 0 HD11 LEU A 32 -2.279 4.165 -1.671 1.00 1.46 H new ATOM 0 HD12 LEU A 32 -0.643 3.663 -1.183 1.00 1.46 H new ATOM 0 HD13 LEU A 32 -2.029 2.587 -0.886 1.00 1.46 H new ATOM 0 HD21 LEU A 32 -3.976 4.756 0.063 1.00 1.66 H new ATOM 0 HD22 LEU A 32 -3.723 3.180 0.849 1.00 1.66 H new ATOM 0 HD23 LEU A 32 -3.551 4.680 1.789 1.00 1.66 H new ATOM 470 N GLY A 33 -0.122 4.037 4.401 1.00 0.72 N ATOM 471 CA GLY A 33 -0.337 4.472 5.819 1.00 0.73 C ATOM 472 C GLY A 33 0.760 5.460 6.222 1.00 0.73 C ATOM 473 O GLY A 33 0.484 6.525 6.741 1.00 0.78 O ATOM 0 H GLY A 33 0.061 3.041 4.281 1.00 0.72 H new ATOM 0 HA2 GLY A 33 -1.317 4.938 5.923 1.00 0.73 H new ATOM 0 HA3 GLY A 33 -0.323 3.607 6.482 1.00 0.73 H new ATOM 988 N GLN A 66 -14.057 5.489 -5.962 1.00 0.44 N ATOM 989 CA GLN A 66 -14.321 5.201 -7.412 1.00 0.49 C ATOM 990 C GLN A 66 -13.075 5.545 -8.232 1.00 0.55 C ATOM 991 O GLN A 66 -12.558 4.731 -8.973 1.00 0.66 O ATOM 992 CB GLN A 66 -15.504 6.096 -7.807 1.00 0.65 C ATOM 993 CG GLN A 66 -16.608 5.245 -8.449 1.00 0.78 C ATOM 994 CD GLN A 66 -17.404 6.095 -9.442 1.00 1.39 C ATOM 995 OE1 GLN A 66 -16.891 6.487 -10.473 1.00 1.59 O ATOM 996 NE2 GLN A 66 -18.641 6.398 -9.178 1.00 2.12 N ATOM 0 HA GLN A 66 -14.551 4.151 -7.593 1.00 0.49 H new ATOM 0 HB2 GLN A 66 -15.893 6.609 -6.928 1.00 0.65 H new ATOM 0 HB3 GLN A 66 -15.173 6.865 -8.505 1.00 0.65 H new ATOM 0 HG2 GLN A 66 -16.169 4.388 -8.960 1.00 0.78 H new ATOM 0 HG3 GLN A 66 -17.271 4.852 -7.679 1.00 0.78 H new ATOM 0 HE21 GLN A 66 -19.073 6.070 -8.314 1.00 2.12 H new ATOM 0 HE22 GLN A 66 -19.179 6.963 -9.835 1.00 2.12 H new ATOM 1005 N TYR A 67 -12.576 6.742 -8.077 1.00 0.59 N ATOM 1006 CA TYR A 67 -11.341 7.149 -8.818 1.00 0.72 C ATOM 1007 C TYR A 67 -10.134 6.390 -8.258 1.00 0.69 C ATOM 1008 O TYR A 67 -9.274 5.953 -8.995 1.00 0.82 O ATOM 1009 CB TYR A 67 -11.202 8.662 -8.600 1.00 0.80 C ATOM 1010 CG TYR A 67 -11.895 9.384 -9.732 1.00 0.94 C ATOM 1011 CD1 TYR A 67 -13.272 9.632 -9.663 1.00 1.13 C ATOM 1012 CD2 TYR A 67 -11.169 9.787 -10.859 1.00 1.14 C ATOM 1013 CE1 TYR A 67 -13.918 10.286 -10.718 1.00 1.31 C ATOM 1014 CE2 TYR A 67 -11.818 10.436 -11.917 1.00 1.33 C ATOM 1015 CZ TYR A 67 -13.191 10.684 -11.845 1.00 1.33 C ATOM 1016 OH TYR A 67 -13.834 11.308 -12.890 1.00 1.57 O ATOM 0 H TYR A 67 -12.970 7.459 -7.468 1.00 0.59 H new ATOM 0 HA TYR A 67 -11.398 6.917 -9.882 1.00 0.72 H new ATOM 0 HB2 TYR A 67 -11.643 8.947 -7.645 1.00 0.80 H new ATOM 0 HB3 TYR A 67 -10.149 8.942 -8.562 1.00 0.80 H new ATOM 0 HD1 TYR A 67 -13.835 9.319 -8.796 1.00 1.13 H new ATOM 0 HD2 TYR A 67 -10.107 9.597 -10.913 1.00 1.14 H new ATOM 0 HE1 TYR A 67 -14.978 10.484 -10.662 1.00 1.31 H new ATOM 0 HE2 TYR A 67 -11.258 10.744 -12.787 1.00 1.33 H new ATOM 0 HH TYR A 67 -13.185 11.520 -13.593 1.00 1.57 H new ATOM 1026 N SER A 68 -10.088 6.212 -6.963 1.00 0.61 N ATOM 1027 CA SER A 68 -8.954 5.457 -6.337 1.00 0.68 C ATOM 1028 C SER A 68 -8.863 4.043 -6.926 1.00 0.71 C ATOM 1029 O SER A 68 -7.790 3.548 -7.187 1.00 0.88 O ATOM 1030 CB SER A 68 -9.282 5.390 -4.844 1.00 0.68 C ATOM 1031 OG SER A 68 -8.122 4.989 -4.117 1.00 0.88 O ATOM 0 H SER A 68 -10.789 6.557 -6.307 1.00 0.61 H new ATOM 0 HA SER A 68 -7.996 5.943 -6.520 1.00 0.68 H new ATOM 0 HB2 SER A 68 -9.625 6.363 -4.493 1.00 0.68 H new ATOM 0 HB3 SER A 68 -10.094 4.684 -4.671 1.00 0.68 H new ATOM 0 HG SER A 68 -8.333 4.948 -3.161 1.00 0.88 H new ATOM 1037 N ALA A 69 -9.982 3.389 -7.136 1.00 0.60 N ATOM 1038 CA ALA A 69 -9.945 2.006 -7.710 1.00 0.65 C ATOM 1039 C ALA A 69 -9.945 2.048 -9.243 1.00 0.67 C ATOM 1040 O ALA A 69 -9.159 1.377 -9.891 1.00 0.73 O ATOM 1041 CB ALA A 69 -11.209 1.317 -7.186 1.00 0.65 C ATOM 0 H ALA A 69 -10.914 3.751 -6.936 1.00 0.60 H new ATOM 0 HA ALA A 69 -9.040 1.473 -7.418 1.00 0.65 H new ATOM 0 HB1 ALA A 69 -11.251 0.296 -7.566 1.00 0.65 H new ATOM 0 HB2 ALA A 69 -11.188 1.298 -6.096 1.00 0.65 H new ATOM 0 HB3 ALA A 69 -12.089 1.866 -7.522 1.00 0.65 H new ATOM 1047 N LYS A 70 -10.817 2.830 -9.827 1.00 0.68 N ATOM 1048 CA LYS A 70 -10.872 2.908 -11.322 1.00 0.74 C ATOM 1049 C LYS A 70 -9.596 3.533 -11.894 1.00 0.71 C ATOM 1050 O LYS A 70 -9.150 3.148 -12.948 1.00 0.75 O ATOM 1051 CB LYS A 70 -12.120 3.743 -11.661 1.00 0.80 C ATOM 1052 CG LYS A 70 -11.729 5.178 -12.047 1.00 0.81 C ATOM 1053 CD LYS A 70 -12.961 5.921 -12.571 1.00 0.93 C ATOM 1054 CE LYS A 70 -13.960 6.112 -11.431 1.00 0.87 C ATOM 1055 NZ LYS A 70 -15.083 6.895 -12.019 1.00 1.45 N ATOM 0 H LYS A 70 -11.492 3.417 -9.337 1.00 0.68 H new ATOM 0 HA LYS A 70 -10.937 1.916 -11.769 1.00 0.74 H new ATOM 0 HB2 LYS A 70 -12.663 3.276 -12.483 1.00 0.80 H new ATOM 0 HB3 LYS A 70 -12.793 3.763 -10.804 1.00 0.80 H new ATOM 0 HG2 LYS A 70 -11.318 5.699 -11.182 1.00 0.81 H new ATOM 0 HG3 LYS A 70 -10.950 5.161 -12.809 1.00 0.81 H new ATOM 0 HD2 LYS A 70 -12.669 6.888 -12.980 1.00 0.93 H new ATOM 0 HD3 LYS A 70 -13.422 5.358 -13.383 1.00 0.93 H new ATOM 0 HE2 LYS A 70 -14.308 5.153 -11.048 1.00 0.87 H new ATOM 0 HE3 LYS A 70 -13.506 6.643 -10.595 1.00 0.87 H new ATOM 0 HZ1 LYS A 70 -15.923 6.806 -11.412 1.00 1.45 H new ATOM 0 HZ2 LYS A 70 -14.810 7.896 -12.088 1.00 1.45 H new ATOM 0 HZ3 LYS A 70 -15.301 6.530 -12.968 1.00 1.45 H new ATOM 1069 N GLY A 71 -9.005 4.483 -11.212 1.00 0.69 N ATOM 1070 CA GLY A 71 -7.746 5.124 -11.726 1.00 0.71 C ATOM 1071 C GLY A 71 -6.774 4.040 -12.193 1.00 0.73 C ATOM 1072 O GLY A 71 -6.463 3.956 -13.368 1.00 0.78 O ATOM 0 H GLY A 71 -9.338 4.846 -10.319 1.00 0.69 H new ATOM 0 HA2 GLY A 71 -7.979 5.798 -12.551 1.00 0.71 H new ATOM 0 HA3 GLY A 71 -7.286 5.726 -10.942 1.00 0.71 H new ATOM 1076 N PRO A 72 -6.347 3.220 -11.262 1.00 0.73 N ATOM 1077 CA PRO A 72 -5.426 2.106 -11.600 1.00 0.79 C ATOM 1078 C PRO A 72 -6.154 1.078 -12.475 1.00 0.80 C ATOM 1079 O PRO A 72 -5.652 0.673 -13.500 1.00 0.85 O ATOM 1080 CB PRO A 72 -5.043 1.528 -10.239 1.00 0.83 C ATOM 1081 CG PRO A 72 -6.163 1.915 -9.331 1.00 0.76 C ATOM 1082 CD PRO A 72 -6.670 3.243 -9.826 1.00 0.72 C ATOM 0 HA PRO A 72 -4.549 2.416 -12.169 1.00 0.79 H new ATOM 0 HB2 PRO A 72 -4.929 0.445 -10.287 1.00 0.83 H new ATOM 0 HB3 PRO A 72 -4.093 1.933 -9.890 1.00 0.83 H new ATOM 0 HG2 PRO A 72 -6.954 1.166 -9.349 1.00 0.76 H new ATOM 0 HG3 PRO A 72 -5.819 1.990 -8.300 1.00 0.76 H new ATOM 0 HD2 PRO A 72 -7.741 3.352 -9.657 1.00 0.72 H new ATOM 0 HD3 PRO A 72 -6.181 4.074 -9.318 1.00 0.72 H new ATOM 1090 N CYS A 73 -7.347 0.673 -12.095 1.00 0.78 N ATOM 1091 CA CYS A 73 -8.107 -0.314 -12.933 1.00 0.82 C ATOM 1092 C CYS A 73 -8.205 0.189 -14.379 1.00 0.85 C ATOM 1093 O CYS A 73 -8.060 -0.569 -15.329 1.00 0.91 O ATOM 1094 CB CYS A 73 -9.491 -0.409 -12.286 1.00 0.83 C ATOM 1095 SG CYS A 73 -9.454 -1.662 -10.978 1.00 0.94 S ATOM 0 H CYS A 73 -7.824 0.981 -11.247 1.00 0.78 H new ATOM 0 HA CYS A 73 -7.620 -1.288 -12.973 1.00 0.82 H new ATOM 0 HB2 CYS A 73 -9.779 0.557 -11.872 1.00 0.83 H new ATOM 0 HB3 CYS A 73 -10.238 -0.670 -13.035 1.00 0.83 H new ATOM 0 HG CYS A 73 -10.627 -1.745 -10.423 1.00 0.94 H new ATOM 1101 N VAL A 74 -8.421 1.463 -14.551 1.00 0.83 N ATOM 1102 CA VAL A 74 -8.495 2.040 -15.928 1.00 0.89 C ATOM 1103 C VAL A 74 -7.084 2.112 -16.509 1.00 0.93 C ATOM 1104 O VAL A 74 -6.848 1.706 -17.629 1.00 1.02 O ATOM 1105 CB VAL A 74 -9.106 3.439 -15.763 1.00 0.88 C ATOM 1106 CG1 VAL A 74 -8.859 4.276 -17.022 1.00 1.00 C ATOM 1107 CG2 VAL A 74 -10.614 3.311 -15.538 1.00 0.92 C ATOM 0 H VAL A 74 -8.551 2.135 -13.795 1.00 0.83 H new ATOM 0 HA VAL A 74 -9.099 1.439 -16.608 1.00 0.89 H new ATOM 0 HB VAL A 74 -8.640 3.929 -14.908 1.00 0.88 H new ATOM 0 HG11 VAL A 74 -9.297 5.266 -16.893 1.00 1.00 H new ATOM 0 HG12 VAL A 74 -7.786 4.373 -17.190 1.00 1.00 H new ATOM 0 HG13 VAL A 74 -9.318 3.786 -17.881 1.00 1.00 H new ATOM 0 HG21 VAL A 74 -11.050 4.303 -15.421 1.00 0.92 H new ATOM 0 HG22 VAL A 74 -11.069 2.814 -16.395 1.00 0.92 H new ATOM 0 HG23 VAL A 74 -10.799 2.725 -14.638 1.00 0.92 H new ATOM 1117 N GLU A 75 -6.145 2.600 -15.739 1.00 0.89 N ATOM 1118 CA GLU A 75 -4.728 2.671 -16.226 1.00 0.96 C ATOM 1119 C GLU A 75 -4.284 1.278 -16.698 1.00 1.02 C ATOM 1120 O GLU A 75 -3.678 1.123 -17.745 1.00 1.10 O ATOM 1121 CB GLU A 75 -3.913 3.131 -15.012 1.00 0.94 C ATOM 1122 CG GLU A 75 -2.412 3.042 -15.323 1.00 1.01 C ATOM 1123 CD GLU A 75 -1.739 2.078 -14.343 1.00 1.04 C ATOM 1124 OE1 GLU A 75 -1.799 0.877 -14.580 1.00 1.12 O ATOM 1125 OE2 GLU A 75 -1.170 2.550 -13.375 1.00 1.17 O ATOM 0 H GLU A 75 -6.295 2.953 -14.794 1.00 0.89 H new ATOM 0 HA GLU A 75 -4.599 3.351 -17.068 1.00 0.96 H new ATOM 0 HB2 GLU A 75 -4.179 4.156 -14.752 1.00 0.94 H new ATOM 0 HB3 GLU A 75 -4.151 2.511 -14.148 1.00 0.94 H new ATOM 0 HG2 GLU A 75 -2.263 2.699 -16.347 1.00 1.01 H new ATOM 0 HG3 GLU A 75 -1.956 4.029 -15.248 1.00 1.01 H new ATOM 1132 N ARG A 76 -4.620 0.269 -15.937 1.00 0.99 N ATOM 1133 CA ARG A 76 -4.267 -1.131 -16.320 1.00 1.06 C ATOM 1134 C ARG A 76 -4.982 -1.484 -17.624 1.00 1.09 C ATOM 1135 O ARG A 76 -4.372 -1.937 -18.576 1.00 1.19 O ATOM 1136 CB ARG A 76 -4.777 -2.014 -15.175 1.00 1.02 C ATOM 1137 CG ARG A 76 -3.615 -2.384 -14.250 1.00 1.08 C ATOM 1138 CD ARG A 76 -3.762 -1.636 -12.922 1.00 1.00 C ATOM 1139 NE ARG A 76 -2.487 -0.875 -12.761 1.00 1.01 N ATOM 1140 CZ ARG A 76 -1.646 -1.197 -11.825 1.00 1.04 C ATOM 1141 NH1 ARG A 76 -0.720 -2.065 -12.059 1.00 1.20 N ATOM 1142 NH2 ARG A 76 -1.720 -0.644 -10.660 1.00 1.00 N ATOM 0 H ARG A 76 -5.129 0.356 -15.057 1.00 0.99 H new ATOM 0 HA ARG A 76 -3.197 -1.266 -16.475 1.00 1.06 H new ATOM 0 HB2 ARG A 76 -5.548 -1.487 -14.613 1.00 1.02 H new ATOM 0 HB3 ARG A 76 -5.236 -2.917 -15.577 1.00 1.02 H new ATOM 0 HG2 ARG A 76 -3.604 -3.460 -14.075 1.00 1.08 H new ATOM 0 HG3 ARG A 76 -2.666 -2.128 -14.721 1.00 1.08 H new ATOM 0 HD2 ARG A 76 -4.621 -0.966 -12.940 1.00 1.00 H new ATOM 0 HD3 ARG A 76 -3.915 -2.329 -12.094 1.00 1.00 H new ATOM 0 HE ARG A 76 -2.276 -0.099 -13.389 1.00 1.01 H new ATOM 0 HH11 ARG A 76 -0.648 -2.499 -12.979 1.00 1.20 H new ATOM 0 HH12 ARG A 76 -0.060 -2.317 -11.323 1.00 1.20 H new ATOM 0 HH21 ARG A 76 -2.442 0.051 -10.470 1.00 1.00 H new ATOM 0 HH22 ARG A 76 -1.056 -0.902 -9.930 1.00 1.00 H new ATOM 1156 N LYS A 77 -6.274 -1.249 -17.679 1.00 1.03 N ATOM 1157 CA LYS A 77 -7.036 -1.540 -18.936 1.00 1.09 C ATOM 1158 C LYS A 77 -6.394 -0.781 -20.100 1.00 1.16 C ATOM 1159 O LYS A 77 -6.165 -1.328 -21.163 1.00 1.23 O ATOM 1160 CB LYS A 77 -8.462 -1.046 -18.672 1.00 1.04 C ATOM 1161 CG LYS A 77 -9.314 -2.218 -18.187 1.00 1.04 C ATOM 1162 CD LYS A 77 -10.612 -1.691 -17.569 1.00 0.99 C ATOM 1163 CE LYS A 77 -11.065 -2.631 -16.447 1.00 0.90 C ATOM 1164 NZ LYS A 77 -10.054 -2.473 -15.360 1.00 0.80 N ATOM 0 H LYS A 77 -6.830 -0.871 -16.912 1.00 1.03 H new ATOM 0 HA LYS A 77 -7.033 -2.598 -19.198 1.00 1.09 H new ATOM 0 HB2 LYS A 77 -8.453 -0.253 -17.925 1.00 1.04 H new ATOM 0 HB3 LYS A 77 -8.888 -0.622 -19.582 1.00 1.04 H new ATOM 0 HG2 LYS A 77 -9.540 -2.884 -19.019 1.00 1.04 H new ATOM 0 HG3 LYS A 77 -8.761 -2.803 -17.452 1.00 1.04 H new ATOM 0 HD2 LYS A 77 -10.458 -0.686 -17.175 1.00 0.99 H new ATOM 0 HD3 LYS A 77 -11.387 -1.619 -18.332 1.00 0.99 H new ATOM 0 HE2 LYS A 77 -12.063 -2.370 -16.095 1.00 0.90 H new ATOM 0 HE3 LYS A 77 -11.110 -3.663 -16.794 1.00 0.90 H new ATOM 0 HZ1 LYS A 77 -9.462 -3.326 -15.310 1.00 0.80 H new ATOM 0 HZ2 LYS A 77 -9.455 -1.647 -15.560 1.00 0.80 H new ATOM 0 HZ3 LYS A 77 -10.540 -2.336 -14.451 1.00 0.80 H new ATOM 1178 N ALA A 78 -6.073 0.468 -19.879 1.00 1.16 N ATOM 1179 CA ALA A 78 -5.406 1.289 -20.936 1.00 1.24 C ATOM 1180 C ALA A 78 -4.133 0.586 -21.396 1.00 1.32 C ATOM 1181 O ALA A 78 -3.933 0.348 -22.576 1.00 1.41 O ATOM 1182 CB ALA A 78 -5.075 2.627 -20.259 1.00 1.23 C ATOM 0 H ALA A 78 -6.246 0.960 -19.002 1.00 1.16 H new ATOM 0 HA ALA A 78 -6.034 1.433 -21.815 1.00 1.24 H new ATOM 0 HB1 ALA A 78 -4.582 3.285 -20.975 1.00 1.23 H new ATOM 0 HB2 ALA A 78 -5.995 3.095 -19.910 1.00 1.23 H new ATOM 0 HB3 ALA A 78 -4.413 2.452 -19.411 1.00 1.23 H new ATOM 1188 N LYS A 79 -3.293 0.230 -20.459 1.00 1.31 N ATOM 1189 CA LYS A 79 -2.026 -0.488 -20.798 1.00 1.41 C ATOM 1190 C LYS A 79 -2.350 -1.801 -21.529 1.00 1.45 C ATOM 1191 O LYS A 79 -1.725 -2.141 -22.514 1.00 1.56 O ATOM 1192 CB LYS A 79 -1.361 -0.788 -19.447 1.00 1.39 C ATOM 1193 CG LYS A 79 -0.577 0.438 -18.964 1.00 1.40 C ATOM 1194 CD LYS A 79 -0.589 0.483 -17.431 1.00 1.33 C ATOM 1195 CE LYS A 79 0.191 -0.709 -16.869 1.00 1.38 C ATOM 1196 NZ LYS A 79 0.020 -0.634 -15.385 1.00 1.31 N ATOM 0 H LYS A 79 -3.431 0.407 -19.464 1.00 1.31 H new ATOM 0 HA LYS A 79 -1.380 0.100 -21.450 1.00 1.41 H new ATOM 0 HB2 LYS A 79 -2.119 -1.058 -18.712 1.00 1.39 H new ATOM 0 HB3 LYS A 79 -0.692 -1.643 -19.544 1.00 1.39 H new ATOM 0 HG2 LYS A 79 0.449 0.393 -19.329 1.00 1.40 H new ATOM 0 HG3 LYS A 79 -1.020 1.348 -19.368 1.00 1.40 H new ATOM 0 HD2 LYS A 79 -0.146 1.416 -17.082 1.00 1.33 H new ATOM 0 HD3 LYS A 79 -1.616 0.462 -17.066 1.00 1.33 H new ATOM 0 HE2 LYS A 79 -0.194 -1.650 -17.261 1.00 1.38 H new ATOM 0 HE3 LYS A 79 1.244 -0.655 -17.146 1.00 1.38 H new ATOM 0 HZ1 LYS A 79 0.953 -0.554 -14.932 1.00 1.31 H new ATOM 0 HZ2 LYS A 79 -0.555 0.198 -15.143 1.00 1.31 H new ATOM 0 HZ3 LYS A 79 -0.457 -1.494 -15.047 1.00 1.31 H new ATOM 1210 N LEU A 80 -3.323 -2.536 -21.041 1.00 1.40 N ATOM 1211 CA LEU A 80 -3.701 -3.833 -21.687 1.00 1.45 C ATOM 1212 C LEU A 80 -4.255 -3.595 -23.096 1.00 1.50 C ATOM 1213 O LEU A 80 -3.698 -4.037 -24.082 1.00 1.59 O ATOM 1214 CB LEU A 80 -4.781 -4.430 -20.774 1.00 1.38 C ATOM 1215 CG LEU A 80 -4.507 -5.920 -20.552 1.00 1.97 C ATOM 1216 CD1 LEU A 80 -4.053 -6.153 -19.106 1.00 1.96 C ATOM 1217 CD2 LEU A 80 -5.786 -6.715 -20.815 1.00 2.58 C ATOM 0 H LEU A 80 -3.874 -2.291 -20.218 1.00 1.40 H new ATOM 0 HA LEU A 80 -2.845 -4.499 -21.799 1.00 1.45 H new ATOM 0 HB2 LEU A 80 -4.792 -3.907 -19.818 1.00 1.38 H new ATOM 0 HB3 LEU A 80 -5.765 -4.295 -21.223 1.00 1.38 H new ATOM 0 HG LEU A 80 -3.723 -6.248 -21.234 1.00 1.97 H new ATOM 0 HD11 LEU A 80 -3.859 -7.215 -18.952 1.00 1.96 H new ATOM 0 HD12 LEU A 80 -3.142 -5.586 -18.915 1.00 1.96 H new ATOM 0 HD13 LEU A 80 -4.835 -5.824 -18.422 1.00 1.96 H new ATOM 0 HD21 LEU A 80 -5.594 -7.776 -20.658 1.00 2.58 H new ATOM 0 HD22 LEU A 80 -6.568 -6.383 -20.132 1.00 2.58 H new ATOM 0 HD23 LEU A 80 -6.110 -6.554 -21.843 1.00 2.58 H new