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= 0.565 K(o=1.2,f=-20!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ 179:sc= 0.589! (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+ -134:sc= 0.553 (180deg=-1.53) USER MOD Single : A 79 LYS NZ :NH3+ -175:sc= 0.857 (180deg=0.641) USER MOD ----------------------------------------------------------------- ATOM 174 N VAL A 14 1.028 -21.556 -5.962 1.00 1.37 N ATOM 175 CA VAL A 14 -0.106 -20.651 -5.588 1.00 1.38 C ATOM 176 C VAL A 14 0.180 -20.019 -4.218 1.00 1.35 C ATOM 177 O VAL A 14 -0.069 -18.850 -4.001 1.00 1.35 O ATOM 178 CB VAL A 14 -1.346 -21.556 -5.534 1.00 1.48 C ATOM 179 CG1 VAL A 14 -2.496 -20.832 -4.825 1.00 1.63 C ATOM 180 CG2 VAL A 14 -1.783 -21.905 -6.959 1.00 1.61 C ATOM 0 HA VAL A 14 -0.248 -19.834 -6.296 1.00 1.38 H new ATOM 0 HB VAL A 14 -1.097 -22.464 -4.985 1.00 1.48 H new ATOM 0 HG11 VAL A 14 -3.370 -21.482 -4.792 1.00 1.63 H new ATOM 0 HG12 VAL A 14 -2.194 -20.578 -3.809 1.00 1.63 H new ATOM 0 HG13 VAL A 14 -2.742 -19.920 -5.369 1.00 1.63 H new ATOM 0 HG21 VAL A 14 -2.663 -22.547 -6.923 1.00 1.61 H new ATOM 0 HG22 VAL A 14 -2.024 -20.990 -7.500 1.00 1.61 H new ATOM 0 HG23 VAL A 14 -0.974 -22.427 -7.470 1.00 1.61 H new ATOM 190 N VAL A 15 0.729 -20.780 -3.303 1.00 1.37 N ATOM 191 CA VAL A 15 1.059 -20.209 -1.959 1.00 1.41 C ATOM 192 C VAL A 15 2.179 -19.174 -2.105 1.00 1.38 C ATOM 193 O VAL A 15 2.180 -18.141 -1.457 1.00 1.44 O ATOM 194 CB VAL A 15 1.511 -21.406 -1.104 1.00 1.46 C ATOM 195 CG1 VAL A 15 2.241 -20.906 0.147 1.00 1.59 C ATOM 196 CG2 VAL A 15 0.286 -22.220 -0.672 1.00 1.56 C ATOM 0 H VAL A 15 0.962 -21.765 -3.427 1.00 1.37 H new ATOM 0 HA VAL A 15 0.212 -19.700 -1.499 1.00 1.41 H new ATOM 0 HB VAL A 15 2.182 -22.030 -1.695 1.00 1.46 H new ATOM 0 HG11 VAL A 15 2.558 -21.758 0.748 1.00 1.59 H new ATOM 0 HG12 VAL A 15 3.115 -20.325 -0.149 1.00 1.59 H new ATOM 0 HG13 VAL A 15 1.570 -20.278 0.733 1.00 1.59 H new ATOM 0 HG21 VAL A 15 0.607 -23.067 -0.067 1.00 1.56 H new ATOM 0 HG22 VAL A 15 -0.382 -21.589 -0.087 1.00 1.56 H new ATOM 0 HG23 VAL A 15 -0.239 -22.584 -1.555 1.00 1.56 H new ATOM 206 N THR A 16 3.122 -19.435 -2.970 1.00 1.34 N ATOM 207 CA THR A 16 4.238 -18.464 -3.180 1.00 1.37 C ATOM 208 C THR A 16 3.700 -17.155 -3.761 1.00 1.37 C ATOM 209 O THR A 16 4.071 -16.081 -3.327 1.00 1.37 O ATOM 210 CB THR A 16 5.210 -19.138 -4.158 1.00 1.38 C ATOM 211 OG1 THR A 16 5.706 -20.341 -3.583 1.00 1.59 O ATOM 212 CG2 THR A 16 6.383 -18.201 -4.435 1.00 2.00 C ATOM 0 H THR A 16 3.169 -20.279 -3.541 1.00 1.34 H new ATOM 0 HA THR A 16 4.736 -18.214 -2.243 1.00 1.37 H new ATOM 0 HB THR A 16 4.687 -19.362 -5.088 1.00 1.38 H new ATOM 0 HG1 THR A 16 6.325 -20.772 -4.209 1.00 1.59 H new ATOM 0 HG21 THR A 16 7.074 -18.679 -5.130 1.00 2.00 H new ATOM 0 HG22 THR A 16 6.013 -17.274 -4.872 1.00 2.00 H new ATOM 0 HG23 THR A 16 6.901 -17.981 -3.502 1.00 2.00 H new ATOM 220 N VAL A 17 2.825 -17.227 -4.728 1.00 1.41 N ATOM 221 CA VAL A 17 2.281 -15.962 -5.314 1.00 1.45 C ATOM 222 C VAL A 17 1.328 -15.264 -4.326 1.00 1.43 C ATOM 223 O VAL A 17 1.346 -14.054 -4.232 1.00 1.45 O ATOM 224 CB VAL A 17 1.578 -16.303 -6.645 1.00 1.58 C ATOM 225 CG1 VAL A 17 2.611 -16.314 -7.773 1.00 1.98 C ATOM 226 CG2 VAL A 17 0.894 -17.668 -6.596 1.00 1.23 C ATOM 0 H VAL A 17 2.466 -18.091 -5.134 1.00 1.41 H new ATOM 0 HA VAL A 17 3.093 -15.262 -5.509 1.00 1.45 H new ATOM 0 HB VAL A 17 0.815 -15.544 -6.820 1.00 1.58 H new ATOM 0 HG11 VAL A 17 2.118 -16.555 -8.715 1.00 1.98 H new ATOM 0 HG12 VAL A 17 3.078 -15.332 -7.848 1.00 1.98 H new ATOM 0 HG13 VAL A 17 3.374 -17.063 -7.561 1.00 1.98 H new ATOM 0 HG21 VAL A 17 0.412 -17.868 -7.553 1.00 1.23 H new ATOM 0 HG22 VAL A 17 1.637 -18.440 -6.396 1.00 1.23 H new ATOM 0 HG23 VAL A 17 0.145 -17.671 -5.804 1.00 1.23 H new ATOM 236 N ILE A 18 0.521 -15.980 -3.563 1.00 1.44 N ATOM 237 CA ILE A 18 -0.367 -15.265 -2.590 1.00 1.48 C ATOM 238 C ILE A 18 0.483 -14.656 -1.475 1.00 1.43 C ATOM 239 O ILE A 18 0.192 -13.582 -0.991 1.00 1.46 O ATOM 240 CB ILE A 18 -1.377 -16.292 -2.048 1.00 1.56 C ATOM 241 CG1 ILE A 18 -0.665 -17.433 -1.316 1.00 1.52 C ATOM 242 CG2 ILE A 18 -2.202 -16.870 -3.199 1.00 1.64 C ATOM 243 CD1 ILE A 18 -1.603 -18.022 -0.260 1.00 1.92 C ATOM 0 H ILE A 18 0.443 -16.997 -3.573 1.00 1.44 H new ATOM 0 HA ILE A 18 -0.907 -14.446 -3.065 1.00 1.48 H new ATOM 0 HB ILE A 18 -2.032 -15.779 -1.343 1.00 1.56 H new ATOM 0 HG12 ILE A 18 -0.367 -18.205 -2.025 1.00 1.52 H new ATOM 0 HG13 ILE A 18 0.246 -17.065 -0.844 1.00 1.52 H new ATOM 0 HG21 ILE A 18 -2.914 -17.596 -2.807 1.00 1.64 H new ATOM 0 HG22 ILE A 18 -2.741 -16.066 -3.700 1.00 1.64 H new ATOM 0 HG23 ILE A 18 -1.539 -17.361 -3.912 1.00 1.64 H new ATOM 0 HD11 ILE A 18 -1.098 -18.835 0.262 1.00 1.92 H new ATOM 0 HD12 ILE A 18 -1.879 -17.247 0.455 1.00 1.92 H new ATOM 0 HD13 ILE A 18 -2.501 -18.405 -0.744 1.00 1.92 H new ATOM 255 N VAL A 19 1.556 -15.301 -1.099 1.00 1.41 N ATOM 256 CA VAL A 19 2.443 -14.711 -0.049 1.00 1.43 C ATOM 257 C VAL A 19 3.142 -13.484 -0.644 1.00 1.40 C ATOM 258 O VAL A 19 3.205 -12.436 -0.030 1.00 1.44 O ATOM 259 CB VAL A 19 3.451 -15.809 0.318 1.00 1.44 C ATOM 260 CG1 VAL A 19 4.608 -15.203 1.119 1.00 1.57 C ATOM 261 CG2 VAL A 19 2.761 -16.875 1.174 1.00 1.53 C ATOM 0 H VAL A 19 1.856 -16.203 -1.469 1.00 1.41 H new ATOM 0 HA VAL A 19 1.900 -14.388 0.840 1.00 1.43 H new ATOM 0 HB VAL A 19 3.834 -16.260 -0.598 1.00 1.44 H new ATOM 0 HG11 VAL A 19 5.321 -15.986 1.377 1.00 1.57 H new ATOM 0 HG12 VAL A 19 5.107 -14.442 0.519 1.00 1.57 H new ATOM 0 HG13 VAL A 19 4.221 -14.750 2.031 1.00 1.57 H new ATOM 0 HG21 VAL A 19 3.478 -17.654 1.433 1.00 1.53 H new ATOM 0 HG22 VAL A 19 2.377 -16.417 2.086 1.00 1.53 H new ATOM 0 HG23 VAL A 19 1.936 -17.314 0.613 1.00 1.53 H new ATOM 271 N ILE A 20 3.636 -13.598 -1.856 1.00 1.39 N ATOM 272 CA ILE A 20 4.295 -12.424 -2.510 1.00 1.43 C ATOM 273 C ILE A 20 3.259 -11.313 -2.702 1.00 1.42 C ATOM 274 O ILE A 20 3.499 -10.165 -2.375 1.00 1.46 O ATOM 275 CB ILE A 20 4.813 -12.935 -3.863 1.00 1.49 C ATOM 276 CG1 ILE A 20 5.964 -13.935 -3.636 1.00 1.52 C ATOM 277 CG2 ILE A 20 5.308 -11.755 -4.713 1.00 1.61 C ATOM 278 CD1 ILE A 20 7.322 -13.215 -3.637 1.00 1.70 C ATOM 0 H ILE A 20 3.611 -14.450 -2.417 1.00 1.39 H new ATOM 0 HA ILE A 20 5.111 -12.014 -1.914 1.00 1.43 H new ATOM 0 HB ILE A 20 4.001 -13.437 -4.390 1.00 1.49 H new ATOM 0 HG12 ILE A 20 5.822 -14.451 -2.686 1.00 1.52 H new ATOM 0 HG13 ILE A 20 5.950 -14.695 -4.417 1.00 1.52 H new ATOM 0 HG21 ILE A 20 5.674 -12.125 -5.671 1.00 1.61 H new ATOM 0 HG22 ILE A 20 4.487 -11.059 -4.883 1.00 1.61 H new ATOM 0 HG23 ILE A 20 6.115 -11.243 -4.190 1.00 1.61 H new ATOM 0 HD11 ILE A 20 8.119 -13.941 -3.475 1.00 1.70 H new ATOM 0 HD12 ILE A 20 7.471 -12.721 -4.597 1.00 1.70 H new ATOM 0 HD13 ILE A 20 7.341 -12.472 -2.840 1.00 1.70 H new ATOM 290 N LEU A 21 2.099 -11.653 -3.206 1.00 1.42 N ATOM 291 CA LEU A 21 1.030 -10.622 -3.396 1.00 1.46 C ATOM 292 C LEU A 21 0.623 -10.063 -2.023 1.00 1.44 C ATOM 293 O LEU A 21 0.489 -8.864 -1.855 1.00 1.46 O ATOM 294 CB LEU A 21 -0.124 -11.344 -4.132 1.00 1.55 C ATOM 295 CG LEU A 21 -1.373 -11.492 -3.248 1.00 1.61 C ATOM 296 CD1 LEU A 21 -2.116 -10.157 -3.168 1.00 1.71 C ATOM 297 CD2 LEU A 21 -2.304 -12.539 -3.863 1.00 1.70 C ATOM 0 H LEU A 21 1.845 -12.598 -3.494 1.00 1.42 H new ATOM 0 HA LEU A 21 1.351 -9.764 -3.986 1.00 1.46 H new ATOM 0 HB2 LEU A 21 -0.382 -10.788 -5.033 1.00 1.55 H new ATOM 0 HB3 LEU A 21 0.212 -12.330 -4.452 1.00 1.55 H new ATOM 0 HG LEU A 21 -1.068 -11.800 -2.248 1.00 1.61 H new ATOM 0 HD11 LEU A 21 -3.000 -10.270 -2.540 1.00 1.71 H new ATOM 0 HD12 LEU A 21 -1.459 -9.400 -2.738 1.00 1.71 H new ATOM 0 HD13 LEU A 21 -2.419 -9.849 -4.169 1.00 1.71 H new ATOM 0 HD21 LEU A 21 -3.192 -12.648 -3.240 1.00 1.70 H new ATOM 0 HD22 LEU A 21 -2.600 -12.221 -4.863 1.00 1.70 H new ATOM 0 HD23 LEU A 21 -1.785 -13.496 -3.925 1.00 1.70 H new ATOM 309 N ILE A 22 0.459 -10.909 -1.030 1.00 1.43 N ATOM 310 CA ILE A 22 0.102 -10.384 0.326 1.00 1.47 C ATOM 311 C ILE A 22 1.233 -9.479 0.824 1.00 1.42 C ATOM 312 O ILE A 22 1.000 -8.444 1.421 1.00 1.44 O ATOM 313 CB ILE A 22 -0.064 -11.620 1.226 1.00 1.54 C ATOM 314 CG1 ILE A 22 -1.455 -12.236 1.005 1.00 1.67 C ATOM 315 CG2 ILE A 22 0.083 -11.222 2.700 1.00 1.65 C ATOM 316 CD1 ILE A 22 -2.542 -11.275 1.499 1.00 1.84 C ATOM 0 H ILE A 22 0.555 -11.922 -1.099 1.00 1.43 H new ATOM 0 HA ILE A 22 -0.813 -9.791 0.321 1.00 1.47 H new ATOM 0 HB ILE A 22 0.706 -12.348 0.971 1.00 1.54 H new ATOM 0 HG12 ILE A 22 -1.602 -12.450 -0.054 1.00 1.67 H new ATOM 0 HG13 ILE A 22 -1.529 -13.185 1.536 1.00 1.67 H new ATOM 0 HG21 ILE A 22 -0.036 -12.104 3.329 1.00 1.65 H new ATOM 0 HG22 ILE A 22 1.071 -10.791 2.864 1.00 1.65 H new ATOM 0 HG23 ILE A 22 -0.681 -10.488 2.957 1.00 1.65 H new ATOM 0 HD11 ILE A 22 -3.523 -11.722 1.338 1.00 1.84 H new ATOM 0 HD12 ILE A 22 -2.401 -11.083 2.563 1.00 1.84 H new ATOM 0 HD13 ILE A 22 -2.475 -10.337 0.949 1.00 1.84 H new ATOM 328 N ALA A 23 2.458 -9.858 0.563 1.00 1.40 N ATOM 329 CA ALA A 23 3.616 -9.022 1.002 1.00 1.41 C ATOM 330 C ALA A 23 3.632 -7.680 0.254 1.00 1.38 C ATOM 331 O ALA A 23 3.703 -6.633 0.871 1.00 1.39 O ATOM 332 CB ALA A 23 4.861 -9.851 0.674 1.00 1.45 C ATOM 0 H ALA A 23 2.707 -10.712 0.064 1.00 1.40 H new ATOM 0 HA ALA A 23 3.564 -8.779 2.063 1.00 1.41 H new ATOM 0 HB1 ALA A 23 5.754 -9.299 0.969 1.00 1.45 H new ATOM 0 HB2 ALA A 23 4.822 -10.796 1.216 1.00 1.45 H new ATOM 0 HB3 ALA A 23 4.895 -10.049 -0.397 1.00 1.45 H new ATOM 338 N ILE A 24 3.547 -7.684 -1.061 1.00 1.39 N ATOM 339 CA ILE A 24 3.544 -6.380 -1.794 1.00 1.41 C ATOM 340 C ILE A 24 2.314 -5.568 -1.376 1.00 1.38 C ATOM 341 O ILE A 24 2.380 -4.363 -1.214 1.00 1.38 O ATOM 342 CB ILE A 24 3.516 -6.722 -3.293 1.00 1.48 C ATOM 343 CG1 ILE A 24 2.245 -7.495 -3.657 1.00 1.48 C ATOM 344 CG2 ILE A 24 4.736 -7.570 -3.647 1.00 1.55 C ATOM 345 CD1 ILE A 24 2.084 -7.521 -5.179 1.00 1.78 C ATOM 0 H ILE A 24 3.481 -8.518 -1.644 1.00 1.39 H new ATOM 0 HA ILE A 24 4.422 -5.775 -1.567 1.00 1.41 H new ATOM 0 HB ILE A 24 3.530 -5.789 -3.856 1.00 1.48 H new ATOM 0 HG12 ILE A 24 2.301 -8.512 -3.269 1.00 1.48 H new ATOM 0 HG13 ILE A 24 1.376 -7.025 -3.196 1.00 1.48 H new ATOM 0 HG21 ILE A 24 4.715 -7.812 -4.710 1.00 1.55 H new ATOM 0 HG22 ILE A 24 5.645 -7.013 -3.419 1.00 1.55 H new ATOM 0 HG23 ILE A 24 4.720 -8.491 -3.065 1.00 1.55 H new ATOM 0 HD11 ILE A 24 1.180 -8.071 -5.440 1.00 1.78 H new ATOM 0 HD12 ILE A 24 2.009 -6.500 -5.554 1.00 1.78 H new ATOM 0 HD13 ILE A 24 2.948 -8.010 -5.628 1.00 1.78 H new ATOM 357 N ALA A 25 1.200 -6.227 -1.161 1.00 1.41 N ATOM 358 CA ALA A 25 -0.026 -5.499 -0.714 1.00 1.45 C ATOM 359 C ALA A 25 0.217 -4.912 0.676 1.00 1.42 C ATOM 360 O ALA A 25 -0.051 -3.748 0.924 1.00 1.44 O ATOM 361 CB ALA A 25 -1.137 -6.553 -0.683 1.00 1.54 C ATOM 0 H ALA A 25 1.089 -7.234 -1.276 1.00 1.41 H new ATOM 0 HA ALA A 25 -0.292 -4.672 -1.373 1.00 1.45 H new ATOM 0 HB1 ALA A 25 -2.070 -6.089 -0.363 1.00 1.54 H new ATOM 0 HB2 ALA A 25 -1.266 -6.976 -1.679 1.00 1.54 H new ATOM 0 HB3 ALA A 25 -0.867 -7.345 0.015 1.00 1.54 H new ATOM 367 N ALA A 26 0.757 -5.696 1.573 1.00 1.43 N ATOM 368 CA ALA A 26 1.055 -5.170 2.939 1.00 1.46 C ATOM 369 C ALA A 26 2.065 -4.027 2.815 1.00 1.39 C ATOM 370 O ALA A 26 1.916 -2.990 3.431 1.00 1.40 O ATOM 371 CB ALA A 26 1.646 -6.348 3.720 1.00 1.52 C ATOM 0 H ALA A 26 1.004 -6.674 1.420 1.00 1.43 H new ATOM 0 HA ALA A 26 0.172 -4.780 3.446 1.00 1.46 H new ATOM 0 HB1 ALA A 26 1.887 -6.028 4.734 1.00 1.52 H new ATOM 0 HB2 ALA A 26 0.920 -7.160 3.759 1.00 1.52 H new ATOM 0 HB3 ALA A 26 2.552 -6.695 3.224 1.00 1.52 H new ATOM 377 N LEU A 27 3.073 -4.197 1.991 1.00 1.36 N ATOM 378 CA LEU A 27 4.070 -3.108 1.792 1.00 1.35 C ATOM 379 C LEU A 27 3.351 -1.868 1.245 1.00 1.31 C ATOM 380 O LEU A 27 3.515 -0.774 1.751 1.00 1.30 O ATOM 381 CB LEU A 27 5.068 -3.663 0.770 1.00 1.40 C ATOM 382 CG LEU A 27 6.031 -2.555 0.338 1.00 1.45 C ATOM 383 CD1 LEU A 27 7.461 -3.089 0.350 1.00 1.68 C ATOM 384 CD2 LEU A 27 5.676 -2.091 -1.074 1.00 1.59 C ATOM 0 H LEU A 27 3.244 -5.045 1.450 1.00 1.36 H new ATOM 0 HA LEU A 27 4.574 -2.813 2.713 1.00 1.35 H new ATOM 0 HB2 LEU A 27 5.625 -4.493 1.204 1.00 1.40 H new ATOM 0 HB3 LEU A 27 4.536 -4.055 -0.097 1.00 1.40 H new ATOM 0 HG LEU A 27 5.949 -1.716 1.029 1.00 1.45 H new ATOM 0 HD11 LEU A 27 8.147 -2.300 0.042 1.00 1.68 H new ATOM 0 HD12 LEU A 27 7.717 -3.420 1.356 1.00 1.68 H new ATOM 0 HD13 LEU A 27 7.542 -3.929 -0.340 1.00 1.68 H new ATOM 0 HD21 LEU A 27 6.362 -1.302 -1.381 1.00 1.59 H new ATOM 0 HD22 LEU A 27 5.757 -2.931 -1.764 1.00 1.59 H new ATOM 0 HD23 LEU A 27 4.655 -1.709 -1.086 1.00 1.59 H new ATOM 396 N GLY A 28 2.531 -2.040 0.231 1.00 1.32 N ATOM 397 CA GLY A 28 1.773 -0.882 -0.336 1.00 1.34 C ATOM 398 C GLY A 28 0.933 -0.249 0.776 1.00 1.33 C ATOM 399 O GLY A 28 0.933 0.956 0.957 1.00 1.33 O ATOM 0 H GLY A 28 2.356 -2.935 -0.226 1.00 1.32 H new ATOM 0 HA2 GLY A 28 2.462 -0.148 -0.753 1.00 1.34 H new ATOM 0 HA3 GLY A 28 1.131 -1.215 -1.151 1.00 1.34 H new ATOM 403 N ALA A 29 0.236 -1.058 1.543 1.00 1.37 N ATOM 404 CA ALA A 29 -0.583 -0.506 2.664 1.00 1.43 C ATOM 405 C ALA A 29 0.331 0.201 3.666 1.00 1.36 C ATOM 406 O ALA A 29 0.040 1.289 4.128 1.00 1.38 O ATOM 407 CB ALA A 29 -1.268 -1.718 3.301 1.00 1.54 C ATOM 0 H ALA A 29 0.201 -2.072 1.439 1.00 1.37 H new ATOM 0 HA ALA A 29 -1.316 0.227 2.327 1.00 1.43 H new ATOM 0 HB1 ALA A 29 -1.889 -1.389 4.134 1.00 1.54 H new ATOM 0 HB2 ALA A 29 -1.892 -2.215 2.558 1.00 1.54 H new ATOM 0 HB3 ALA A 29 -0.512 -2.414 3.664 1.00 1.54 H new ATOM 413 N LEU A 30 1.449 -0.398 3.974 1.00 1.34 N ATOM 414 CA LEU A 30 2.415 0.242 4.917 1.00 1.34 C ATOM 415 C LEU A 30 2.886 1.575 4.324 1.00 1.26 C ATOM 416 O LEU A 30 2.985 2.570 5.015 1.00 1.27 O ATOM 417 CB LEU A 30 3.584 -0.745 5.036 1.00 1.39 C ATOM 418 CG LEU A 30 3.314 -1.732 6.174 1.00 1.55 C ATOM 419 CD1 LEU A 30 4.106 -3.019 5.932 1.00 1.63 C ATOM 420 CD2 LEU A 30 3.755 -1.112 7.503 1.00 1.83 C ATOM 0 H LEU A 30 1.738 -1.307 3.612 1.00 1.34 H new ATOM 0 HA LEU A 30 1.977 0.452 5.893 1.00 1.34 H new ATOM 0 HB2 LEU A 30 3.714 -1.284 4.098 1.00 1.39 H new ATOM 0 HB3 LEU A 30 4.511 -0.204 5.224 1.00 1.39 H new ATOM 0 HG LEU A 30 2.248 -1.959 6.211 1.00 1.55 H new ATOM 0 HD11 LEU A 30 3.914 -3.722 6.742 1.00 1.63 H new ATOM 0 HD12 LEU A 30 3.798 -3.463 4.985 1.00 1.63 H new ATOM 0 HD13 LEU A 30 5.171 -2.789 5.896 1.00 1.63 H new ATOM 0 HD21 LEU A 30 3.563 -1.815 8.314 1.00 1.83 H new ATOM 0 HD22 LEU A 30 4.821 -0.886 7.463 1.00 1.83 H new ATOM 0 HD23 LEU A 30 3.196 -0.193 7.679 1.00 1.83 H new ATOM 432 N ILE A 31 3.147 1.604 3.037 1.00 1.22 N ATOM 433 CA ILE A 31 3.584 2.879 2.381 1.00 1.20 C ATOM 434 C ILE A 31 2.437 3.896 2.444 1.00 1.19 C ATOM 435 O ILE A 31 2.630 5.045 2.806 1.00 1.18 O ATOM 436 CB ILE A 31 3.910 2.495 0.929 1.00 1.25 C ATOM 437 CG1 ILE A 31 5.196 1.654 0.894 1.00 1.31 C ATOM 438 CG2 ILE A 31 4.106 3.760 0.083 1.00 1.32 C ATOM 439 CD1 ILE A 31 6.390 2.497 1.354 1.00 1.43 C ATOM 0 H ILE A 31 3.076 0.800 2.413 1.00 1.22 H new ATOM 0 HA ILE A 31 4.446 3.335 2.867 1.00 1.20 H new ATOM 0 HB ILE A 31 3.082 1.915 0.521 1.00 1.25 H new ATOM 0 HG12 ILE A 31 5.087 0.782 1.539 1.00 1.31 H new ATOM 0 HG13 ILE A 31 5.370 1.284 -0.116 1.00 1.31 H new ATOM 0 HG21 ILE A 31 4.337 3.478 -0.944 1.00 1.32 H new ATOM 0 HG22 ILE A 31 3.192 4.354 0.100 1.00 1.32 H new ATOM 0 HG23 ILE A 31 4.928 4.347 0.492 1.00 1.32 H new ATOM 0 HD11 ILE A 31 7.296 1.891 1.325 1.00 1.43 H new ATOM 0 HD12 ILE A 31 6.506 3.355 0.692 1.00 1.43 H new ATOM 0 HD13 ILE A 31 6.219 2.845 2.373 1.00 1.43 H new ATOM 451 N LEU A 32 1.238 3.471 2.116 1.00 1.26 N ATOM 452 CA LEU A 32 0.066 4.398 2.178 1.00 1.33 C ATOM 453 C LEU A 32 -0.128 4.889 3.621 1.00 1.33 C ATOM 454 O LEU A 32 -0.262 6.072 3.873 1.00 1.36 O ATOM 455 CB LEU A 32 -1.135 3.558 1.718 1.00 1.44 C ATOM 456 CG LEU A 32 -1.954 4.352 0.699 1.00 1.63 C ATOM 457 CD1 LEU A 32 -1.530 3.958 -0.715 1.00 1.88 C ATOM 458 CD2 LEU A 32 -3.440 4.038 0.880 1.00 1.97 C ATOM 0 H LEU A 32 1.023 2.523 1.809 1.00 1.26 H new ATOM 0 HA LEU A 32 0.196 5.282 1.554 1.00 1.33 H new ATOM 0 HB2 LEU A 32 -0.790 2.624 1.274 1.00 1.44 H new ATOM 0 HB3 LEU A 32 -1.757 3.294 2.574 1.00 1.44 H new ATOM 0 HG LEU A 32 -1.782 5.417 0.852 1.00 1.63 H new ATOM 0 HD11 LEU A 32 -2.114 4.524 -1.441 1.00 1.88 H new ATOM 0 HD12 LEU A 32 -0.471 4.177 -0.851 1.00 1.88 H new ATOM 0 HD13 LEU A 32 -1.702 2.892 -0.863 1.00 1.88 H new ATOM 0 HD21 LEU A 32 -4.023 4.604 0.153 1.00 1.97 H new ATOM 0 HD22 LEU A 32 -3.608 2.972 0.728 1.00 1.97 H new ATOM 0 HD23 LEU A 32 -3.750 4.314 1.888 1.00 1.97 H new ATOM 470 N GLY A 33 -0.126 3.987 4.571 1.00 1.36 N ATOM 471 CA GLY A 33 -0.292 4.394 6.000 1.00 1.42 C ATOM 472 C GLY A 33 0.845 5.334 6.413 1.00 1.33 C ATOM 473 O GLY A 33 0.642 6.263 7.169 1.00 1.40 O ATOM 0 H GLY A 33 -0.016 2.985 4.418 1.00 1.36 H new ATOM 0 HA2 GLY A 33 -1.253 4.891 6.136 1.00 1.42 H new ATOM 0 HA3 GLY A 33 -0.296 3.512 6.640 1.00 1.42 H new ATOM 988 N GLN A 66 21.282 -7.851 -5.157 1.00 1.98 N ATOM 989 CA GLN A 66 20.081 -8.517 -4.563 1.00 1.84 C ATOM 990 C GLN A 66 19.742 -9.756 -5.397 1.00 1.84 C ATOM 991 O GLN A 66 19.468 -10.818 -4.874 1.00 1.65 O ATOM 992 CB GLN A 66 18.960 -7.474 -4.630 1.00 2.05 C ATOM 993 CG GLN A 66 17.775 -7.932 -3.769 1.00 1.96 C ATOM 994 CD GLN A 66 16.475 -7.342 -4.322 1.00 2.25 C ATOM 995 OE1 GLN A 66 15.622 -8.065 -4.803 1.00 2.38 O ATOM 996 NE2 GLN A 66 16.283 -6.060 -4.276 1.00 2.42 N ATOM 0 HA GLN A 66 20.237 -8.847 -3.536 1.00 1.84 H new ATOM 0 HB2 GLN A 66 19.326 -6.509 -4.278 1.00 2.05 H new ATOM 0 HB3 GLN A 66 18.640 -7.336 -5.663 1.00 2.05 H new ATOM 0 HG2 GLN A 66 17.717 -9.020 -3.762 1.00 1.96 H new ATOM 0 HG3 GLN A 66 17.919 -7.614 -2.736 1.00 1.96 H new ATOM 0 HE21 GLN A 66 16.996 -5.452 -3.874 1.00 2.42 H new ATOM 0 HE22 GLN A 66 15.419 -5.660 -4.642 1.00 2.42 H new ATOM 1005 N TYR A 67 19.802 -9.625 -6.693 1.00 2.07 N ATOM 1006 CA TYR A 67 19.530 -10.788 -7.593 1.00 2.10 C ATOM 1007 C TYR A 67 20.728 -11.745 -7.559 1.00 1.97 C ATOM 1008 O TYR A 67 20.576 -12.946 -7.431 1.00 1.83 O ATOM 1009 CB TYR A 67 19.359 -10.175 -8.986 1.00 2.42 C ATOM 1010 CG TYR A 67 18.046 -10.611 -9.593 1.00 2.57 C ATOM 1011 CD1 TYR A 67 16.878 -9.885 -9.334 1.00 3.16 C ATOM 1012 CD2 TYR A 67 17.999 -11.735 -10.425 1.00 2.73 C ATOM 1013 CE1 TYR A 67 15.666 -10.280 -9.912 1.00 3.58 C ATOM 1014 CE2 TYR A 67 16.785 -12.130 -10.999 1.00 3.23 C ATOM 1015 CZ TYR A 67 15.622 -11.403 -10.743 1.00 3.52 C ATOM 1016 OH TYR A 67 14.431 -11.785 -11.315 1.00 4.16 O ATOM 0 H TYR A 67 20.030 -8.755 -7.174 1.00 2.07 H new ATOM 0 HA TYR A 67 18.650 -11.360 -7.298 1.00 2.10 H new ATOM 0 HB2 TYR A 67 19.393 -9.088 -8.919 1.00 2.42 H new ATOM 0 HB3 TYR A 67 20.184 -10.481 -9.629 1.00 2.42 H new ATOM 0 HD1 TYR A 67 16.912 -9.020 -8.688 1.00 3.16 H new ATOM 0 HD2 TYR A 67 18.899 -12.298 -10.624 1.00 2.73 H new ATOM 0 HE1 TYR A 67 14.765 -9.717 -9.716 1.00 3.58 H new ATOM 0 HE2 TYR A 67 16.749 -12.998 -11.640 1.00 3.23 H new ATOM 0 HH TYR A 67 14.573 -12.584 -11.865 1.00 4.16 H new ATOM 1026 N SER A 68 21.918 -11.208 -7.660 1.00 2.07 N ATOM 1027 CA SER A 68 23.153 -12.063 -7.626 1.00 2.05 C ATOM 1028 C SER A 68 23.226 -12.847 -6.313 1.00 1.77 C ATOM 1029 O SER A 68 23.663 -13.974 -6.292 1.00 1.76 O ATOM 1030 CB SER A 68 24.347 -11.106 -7.725 1.00 2.23 C ATOM 1031 OG SER A 68 24.303 -10.408 -8.964 1.00 2.42 O ATOM 0 H SER A 68 22.092 -10.208 -7.765 1.00 2.07 H new ATOM 0 HA SER A 68 23.148 -12.785 -8.443 1.00 2.05 H new ATOM 0 HB2 SER A 68 24.327 -10.397 -6.897 1.00 2.23 H new ATOM 0 HB3 SER A 68 25.280 -11.664 -7.644 1.00 2.23 H new ATOM 0 HG SER A 68 25.067 -9.797 -9.022 1.00 2.42 H new ATOM 1037 N ALA A 69 22.818 -12.259 -5.214 1.00 1.61 N ATOM 1038 CA ALA A 69 22.883 -12.987 -3.908 1.00 1.39 C ATOM 1039 C ALA A 69 21.644 -13.870 -3.701 1.00 1.23 C ATOM 1040 O ALA A 69 21.751 -15.022 -3.317 1.00 1.14 O ATOM 1041 CB ALA A 69 22.952 -11.892 -2.841 1.00 1.34 C ATOM 0 H ALA A 69 22.445 -11.311 -5.165 1.00 1.61 H new ATOM 0 HA ALA A 69 23.742 -13.656 -3.865 1.00 1.39 H new ATOM 0 HB1 ALA A 69 23.002 -12.349 -1.853 1.00 1.34 H new ATOM 0 HB2 ALA A 69 23.840 -11.281 -3.003 1.00 1.34 H new ATOM 0 HB3 ALA A 69 22.063 -11.264 -2.906 1.00 1.34 H new ATOM 1047 N LYS A 70 20.473 -13.341 -3.948 1.00 1.27 N ATOM 1048 CA LYS A 70 19.228 -14.156 -3.750 1.00 1.21 C ATOM 1049 C LYS A 70 19.175 -15.336 -4.730 1.00 1.22 C ATOM 1050 O LYS A 70 18.705 -16.401 -4.386 1.00 1.15 O ATOM 1051 CB LYS A 70 18.044 -13.192 -3.959 1.00 1.43 C ATOM 1052 CG LYS A 70 17.585 -13.193 -5.425 1.00 1.66 C ATOM 1053 CD LYS A 70 16.258 -12.437 -5.551 1.00 1.96 C ATOM 1054 CE LYS A 70 16.458 -10.978 -5.145 1.00 1.97 C ATOM 1055 NZ LYS A 70 15.135 -10.330 -5.368 1.00 2.37 N ATOM 0 H LYS A 70 20.321 -12.387 -4.276 1.00 1.27 H new ATOM 0 HA LYS A 70 19.199 -14.596 -2.753 1.00 1.21 H new ATOM 0 HB2 LYS A 70 17.215 -13.484 -3.314 1.00 1.43 H new ATOM 0 HB3 LYS A 70 18.336 -12.183 -3.666 1.00 1.43 H new ATOM 0 HG2 LYS A 70 18.342 -12.725 -6.054 1.00 1.66 H new ATOM 0 HG3 LYS A 70 17.466 -14.217 -5.778 1.00 1.66 H new ATOM 0 HD2 LYS A 70 15.892 -12.493 -6.576 1.00 1.96 H new ATOM 0 HD3 LYS A 70 15.502 -12.901 -4.917 1.00 1.96 H new ATOM 0 HE2 LYS A 70 16.766 -10.897 -4.103 1.00 1.97 H new ATOM 0 HE3 LYS A 70 17.235 -10.505 -5.745 1.00 1.97 H new ATOM 0 HZ1 LYS A 70 15.189 -9.328 -5.095 1.00 2.37 H new ATOM 0 HZ2 LYS A 70 14.878 -10.401 -6.373 1.00 2.37 H new ATOM 0 HZ3 LYS A 70 14.413 -10.808 -4.792 1.00 2.37 H new ATOM 1069 N GLY A 71 19.653 -15.157 -5.937 1.00 1.39 N ATOM 1070 CA GLY A 71 19.634 -16.274 -6.941 1.00 1.46 C ATOM 1071 C GLY A 71 20.202 -17.548 -6.310 1.00 1.28 C ATOM 1072 O GLY A 71 19.491 -18.523 -6.141 1.00 1.18 O ATOM 0 H GLY A 71 20.058 -14.283 -6.274 1.00 1.39 H new ATOM 0 HA2 GLY A 71 18.614 -16.450 -7.283 1.00 1.46 H new ATOM 0 HA3 GLY A 71 20.221 -15.998 -7.817 1.00 1.46 H new ATOM 1076 N PRO A 72 21.465 -17.497 -5.957 1.00 1.30 N ATOM 1077 CA PRO A 72 22.121 -18.666 -5.315 1.00 1.26 C ATOM 1078 C PRO A 72 21.505 -18.928 -3.931 1.00 1.04 C ATOM 1079 O PRO A 72 21.326 -20.066 -3.542 1.00 1.02 O ATOM 1080 CB PRO A 72 23.588 -18.250 -5.221 1.00 1.46 C ATOM 1081 CG PRO A 72 23.558 -16.758 -5.240 1.00 1.47 C ATOM 1082 CD PRO A 72 22.394 -16.372 -6.113 1.00 1.46 C ATOM 0 HA PRO A 72 21.997 -19.596 -5.870 1.00 1.26 H new ATOM 0 HB2 PRO A 72 24.049 -18.626 -4.307 1.00 1.46 H new ATOM 0 HB3 PRO A 72 24.167 -18.646 -6.056 1.00 1.46 H new ATOM 0 HG2 PRO A 72 23.439 -16.358 -4.233 1.00 1.47 H new ATOM 0 HG3 PRO A 72 24.491 -16.355 -5.634 1.00 1.47 H new ATOM 0 HD2 PRO A 72 21.945 -15.432 -5.792 1.00 1.46 H new ATOM 0 HD3 PRO A 72 22.697 -16.242 -7.152 1.00 1.46 H new ATOM 1090 N CYS A 73 21.156 -17.897 -3.194 1.00 0.96 N ATOM 1091 CA CYS A 73 20.526 -18.127 -1.855 1.00 0.89 C ATOM 1092 C CYS A 73 19.197 -18.869 -2.033 1.00 0.85 C ATOM 1093 O CYS A 73 18.918 -19.840 -1.351 1.00 0.89 O ATOM 1094 CB CYS A 73 20.297 -16.735 -1.256 1.00 0.91 C ATOM 1095 SG CYS A 73 20.327 -16.848 0.551 1.00 1.41 S ATOM 0 H CYS A 73 21.279 -16.920 -3.458 1.00 0.96 H new ATOM 0 HA CYS A 73 21.153 -18.735 -1.203 1.00 0.89 H new ATOM 0 HB2 CYS A 73 21.068 -16.047 -1.602 1.00 0.91 H new ATOM 0 HB3 CYS A 73 19.340 -16.335 -1.591 1.00 0.91 H new ATOM 0 HG CYS A 73 20.135 -15.668 1.063 1.00 1.41 H new ATOM 1101 N VAL A 74 18.391 -18.433 -2.964 1.00 0.90 N ATOM 1102 CA VAL A 74 17.086 -19.119 -3.218 1.00 0.99 C ATOM 1103 C VAL A 74 17.349 -20.499 -3.816 1.00 0.90 C ATOM 1104 O VAL A 74 16.804 -21.490 -3.369 1.00 0.94 O ATOM 1105 CB VAL A 74 16.326 -18.217 -4.199 1.00 1.20 C ATOM 1106 CG1 VAL A 74 15.130 -18.974 -4.784 1.00 1.40 C ATOM 1107 CG2 VAL A 74 15.812 -16.978 -3.460 1.00 1.38 C ATOM 0 H VAL A 74 18.579 -17.629 -3.563 1.00 0.90 H new ATOM 0 HA VAL A 74 16.506 -19.270 -2.308 1.00 0.99 H new ATOM 0 HB VAL A 74 17.000 -17.920 -5.002 1.00 1.20 H new ATOM 0 HG11 VAL A 74 14.595 -18.327 -5.480 1.00 1.40 H new ATOM 0 HG12 VAL A 74 15.483 -19.861 -5.311 1.00 1.40 H new ATOM 0 HG13 VAL A 74 14.460 -19.274 -3.978 1.00 1.40 H new ATOM 0 HG21 VAL A 74 15.272 -16.337 -4.157 1.00 1.38 H new ATOM 0 HG22 VAL A 74 15.143 -17.285 -2.656 1.00 1.38 H new ATOM 0 HG23 VAL A 74 16.655 -16.429 -3.040 1.00 1.38 H new ATOM 1117 N GLU A 75 18.203 -20.573 -4.804 1.00 0.88 N ATOM 1118 CA GLU A 75 18.526 -21.903 -5.410 1.00 0.86 C ATOM 1119 C GLU A 75 19.056 -22.843 -4.322 1.00 0.82 C ATOM 1120 O GLU A 75 18.710 -24.009 -4.270 1.00 0.84 O ATOM 1121 CB GLU A 75 19.601 -21.632 -6.469 1.00 1.03 C ATOM 1122 CG GLU A 75 19.716 -22.851 -7.400 1.00 1.13 C ATOM 1123 CD GLU A 75 21.126 -22.937 -7.988 1.00 1.30 C ATOM 1124 OE1 GLU A 75 21.571 -21.962 -8.578 1.00 1.50 O ATOM 1125 OE2 GLU A 75 21.733 -23.989 -7.857 1.00 1.46 O ATOM 0 H GLU A 75 18.689 -19.777 -5.216 1.00 0.88 H new ATOM 0 HA GLU A 75 17.652 -22.378 -5.856 1.00 0.86 H new ATOM 0 HB2 GLU A 75 19.344 -20.743 -7.045 1.00 1.03 H new ATOM 0 HB3 GLU A 75 20.559 -21.435 -5.989 1.00 1.03 H new ATOM 0 HG2 GLU A 75 19.489 -23.762 -6.847 1.00 1.13 H new ATOM 0 HG3 GLU A 75 18.983 -22.774 -8.203 1.00 1.13 H new ATOM 1132 N ARG A 76 19.874 -22.332 -3.438 1.00 0.88 N ATOM 1133 CA ARG A 76 20.414 -23.175 -2.331 1.00 1.04 C ATOM 1134 C ARG A 76 19.268 -23.607 -1.413 1.00 1.08 C ATOM 1135 O ARG A 76 19.171 -24.754 -1.027 1.00 1.21 O ATOM 1136 CB ARG A 76 21.408 -22.287 -1.578 1.00 1.16 C ATOM 1137 CG ARG A 76 22.199 -23.140 -0.573 1.00 1.47 C ATOM 1138 CD ARG A 76 22.596 -22.287 0.634 1.00 1.64 C ATOM 1139 NE ARG A 76 24.013 -21.892 0.373 1.00 1.87 N ATOM 1140 CZ ARG A 76 24.339 -20.638 0.315 1.00 1.91 C ATOM 1141 NH1 ARG A 76 24.074 -19.953 -0.748 1.00 2.53 N ATOM 1142 NH2 ARG A 76 24.926 -20.078 1.324 1.00 1.93 N ATOM 0 H ARG A 76 20.192 -21.363 -3.436 1.00 0.88 H new ATOM 0 HA ARG A 76 20.898 -24.080 -2.698 1.00 1.04 H new ATOM 0 HB2 ARG A 76 22.090 -21.809 -2.281 1.00 1.16 H new ATOM 0 HB3 ARG A 76 20.878 -21.490 -1.057 1.00 1.16 H new ATOM 0 HG2 ARG A 76 21.596 -23.988 -0.248 1.00 1.47 H new ATOM 0 HG3 ARG A 76 23.090 -23.547 -1.050 1.00 1.47 H new ATOM 0 HD2 ARG A 76 21.953 -21.412 0.729 1.00 1.64 H new ATOM 0 HD3 ARG A 76 22.507 -22.850 1.563 1.00 1.64 H new ATOM 0 HE ARG A 76 24.725 -22.610 0.240 1.00 1.87 H new ATOM 0 HH11 ARG A 76 23.609 -20.399 -1.539 1.00 2.53 H new ATOM 0 HH12 ARG A 76 24.329 -18.967 -0.796 1.00 2.53 H new ATOM 0 HH21 ARG A 76 25.131 -20.623 2.162 1.00 1.93 H new ATOM 0 HH22 ARG A 76 25.184 -19.092 1.281 1.00 1.93 H new ATOM 1156 N LYS A 77 18.386 -22.699 -1.077 1.00 1.07 N ATOM 1157 CA LYS A 77 17.235 -23.067 -0.203 1.00 1.25 C ATOM 1158 C LYS A 77 16.317 -24.051 -0.940 1.00 1.23 C ATOM 1159 O LYS A 77 15.800 -24.989 -0.353 1.00 1.41 O ATOM 1160 CB LYS A 77 16.516 -21.749 0.102 1.00 1.32 C ATOM 1161 CG LYS A 77 16.856 -21.302 1.524 1.00 1.56 C ATOM 1162 CD LYS A 77 15.642 -21.491 2.435 1.00 1.69 C ATOM 1163 CE LYS A 77 15.567 -22.946 2.911 1.00 2.65 C ATOM 1164 NZ LYS A 77 14.683 -23.651 1.933 1.00 2.65 N ATOM 0 H LYS A 77 18.415 -21.722 -1.370 1.00 1.07 H new ATOM 0 HA LYS A 77 17.549 -23.561 0.717 1.00 1.25 H new ATOM 0 HB2 LYS A 77 16.817 -20.984 -0.613 1.00 1.32 H new ATOM 0 HB3 LYS A 77 15.439 -21.877 -0.003 1.00 1.32 H new ATOM 0 HG2 LYS A 77 17.699 -21.879 1.904 1.00 1.56 H new ATOM 0 HG3 LYS A 77 17.161 -20.255 1.522 1.00 1.56 H new ATOM 0 HD2 LYS A 77 15.713 -20.822 3.293 1.00 1.69 H new ATOM 0 HD3 LYS A 77 14.730 -21.227 1.899 1.00 1.69 H new ATOM 0 HE2 LYS A 77 16.558 -23.399 2.940 1.00 2.65 H new ATOM 0 HE3 LYS A 77 15.160 -23.006 3.920 1.00 2.65 H new ATOM 0 HZ1 LYS A 77 13.995 -24.237 2.447 1.00 2.65 H new ATOM 0 HZ2 LYS A 77 14.177 -22.950 1.354 1.00 2.65 H new ATOM 0 HZ3 LYS A 77 15.261 -24.257 1.316 1.00 2.65 H new ATOM 1178 N ALA A 78 16.126 -23.849 -2.217 1.00 1.06 N ATOM 1179 CA ALA A 78 15.259 -24.773 -3.013 1.00 1.08 C ATOM 1180 C ALA A 78 15.923 -26.146 -3.130 1.00 1.03 C ATOM 1181 O ALA A 78 15.323 -27.167 -2.845 1.00 1.15 O ATOM 1182 CB ALA A 78 15.133 -24.116 -4.391 1.00 1.05 C ATOM 0 H ALA A 78 16.535 -23.080 -2.748 1.00 1.06 H new ATOM 0 HA ALA A 78 14.285 -24.929 -2.549 1.00 1.08 H new ATOM 0 HB1 ALA A 78 14.509 -24.737 -5.034 1.00 1.05 H new ATOM 0 HB2 ALA A 78 14.678 -23.131 -4.284 1.00 1.05 H new ATOM 0 HB3 ALA A 78 16.122 -24.012 -4.836 1.00 1.05 H new ATOM 1188 N LYS A 79 17.166 -26.170 -3.535 1.00 0.93 N ATOM 1189 CA LYS A 79 17.893 -27.474 -3.665 1.00 1.00 C ATOM 1190 C LYS A 79 18.071 -28.122 -2.278 1.00 1.24 C ATOM 1191 O LYS A 79 18.077 -29.330 -2.152 1.00 1.40 O ATOM 1192 CB LYS A 79 19.238 -27.132 -4.338 1.00 1.03 C ATOM 1193 CG LYS A 79 20.281 -26.703 -3.301 1.00 1.21 C ATOM 1194 CD LYS A 79 21.647 -26.553 -3.986 1.00 1.34 C ATOM 1195 CE LYS A 79 21.637 -25.326 -4.906 1.00 1.18 C ATOM 1196 NZ LYS A 79 21.989 -25.846 -6.262 1.00 1.56 N ATOM 0 H LYS A 79 17.712 -25.344 -3.782 1.00 0.93 H new ATOM 0 HA LYS A 79 17.347 -28.204 -4.263 1.00 1.00 H new ATOM 0 HB2 LYS A 79 19.603 -27.999 -4.889 1.00 1.03 H new ATOM 0 HB3 LYS A 79 19.092 -26.332 -5.064 1.00 1.03 H new ATOM 0 HG2 LYS A 79 19.987 -25.760 -2.841 1.00 1.21 H new ATOM 0 HG3 LYS A 79 20.341 -27.442 -2.502 1.00 1.21 H new ATOM 0 HD2 LYS A 79 22.431 -26.449 -3.235 1.00 1.34 H new ATOM 0 HD3 LYS A 79 21.875 -27.449 -4.563 1.00 1.34 H new ATOM 0 HE2 LYS A 79 20.658 -24.846 -4.911 1.00 1.18 H new ATOM 0 HE3 LYS A 79 22.357 -24.579 -4.572 1.00 1.18 H new ATOM 0 HZ1 LYS A 79 22.084 -25.050 -6.925 1.00 1.56 H new ATOM 0 HZ2 LYS A 79 22.889 -26.364 -6.212 1.00 1.56 H new ATOM 0 HZ3 LYS A 79 21.239 -26.486 -6.594 1.00 1.56 H new ATOM 1210 N LEU A 80 18.188 -27.327 -1.237 1.00 1.32 N ATOM 1211 CA LEU A 80 18.330 -27.894 0.139 1.00 1.62 C ATOM 1212 C LEU A 80 16.960 -28.384 0.648 1.00 1.75 C ATOM 1213 O LEU A 80 16.879 -29.283 1.462 1.00 1.99 O ATOM 1214 CB LEU A 80 18.868 -26.739 0.997 1.00 1.69 C ATOM 1215 CG LEU A 80 19.160 -27.229 2.422 1.00 2.03 C ATOM 1216 CD1 LEU A 80 20.670 -27.284 2.648 1.00 2.33 C ATOM 1217 CD2 LEU A 80 18.544 -26.259 3.431 1.00 2.26 C ATOM 0 H LEU A 80 18.191 -26.308 -1.285 1.00 1.32 H new ATOM 0 HA LEU A 80 19.000 -28.753 0.172 1.00 1.62 H new ATOM 0 HB2 LEU A 80 19.777 -26.337 0.550 1.00 1.69 H new ATOM 0 HB3 LEU A 80 18.140 -25.928 1.025 1.00 1.69 H new ATOM 0 HG LEU A 80 18.732 -28.223 2.553 1.00 2.03 H new ATOM 0 HD11 LEU A 80 20.874 -27.632 3.661 1.00 2.33 H new ATOM 0 HD12 LEU A 80 21.121 -27.970 1.931 1.00 2.33 H new ATOM 0 HD13 LEU A 80 21.094 -26.289 2.514 1.00 2.33 H new ATOM 0 HD21 LEU A 80 18.751 -26.607 4.443 1.00 2.26 H new ATOM 0 HD22 LEU A 80 18.975 -25.268 3.293 1.00 2.26 H new ATOM 0 HD23 LEU A 80 17.466 -26.210 3.278 1.00 2.26 H new