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= 1.03 K(o=1.6,f=-18!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ 175:sc= 0.537! (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0298 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+ 144:sc= 0.826 (180deg=0.656) USER MOD Single : A 79 LYS NZ :NH3+ -106:sc= 0.978 (180deg=-1.22!) USER MOD ----------------------------------------------------------------- ATOM 174 N VAL A 14 0.898 -21.500 -5.972 1.00 1.75 N ATOM 175 CA VAL A 14 -0.232 -20.662 -5.462 1.00 1.80 C ATOM 176 C VAL A 14 0.159 -20.055 -4.105 1.00 1.88 C ATOM 177 O VAL A 14 -0.136 -18.912 -3.821 1.00 1.89 O ATOM 178 CB VAL A 14 -1.413 -21.631 -5.317 1.00 1.92 C ATOM 179 CG1 VAL A 14 -2.515 -20.993 -4.466 1.00 2.11 C ATOM 180 CG2 VAL A 14 -1.974 -21.961 -6.704 1.00 1.91 C ATOM 0 HA VAL A 14 -0.482 -19.833 -6.124 1.00 1.80 H new ATOM 0 HB VAL A 14 -1.067 -22.543 -4.831 1.00 1.92 H new ATOM 0 HG11 VAL A 14 -3.349 -21.689 -4.369 1.00 2.11 H new ATOM 0 HG12 VAL A 14 -2.121 -20.759 -3.477 1.00 2.11 H new ATOM 0 HG13 VAL A 14 -2.861 -20.077 -4.945 1.00 2.11 H new ATOM 0 HG21 VAL A 14 -2.813 -22.649 -6.603 1.00 1.91 H new ATOM 0 HG22 VAL A 14 -2.313 -21.044 -7.187 1.00 1.91 H new ATOM 0 HG23 VAL A 14 -1.196 -22.424 -7.310 1.00 1.91 H new ATOM 190 N VAL A 15 0.840 -20.805 -3.276 1.00 1.98 N ATOM 191 CA VAL A 15 1.266 -20.258 -1.951 1.00 2.13 C ATOM 192 C VAL A 15 2.320 -19.170 -2.146 1.00 2.05 C ATOM 193 O VAL A 15 2.239 -18.103 -1.568 1.00 2.08 O ATOM 194 CB VAL A 15 1.854 -21.450 -1.181 1.00 2.33 C ATOM 195 CG1 VAL A 15 2.648 -20.945 0.028 1.00 2.54 C ATOM 196 CG2 VAL A 15 0.723 -22.356 -0.692 1.00 2.48 C ATOM 0 H VAL A 15 1.119 -21.769 -3.458 1.00 1.98 H new ATOM 0 HA VAL A 15 0.435 -19.805 -1.411 1.00 2.13 H new ATOM 0 HB VAL A 15 2.513 -22.010 -1.844 1.00 2.33 H new ATOM 0 HG11 VAL A 15 3.063 -21.794 0.571 1.00 2.54 H new ATOM 0 HG12 VAL A 15 3.459 -20.301 -0.312 1.00 2.54 H new ATOM 0 HG13 VAL A 15 1.988 -20.381 0.687 1.00 2.54 H new ATOM 0 HG21 VAL A 15 1.144 -23.201 -0.146 1.00 2.48 H new ATOM 0 HG22 VAL A 15 0.063 -21.791 -0.034 1.00 2.48 H new ATOM 0 HG23 VAL A 15 0.155 -22.723 -1.547 1.00 2.48 H new ATOM 206 N THR A 16 3.308 -19.434 -2.954 1.00 2.01 N ATOM 207 CA THR A 16 4.378 -18.422 -3.187 1.00 2.02 C ATOM 208 C THR A 16 3.795 -17.132 -3.773 1.00 1.86 C ATOM 209 O THR A 16 4.208 -16.040 -3.424 1.00 1.90 O ATOM 210 CB THR A 16 5.383 -19.084 -4.152 1.00 2.07 C ATOM 211 OG1 THR A 16 4.722 -19.744 -5.230 1.00 1.95 O ATOM 212 CG2 THR A 16 6.209 -20.113 -3.383 1.00 2.35 C ATOM 0 H THR A 16 3.422 -20.309 -3.465 1.00 2.01 H new ATOM 0 HA THR A 16 4.866 -18.132 -2.257 1.00 2.02 H new ATOM 0 HB THR A 16 6.019 -18.301 -4.565 1.00 2.07 H new ATOM 0 HG1 THR A 16 5.388 -20.151 -5.823 1.00 1.95 H new ATOM 0 HG21 THR A 16 6.922 -20.586 -4.059 1.00 2.35 H new ATOM 0 HG22 THR A 16 6.748 -19.617 -2.576 1.00 2.35 H new ATOM 0 HG23 THR A 16 5.547 -20.872 -2.965 1.00 2.35 H new ATOM 220 N VAL A 17 2.829 -17.237 -4.643 1.00 1.75 N ATOM 221 CA VAL A 17 2.232 -16.006 -5.228 1.00 1.69 C ATOM 222 C VAL A 17 1.292 -15.318 -4.227 1.00 1.72 C ATOM 223 O VAL A 17 1.270 -14.106 -4.154 1.00 1.73 O ATOM 224 CB VAL A 17 1.493 -16.448 -6.499 1.00 1.68 C ATOM 225 CG1 VAL A 17 2.486 -17.093 -7.467 1.00 1.74 C ATOM 226 CG2 VAL A 17 0.392 -17.456 -6.170 1.00 1.70 C ATOM 0 H VAL A 17 2.430 -18.116 -4.972 1.00 1.75 H new ATOM 0 HA VAL A 17 2.997 -15.268 -5.468 1.00 1.69 H new ATOM 0 HB VAL A 17 1.038 -15.568 -6.954 1.00 1.68 H new ATOM 0 HG11 VAL A 17 1.962 -17.407 -8.370 1.00 1.74 H new ATOM 0 HG12 VAL A 17 3.260 -16.371 -7.729 1.00 1.74 H new ATOM 0 HG13 VAL A 17 2.945 -17.961 -6.993 1.00 1.74 H new ATOM 0 HG21 VAL A 17 -0.116 -17.753 -7.088 1.00 1.70 H new ATOM 0 HG22 VAL A 17 0.832 -18.335 -5.699 1.00 1.70 H new ATOM 0 HG23 VAL A 17 -0.327 -17.000 -5.489 1.00 1.70 H new ATOM 236 N ILE A 18 0.530 -16.050 -3.436 1.00 1.80 N ATOM 237 CA ILE A 18 -0.362 -15.354 -2.459 1.00 1.93 C ATOM 238 C ILE A 18 0.467 -14.717 -1.349 1.00 1.99 C ATOM 239 O ILE A 18 0.187 -13.613 -0.931 1.00 2.04 O ATOM 240 CB ILE A 18 -1.344 -16.402 -1.909 1.00 2.10 C ATOM 241 CG1 ILE A 18 -0.596 -17.538 -1.203 1.00 2.18 C ATOM 242 CG2 ILE A 18 -2.187 -16.976 -3.052 1.00 2.08 C ATOM 243 CD1 ILE A 18 -1.595 -18.415 -0.445 1.00 2.46 C ATOM 0 H ILE A 18 0.491 -17.069 -3.427 1.00 1.80 H new ATOM 0 HA ILE A 18 -0.917 -14.547 -2.937 1.00 1.93 H new ATOM 0 HB ILE A 18 -1.994 -15.912 -1.184 1.00 2.10 H new ATOM 0 HG12 ILE A 18 -0.051 -18.137 -1.933 1.00 2.18 H new ATOM 0 HG13 ILE A 18 0.141 -17.128 -0.512 1.00 2.18 H new ATOM 0 HG21 ILE A 18 -2.880 -17.718 -2.656 1.00 2.08 H new ATOM 0 HG22 ILE A 18 -2.748 -16.173 -3.529 1.00 2.08 H new ATOM 0 HG23 ILE A 18 -1.533 -17.447 -3.786 1.00 2.08 H new ATOM 0 HD11 ILE A 18 -1.062 -19.223 0.057 1.00 2.46 H new ATOM 0 HD12 ILE A 18 -2.120 -17.812 0.295 1.00 2.46 H new ATOM 0 HD13 ILE A 18 -2.315 -18.836 -1.147 1.00 2.46 H new ATOM 255 N VAL A 19 1.503 -15.365 -0.889 1.00 2.05 N ATOM 256 CA VAL A 19 2.342 -14.733 0.166 1.00 2.18 C ATOM 257 C VAL A 19 3.088 -13.539 -0.446 1.00 2.06 C ATOM 258 O VAL A 19 3.182 -12.489 0.161 1.00 2.11 O ATOM 259 CB VAL A 19 3.307 -15.814 0.681 1.00 2.35 C ATOM 260 CG1 VAL A 19 2.515 -16.983 1.272 1.00 2.49 C ATOM 261 CG2 VAL A 19 4.198 -16.331 -0.450 1.00 2.24 C ATOM 0 H VAL A 19 1.801 -16.292 -1.194 1.00 2.05 H new ATOM 0 HA VAL A 19 1.749 -14.356 0.999 1.00 2.18 H new ATOM 0 HB VAL A 19 3.936 -15.368 1.451 1.00 2.35 H new ATOM 0 HG11 VAL A 19 3.206 -17.744 1.634 1.00 2.49 H new ATOM 0 HG12 VAL A 19 1.902 -16.626 2.099 1.00 2.49 H new ATOM 0 HG13 VAL A 19 1.872 -17.413 0.503 1.00 2.49 H new ATOM 0 HG21 VAL A 19 4.872 -17.095 -0.062 1.00 2.24 H new ATOM 0 HG22 VAL A 19 3.576 -16.761 -1.235 1.00 2.24 H new ATOM 0 HG23 VAL A 19 4.781 -15.506 -0.860 1.00 2.24 H new ATOM 271 N ILE A 20 3.576 -13.666 -1.664 1.00 1.94 N ATOM 272 CA ILE A 20 4.262 -12.504 -2.309 1.00 1.90 C ATOM 273 C ILE A 20 3.233 -11.396 -2.543 1.00 1.82 C ATOM 274 O ILE A 20 3.452 -10.247 -2.206 1.00 1.84 O ATOM 275 CB ILE A 20 4.826 -13.042 -3.632 1.00 1.88 C ATOM 276 CG1 ILE A 20 6.069 -13.889 -3.341 1.00 2.05 C ATOM 277 CG2 ILE A 20 5.206 -11.886 -4.566 1.00 1.92 C ATOM 278 CD1 ILE A 20 7.155 -13.025 -2.687 1.00 2.26 C ATOM 0 H ILE A 20 3.528 -14.514 -2.229 1.00 1.94 H new ATOM 0 HA ILE A 20 5.061 -12.082 -1.699 1.00 1.90 H new ATOM 0 HB ILE A 20 4.064 -13.649 -4.120 1.00 1.88 H new ATOM 0 HG12 ILE A 20 5.808 -14.718 -2.683 1.00 2.05 H new ATOM 0 HG13 ILE A 20 6.447 -14.323 -4.266 1.00 2.05 H new ATOM 0 HG21 ILE A 20 5.604 -12.287 -5.498 1.00 1.92 H new ATOM 0 HG22 ILE A 20 4.322 -11.284 -4.778 1.00 1.92 H new ATOM 0 HG23 ILE A 20 5.962 -11.264 -4.087 1.00 1.92 H new ATOM 0 HD11 ILE A 20 8.034 -13.637 -2.484 1.00 2.26 H new ATOM 0 HD12 ILE A 20 7.427 -12.211 -3.359 1.00 2.26 H new ATOM 0 HD13 ILE A 20 6.777 -12.612 -1.752 1.00 2.26 H new ATOM 290 N LEU A 21 2.097 -11.748 -3.088 1.00 1.76 N ATOM 291 CA LEU A 21 1.023 -10.729 -3.315 1.00 1.79 C ATOM 292 C LEU A 21 0.639 -10.106 -1.968 1.00 1.88 C ATOM 293 O LEU A 21 0.590 -8.897 -1.824 1.00 1.91 O ATOM 294 CB LEU A 21 -0.155 -11.504 -3.916 1.00 1.84 C ATOM 295 CG LEU A 21 0.029 -11.621 -5.429 1.00 1.88 C ATOM 296 CD1 LEU A 21 -0.878 -12.728 -5.965 1.00 1.91 C ATOM 297 CD2 LEU A 21 -0.344 -10.295 -6.090 1.00 2.10 C ATOM 0 H LEU A 21 1.865 -12.695 -3.386 1.00 1.76 H new ATOM 0 HA LEU A 21 1.336 -9.921 -3.976 1.00 1.79 H new ATOM 0 HB2 LEU A 21 -0.217 -12.496 -3.469 1.00 1.84 H new ATOM 0 HB3 LEU A 21 -1.092 -10.994 -3.691 1.00 1.84 H new ATOM 0 HG LEU A 21 1.069 -11.860 -5.653 1.00 1.88 H new ATOM 0 HD11 LEU A 21 -0.749 -12.814 -7.044 1.00 1.91 H new ATOM 0 HD12 LEU A 21 -0.616 -13.674 -5.492 1.00 1.91 H new ATOM 0 HD13 LEU A 21 -1.917 -12.487 -5.742 1.00 1.91 H new ATOM 0 HD21 LEU A 21 -0.213 -10.377 -7.169 1.00 2.10 H new ATOM 0 HD22 LEU A 21 -1.384 -10.057 -5.867 1.00 2.10 H new ATOM 0 HD23 LEU A 21 0.299 -9.503 -5.706 1.00 2.10 H new ATOM 309 N ILE A 22 0.395 -10.929 -0.971 1.00 1.98 N ATOM 310 CA ILE A 22 0.047 -10.388 0.382 1.00 2.16 C ATOM 311 C ILE A 22 1.164 -9.452 0.855 1.00 2.14 C ATOM 312 O ILE A 22 0.914 -8.372 1.358 1.00 2.21 O ATOM 313 CB ILE A 22 -0.077 -11.617 1.295 1.00 2.33 C ATOM 314 CG1 ILE A 22 -1.457 -12.252 1.106 1.00 2.47 C ATOM 315 CG2 ILE A 22 0.087 -11.208 2.763 1.00 2.55 C ATOM 316 CD1 ILE A 22 -1.454 -13.666 1.691 1.00 2.64 C ATOM 0 H ILE A 22 0.422 -11.946 -1.037 1.00 1.98 H new ATOM 0 HA ILE A 22 -0.877 -9.810 0.382 1.00 2.16 H new ATOM 0 HB ILE A 22 0.704 -12.331 1.032 1.00 2.33 H new ATOM 0 HG12 ILE A 22 -2.218 -11.646 1.597 1.00 2.47 H new ATOM 0 HG13 ILE A 22 -1.711 -12.286 0.047 1.00 2.47 H new ATOM 0 HG21 ILE A 22 -0.003 -12.089 3.398 1.00 2.55 H new ATOM 0 HG22 ILE A 22 1.068 -10.756 2.907 1.00 2.55 H new ATOM 0 HG23 ILE A 22 -0.687 -10.488 3.029 1.00 2.55 H new ATOM 0 HD11 ILE A 22 -2.437 -14.118 1.556 1.00 2.64 H new ATOM 0 HD12 ILE A 22 -0.704 -14.270 1.180 1.00 2.64 H new ATOM 0 HD13 ILE A 22 -1.219 -13.619 2.754 1.00 2.64 H new ATOM 328 N ALA A 23 2.394 -9.854 0.671 1.00 2.10 N ATOM 329 CA ALA A 23 3.540 -8.988 1.087 1.00 2.15 C ATOM 330 C ALA A 23 3.531 -7.688 0.272 1.00 2.02 C ATOM 331 O ALA A 23 3.661 -6.609 0.818 1.00 2.07 O ATOM 332 CB ALA A 23 4.794 -9.813 0.790 1.00 2.20 C ATOM 0 H ALA A 23 2.656 -10.745 0.250 1.00 2.10 H new ATOM 0 HA ALA A 23 3.490 -8.704 2.138 1.00 2.15 H new ATOM 0 HB1 ALA A 23 5.680 -9.242 1.070 1.00 2.20 H new ATOM 0 HB2 ALA A 23 4.764 -10.740 1.363 1.00 2.20 H new ATOM 0 HB3 ALA A 23 4.833 -10.045 -0.274 1.00 2.20 H new ATOM 338 N ILE A 24 3.351 -7.780 -1.026 1.00 1.92 N ATOM 339 CA ILE A 24 3.304 -6.542 -1.866 1.00 1.88 C ATOM 340 C ILE A 24 2.152 -5.654 -1.378 1.00 1.89 C ATOM 341 O ILE A 24 2.314 -4.462 -1.176 1.00 1.91 O ATOM 342 CB ILE A 24 3.051 -7.030 -3.301 1.00 1.85 C ATOM 343 CG1 ILE A 24 4.307 -7.723 -3.836 1.00 1.92 C ATOM 344 CG2 ILE A 24 2.714 -5.842 -4.209 1.00 1.94 C ATOM 345 CD1 ILE A 24 3.952 -8.515 -5.096 1.00 1.94 C ATOM 0 H ILE A 24 3.235 -8.655 -1.537 1.00 1.92 H new ATOM 0 HA ILE A 24 4.221 -5.955 -1.809 1.00 1.88 H new ATOM 0 HB ILE A 24 2.215 -7.729 -3.292 1.00 1.85 H new ATOM 0 HG12 ILE A 24 5.075 -6.984 -4.062 1.00 1.92 H new ATOM 0 HG13 ILE A 24 4.719 -8.389 -3.078 1.00 1.92 H new ATOM 0 HG21 ILE A 24 2.536 -6.198 -5.224 1.00 1.94 H new ATOM 0 HG22 ILE A 24 1.819 -5.343 -3.838 1.00 1.94 H new ATOM 0 HG23 ILE A 24 3.547 -5.139 -4.212 1.00 1.94 H new ATOM 0 HD11 ILE A 24 4.845 -9.009 -5.479 1.00 1.94 H new ATOM 0 HD12 ILE A 24 3.198 -9.264 -4.855 1.00 1.94 H new ATOM 0 HD13 ILE A 24 3.560 -7.837 -5.854 1.00 1.94 H new ATOM 357 N ALA A 25 0.995 -6.235 -1.166 1.00 1.94 N ATOM 358 CA ALA A 25 -0.166 -5.440 -0.669 1.00 2.06 C ATOM 359 C ALA A 25 0.150 -4.867 0.714 1.00 2.13 C ATOM 360 O ALA A 25 -0.105 -3.708 0.988 1.00 2.17 O ATOM 361 CB ALA A 25 -1.331 -6.429 -0.603 1.00 2.18 C ATOM 0 H ALA A 25 0.807 -7.226 -1.317 1.00 1.94 H new ATOM 0 HA ALA A 25 -0.400 -4.594 -1.315 1.00 2.06 H new ATOM 0 HB1 ALA A 25 -2.224 -5.916 -0.245 1.00 2.18 H new ATOM 0 HB2 ALA A 25 -1.520 -6.835 -1.597 1.00 2.18 H new ATOM 0 HB3 ALA A 25 -1.081 -7.241 0.079 1.00 2.18 H new ATOM 367 N ALA A 26 0.724 -5.662 1.576 1.00 2.18 N ATOM 368 CA ALA A 26 1.081 -5.158 2.936 1.00 2.32 C ATOM 369 C ALA A 26 2.110 -4.031 2.800 1.00 2.25 C ATOM 370 O ALA A 26 1.990 -2.991 3.421 1.00 2.32 O ATOM 371 CB ALA A 26 1.672 -6.361 3.676 1.00 2.43 C ATOM 0 H ALA A 26 0.962 -6.638 1.399 1.00 2.18 H new ATOM 0 HA ALA A 26 0.225 -4.753 3.476 1.00 2.32 H new ATOM 0 HB1 ALA A 26 1.957 -6.063 4.685 1.00 2.43 H new ATOM 0 HB2 ALA A 26 0.929 -7.157 3.729 1.00 2.43 H new ATOM 0 HB3 ALA A 26 2.551 -6.721 3.142 1.00 2.43 H new ATOM 377 N LEU A 27 3.101 -4.217 1.961 1.00 2.14 N ATOM 378 CA LEU A 27 4.115 -3.145 1.748 1.00 2.12 C ATOM 379 C LEU A 27 3.415 -1.909 1.171 1.00 2.05 C ATOM 380 O LEU A 27 3.619 -0.798 1.631 1.00 2.09 O ATOM 381 CB LEU A 27 5.114 -3.736 0.745 1.00 2.10 C ATOM 382 CG LEU A 27 6.036 -2.632 0.225 1.00 2.14 C ATOM 383 CD1 LEU A 27 7.486 -3.111 0.266 1.00 2.34 C ATOM 384 CD2 LEU A 27 5.656 -2.285 -1.216 1.00 2.11 C ATOM 0 H LEU A 27 3.248 -5.066 1.416 1.00 2.14 H new ATOM 0 HA LEU A 27 4.617 -2.837 2.665 1.00 2.12 H new ATOM 0 HB2 LEU A 27 5.702 -4.520 1.222 1.00 2.10 H new ATOM 0 HB3 LEU A 27 4.580 -4.198 -0.085 1.00 2.10 H new ATOM 0 HG LEU A 27 5.929 -1.748 0.854 1.00 2.14 H new ATOM 0 HD11 LEU A 27 8.140 -2.322 -0.105 1.00 2.34 H new ATOM 0 HD12 LEU A 27 7.759 -3.356 1.292 1.00 2.34 H new ATOM 0 HD13 LEU A 27 7.594 -3.997 -0.360 1.00 2.34 H new ATOM 0 HD21 LEU A 27 6.313 -1.498 -1.586 1.00 2.11 H new ATOM 0 HD22 LEU A 27 5.761 -3.170 -1.843 1.00 2.11 H new ATOM 0 HD23 LEU A 27 4.623 -1.939 -1.247 1.00 2.11 H new ATOM 396 N GLY A 28 2.567 -2.100 0.185 1.00 1.99 N ATOM 397 CA GLY A 28 1.826 -0.944 -0.407 1.00 2.00 C ATOM 398 C GLY A 28 1.018 -0.261 0.699 1.00 2.09 C ATOM 399 O GLY A 28 1.038 0.950 0.836 1.00 2.12 O ATOM 0 H GLY A 28 2.358 -3.007 -0.233 1.00 1.99 H new ATOM 0 HA2 GLY A 28 2.524 -0.238 -0.856 1.00 2.00 H new ATOM 0 HA3 GLY A 28 1.164 -1.287 -1.202 1.00 2.00 H new ATOM 403 N ALA A 29 0.326 -1.032 1.507 1.00 2.18 N ATOM 404 CA ALA A 29 -0.466 -0.429 2.621 1.00 2.34 C ATOM 405 C ALA A 29 0.471 0.269 3.608 1.00 2.36 C ATOM 406 O ALA A 29 0.214 1.376 4.043 1.00 2.43 O ATOM 407 CB ALA A 29 -1.191 -1.604 3.282 1.00 2.48 C ATOM 0 H ALA A 29 0.277 -2.049 1.441 1.00 2.18 H new ATOM 0 HA ALA A 29 -1.172 0.325 2.272 1.00 2.34 H new ATOM 0 HB1 ALA A 29 -1.795 -1.238 4.112 1.00 2.48 H new ATOM 0 HB2 ALA A 29 -1.836 -2.091 2.551 1.00 2.48 H new ATOM 0 HB3 ALA A 29 -0.459 -2.320 3.654 1.00 2.48 H new ATOM 413 N LEU A 30 1.567 -0.360 3.941 1.00 2.35 N ATOM 414 CA LEU A 30 2.546 0.271 4.881 1.00 2.43 C ATOM 415 C LEU A 30 3.042 1.600 4.293 1.00 2.31 C ATOM 416 O LEU A 30 3.166 2.589 4.990 1.00 2.38 O ATOM 417 CB LEU A 30 3.697 -0.736 5.001 1.00 2.47 C ATOM 418 CG LEU A 30 3.435 -1.685 6.172 1.00 2.68 C ATOM 419 CD1 LEU A 30 4.244 -2.968 5.974 1.00 2.73 C ATOM 420 CD2 LEU A 30 3.863 -1.011 7.476 1.00 2.92 C ATOM 0 H LEU A 30 1.829 -1.286 3.603 1.00 2.35 H new ATOM 0 HA LEU A 30 2.108 0.493 5.854 1.00 2.43 H new ATOM 0 HB2 LEU A 30 3.794 -1.304 4.076 1.00 2.47 H new ATOM 0 HB3 LEU A 30 4.639 -0.209 5.152 1.00 2.47 H new ATOM 0 HG LEU A 30 2.373 -1.926 6.218 1.00 2.68 H new ATOM 0 HD11 LEU A 30 4.060 -3.647 6.807 1.00 2.73 H new ATOM 0 HD12 LEU A 30 3.944 -3.447 5.042 1.00 2.73 H new ATOM 0 HD13 LEU A 30 5.306 -2.726 5.932 1.00 2.73 H new ATOM 0 HD21 LEU A 30 3.677 -1.685 8.312 1.00 2.92 H new ATOM 0 HD22 LEU A 30 4.926 -0.773 7.431 1.00 2.92 H new ATOM 0 HD23 LEU A 30 3.291 -0.093 7.616 1.00 2.92 H new ATOM 432 N ILE A 31 3.302 1.635 3.008 1.00 2.17 N ATOM 433 CA ILE A 31 3.767 2.908 2.369 1.00 2.10 C ATOM 434 C ILE A 31 2.610 3.918 2.334 1.00 2.10 C ATOM 435 O ILE A 31 2.776 5.078 2.683 1.00 2.11 O ATOM 436 CB ILE A 31 4.209 2.508 0.954 1.00 2.04 C ATOM 437 CG1 ILE A 31 5.603 1.879 1.023 1.00 2.12 C ATOM 438 CG2 ILE A 31 4.258 3.739 0.043 1.00 2.06 C ATOM 439 CD1 ILE A 31 5.819 0.978 -0.193 1.00 2.27 C ATOM 0 H ILE A 31 3.213 0.840 2.375 1.00 2.17 H new ATOM 0 HA ILE A 31 4.583 3.384 2.914 1.00 2.10 H new ATOM 0 HB ILE A 31 3.493 1.794 0.547 1.00 2.04 H new ATOM 0 HG12 ILE A 31 6.364 2.659 1.050 1.00 2.12 H new ATOM 0 HG13 ILE A 31 5.707 1.300 1.941 1.00 2.12 H new ATOM 0 HG21 ILE A 31 4.573 3.440 -0.957 1.00 2.06 H new ATOM 0 HG22 ILE A 31 3.268 4.193 -0.009 1.00 2.06 H new ATOM 0 HG23 ILE A 31 4.968 4.462 0.446 1.00 2.06 H new ATOM 0 HD11 ILE A 31 6.812 0.531 -0.143 1.00 2.27 H new ATOM 0 HD12 ILE A 31 5.066 0.190 -0.200 1.00 2.27 H new ATOM 0 HD13 ILE A 31 5.733 1.570 -1.104 1.00 2.27 H new ATOM 451 N LEU A 32 1.438 3.479 1.934 1.00 2.14 N ATOM 452 CA LEU A 32 0.260 4.404 1.891 1.00 2.21 C ATOM 453 C LEU A 32 -0.036 4.943 3.297 1.00 2.31 C ATOM 454 O LEU A 32 -0.164 6.138 3.498 1.00 2.33 O ATOM 455 CB LEU A 32 -0.909 3.552 1.378 1.00 2.28 C ATOM 456 CG LEU A 32 -1.537 4.224 0.156 1.00 2.50 C ATOM 457 CD1 LEU A 32 -1.489 3.266 -1.034 1.00 2.80 C ATOM 458 CD2 LEU A 32 -2.994 4.575 0.459 1.00 2.72 C ATOM 0 H LEU A 32 1.247 2.522 1.636 1.00 2.14 H new ATOM 0 HA LEU A 32 0.437 5.267 1.249 1.00 2.21 H new ATOM 0 HB2 LEU A 32 -0.557 2.554 1.116 1.00 2.28 H new ATOM 0 HB3 LEU A 32 -1.656 3.431 2.163 1.00 2.28 H new ATOM 0 HG LEU A 32 -0.983 5.132 -0.081 1.00 2.50 H new ATOM 0 HD11 LEU A 32 -1.937 3.745 -1.905 1.00 2.80 H new ATOM 0 HD12 LEU A 32 -0.452 3.010 -1.253 1.00 2.80 H new ATOM 0 HD13 LEU A 32 -2.044 2.359 -0.794 1.00 2.80 H new ATOM 0 HD21 LEU A 32 -3.442 5.054 -0.412 1.00 2.72 H new ATOM 0 HD22 LEU A 32 -3.546 3.665 0.696 1.00 2.72 H new ATOM 0 HD23 LEU A 32 -3.035 5.256 1.309 1.00 2.72 H new ATOM 470 N GLY A 33 -0.130 4.066 4.271 1.00 2.41 N ATOM 471 CA GLY A 33 -0.406 4.507 5.675 1.00 2.57 C ATOM 472 C GLY A 33 0.739 5.390 6.176 1.00 2.53 C ATOM 473 O GLY A 33 0.513 6.403 6.810 1.00 2.60 O ATOM 0 H GLY A 33 -0.027 3.058 4.151 1.00 2.41 H new ATOM 0 HA2 GLY A 33 -1.346 5.057 5.715 1.00 2.57 H new ATOM 0 HA3 GLY A 33 -0.518 3.638 6.323 1.00 2.57 H new ATOM 988 N GLN A 66 -24.150 19.363 -4.403 1.00 2.78 N ATOM 989 CA GLN A 66 -25.099 20.517 -4.355 1.00 2.59 C ATOM 990 C GLN A 66 -26.516 20.002 -4.612 1.00 2.51 C ATOM 991 O GLN A 66 -27.436 20.293 -3.877 1.00 2.28 O ATOM 992 CB GLN A 66 -24.637 21.465 -5.470 1.00 2.84 C ATOM 993 CG GLN A 66 -25.259 22.851 -5.274 1.00 2.78 C ATOM 994 CD GLN A 66 -25.399 23.542 -6.630 1.00 3.07 C ATOM 995 OE1 GLN A 66 -26.497 23.805 -7.079 1.00 3.03 O ATOM 996 NE2 GLN A 66 -24.330 23.843 -7.311 1.00 3.46 N ATOM 0 HA GLN A 66 -25.109 21.027 -3.392 1.00 2.59 H new ATOM 0 HB2 GLN A 66 -23.550 21.542 -5.465 1.00 2.84 H new ATOM 0 HB3 GLN A 66 -24.924 21.063 -6.442 1.00 2.84 H new ATOM 0 HG2 GLN A 66 -26.235 22.759 -4.798 1.00 2.78 H new ATOM 0 HG3 GLN A 66 -24.636 23.451 -4.611 1.00 2.78 H new ATOM 0 HE21 GLN A 66 -23.407 23.623 -6.936 1.00 3.46 H new ATOM 0 HE22 GLN A 66 -24.416 24.299 -8.220 1.00 3.46 H new ATOM 1005 N TYR A 67 -26.680 19.210 -5.635 1.00 2.76 N ATOM 1006 CA TYR A 67 -28.025 18.633 -5.943 1.00 2.76 C ATOM 1007 C TYR A 67 -28.414 17.614 -4.866 1.00 2.67 C ATOM 1008 O TYR A 67 -29.545 17.571 -4.418 1.00 2.52 O ATOM 1009 CB TYR A 67 -27.875 17.962 -7.313 1.00 3.15 C ATOM 1010 CG TYR A 67 -28.261 18.948 -8.392 1.00 3.28 C ATOM 1011 CD1 TYR A 67 -29.611 19.198 -8.662 1.00 3.26 C ATOM 1012 CD2 TYR A 67 -27.269 19.623 -9.113 1.00 3.51 C ATOM 1013 CE1 TYR A 67 -29.968 20.122 -9.653 1.00 3.44 C ATOM 1014 CE2 TYR A 67 -27.628 20.548 -10.101 1.00 3.72 C ATOM 1015 CZ TYR A 67 -28.975 20.796 -10.370 1.00 3.67 C ATOM 1016 OH TYR A 67 -29.325 21.710 -11.341 1.00 3.92 O ATOM 0 H TYR A 67 -25.937 18.934 -6.277 1.00 2.76 H new ATOM 0 HA TYR A 67 -28.810 19.389 -5.959 1.00 2.76 H new ATOM 0 HB2 TYR A 67 -26.847 17.629 -7.458 1.00 3.15 H new ATOM 0 HB3 TYR A 67 -28.508 17.076 -7.369 1.00 3.15 H new ATOM 0 HD1 TYR A 67 -30.378 18.679 -8.106 1.00 3.26 H new ATOM 0 HD2 TYR A 67 -26.226 19.430 -8.907 1.00 3.51 H new ATOM 0 HE1 TYR A 67 -31.010 20.313 -9.863 1.00 3.44 H new ATOM 0 HE2 TYR A 67 -26.862 21.070 -10.655 1.00 3.72 H new ATOM 0 HH TYR A 67 -28.515 22.088 -11.742 1.00 3.92 H new ATOM 1026 N SER A 68 -27.476 16.813 -4.436 1.00 2.83 N ATOM 1027 CA SER A 68 -27.773 15.803 -3.368 1.00 2.88 C ATOM 1028 C SER A 68 -28.204 16.510 -2.075 1.00 2.58 C ATOM 1029 O SER A 68 -29.084 16.049 -1.377 1.00 2.61 O ATOM 1030 CB SER A 68 -26.468 15.039 -3.142 1.00 3.11 C ATOM 1031 OG SER A 68 -26.757 13.654 -2.998 1.00 2.96 O ATOM 0 H SER A 68 -26.514 16.811 -4.776 1.00 2.83 H new ATOM 0 HA SER A 68 -28.584 15.136 -3.660 1.00 2.88 H new ATOM 0 HB2 SER A 68 -25.790 15.196 -3.981 1.00 3.11 H new ATOM 0 HB3 SER A 68 -25.964 15.412 -2.251 1.00 3.11 H new ATOM 0 HG SER A 68 -25.923 13.159 -2.855 1.00 2.96 H new ATOM 1037 N ALA A 69 -27.598 17.630 -1.757 1.00 2.36 N ATOM 1038 CA ALA A 69 -27.990 18.363 -0.517 1.00 2.15 C ATOM 1039 C ALA A 69 -29.218 19.232 -0.794 1.00 1.94 C ATOM 1040 O ALA A 69 -30.133 19.297 0.005 1.00 1.89 O ATOM 1041 CB ALA A 69 -26.782 19.227 -0.150 1.00 2.12 C ATOM 0 H ALA A 69 -26.853 18.064 -2.301 1.00 2.36 H new ATOM 0 HA ALA A 69 -28.253 17.687 0.296 1.00 2.15 H new ATOM 0 HB1 ALA A 69 -27.002 19.794 0.755 1.00 2.12 H new ATOM 0 HB2 ALA A 69 -25.917 18.587 0.024 1.00 2.12 H new ATOM 0 HB3 ALA A 69 -26.566 19.916 -0.967 1.00 2.12 H new ATOM 1047 N LYS A 70 -29.248 19.891 -1.924 1.00 1.90 N ATOM 1048 CA LYS A 70 -30.426 20.755 -2.258 1.00 1.76 C ATOM 1049 C LYS A 70 -31.682 19.905 -2.445 1.00 1.74 C ATOM 1050 O LYS A 70 -32.757 20.319 -2.088 1.00 1.62 O ATOM 1051 CB LYS A 70 -30.063 21.511 -3.551 1.00 1.91 C ATOM 1052 CG LYS A 70 -30.507 20.718 -4.790 1.00 2.10 C ATOM 1053 CD LYS A 70 -30.327 21.574 -6.050 1.00 2.33 C ATOM 1054 CE LYS A 70 -28.844 21.901 -6.253 1.00 2.51 C ATOM 1055 NZ LYS A 70 -28.832 23.192 -6.999 1.00 2.72 N ATOM 0 H LYS A 70 -28.511 19.870 -2.629 1.00 1.90 H new ATOM 0 HA LYS A 70 -30.644 21.456 -1.452 1.00 1.76 H new ATOM 0 HB2 LYS A 70 -30.540 22.491 -3.551 1.00 1.91 H new ATOM 0 HB3 LYS A 70 -28.987 21.680 -3.589 1.00 1.91 H new ATOM 0 HG2 LYS A 70 -29.922 19.802 -4.875 1.00 2.10 H new ATOM 0 HG3 LYS A 70 -31.551 20.421 -4.688 1.00 2.10 H new ATOM 0 HD2 LYS A 70 -30.713 21.042 -6.919 1.00 2.33 H new ATOM 0 HD3 LYS A 70 -30.902 22.495 -5.959 1.00 2.33 H new ATOM 0 HE2 LYS A 70 -28.326 21.992 -5.298 1.00 2.51 H new ATOM 0 HE3 LYS A 70 -28.340 21.115 -6.816 1.00 2.51 H new ATOM 0 HZ1 LYS A 70 -27.852 23.524 -7.102 1.00 2.72 H new ATOM 0 HZ2 LYS A 70 -29.251 23.053 -7.941 1.00 2.72 H new ATOM 0 HZ3 LYS A 70 -29.385 23.901 -6.476 1.00 2.72 H new ATOM 1069 N GLY A 71 -31.557 18.722 -2.992 1.00 1.96 N ATOM 1070 CA GLY A 71 -32.760 17.847 -3.192 1.00 2.05 C ATOM 1071 C GLY A 71 -33.633 17.889 -1.936 1.00 1.95 C ATOM 1072 O GLY A 71 -34.743 18.386 -1.975 1.00 1.83 O ATOM 0 H GLY A 71 -30.675 18.321 -3.310 1.00 1.96 H new ATOM 0 HA2 GLY A 71 -33.331 18.186 -4.056 1.00 2.05 H new ATOM 0 HA3 GLY A 71 -32.448 16.823 -3.398 1.00 2.05 H new ATOM 1076 N PRO A 72 -33.087 17.399 -0.848 1.00 2.09 N ATOM 1077 CA PRO A 72 -33.819 17.425 0.440 1.00 2.16 C ATOM 1078 C PRO A 72 -33.940 18.872 0.949 1.00 1.95 C ATOM 1079 O PRO A 72 -35.003 19.299 1.357 1.00 1.99 O ATOM 1080 CB PRO A 72 -32.952 16.569 1.365 1.00 2.44 C ATOM 1081 CG PRO A 72 -31.580 16.637 0.774 1.00 2.38 C ATOM 1082 CD PRO A 72 -31.759 16.781 -0.714 1.00 2.28 C ATOM 0 HA PRO A 72 -34.839 17.048 0.371 1.00 2.16 H new ATOM 0 HB2 PRO A 72 -32.963 16.953 2.385 1.00 2.44 H new ATOM 0 HB3 PRO A 72 -33.314 15.542 1.408 1.00 2.44 H new ATOM 0 HG2 PRO A 72 -31.024 17.482 1.181 1.00 2.38 H new ATOM 0 HG3 PRO A 72 -31.011 15.738 1.011 1.00 2.38 H new ATOM 0 HD2 PRO A 72 -30.981 17.406 -1.152 1.00 2.28 H new ATOM 0 HD3 PRO A 72 -31.714 15.816 -1.218 1.00 2.28 H new ATOM 1090 N CYS A 73 -32.872 19.640 0.911 1.00 1.83 N ATOM 1091 CA CYS A 73 -32.960 21.062 1.385 1.00 1.77 C ATOM 1092 C CYS A 73 -34.072 21.800 0.633 1.00 1.66 C ATOM 1093 O CYS A 73 -34.856 22.524 1.219 1.00 1.78 O ATOM 1094 CB CYS A 73 -31.594 21.689 1.092 1.00 1.74 C ATOM 1095 SG CYS A 73 -31.151 22.819 2.434 1.00 2.30 S ATOM 0 H CYS A 73 -31.954 19.348 0.576 1.00 1.83 H new ATOM 0 HA CYS A 73 -33.199 21.121 2.447 1.00 1.77 H new ATOM 0 HB2 CYS A 73 -30.838 20.910 0.993 1.00 1.74 H new ATOM 0 HB3 CYS A 73 -31.624 22.226 0.144 1.00 1.74 H new ATOM 0 HG CYS A 73 -29.990 23.351 2.188 1.00 2.30 H new ATOM 1101 N VAL A 74 -34.164 21.593 -0.652 1.00 1.54 N ATOM 1102 CA VAL A 74 -35.240 22.252 -1.452 1.00 1.50 C ATOM 1103 C VAL A 74 -36.567 21.572 -1.145 1.00 1.54 C ATOM 1104 O VAL A 74 -37.555 22.222 -0.899 1.00 1.61 O ATOM 1105 CB VAL A 74 -34.843 22.075 -2.921 1.00 1.51 C ATOM 1106 CG1 VAL A 74 -36.008 22.485 -3.826 1.00 1.57 C ATOM 1107 CG2 VAL A 74 -33.637 22.964 -3.231 1.00 1.72 C ATOM 0 H VAL A 74 -33.537 20.992 -1.187 1.00 1.54 H new ATOM 0 HA VAL A 74 -35.354 23.311 -1.218 1.00 1.50 H new ATOM 0 HB VAL A 74 -34.592 21.030 -3.100 1.00 1.51 H new ATOM 0 HG11 VAL A 74 -35.720 22.357 -4.870 1.00 1.57 H new ATOM 0 HG12 VAL A 74 -36.874 21.860 -3.609 1.00 1.57 H new ATOM 0 HG13 VAL A 74 -36.260 23.530 -3.644 1.00 1.57 H new ATOM 0 HG21 VAL A 74 -33.352 22.840 -4.276 1.00 1.72 H new ATOM 0 HG22 VAL A 74 -33.897 24.007 -3.047 1.00 1.72 H new ATOM 0 HG23 VAL A 74 -32.801 22.680 -2.591 1.00 1.72 H new ATOM 1117 N GLU A 75 -36.584 20.267 -1.119 1.00 1.61 N ATOM 1118 CA GLU A 75 -37.847 19.540 -0.777 1.00 1.77 C ATOM 1119 C GLU A 75 -38.410 20.110 0.534 1.00 1.91 C ATOM 1120 O GLU A 75 -39.589 20.396 0.658 1.00 1.99 O ATOM 1121 CB GLU A 75 -37.416 18.077 -0.597 1.00 2.04 C ATOM 1122 CG GLU A 75 -38.632 17.208 -0.245 1.00 2.46 C ATOM 1123 CD GLU A 75 -38.377 16.460 1.061 1.00 2.86 C ATOM 1124 OE1 GLU A 75 -37.495 15.614 1.081 1.00 2.87 O ATOM 1125 OE2 GLU A 75 -39.079 16.736 2.025 1.00 3.28 O ATOM 0 H GLU A 75 -35.781 19.671 -1.319 1.00 1.61 H new ATOM 0 HA GLU A 75 -38.623 19.638 -1.536 1.00 1.77 H new ATOM 0 HB2 GLU A 75 -36.951 17.712 -1.513 1.00 2.04 H new ATOM 0 HB3 GLU A 75 -36.667 18.005 0.192 1.00 2.04 H new ATOM 0 HG2 GLU A 75 -39.520 17.832 -0.149 1.00 2.46 H new ATOM 0 HG3 GLU A 75 -38.827 16.498 -1.049 1.00 2.46 H new ATOM 1132 N ARG A 76 -37.552 20.294 1.499 1.00 2.01 N ATOM 1133 CA ARG A 76 -37.982 20.853 2.811 1.00 2.27 C ATOM 1134 C ARG A 76 -38.277 22.361 2.695 1.00 2.27 C ATOM 1135 O ARG A 76 -39.319 22.822 3.127 1.00 2.48 O ATOM 1136 CB ARG A 76 -36.806 20.584 3.759 1.00 2.41 C ATOM 1137 CG ARG A 76 -37.031 19.256 4.499 1.00 2.67 C ATOM 1138 CD ARG A 76 -36.126 18.175 3.895 1.00 2.83 C ATOM 1139 NE ARG A 76 -36.931 16.917 3.925 1.00 3.01 N ATOM 1140 CZ ARG A 76 -36.347 15.776 4.120 1.00 3.35 C ATOM 1141 NH1 ARG A 76 -35.811 15.514 5.269 1.00 3.72 N ATOM 1142 NH2 ARG A 76 -36.302 14.907 3.163 1.00 3.42 N ATOM 0 H ARG A 76 -36.557 20.078 1.433 1.00 2.01 H new ATOM 0 HA ARG A 76 -38.904 20.396 3.172 1.00 2.27 H new ATOM 0 HB2 ARG A 76 -35.874 20.544 3.195 1.00 2.41 H new ATOM 0 HB3 ARG A 76 -36.710 21.399 4.476 1.00 2.41 H new ATOM 0 HG2 ARG A 76 -36.813 19.377 5.560 1.00 2.67 H new ATOM 0 HG3 ARG A 76 -38.076 18.956 4.421 1.00 2.67 H new ATOM 0 HD2 ARG A 76 -35.836 18.431 2.876 1.00 2.83 H new ATOM 0 HD3 ARG A 76 -35.207 18.066 4.471 1.00 2.83 H new ATOM 0 HE ARG A 76 -37.942 16.956 3.792 1.00 3.01 H new ATOM 0 HH11 ARG A 76 -35.849 16.205 6.019 1.00 3.72 H new ATOM 0 HH12 ARG A 76 -35.351 14.617 5.425 1.00 3.72 H new ATOM 0 HH21 ARG A 76 -36.725 15.121 2.260 1.00 3.42 H new ATOM 0 HH22 ARG A 76 -35.844 14.008 3.312 1.00 3.42 H new ATOM 1156 N LYS A 77 -37.385 23.138 2.113 1.00 2.13 N ATOM 1157 CA LYS A 77 -37.660 24.610 1.987 1.00 2.27 C ATOM 1158 C LYS A 77 -38.838 24.868 1.033 1.00 2.25 C ATOM 1159 O LYS A 77 -39.440 25.925 1.064 1.00 2.50 O ATOM 1160 CB LYS A 77 -36.348 25.253 1.487 1.00 2.18 C ATOM 1161 CG LYS A 77 -36.384 25.526 -0.031 1.00 2.08 C ATOM 1162 CD LYS A 77 -36.177 27.027 -0.292 1.00 2.37 C ATOM 1163 CE LYS A 77 -37.433 27.630 -0.934 1.00 2.50 C ATOM 1164 NZ LYS A 77 -38.318 27.996 0.212 1.00 2.73 N ATOM 0 H LYS A 77 -36.495 22.823 1.727 1.00 2.13 H new ATOM 0 HA LYS A 77 -37.955 25.048 2.940 1.00 2.27 H new ATOM 0 HB2 LYS A 77 -36.176 26.188 2.020 1.00 2.18 H new ATOM 0 HB3 LYS A 77 -35.510 24.595 1.718 1.00 2.18 H new ATOM 0 HG2 LYS A 77 -35.607 24.949 -0.533 1.00 2.08 H new ATOM 0 HG3 LYS A 77 -37.339 25.203 -0.446 1.00 2.08 H new ATOM 0 HD2 LYS A 77 -35.956 27.540 0.644 1.00 2.37 H new ATOM 0 HD3 LYS A 77 -35.318 27.175 -0.947 1.00 2.37 H new ATOM 0 HE2 LYS A 77 -37.187 28.504 -1.537 1.00 2.50 H new ATOM 0 HE3 LYS A 77 -37.920 26.914 -1.595 1.00 2.50 H new ATOM 0 HZ1 LYS A 77 -38.828 28.875 -0.010 1.00 2.73 H new ATOM 0 HZ2 LYS A 77 -39.002 27.231 0.380 1.00 2.73 H new ATOM 0 HZ3 LYS A 77 -37.740 28.138 1.065 1.00 2.73 H new ATOM 1178 N ALA A 78 -39.171 23.917 0.199 1.00 2.01 N ATOM 1179 CA ALA A 78 -40.319 24.095 -0.740 1.00 2.02 C ATOM 1180 C ALA A 78 -41.608 23.678 -0.027 1.00 2.20 C ATOM 1181 O ALA A 78 -42.634 24.326 -0.137 1.00 2.37 O ATOM 1182 CB ALA A 78 -40.020 23.178 -1.928 1.00 1.79 C ATOM 0 H ALA A 78 -38.694 23.018 0.128 1.00 2.01 H new ATOM 0 HA ALA A 78 -40.446 25.126 -1.071 1.00 2.02 H new ATOM 0 HB1 ALA A 78 -40.824 23.257 -2.660 1.00 1.79 H new ATOM 0 HB2 ALA A 78 -39.078 23.476 -2.389 1.00 1.79 H new ATOM 0 HB3 ALA A 78 -39.945 22.147 -1.582 1.00 1.79 H new ATOM 1188 N LYS A 79 -41.544 22.620 0.738 1.00 2.22 N ATOM 1189 CA LYS A 79 -42.744 22.176 1.510 1.00 2.49 C ATOM 1190 C LYS A 79 -43.029 23.220 2.595 1.00 2.78 C ATOM 1191 O LYS A 79 -44.163 23.537 2.892 1.00 3.00 O ATOM 1192 CB LYS A 79 -42.352 20.838 2.148 1.00 2.57 C ATOM 1193 CG LYS A 79 -42.539 19.705 1.133 1.00 2.46 C ATOM 1194 CD LYS A 79 -41.650 18.516 1.519 1.00 2.86 C ATOM 1195 CE LYS A 79 -42.507 17.270 1.749 1.00 3.41 C ATOM 1196 NZ LYS A 79 -41.536 16.195 2.132 1.00 3.64 N ATOM 0 H LYS A 79 -40.712 22.043 0.862 1.00 2.22 H new ATOM 0 HA LYS A 79 -43.634 22.068 0.890 1.00 2.49 H new ATOM 0 HB2 LYS A 79 -41.315 20.873 2.481 1.00 2.57 H new ATOM 0 HB3 LYS A 79 -42.964 20.652 3.031 1.00 2.57 H new ATOM 0 HG2 LYS A 79 -43.584 19.397 1.106 1.00 2.46 H new ATOM 0 HG3 LYS A 79 -42.283 20.054 0.132 1.00 2.46 H new ATOM 0 HD2 LYS A 79 -40.922 18.325 0.730 1.00 2.86 H new ATOM 0 HD3 LYS A 79 -41.087 18.751 2.422 1.00 2.86 H new ATOM 0 HE2 LYS A 79 -43.242 17.437 2.537 1.00 3.41 H new ATOM 0 HE3 LYS A 79 -43.060 17.000 0.849 1.00 3.41 H new ATOM 0 HZ1 LYS A 79 -41.417 15.535 1.337 1.00 3.64 H new ATOM 0 HZ2 LYS A 79 -40.618 16.624 2.367 1.00 3.64 H new ATOM 0 HZ3 LYS A 79 -41.898 15.679 2.959 1.00 3.64 H new ATOM 1210 N LEU A 80 -41.984 23.758 3.176 1.00 2.83 N ATOM 1211 CA LEU A 80 -42.145 24.792 4.233 1.00 3.17 C ATOM 1212 C LEU A 80 -42.394 26.171 3.603 1.00 3.23 C ATOM 1213 O LEU A 80 -43.174 26.958 4.103 1.00 3.51 O ATOM 1214 CB LEU A 80 -40.821 24.760 5.001 1.00 3.23 C ATOM 1215 CG LEU A 80 -40.921 25.653 6.238 1.00 3.61 C ATOM 1216 CD1 LEU A 80 -41.156 24.782 7.471 1.00 3.86 C ATOM 1217 CD2 LEU A 80 -39.617 26.430 6.411 1.00 3.74 C ATOM 0 H LEU A 80 -41.017 23.518 2.957 1.00 2.83 H new ATOM 0 HA LEU A 80 -42.998 24.601 4.884 1.00 3.17 H new ATOM 0 HB2 LEU A 80 -40.586 23.738 5.297 1.00 3.23 H new ATOM 0 HB3 LEU A 80 -40.009 25.101 4.359 1.00 3.23 H new ATOM 0 HG LEU A 80 -41.749 26.352 6.118 1.00 3.61 H new ATOM 0 HD11 LEU A 80 -41.228 25.415 8.355 1.00 3.86 H new ATOM 0 HD12 LEU A 80 -42.083 24.222 7.349 1.00 3.86 H new ATOM 0 HD13 LEU A 80 -40.325 24.087 7.589 1.00 3.86 H new ATOM 0 HD21 LEU A 80 -39.687 27.067 7.293 1.00 3.74 H new ATOM 0 HD22 LEU A 80 -38.790 25.730 6.534 1.00 3.74 H new ATOM 0 HD23 LEU A 80 -39.442 27.048 5.530 1.00 3.74 H new