USER MOD reduce.3.24.130724 H: found=0, std=0, add=291, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 293 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 GLN : amide:sc= 0.0179 K(o=0.98,f=-24!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ 165:sc= 0.958! (180deg=-0.225) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -163:sc= 0.756 (180deg=0.117) USER MOD ----------------------------------------------------------------- ATOM 174 N VAL A 14 0.807 -21.456 -5.902 1.00 3.88 N ATOM 175 CA VAL A 14 -0.257 -20.478 -5.517 1.00 3.86 C ATOM 176 C VAL A 14 0.067 -19.856 -4.153 1.00 3.74 C ATOM 177 O VAL A 14 -0.159 -18.683 -3.935 1.00 3.67 O ATOM 178 CB VAL A 14 -1.570 -21.273 -5.469 1.00 4.01 C ATOM 179 CG1 VAL A 14 -1.877 -21.848 -6.852 1.00 4.17 C ATOM 180 CG2 VAL A 14 -1.468 -22.420 -4.458 1.00 4.06 C ATOM 0 HA VAL A 14 -0.330 -19.656 -6.229 1.00 3.86 H new ATOM 0 HB VAL A 14 -2.370 -20.599 -5.163 1.00 4.01 H new ATOM 0 HG11 VAL A 14 -2.809 -22.411 -6.813 1.00 4.17 H new ATOM 0 HG12 VAL A 14 -1.974 -21.034 -7.571 1.00 4.17 H new ATOM 0 HG13 VAL A 14 -1.067 -22.509 -7.159 1.00 4.17 H new ATOM 0 HG21 VAL A 14 -2.408 -22.972 -4.438 1.00 4.06 H new ATOM 0 HG22 VAL A 14 -0.659 -23.091 -4.749 1.00 4.06 H new ATOM 0 HG23 VAL A 14 -1.264 -22.014 -3.467 1.00 4.06 H new ATOM 190 N VAL A 15 0.623 -20.617 -3.242 1.00 3.74 N ATOM 191 CA VAL A 15 0.979 -20.039 -1.908 1.00 3.66 C ATOM 192 C VAL A 15 2.134 -19.048 -2.079 1.00 3.53 C ATOM 193 O VAL A 15 2.142 -17.979 -1.496 1.00 3.44 O ATOM 194 CB VAL A 15 1.391 -21.235 -1.036 1.00 3.76 C ATOM 195 CG1 VAL A 15 2.192 -20.749 0.176 1.00 3.73 C ATOM 196 CG2 VAL A 15 0.137 -21.964 -0.542 1.00 3.91 C ATOM 0 H VAL A 15 0.844 -21.605 -3.362 1.00 3.74 H new ATOM 0 HA VAL A 15 0.153 -19.494 -1.450 1.00 3.66 H new ATOM 0 HB VAL A 15 2.005 -21.911 -1.631 1.00 3.76 H new ATOM 0 HG11 VAL A 15 2.480 -21.604 0.788 1.00 3.73 H new ATOM 0 HG12 VAL A 15 3.087 -20.229 -0.164 1.00 3.73 H new ATOM 0 HG13 VAL A 15 1.580 -20.068 0.768 1.00 3.73 H new ATOM 0 HG21 VAL A 15 0.429 -22.812 0.077 1.00 3.91 H new ATOM 0 HG22 VAL A 15 -0.474 -21.279 0.046 1.00 3.91 H new ATOM 0 HG23 VAL A 15 -0.438 -22.319 -1.397 1.00 3.91 H new ATOM 206 N THR A 16 3.096 -19.394 -2.891 1.00 3.53 N ATOM 207 CA THR A 16 4.255 -18.477 -3.128 1.00 3.45 C ATOM 208 C THR A 16 3.762 -17.152 -3.706 1.00 3.37 C ATOM 209 O THR A 16 4.067 -16.089 -3.197 1.00 3.29 O ATOM 210 CB THR A 16 5.162 -19.198 -4.132 1.00 3.52 C ATOM 211 OG1 THR A 16 5.694 -20.367 -3.529 1.00 3.60 O ATOM 212 CG2 THR A 16 6.313 -18.281 -4.545 1.00 3.49 C ATOM 0 H THR A 16 3.132 -20.275 -3.404 1.00 3.53 H new ATOM 0 HA THR A 16 4.788 -18.250 -2.205 1.00 3.45 H new ATOM 0 HB THR A 16 4.578 -19.466 -5.013 1.00 3.52 H new ATOM 0 HG1 THR A 16 6.273 -20.831 -4.169 1.00 3.60 H new ATOM 0 HG21 THR A 16 6.953 -18.800 -5.258 1.00 3.49 H new ATOM 0 HG22 THR A 16 5.912 -17.379 -5.007 1.00 3.49 H new ATOM 0 HG23 THR A 16 6.896 -18.010 -3.665 1.00 3.49 H new ATOM 220 N VAL A 17 2.992 -17.209 -4.758 1.00 3.42 N ATOM 221 CA VAL A 17 2.469 -15.950 -5.366 1.00 3.39 C ATOM 222 C VAL A 17 1.516 -15.247 -4.390 1.00 3.34 C ATOM 223 O VAL A 17 1.485 -14.035 -4.323 1.00 3.26 O ATOM 224 CB VAL A 17 1.757 -16.365 -6.663 1.00 3.52 C ATOM 225 CG1 VAL A 17 2.750 -17.072 -7.590 1.00 3.61 C ATOM 226 CG2 VAL A 17 0.588 -17.309 -6.366 1.00 3.63 C ATOM 0 H VAL A 17 2.702 -18.070 -5.223 1.00 3.42 H new ATOM 0 HA VAL A 17 3.266 -15.238 -5.582 1.00 3.39 H new ATOM 0 HB VAL A 17 1.370 -15.467 -7.144 1.00 3.52 H new ATOM 0 HG11 VAL A 17 2.244 -17.366 -8.509 1.00 3.61 H new ATOM 0 HG12 VAL A 17 3.571 -16.395 -7.828 1.00 3.61 H new ATOM 0 HG13 VAL A 17 3.143 -17.959 -7.093 1.00 3.61 H new ATOM 0 HG21 VAL A 17 0.100 -17.589 -7.300 1.00 3.63 H new ATOM 0 HG22 VAL A 17 0.961 -18.205 -5.869 1.00 3.63 H new ATOM 0 HG23 VAL A 17 -0.130 -16.806 -5.718 1.00 3.63 H new ATOM 236 N ILE A 18 0.760 -15.990 -3.611 1.00 3.39 N ATOM 237 CA ILE A 18 -0.158 -15.335 -2.625 1.00 3.37 C ATOM 238 C ILE A 18 0.671 -14.670 -1.533 1.00 3.24 C ATOM 239 O ILE A 18 0.391 -13.564 -1.131 1.00 3.17 O ATOM 240 CB ILE A 18 -1.042 -16.458 -2.066 1.00 3.50 C ATOM 241 CG1 ILE A 18 -2.176 -16.747 -3.054 1.00 3.65 C ATOM 242 CG2 ILE A 18 -1.642 -16.035 -0.723 1.00 3.51 C ATOM 243 CD1 ILE A 18 -2.905 -18.026 -2.635 1.00 3.83 C ATOM 0 H ILE A 18 0.740 -17.010 -3.616 1.00 3.39 H new ATOM 0 HA ILE A 18 -0.775 -14.557 -3.074 1.00 3.37 H new ATOM 0 HB ILE A 18 -0.435 -17.352 -1.922 1.00 3.50 H new ATOM 0 HG12 ILE A 18 -2.873 -15.910 -3.078 1.00 3.65 H new ATOM 0 HG13 ILE A 18 -1.775 -16.858 -4.062 1.00 3.65 H new ATOM 0 HG21 ILE A 18 -2.268 -16.839 -0.335 1.00 3.51 H new ATOM 0 HG22 ILE A 18 -0.839 -15.826 -0.016 1.00 3.51 H new ATOM 0 HG23 ILE A 18 -2.247 -15.139 -0.861 1.00 3.51 H new ATOM 0 HD11 ILE A 18 -3.712 -18.232 -3.338 1.00 3.83 H new ATOM 0 HD12 ILE A 18 -2.204 -18.861 -2.633 1.00 3.83 H new ATOM 0 HD13 ILE A 18 -3.319 -17.898 -1.635 1.00 3.83 H new ATOM 255 N VAL A 19 1.703 -15.317 -1.079 1.00 3.24 N ATOM 256 CA VAL A 19 2.570 -14.686 -0.042 1.00 3.15 C ATOM 257 C VAL A 19 3.231 -13.444 -0.651 1.00 3.06 C ATOM 258 O VAL A 19 3.298 -12.397 -0.033 1.00 2.99 O ATOM 259 CB VAL A 19 3.612 -15.751 0.329 1.00 3.22 C ATOM 260 CG1 VAL A 19 4.798 -15.095 1.041 1.00 3.23 C ATOM 261 CG2 VAL A 19 2.977 -16.785 1.261 1.00 3.35 C ATOM 0 H VAL A 19 1.986 -16.251 -1.377 1.00 3.24 H new ATOM 0 HA VAL A 19 2.020 -14.367 0.843 1.00 3.15 H new ATOM 0 HB VAL A 19 3.961 -16.239 -0.581 1.00 3.22 H new ATOM 0 HG11 VAL A 19 5.533 -15.857 1.301 1.00 3.23 H new ATOM 0 HG12 VAL A 19 5.257 -14.359 0.381 1.00 3.23 H new ATOM 0 HG13 VAL A 19 4.450 -14.602 1.949 1.00 3.23 H new ATOM 0 HG21 VAL A 19 3.717 -17.541 1.524 1.00 3.35 H new ATOM 0 HG22 VAL A 19 2.625 -16.291 2.167 1.00 3.35 H new ATOM 0 HG23 VAL A 19 2.136 -17.261 0.757 1.00 3.35 H new ATOM 271 N ILE A 20 3.689 -13.548 -1.877 1.00 3.08 N ATOM 272 CA ILE A 20 4.315 -12.368 -2.549 1.00 3.03 C ATOM 273 C ILE A 20 3.264 -11.274 -2.729 1.00 2.98 C ATOM 274 O ILE A 20 3.479 -10.131 -2.377 1.00 2.91 O ATOM 275 CB ILE A 20 4.815 -12.883 -3.905 1.00 3.12 C ATOM 276 CG1 ILE A 20 6.002 -13.824 -3.686 1.00 3.18 C ATOM 277 CG2 ILE A 20 5.262 -11.707 -4.780 1.00 3.14 C ATOM 278 CD1 ILE A 20 6.300 -14.586 -4.980 1.00 3.30 C ATOM 0 H ILE A 20 3.656 -14.399 -2.439 1.00 3.08 H new ATOM 0 HA ILE A 20 5.133 -11.940 -1.970 1.00 3.03 H new ATOM 0 HB ILE A 20 4.005 -13.416 -4.403 1.00 3.12 H new ATOM 0 HG12 ILE A 20 6.879 -13.254 -3.378 1.00 3.18 H new ATOM 0 HG13 ILE A 20 5.779 -14.526 -2.882 1.00 3.18 H new ATOM 0 HG21 ILE A 20 5.615 -12.082 -5.741 1.00 3.14 H new ATOM 0 HG22 ILE A 20 4.421 -11.033 -4.941 1.00 3.14 H new ATOM 0 HG23 ILE A 20 6.068 -11.169 -4.282 1.00 3.14 H new ATOM 0 HD11 ILE A 20 7.146 -15.255 -4.822 1.00 3.30 H new ATOM 0 HD12 ILE A 20 5.425 -15.169 -5.269 1.00 3.30 H new ATOM 0 HD13 ILE A 20 6.542 -13.877 -5.772 1.00 3.30 H new ATOM 290 N LEU A 21 2.120 -11.627 -3.250 1.00 3.06 N ATOM 291 CA LEU A 21 1.036 -10.614 -3.430 1.00 3.06 C ATOM 292 C LEU A 21 0.645 -10.061 -2.050 1.00 2.99 C ATOM 293 O LEU A 21 0.492 -8.865 -1.876 1.00 2.93 O ATOM 294 CB LEU A 21 -0.118 -11.362 -4.139 1.00 3.22 C ATOM 295 CG LEU A 21 -1.345 -11.524 -3.229 1.00 3.26 C ATOM 296 CD1 LEU A 21 -2.119 -10.206 -3.160 1.00 3.27 C ATOM 297 CD2 LEU A 21 -2.258 -12.606 -3.805 1.00 3.43 C ATOM 0 H LEU A 21 1.888 -12.571 -3.559 1.00 3.06 H new ATOM 0 HA LEU A 21 1.331 -9.754 -4.031 1.00 3.06 H new ATOM 0 HB2 LEU A 21 -0.404 -10.818 -5.039 1.00 3.22 H new ATOM 0 HB3 LEU A 21 0.229 -12.345 -4.458 1.00 3.22 H new ATOM 0 HG LEU A 21 -1.015 -11.804 -2.229 1.00 3.26 H new ATOM 0 HD11 LEU A 21 -2.988 -10.328 -2.513 1.00 3.27 H new ATOM 0 HD12 LEU A 21 -1.473 -9.426 -2.757 1.00 3.27 H new ATOM 0 HD13 LEU A 21 -2.448 -9.924 -4.160 1.00 3.27 H new ATOM 0 HD21 LEU A 21 -3.131 -12.725 -3.163 1.00 3.43 H new ATOM 0 HD22 LEU A 21 -2.580 -12.316 -4.805 1.00 3.43 H new ATOM 0 HD23 LEU A 21 -1.715 -13.550 -3.858 1.00 3.43 H new ATOM 309 N ILE A 22 0.517 -10.918 -1.060 1.00 3.00 N ATOM 310 CA ILE A 22 0.174 -10.427 0.312 1.00 2.97 C ATOM 311 C ILE A 22 1.269 -9.468 0.791 1.00 2.83 C ATOM 312 O ILE A 22 0.990 -8.402 1.309 1.00 2.78 O ATOM 313 CB ILE A 22 0.106 -11.680 1.198 1.00 3.05 C ATOM 314 CG1 ILE A 22 -1.265 -12.345 1.036 1.00 3.20 C ATOM 315 CG2 ILE A 22 0.301 -11.293 2.670 1.00 3.02 C ATOM 316 CD1 ILE A 22 -1.275 -13.687 1.774 1.00 3.31 C ATOM 0 H ILE A 22 0.635 -11.928 -1.144 1.00 3.00 H new ATOM 0 HA ILE A 22 -0.770 -9.883 0.340 1.00 2.97 H new ATOM 0 HB ILE A 22 0.894 -12.370 0.897 1.00 3.05 H new ATOM 0 HG12 ILE A 22 -2.045 -11.695 1.432 1.00 3.20 H new ATOM 0 HG13 ILE A 22 -1.484 -12.498 -0.021 1.00 3.20 H new ATOM 0 HG21 ILE A 22 0.251 -12.187 3.291 1.00 3.02 H new ATOM 0 HG22 ILE A 22 1.274 -10.818 2.795 1.00 3.02 H new ATOM 0 HG23 ILE A 22 -0.484 -10.599 2.971 1.00 3.02 H new ATOM 0 HD11 ILE A 22 -2.251 -14.159 1.658 1.00 3.31 H new ATOM 0 HD12 ILE A 22 -0.506 -14.337 1.357 1.00 3.31 H new ATOM 0 HD13 ILE A 22 -1.076 -13.521 2.833 1.00 3.31 H new ATOM 328 N ALA A 23 2.509 -9.834 0.596 1.00 2.81 N ATOM 329 CA ALA A 23 3.632 -8.941 1.015 1.00 2.73 C ATOM 330 C ALA A 23 3.587 -7.639 0.207 1.00 2.66 C ATOM 331 O ALA A 23 3.692 -6.560 0.756 1.00 2.59 O ATOM 332 CB ALA A 23 4.908 -9.733 0.715 1.00 2.79 C ATOM 0 H ALA A 23 2.794 -10.713 0.164 1.00 2.81 H new ATOM 0 HA ALA A 23 3.577 -8.663 2.067 1.00 2.73 H new ATOM 0 HB1 ALA A 23 5.779 -9.141 0.997 1.00 2.79 H new ATOM 0 HB2 ALA A 23 4.902 -10.662 1.284 1.00 2.79 H new ATOM 0 HB3 ALA A 23 4.953 -9.960 -0.350 1.00 2.79 H new ATOM 338 N ILE A 24 3.408 -7.732 -1.089 1.00 2.71 N ATOM 339 CA ILE A 24 3.327 -6.494 -1.928 1.00 2.69 C ATOM 340 C ILE A 24 2.159 -5.631 -1.439 1.00 2.64 C ATOM 341 O ILE A 24 2.291 -4.432 -1.259 1.00 2.57 O ATOM 342 CB ILE A 24 3.085 -6.991 -3.361 1.00 2.80 C ATOM 343 CG1 ILE A 24 4.376 -7.602 -3.922 1.00 2.86 C ATOM 344 CG2 ILE A 24 2.646 -5.825 -4.253 1.00 2.85 C ATOM 345 CD1 ILE A 24 5.452 -6.521 -4.071 1.00 2.86 C ATOM 0 H ILE A 24 3.315 -8.609 -1.601 1.00 2.71 H new ATOM 0 HA ILE A 24 4.228 -5.883 -1.872 1.00 2.69 H new ATOM 0 HB ILE A 24 2.300 -7.747 -3.345 1.00 2.80 H new ATOM 0 HG12 ILE A 24 4.732 -8.391 -3.259 1.00 2.86 H new ATOM 0 HG13 ILE A 24 4.178 -8.064 -4.889 1.00 2.86 H new ATOM 0 HG21 ILE A 24 2.477 -6.187 -5.267 1.00 2.85 H new ATOM 0 HG22 ILE A 24 1.724 -5.395 -3.862 1.00 2.85 H new ATOM 0 HG23 ILE A 24 3.425 -5.063 -4.265 1.00 2.85 H new ATOM 0 HD11 ILE A 24 6.363 -6.967 -4.470 1.00 2.86 H new ATOM 0 HD12 ILE A 24 5.098 -5.747 -4.752 1.00 2.86 H new ATOM 0 HD13 ILE A 24 5.661 -6.079 -3.097 1.00 2.86 H new ATOM 357 N ALA A 25 1.021 -6.239 -1.202 1.00 2.71 N ATOM 358 CA ALA A 25 -0.155 -5.467 -0.701 1.00 2.71 C ATOM 359 C ALA A 25 0.156 -4.889 0.680 1.00 2.61 C ATOM 360 O ALA A 25 -0.080 -3.723 0.940 1.00 2.55 O ATOM 361 CB ALA A 25 -1.303 -6.478 -0.633 1.00 2.86 C ATOM 0 H ALA A 25 0.858 -7.237 -1.335 1.00 2.71 H new ATOM 0 HA ALA A 25 -0.409 -4.625 -1.346 1.00 2.71 H new ATOM 0 HB1 ALA A 25 -2.204 -5.982 -0.272 1.00 2.86 H new ATOM 0 HB2 ALA A 25 -1.487 -6.887 -1.627 1.00 2.86 H new ATOM 0 HB3 ALA A 25 -1.036 -7.286 0.048 1.00 2.86 H new ATOM 367 N ALA A 26 0.713 -5.685 1.555 1.00 2.61 N ATOM 368 CA ALA A 26 1.074 -5.167 2.912 1.00 2.55 C ATOM 369 C ALA A 26 2.087 -4.031 2.751 1.00 2.44 C ATOM 370 O ALA A 26 1.987 -3.003 3.391 1.00 2.40 O ATOM 371 CB ALA A 26 1.690 -6.355 3.659 1.00 2.61 C ATOM 0 H ALA A 26 0.934 -6.667 1.392 1.00 2.61 H new ATOM 0 HA ALA A 26 0.217 -4.772 3.458 1.00 2.55 H new ATOM 0 HB1 ALA A 26 1.978 -6.044 4.663 1.00 2.61 H new ATOM 0 HB2 ALA A 26 0.960 -7.162 3.724 1.00 2.61 H new ATOM 0 HB3 ALA A 26 2.571 -6.705 3.121 1.00 2.61 H new ATOM 377 N LEU A 27 3.038 -4.203 1.867 1.00 2.42 N ATOM 378 CA LEU A 27 4.044 -3.139 1.609 1.00 2.34 C ATOM 379 C LEU A 27 3.322 -1.884 1.112 1.00 2.29 C ATOM 380 O LEU A 27 3.471 -0.810 1.667 1.00 2.22 O ATOM 381 CB LEU A 27 4.931 -3.744 0.516 1.00 2.42 C ATOM 382 CG LEU A 27 6.087 -2.812 0.161 1.00 2.41 C ATOM 383 CD1 LEU A 27 5.580 -1.632 -0.669 1.00 2.44 C ATOM 384 CD2 LEU A 27 6.759 -2.295 1.435 1.00 2.46 C ATOM 0 H LEU A 27 3.158 -5.048 1.308 1.00 2.42 H new ATOM 0 HA LEU A 27 4.621 -2.844 2.485 1.00 2.34 H new ATOM 0 HB2 LEU A 27 5.325 -4.703 0.853 1.00 2.42 H new ATOM 0 HB3 LEU A 27 4.333 -3.940 -0.374 1.00 2.42 H new ATOM 0 HG LEU A 27 6.816 -3.372 -0.425 1.00 2.41 H new ATOM 0 HD11 LEU A 27 6.414 -0.975 -0.915 1.00 2.44 H new ATOM 0 HD12 LEU A 27 5.126 -2.002 -1.588 1.00 2.44 H new ATOM 0 HD13 LEU A 27 4.838 -1.076 -0.096 1.00 2.44 H new ATOM 0 HD21 LEU A 27 7.582 -1.631 1.169 1.00 2.46 H new ATOM 0 HD22 LEU A 27 6.031 -1.748 2.034 1.00 2.46 H new ATOM 0 HD23 LEU A 27 7.144 -3.137 2.011 1.00 2.46 H new ATOM 396 N GLY A 28 2.519 -2.024 0.081 1.00 2.35 N ATOM 397 CA GLY A 28 1.756 -0.850 -0.443 1.00 2.35 C ATOM 398 C GLY A 28 0.934 -0.243 0.698 1.00 2.30 C ATOM 399 O GLY A 28 0.900 0.963 0.875 1.00 2.24 O ATOM 0 H GLY A 28 2.361 -2.900 -0.417 1.00 2.35 H new ATOM 0 HA2 GLY A 28 2.441 -0.107 -0.851 1.00 2.35 H new ATOM 0 HA3 GLY A 28 1.100 -1.159 -1.257 1.00 2.35 H new ATOM 403 N ALA A 29 0.290 -1.071 1.492 1.00 2.35 N ATOM 404 CA ALA A 29 -0.510 -0.541 2.638 1.00 2.35 C ATOM 405 C ALA A 29 0.412 0.182 3.621 1.00 2.24 C ATOM 406 O ALA A 29 0.117 1.272 4.075 1.00 2.19 O ATOM 407 CB ALA A 29 -1.154 -1.771 3.285 1.00 2.50 C ATOM 0 H ALA A 29 0.286 -2.086 1.393 1.00 2.35 H new ATOM 0 HA ALA A 29 -1.265 0.180 2.324 1.00 2.35 H new ATOM 0 HB1 ALA A 29 -1.759 -1.459 4.137 1.00 2.50 H new ATOM 0 HB2 ALA A 29 -1.787 -2.276 2.556 1.00 2.50 H new ATOM 0 HB3 ALA A 29 -0.375 -2.454 3.624 1.00 2.50 H new ATOM 413 N LEU A 30 1.537 -0.406 3.927 1.00 2.22 N ATOM 414 CA LEU A 30 2.503 0.252 4.860 1.00 2.16 C ATOM 415 C LEU A 30 2.924 1.610 4.286 1.00 2.05 C ATOM 416 O LEU A 30 3.013 2.592 4.996 1.00 2.01 O ATOM 417 CB LEU A 30 3.705 -0.698 4.936 1.00 2.22 C ATOM 418 CG LEU A 30 3.501 -1.700 6.074 1.00 2.37 C ATOM 419 CD1 LEU A 30 4.372 -2.932 5.833 1.00 2.49 C ATOM 420 CD2 LEU A 30 3.899 -1.050 7.399 1.00 2.47 C ATOM 0 H LEU A 30 1.831 -1.316 3.571 1.00 2.22 H new ATOM 0 HA LEU A 30 2.075 0.432 5.846 1.00 2.16 H new ATOM 0 HB2 LEU A 30 3.823 -1.227 3.990 1.00 2.22 H new ATOM 0 HB3 LEU A 30 4.620 -0.129 5.099 1.00 2.22 H new ATOM 0 HG LEU A 30 2.453 -1.998 6.112 1.00 2.37 H new ATOM 0 HD11 LEU A 30 4.226 -3.645 6.644 1.00 2.49 H new ATOM 0 HD12 LEU A 30 4.092 -3.396 4.887 1.00 2.49 H new ATOM 0 HD13 LEU A 30 5.420 -2.635 5.795 1.00 2.49 H new ATOM 0 HD21 LEU A 30 3.754 -1.762 8.211 1.00 2.47 H new ATOM 0 HD22 LEU A 30 4.947 -0.754 7.358 1.00 2.47 H new ATOM 0 HD23 LEU A 30 3.280 -0.170 7.573 1.00 2.47 H new ATOM 432 N ILE A 31 3.157 1.672 2.997 1.00 2.04 N ATOM 433 CA ILE A 31 3.550 2.970 2.362 1.00 1.96 C ATOM 434 C ILE A 31 2.356 3.932 2.373 1.00 1.94 C ATOM 435 O ILE A 31 2.499 5.107 2.651 1.00 1.89 O ATOM 436 CB ILE A 31 3.971 2.604 0.934 1.00 2.01 C ATOM 437 CG1 ILE A 31 5.353 1.945 0.998 1.00 2.11 C ATOM 438 CG2 ILE A 31 4.026 3.864 0.060 1.00 2.09 C ATOM 439 CD1 ILE A 31 5.976 1.869 -0.396 1.00 2.31 C ATOM 0 H ILE A 31 3.092 0.880 2.357 1.00 2.04 H new ATOM 0 HA ILE A 31 4.359 3.475 2.890 1.00 1.96 H new ATOM 0 HB ILE A 31 3.248 1.917 0.494 1.00 2.01 H new ATOM 0 HG12 ILE A 31 6.003 2.514 1.663 1.00 2.11 H new ATOM 0 HG13 ILE A 31 5.265 0.943 1.419 1.00 2.11 H new ATOM 0 HG21 ILE A 31 4.326 3.592 -0.952 1.00 2.09 H new ATOM 0 HG22 ILE A 31 3.042 4.332 0.033 1.00 2.09 H new ATOM 0 HG23 ILE A 31 4.749 4.565 0.477 1.00 2.09 H new ATOM 0 HD11 ILE A 31 6.957 1.398 -0.331 1.00 2.31 H new ATOM 0 HD12 ILE A 31 5.333 1.280 -1.050 1.00 2.31 H new ATOM 0 HD13 ILE A 31 6.083 2.875 -0.802 1.00 2.31 H new ATOM 451 N LEU A 32 1.178 3.432 2.096 1.00 2.03 N ATOM 452 CA LEU A 32 -0.037 4.306 2.114 1.00 2.07 C ATOM 453 C LEU A 32 -0.322 4.792 3.544 1.00 2.06 C ATOM 454 O LEU A 32 -0.644 5.938 3.766 1.00 2.05 O ATOM 455 CB LEU A 32 -1.177 3.413 1.616 1.00 2.22 C ATOM 456 CG LEU A 32 -1.766 4.000 0.332 1.00 2.76 C ATOM 457 CD1 LEU A 32 -1.537 3.025 -0.822 1.00 3.29 C ATOM 458 CD2 LEU A 32 -3.267 4.227 0.518 1.00 2.94 C ATOM 0 H LEU A 32 1.004 2.456 1.858 1.00 2.03 H new ATOM 0 HA LEU A 32 0.086 5.194 1.495 1.00 2.07 H new ATOM 0 HB2 LEU A 32 -0.808 2.404 1.431 1.00 2.22 H new ATOM 0 HB3 LEU A 32 -1.951 3.334 2.380 1.00 2.22 H new ATOM 0 HG LEU A 32 -1.280 4.950 0.108 1.00 2.76 H new ATOM 0 HD11 LEU A 32 -1.956 3.441 -1.738 1.00 3.29 H new ATOM 0 HD12 LEU A 32 -0.467 2.862 -0.953 1.00 3.29 H new ATOM 0 HD13 LEU A 32 -2.024 2.076 -0.599 1.00 3.29 H new ATOM 0 HD21 LEU A 32 -3.688 4.645 -0.396 1.00 2.94 H new ATOM 0 HD22 LEU A 32 -3.754 3.277 0.740 1.00 2.94 H new ATOM 0 HD23 LEU A 32 -3.431 4.920 1.343 1.00 2.94 H new ATOM 470 N GLY A 33 -0.210 3.924 4.519 1.00 2.11 N ATOM 471 CA GLY A 33 -0.480 4.341 5.931 1.00 2.16 C ATOM 472 C GLY A 33 0.639 5.260 6.446 1.00 2.06 C ATOM 473 O GLY A 33 0.384 6.204 7.166 1.00 2.08 O ATOM 0 H GLY A 33 0.056 2.947 4.399 1.00 2.11 H new ATOM 0 HA2 GLY A 33 -1.438 4.859 5.986 1.00 2.16 H new ATOM 0 HA3 GLY A 33 -0.557 3.460 6.568 1.00 2.16 H new ATOM 988 N GLN A 66 -11.091 13.692 -7.914 1.00 2.55 N ATOM 989 CA GLN A 66 -10.667 12.266 -7.806 1.00 2.74 C ATOM 990 C GLN A 66 -11.872 11.418 -7.419 1.00 2.68 C ATOM 991 O GLN A 66 -12.223 10.474 -8.108 1.00 2.82 O ATOM 992 CB GLN A 66 -9.599 12.228 -6.708 1.00 2.83 C ATOM 993 CG GLN A 66 -8.209 12.372 -7.339 1.00 3.05 C ATOM 994 CD GLN A 66 -7.793 11.047 -7.981 1.00 3.36 C ATOM 995 OE1 GLN A 66 -8.527 10.480 -8.768 1.00 3.39 O ATOM 996 NE2 GLN A 66 -6.645 10.520 -7.681 1.00 3.68 N ATOM 0 HA GLN A 66 -10.272 11.875 -8.744 1.00 2.74 H new ATOM 0 HB2 GLN A 66 -9.770 13.032 -5.992 1.00 2.83 H new ATOM 0 HB3 GLN A 66 -9.664 11.291 -6.156 1.00 2.83 H new ATOM 0 HG2 GLN A 66 -8.220 13.163 -8.089 1.00 3.05 H new ATOM 0 HG3 GLN A 66 -7.483 12.663 -6.580 1.00 3.05 H new ATOM 0 HE21 GLN A 66 -6.025 10.990 -7.022 1.00 3.68 H new ATOM 0 HE22 GLN A 66 -6.363 9.636 -8.105 1.00 3.68 H new ATOM 1005 N TYR A 67 -12.521 11.773 -6.340 1.00 2.51 N ATOM 1006 CA TYR A 67 -13.736 11.027 -5.897 1.00 2.47 C ATOM 1007 C TYR A 67 -14.846 11.208 -6.932 1.00 2.48 C ATOM 1008 O TYR A 67 -15.539 10.271 -7.282 1.00 2.58 O ATOM 1009 CB TYR A 67 -14.130 11.652 -4.556 1.00 2.33 C ATOM 1010 CG TYR A 67 -14.869 10.631 -3.724 1.00 2.29 C ATOM 1011 CD1 TYR A 67 -16.254 10.481 -3.866 1.00 2.20 C ATOM 1012 CD2 TYR A 67 -14.171 9.836 -2.809 1.00 2.63 C ATOM 1013 CE1 TYR A 67 -16.937 9.534 -3.092 1.00 2.37 C ATOM 1014 CE2 TYR A 67 -14.855 8.892 -2.036 1.00 2.78 C ATOM 1015 CZ TYR A 67 -16.238 8.742 -2.177 1.00 2.61 C ATOM 1016 OH TYR A 67 -16.911 7.815 -1.412 1.00 2.92 O ATOM 0 H TYR A 67 -12.258 12.556 -5.741 1.00 2.51 H new ATOM 0 HA TYR A 67 -13.559 9.956 -5.795 1.00 2.47 H new ATOM 0 HB2 TYR A 67 -13.241 11.994 -4.026 1.00 2.33 H new ATOM 0 HB3 TYR A 67 -14.759 12.527 -4.721 1.00 2.33 H new ATOM 0 HD1 TYR A 67 -16.795 11.095 -4.571 1.00 2.20 H new ATOM 0 HD2 TYR A 67 -13.103 9.951 -2.699 1.00 2.63 H new ATOM 0 HE1 TYR A 67 -18.005 9.416 -3.202 1.00 2.37 H new ATOM 0 HE2 TYR A 67 -14.315 8.279 -1.330 1.00 2.78 H new ATOM 0 HH TYR A 67 -16.276 7.349 -0.829 1.00 2.92 H new ATOM 1026 N SER A 68 -14.990 12.406 -7.444 1.00 2.42 N ATOM 1027 CA SER A 68 -16.027 12.668 -8.494 1.00 2.54 C ATOM 1028 C SER A 68 -15.815 11.702 -9.660 1.00 2.77 C ATOM 1029 O SER A 68 -16.754 11.269 -10.286 1.00 2.93 O ATOM 1030 CB SER A 68 -15.809 14.109 -8.953 1.00 2.53 C ATOM 1031 OG SER A 68 -16.141 14.995 -7.893 1.00 2.40 O ATOM 0 H SER A 68 -14.432 13.218 -7.179 1.00 2.42 H new ATOM 0 HA SER A 68 -17.040 12.526 -8.117 1.00 2.54 H new ATOM 0 HB2 SER A 68 -14.771 14.254 -9.252 1.00 2.53 H new ATOM 0 HB3 SER A 68 -16.425 14.322 -9.827 1.00 2.53 H new ATOM 0 HG SER A 68 -16.001 15.920 -8.184 1.00 2.40 H new ATOM 1037 N ALA A 69 -14.582 11.350 -9.937 1.00 2.85 N ATOM 1038 CA ALA A 69 -14.306 10.383 -11.040 1.00 3.13 C ATOM 1039 C ALA A 69 -14.542 8.953 -10.535 1.00 3.17 C ATOM 1040 O ALA A 69 -15.096 8.123 -11.229 1.00 3.34 O ATOM 1041 CB ALA A 69 -12.836 10.601 -11.409 1.00 3.29 C ATOM 0 H ALA A 69 -13.756 11.692 -9.445 1.00 2.85 H new ATOM 0 HA ALA A 69 -14.955 10.531 -11.903 1.00 3.13 H new ATOM 0 HB1 ALA A 69 -12.559 9.923 -12.216 1.00 3.29 H new ATOM 0 HB2 ALA A 69 -12.692 11.631 -11.735 1.00 3.29 H new ATOM 0 HB3 ALA A 69 -12.209 10.404 -10.539 1.00 3.29 H new ATOM 1047 N LYS A 70 -14.131 8.670 -9.323 1.00 3.05 N ATOM 1048 CA LYS A 70 -14.331 7.295 -8.746 1.00 3.12 C ATOM 1049 C LYS A 70 -15.812 6.933 -8.714 1.00 3.05 C ATOM 1050 O LYS A 70 -16.209 5.883 -9.172 1.00 3.22 O ATOM 1051 CB LYS A 70 -13.802 7.352 -7.307 1.00 3.03 C ATOM 1052 CG LYS A 70 -12.302 7.660 -7.270 1.00 3.16 C ATOM 1053 CD LYS A 70 -11.619 7.221 -8.572 1.00 3.45 C ATOM 1054 CE LYS A 70 -10.226 7.840 -8.639 1.00 3.58 C ATOM 1055 NZ LYS A 70 -10.424 9.163 -9.297 1.00 3.36 N ATOM 0 H LYS A 70 -13.664 9.332 -8.703 1.00 3.05 H new ATOM 0 HA LYS A 70 -13.814 6.548 -9.348 1.00 3.12 H new ATOM 0 HB2 LYS A 70 -14.345 8.115 -6.749 1.00 3.03 H new ATOM 0 HB3 LYS A 70 -13.991 6.400 -6.811 1.00 3.03 H new ATOM 0 HG2 LYS A 70 -12.150 8.729 -7.118 1.00 3.16 H new ATOM 0 HG3 LYS A 70 -11.843 7.149 -6.424 1.00 3.16 H new ATOM 0 HD2 LYS A 70 -11.550 6.134 -8.612 1.00 3.45 H new ATOM 0 HD3 LYS A 70 -12.211 7.535 -9.432 1.00 3.45 H new ATOM 0 HE2 LYS A 70 -9.796 7.954 -7.644 1.00 3.58 H new ATOM 0 HE3 LYS A 70 -9.542 7.213 -9.211 1.00 3.58 H new ATOM 0 HZ1 LYS A 70 -9.578 9.752 -9.155 1.00 3.36 H new ATOM 0 HZ2 LYS A 70 -10.582 9.024 -10.316 1.00 3.36 H new ATOM 0 HZ3 LYS A 70 -11.250 9.638 -8.880 1.00 3.36 H new ATOM 1069 N GLY A 71 -16.614 7.796 -8.154 1.00 2.84 N ATOM 1070 CA GLY A 71 -18.093 7.536 -8.048 1.00 2.83 C ATOM 1071 C GLY A 71 -18.627 6.876 -9.328 1.00 3.07 C ATOM 1072 O GLY A 71 -19.065 5.739 -9.296 1.00 3.16 O ATOM 0 H GLY A 71 -16.310 8.685 -7.757 1.00 2.84 H new ATOM 0 HA2 GLY A 71 -18.293 6.892 -7.192 1.00 2.83 H new ATOM 0 HA3 GLY A 71 -18.619 8.474 -7.871 1.00 2.83 H new ATOM 1076 N PRO A 72 -18.565 7.605 -10.418 1.00 3.20 N ATOM 1077 CA PRO A 72 -19.044 7.076 -11.721 1.00 3.50 C ATOM 1078 C PRO A 72 -18.172 5.898 -12.181 1.00 3.67 C ATOM 1079 O PRO A 72 -18.680 4.924 -12.693 1.00 3.85 O ATOM 1080 CB PRO A 72 -18.924 8.274 -12.664 1.00 3.63 C ATOM 1081 CG PRO A 72 -17.889 9.143 -12.033 1.00 3.41 C ATOM 1082 CD PRO A 72 -18.048 8.970 -10.547 1.00 3.14 C ATOM 0 HA PRO A 72 -20.061 6.685 -11.680 1.00 3.50 H new ATOM 0 HB2 PRO A 72 -18.625 7.963 -13.665 1.00 3.63 H new ATOM 0 HB3 PRO A 72 -19.875 8.798 -12.764 1.00 3.63 H new ATOM 0 HG2 PRO A 72 -16.888 8.853 -12.354 1.00 3.41 H new ATOM 0 HG3 PRO A 72 -18.027 10.185 -12.321 1.00 3.41 H new ATOM 0 HD2 PRO A 72 -17.099 9.091 -10.024 1.00 3.14 H new ATOM 0 HD3 PRO A 72 -18.738 9.702 -10.129 1.00 3.14 H new ATOM 1090 N CYS A 73 -16.872 5.963 -11.986 1.00 3.65 N ATOM 1091 CA CYS A 73 -15.993 4.820 -12.403 1.00 3.89 C ATOM 1092 C CYS A 73 -16.357 3.570 -11.596 1.00 3.86 C ATOM 1093 O CYS A 73 -16.506 2.487 -12.135 1.00 4.08 O ATOM 1094 CB CYS A 73 -14.560 5.264 -12.096 1.00 3.89 C ATOM 1095 SG CYS A 73 -13.436 4.576 -13.337 1.00 4.25 S ATOM 0 H CYS A 73 -16.386 6.752 -11.560 1.00 3.65 H new ATOM 0 HA CYS A 73 -16.111 4.573 -13.458 1.00 3.89 H new ATOM 0 HB2 CYS A 73 -14.497 6.352 -12.096 1.00 3.89 H new ATOM 0 HB3 CYS A 73 -14.269 4.928 -11.101 1.00 3.89 H new ATOM 0 HG CYS A 73 -12.220 4.955 -13.078 1.00 4.25 H new ATOM 1101 N VAL A 74 -16.531 3.728 -10.311 1.00 3.60 N ATOM 1102 CA VAL A 74 -16.918 2.573 -9.443 1.00 3.59 C ATOM 1103 C VAL A 74 -18.330 2.133 -9.815 1.00 3.61 C ATOM 1104 O VAL A 74 -18.593 0.965 -10.026 1.00 3.78 O ATOM 1105 CB VAL A 74 -16.865 3.105 -8.003 1.00 3.36 C ATOM 1106 CG1 VAL A 74 -17.550 2.117 -7.055 1.00 3.37 C ATOM 1107 CG2 VAL A 74 -15.405 3.279 -7.575 1.00 3.46 C ATOM 0 H VAL A 74 -16.421 4.615 -9.819 1.00 3.60 H new ATOM 0 HA VAL A 74 -16.261 1.711 -9.561 1.00 3.59 H new ATOM 0 HB VAL A 74 -17.380 4.065 -7.961 1.00 3.36 H new ATOM 0 HG11 VAL A 74 -17.508 2.502 -6.036 1.00 3.37 H new ATOM 0 HG12 VAL A 74 -18.591 1.990 -7.352 1.00 3.37 H new ATOM 0 HG13 VAL A 74 -17.039 1.155 -7.101 1.00 3.37 H new ATOM 0 HG21 VAL A 74 -15.368 3.657 -6.553 1.00 3.46 H new ATOM 0 HG22 VAL A 74 -14.894 2.318 -7.625 1.00 3.46 H new ATOM 0 HG23 VAL A 74 -14.912 3.987 -8.241 1.00 3.46 H new ATOM 1117 N GLU A 75 -19.226 3.075 -9.928 1.00 3.49 N ATOM 1118 CA GLU A 75 -20.628 2.745 -10.325 1.00 3.60 C ATOM 1119 C GLU A 75 -20.617 2.035 -11.685 1.00 3.90 C ATOM 1120 O GLU A 75 -21.346 1.087 -11.914 1.00 4.03 O ATOM 1121 CB GLU A 75 -21.335 4.103 -10.406 1.00 3.55 C ATOM 1122 CG GLU A 75 -22.795 3.914 -10.832 1.00 3.68 C ATOM 1123 CD GLU A 75 -23.007 4.500 -12.226 1.00 4.10 C ATOM 1124 OE1 GLU A 75 -22.635 5.642 -12.445 1.00 4.27 O ATOM 1125 OE2 GLU A 75 -23.534 3.790 -13.070 1.00 4.37 O ATOM 0 H GLU A 75 -19.048 4.065 -9.762 1.00 3.49 H new ATOM 0 HA GLU A 75 -21.131 2.077 -9.626 1.00 3.60 H new ATOM 0 HB2 GLU A 75 -21.293 4.602 -9.438 1.00 3.55 H new ATOM 0 HB3 GLU A 75 -20.821 4.747 -11.119 1.00 3.55 H new ATOM 0 HG2 GLU A 75 -23.050 2.854 -10.830 1.00 3.68 H new ATOM 0 HG3 GLU A 75 -23.458 4.402 -10.118 1.00 3.68 H new ATOM 1132 N ARG A 76 -19.769 2.481 -12.574 1.00 4.03 N ATOM 1133 CA ARG A 76 -19.660 1.845 -13.922 1.00 4.35 C ATOM 1134 C ARG A 76 -19.180 0.403 -13.792 1.00 4.46 C ATOM 1135 O ARG A 76 -19.882 -0.527 -14.132 1.00 4.62 O ATOM 1136 CB ARG A 76 -18.607 2.660 -14.672 1.00 4.48 C ATOM 1137 CG ARG A 76 -19.107 2.989 -16.073 1.00 4.79 C ATOM 1138 CD ARG A 76 -18.991 4.494 -16.284 1.00 4.69 C ATOM 1139 NE ARG A 76 -20.399 4.977 -16.393 1.00 4.76 N ATOM 1140 CZ ARG A 76 -21.180 4.951 -15.357 1.00 4.59 C ATOM 1141 NH1 ARG A 76 -21.089 5.876 -14.457 1.00 4.34 N ATOM 1142 NH2 ARG A 76 -22.050 3.999 -15.231 1.00 4.75 N ATOM 0 H ARG A 76 -19.139 3.269 -12.422 1.00 4.03 H new ATOM 0 HA ARG A 76 -20.622 1.831 -14.435 1.00 4.35 H new ATOM 0 HB2 ARG A 76 -18.391 3.580 -14.128 1.00 4.48 H new ATOM 0 HB3 ARG A 76 -17.675 2.099 -14.732 1.00 4.48 H new ATOM 0 HG2 ARG A 76 -18.520 2.455 -16.820 1.00 4.79 H new ATOM 0 HG3 ARG A 76 -20.142 2.668 -16.191 1.00 4.79 H new ATOM 0 HD2 ARG A 76 -18.473 4.971 -15.452 1.00 4.69 H new ATOM 0 HD3 ARG A 76 -18.424 4.724 -17.186 1.00 4.69 H new ATOM 0 HE ARG A 76 -20.748 5.329 -17.284 1.00 4.76 H new ATOM 0 HH11 ARG A 76 -20.404 6.624 -14.562 1.00 4.34 H new ATOM 0 HH12 ARG A 76 -21.702 5.857 -13.642 1.00 4.34 H new ATOM 0 HH21 ARG A 76 -22.119 3.274 -15.945 1.00 4.75 H new ATOM 0 HH22 ARG A 76 -22.666 3.975 -14.418 1.00 4.75 H new ATOM 1156 N LYS A 77 -17.975 0.217 -13.310 1.00 4.42 N ATOM 1157 CA LYS A 77 -17.432 -1.169 -13.165 1.00 4.59 C ATOM 1158 C LYS A 77 -18.319 -2.009 -12.237 1.00 4.47 C ATOM 1159 O LYS A 77 -18.467 -3.198 -12.429 1.00 4.67 O ATOM 1160 CB LYS A 77 -16.004 -1.013 -12.617 1.00 4.59 C ATOM 1161 CG LYS A 77 -16.019 -0.431 -11.202 1.00 4.30 C ATOM 1162 CD LYS A 77 -15.312 -1.397 -10.251 1.00 4.49 C ATOM 1163 CE LYS A 77 -16.047 -1.422 -8.906 1.00 4.24 C ATOM 1164 NZ LYS A 77 -16.362 -2.860 -8.642 1.00 4.44 N ATOM 0 H LYS A 77 -17.346 0.963 -13.012 1.00 4.42 H new ATOM 0 HA LYS A 77 -17.418 -1.699 -14.118 1.00 4.59 H new ATOM 0 HB2 LYS A 77 -15.506 -1.982 -12.610 1.00 4.59 H new ATOM 0 HB3 LYS A 77 -15.427 -0.363 -13.275 1.00 4.59 H new ATOM 0 HG2 LYS A 77 -15.521 0.539 -11.190 1.00 4.30 H new ATOM 0 HG3 LYS A 77 -17.046 -0.267 -10.875 1.00 4.30 H new ATOM 0 HD2 LYS A 77 -15.289 -2.397 -10.683 1.00 4.49 H new ATOM 0 HD3 LYS A 77 -14.277 -1.088 -10.106 1.00 4.49 H new ATOM 0 HE2 LYS A 77 -15.426 -1.006 -8.113 1.00 4.24 H new ATOM 0 HE3 LYS A 77 -16.957 -0.823 -8.946 1.00 4.24 H new ATOM 0 HZ1 LYS A 77 -16.865 -2.944 -7.736 1.00 4.44 H new ATOM 0 HZ2 LYS A 77 -16.962 -3.230 -9.407 1.00 4.44 H new ATOM 0 HZ3 LYS A 77 -15.478 -3.407 -8.599 1.00 4.44 H new ATOM 1178 N ALA A 78 -18.942 -1.397 -11.261 1.00 4.18 N ATOM 1179 CA ALA A 78 -19.852 -2.164 -10.353 1.00 4.10 C ATOM 1180 C ALA A 78 -21.043 -2.675 -11.160 1.00 4.25 C ATOM 1181 O ALA A 78 -21.448 -3.811 -11.041 1.00 4.37 O ATOM 1182 CB ALA A 78 -20.304 -1.164 -9.288 1.00 3.83 C ATOM 0 H ALA A 78 -18.861 -0.402 -11.053 1.00 4.18 H new ATOM 0 HA ALA A 78 -19.366 -3.027 -9.898 1.00 4.10 H new ATOM 0 HB1 ALA A 78 -20.976 -1.659 -8.586 1.00 3.83 H new ATOM 0 HB2 ALA A 78 -19.434 -0.785 -8.752 1.00 3.83 H new ATOM 0 HB3 ALA A 78 -20.825 -0.334 -9.766 1.00 3.83 H new ATOM 1188 N LYS A 79 -21.581 -1.837 -12.002 1.00 4.29 N ATOM 1189 CA LYS A 79 -22.729 -2.257 -12.861 1.00 4.50 C ATOM 1190 C LYS A 79 -22.223 -3.214 -13.944 1.00 4.82 C ATOM 1191 O LYS A 79 -22.761 -4.289 -14.139 1.00 4.97 O ATOM 1192 CB LYS A 79 -23.248 -0.964 -13.493 1.00 4.55 C ATOM 1193 CG LYS A 79 -24.239 -0.289 -12.549 1.00 4.37 C ATOM 1194 CD LYS A 79 -24.924 0.865 -13.278 1.00 4.54 C ATOM 1195 CE LYS A 79 -25.916 1.548 -12.335 1.00 4.45 C ATOM 1196 NZ LYS A 79 -25.866 2.991 -12.707 1.00 4.64 N ATOM 0 H LYS A 79 -21.274 -0.873 -12.134 1.00 4.29 H new ATOM 0 HA LYS A 79 -23.509 -2.772 -12.301 1.00 4.50 H new ATOM 0 HB2 LYS A 79 -22.416 -0.292 -13.703 1.00 4.55 H new ATOM 0 HB3 LYS A 79 -23.730 -1.182 -14.446 1.00 4.55 H new ATOM 0 HG2 LYS A 79 -24.981 -1.010 -12.206 1.00 4.37 H new ATOM 0 HG3 LYS A 79 -23.722 0.081 -11.664 1.00 4.37 H new ATOM 0 HD2 LYS A 79 -24.180 1.583 -13.623 1.00 4.54 H new ATOM 0 HD3 LYS A 79 -25.443 0.494 -14.162 1.00 4.54 H new ATOM 0 HE2 LYS A 79 -26.921 1.143 -12.457 1.00 4.45 H new ATOM 0 HE3 LYS A 79 -25.637 1.399 -11.292 1.00 4.45 H new ATOM 0 HZ1 LYS A 79 -26.282 3.561 -11.943 1.00 4.64 H new ATOM 0 HZ2 LYS A 79 -24.877 3.278 -12.854 1.00 4.64 H new ATOM 0 HZ3 LYS A 79 -26.404 3.142 -13.584 1.00 4.64 H new ATOM 1210 N LEU A 80 -21.174 -2.824 -14.631 1.00 4.93 N ATOM 1211 CA LEU A 80 -20.583 -3.684 -15.702 1.00 5.28 C ATOM 1212 C LEU A 80 -20.265 -5.074 -15.148 1.00 5.32 C ATOM 1213 O LEU A 80 -20.489 -6.077 -15.793 1.00 5.55 O ATOM 1214 CB LEU A 80 -19.303 -2.958 -16.119 1.00 5.37 C ATOM 1215 CG LEU A 80 -18.606 -3.737 -17.235 1.00 5.77 C ATOM 1216 CD1 LEU A 80 -18.755 -2.974 -18.550 1.00 5.89 C ATOM 1217 CD2 LEU A 80 -17.122 -3.891 -16.897 1.00 6.13 C ATOM 0 H LEU A 80 -20.697 -1.933 -14.491 1.00 4.93 H new ATOM 0 HA LEU A 80 -21.261 -3.831 -16.543 1.00 5.28 H new ATOM 0 HB2 LEU A 80 -19.540 -1.950 -16.460 1.00 5.37 H new ATOM 0 HB3 LEU A 80 -18.636 -2.856 -15.263 1.00 5.37 H new ATOM 0 HG LEU A 80 -19.059 -4.724 -17.333 1.00 5.77 H new ATOM 0 HD11 LEU A 80 -18.259 -3.526 -19.349 1.00 5.89 H new ATOM 0 HD12 LEU A 80 -19.813 -2.862 -18.788 1.00 5.89 H new ATOM 0 HD13 LEU A 80 -18.299 -1.989 -18.453 1.00 5.89 H new ATOM 0 HD21 LEU A 80 -16.624 -4.446 -17.692 1.00 6.13 H new ATOM 0 HD22 LEU A 80 -16.666 -2.905 -16.802 1.00 6.13 H new ATOM 0 HD23 LEU A 80 -17.017 -4.431 -15.956 1.00 6.13 H new