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= 0.699 K(o=1.1,f=-18!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ 154:sc= 0.45! (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 156:sc= 1.03 (180deg=0.881) USER MOD ----------------------------------------------------------------- ATOM 174 N VAL A 14 0.888 -21.407 -6.006 1.00 1.25 N ATOM 175 CA VAL A 14 -0.194 -20.447 -5.623 1.00 1.24 C ATOM 176 C VAL A 14 0.090 -19.862 -4.229 1.00 1.31 C ATOM 177 O VAL A 14 -0.171 -18.703 -3.975 1.00 1.33 O ATOM 178 CB VAL A 14 -1.503 -21.253 -5.637 1.00 1.29 C ATOM 179 CG1 VAL A 14 -1.740 -21.842 -7.031 1.00 1.30 C ATOM 180 CG2 VAL A 14 -1.443 -22.391 -4.614 1.00 1.37 C ATOM 0 HA VAL A 14 -0.254 -19.604 -6.311 1.00 1.24 H new ATOM 0 HB VAL A 14 -2.322 -20.582 -5.378 1.00 1.29 H new ATOM 0 HG11 VAL A 14 -2.669 -22.411 -7.032 1.00 1.30 H new ATOM 0 HG12 VAL A 14 -1.808 -21.035 -7.760 1.00 1.30 H new ATOM 0 HG13 VAL A 14 -0.911 -22.499 -7.294 1.00 1.30 H new ATOM 0 HG21 VAL A 14 -2.378 -22.951 -4.638 1.00 1.37 H new ATOM 0 HG22 VAL A 14 -0.615 -23.057 -4.858 1.00 1.37 H new ATOM 0 HG23 VAL A 14 -1.293 -21.977 -3.617 1.00 1.37 H new ATOM 190 N VAL A 15 0.647 -20.643 -3.335 1.00 1.41 N ATOM 191 CA VAL A 15 0.969 -20.105 -1.976 1.00 1.56 C ATOM 192 C VAL A 15 2.102 -19.081 -2.092 1.00 1.54 C ATOM 193 O VAL A 15 2.039 -17.998 -1.537 1.00 1.59 O ATOM 194 CB VAL A 15 1.399 -21.323 -1.144 1.00 1.73 C ATOM 195 CG1 VAL A 15 2.165 -20.867 0.100 1.00 1.94 C ATOM 196 CG2 VAL A 15 0.158 -22.108 -0.707 1.00 1.82 C ATOM 0 H VAL A 15 0.891 -21.622 -3.486 1.00 1.41 H new ATOM 0 HA VAL A 15 0.124 -19.597 -1.511 1.00 1.56 H new ATOM 0 HB VAL A 15 2.044 -21.956 -1.753 1.00 1.73 H new ATOM 0 HG11 VAL A 15 2.465 -21.738 0.682 1.00 1.94 H new ATOM 0 HG12 VAL A 15 3.052 -20.310 -0.203 1.00 1.94 H new ATOM 0 HG13 VAL A 15 1.525 -20.228 0.708 1.00 1.94 H new ATOM 0 HG21 VAL A 15 0.463 -22.972 -0.117 1.00 1.82 H new ATOM 0 HG22 VAL A 15 -0.485 -21.466 -0.105 1.00 1.82 H new ATOM 0 HG23 VAL A 15 -0.388 -22.445 -1.588 1.00 1.82 H new ATOM 206 N THR A 16 3.125 -19.415 -2.831 1.00 1.51 N ATOM 207 CA THR A 16 4.272 -18.470 -3.017 1.00 1.53 C ATOM 208 C THR A 16 3.772 -17.154 -3.613 1.00 1.39 C ATOM 209 O THR A 16 4.043 -16.084 -3.098 1.00 1.43 O ATOM 210 CB THR A 16 5.234 -19.174 -3.982 1.00 1.58 C ATOM 211 OG1 THR A 16 5.743 -20.348 -3.368 1.00 1.75 O ATOM 212 CG2 THR A 16 6.402 -18.246 -4.328 1.00 1.67 C ATOM 0 H THR A 16 3.219 -20.306 -3.318 1.00 1.51 H new ATOM 0 HA THR A 16 4.763 -18.229 -2.074 1.00 1.53 H new ATOM 0 HB THR A 16 4.695 -19.433 -4.893 1.00 1.58 H new ATOM 0 HG1 THR A 16 6.357 -20.800 -3.984 1.00 1.75 H new ATOM 0 HG21 THR A 16 7.080 -18.754 -5.014 1.00 1.67 H new ATOM 0 HG22 THR A 16 6.020 -17.341 -4.800 1.00 1.67 H new ATOM 0 HG23 THR A 16 6.939 -17.981 -3.417 1.00 1.67 H new ATOM 220 N VAL A 17 3.034 -17.225 -4.688 1.00 1.27 N ATOM 221 CA VAL A 17 2.506 -15.977 -5.312 1.00 1.19 C ATOM 222 C VAL A 17 1.524 -15.283 -4.357 1.00 1.23 C ATOM 223 O VAL A 17 1.489 -14.074 -4.284 1.00 1.24 O ATOM 224 CB VAL A 17 1.823 -16.403 -6.621 1.00 1.16 C ATOM 225 CG1 VAL A 17 2.830 -17.129 -7.520 1.00 1.25 C ATOM 226 CG2 VAL A 17 0.641 -17.334 -6.337 1.00 1.17 C ATOM 0 H VAL A 17 2.774 -18.091 -5.160 1.00 1.27 H new ATOM 0 HA VAL A 17 3.299 -15.258 -5.517 1.00 1.19 H new ATOM 0 HB VAL A 17 1.456 -15.508 -7.123 1.00 1.16 H new ATOM 0 HG11 VAL A 17 2.340 -17.429 -8.447 1.00 1.25 H new ATOM 0 HG12 VAL A 17 3.661 -16.462 -7.748 1.00 1.25 H new ATOM 0 HG13 VAL A 17 3.206 -18.013 -7.005 1.00 1.25 H new ATOM 0 HG21 VAL A 17 0.172 -17.624 -7.277 1.00 1.17 H new ATOM 0 HG22 VAL A 17 0.996 -18.225 -5.819 1.00 1.17 H new ATOM 0 HG23 VAL A 17 -0.087 -16.817 -5.712 1.00 1.17 H new ATOM 236 N ILE A 18 0.748 -16.031 -3.602 1.00 1.32 N ATOM 237 CA ILE A 18 -0.197 -15.380 -2.635 1.00 1.45 C ATOM 238 C ILE A 18 0.605 -14.705 -1.528 1.00 1.54 C ATOM 239 O ILE A 18 0.308 -13.599 -1.133 1.00 1.62 O ATOM 240 CB ILE A 18 -1.082 -16.509 -2.084 1.00 1.57 C ATOM 241 CG1 ILE A 18 -2.209 -16.810 -3.083 1.00 1.53 C ATOM 242 CG2 ILE A 18 -1.694 -16.093 -0.742 1.00 1.82 C ATOM 243 CD1 ILE A 18 -3.110 -15.582 -3.244 1.00 1.70 C ATOM 0 H ILE A 18 0.728 -17.051 -3.613 1.00 1.32 H new ATOM 0 HA ILE A 18 -0.812 -14.610 -3.102 1.00 1.45 H new ATOM 0 HB ILE A 18 -0.470 -17.399 -1.938 1.00 1.57 H new ATOM 0 HG12 ILE A 18 -1.786 -17.089 -4.048 1.00 1.53 H new ATOM 0 HG13 ILE A 18 -2.797 -17.659 -2.735 1.00 1.53 H new ATOM 0 HG21 ILE A 18 -2.319 -16.901 -0.361 1.00 1.82 H new ATOM 0 HG22 ILE A 18 -0.897 -15.883 -0.028 1.00 1.82 H new ATOM 0 HG23 ILE A 18 -2.302 -15.199 -0.881 1.00 1.82 H new ATOM 0 HD11 ILE A 18 -3.906 -15.805 -3.954 1.00 1.70 H new ATOM 0 HD12 ILE A 18 -3.547 -15.322 -2.280 1.00 1.70 H new ATOM 0 HD13 ILE A 18 -2.520 -14.743 -3.613 1.00 1.70 H new ATOM 255 N VAL A 19 1.636 -15.342 -1.054 1.00 1.58 N ATOM 256 CA VAL A 19 2.478 -14.703 0.000 1.00 1.71 C ATOM 257 C VAL A 19 3.151 -13.465 -0.601 1.00 1.60 C ATOM 258 O VAL A 19 3.162 -12.405 -0.005 1.00 1.66 O ATOM 259 CB VAL A 19 3.510 -15.765 0.406 1.00 1.83 C ATOM 260 CG1 VAL A 19 4.639 -15.117 1.215 1.00 1.98 C ATOM 261 CG2 VAL A 19 2.830 -16.836 1.265 1.00 2.00 C ATOM 0 H VAL A 19 1.934 -16.273 -1.347 1.00 1.58 H new ATOM 0 HA VAL A 19 1.907 -14.378 0.870 1.00 1.71 H new ATOM 0 HB VAL A 19 3.924 -16.219 -0.494 1.00 1.83 H new ATOM 0 HG11 VAL A 19 5.366 -15.878 1.499 1.00 1.98 H new ATOM 0 HG12 VAL A 19 5.129 -14.354 0.610 1.00 1.98 H new ATOM 0 HG13 VAL A 19 4.226 -14.657 2.113 1.00 1.98 H new ATOM 0 HG21 VAL A 19 3.562 -17.590 1.553 1.00 2.00 H new ATOM 0 HG22 VAL A 19 2.413 -16.374 2.160 1.00 2.00 H new ATOM 0 HG23 VAL A 19 2.030 -17.307 0.694 1.00 2.00 H new ATOM 271 N ILE A 20 3.681 -13.586 -1.795 1.00 1.46 N ATOM 272 CA ILE A 20 4.319 -12.405 -2.455 1.00 1.37 C ATOM 273 C ILE A 20 3.259 -11.323 -2.672 1.00 1.32 C ATOM 274 O ILE A 20 3.462 -10.169 -2.348 1.00 1.36 O ATOM 275 CB ILE A 20 4.868 -12.931 -3.790 1.00 1.29 C ATOM 276 CG1 ILE A 20 6.087 -13.825 -3.526 1.00 1.42 C ATOM 277 CG2 ILE A 20 5.284 -11.764 -4.692 1.00 1.25 C ATOM 278 CD1 ILE A 20 7.189 -13.017 -2.833 1.00 1.55 C ATOM 0 H ILE A 20 3.699 -14.449 -2.339 1.00 1.46 H new ATOM 0 HA ILE A 20 5.116 -11.961 -1.859 1.00 1.37 H new ATOM 0 HB ILE A 20 4.087 -13.505 -4.289 1.00 1.29 H new ATOM 0 HG12 ILE A 20 5.799 -14.672 -2.903 1.00 1.42 H new ATOM 0 HG13 ILE A 20 6.460 -14.233 -4.466 1.00 1.42 H new ATOM 0 HG21 ILE A 20 5.671 -12.152 -5.634 1.00 1.25 H new ATOM 0 HG22 ILE A 20 4.419 -11.130 -4.889 1.00 1.25 H new ATOM 0 HG23 ILE A 20 6.058 -11.178 -4.196 1.00 1.25 H new ATOM 0 HD11 ILE A 20 8.050 -13.659 -2.649 1.00 1.55 H new ATOM 0 HD12 ILE A 20 7.486 -12.185 -3.471 1.00 1.55 H new ATOM 0 HD13 ILE A 20 6.815 -12.631 -1.884 1.00 1.55 H new ATOM 290 N LEU A 21 2.120 -11.702 -3.188 1.00 1.29 N ATOM 291 CA LEU A 21 1.020 -10.712 -3.397 1.00 1.34 C ATOM 292 C LEU A 21 0.639 -10.104 -2.045 1.00 1.50 C ATOM 293 O LEU A 21 0.576 -8.896 -1.894 1.00 1.55 O ATOM 294 CB LEU A 21 -0.147 -11.516 -3.986 1.00 1.38 C ATOM 295 CG LEU A 21 -0.015 -11.574 -5.510 1.00 1.35 C ATOM 296 CD1 LEU A 21 -0.873 -12.717 -6.052 1.00 1.42 C ATOM 297 CD2 LEU A 21 -0.495 -10.254 -6.112 1.00 1.52 C ATOM 0 H LEU A 21 1.902 -12.656 -3.475 1.00 1.29 H new ATOM 0 HA LEU A 21 1.303 -9.894 -4.060 1.00 1.34 H new ATOM 0 HB2 LEU A 21 -0.152 -12.525 -3.573 1.00 1.38 H new ATOM 0 HB3 LEU A 21 -1.095 -11.054 -3.711 1.00 1.38 H new ATOM 0 HG LEU A 21 1.028 -11.741 -5.778 1.00 1.35 H new ATOM 0 HD11 LEU A 21 -0.780 -12.759 -7.137 1.00 1.42 H new ATOM 0 HD12 LEU A 21 -0.536 -13.660 -5.622 1.00 1.42 H new ATOM 0 HD13 LEU A 21 -1.916 -12.548 -5.784 1.00 1.42 H new ATOM 0 HD21 LEU A 21 -0.402 -10.294 -7.197 1.00 1.52 H new ATOM 0 HD22 LEU A 21 -1.539 -10.090 -5.843 1.00 1.52 H new ATOM 0 HD23 LEU A 21 0.112 -9.436 -5.725 1.00 1.52 H new ATOM 309 N ILE A 22 0.415 -10.935 -1.051 1.00 1.62 N ATOM 310 CA ILE A 22 0.073 -10.404 0.306 1.00 1.82 C ATOM 311 C ILE A 22 1.187 -9.465 0.778 1.00 1.81 C ATOM 312 O ILE A 22 0.933 -8.391 1.291 1.00 1.90 O ATOM 313 CB ILE A 22 -0.037 -11.637 1.218 1.00 1.95 C ATOM 314 CG1 ILE A 22 -1.377 -12.345 0.971 1.00 2.05 C ATOM 315 CG2 ILE A 22 0.049 -11.217 2.691 1.00 2.17 C ATOM 316 CD1 ILE A 22 -2.539 -11.449 1.413 1.00 2.25 C ATOM 0 H ILE A 22 0.454 -11.952 -1.122 1.00 1.62 H new ATOM 0 HA ILE A 22 -0.856 -9.833 0.312 1.00 1.82 H new ATOM 0 HB ILE A 22 0.785 -12.315 0.990 1.00 1.95 H new ATOM 0 HG12 ILE A 22 -1.478 -12.589 -0.087 1.00 2.05 H new ATOM 0 HG13 ILE A 22 -1.405 -13.287 1.519 1.00 2.05 H new ATOM 0 HG21 ILE A 22 -0.030 -12.099 3.326 1.00 2.17 H new ATOM 0 HG22 ILE A 22 1.003 -10.723 2.873 1.00 2.17 H new ATOM 0 HG23 ILE A 22 -0.765 -10.530 2.922 1.00 2.17 H new ATOM 0 HD11 ILE A 22 -3.483 -11.962 1.233 1.00 2.25 H new ATOM 0 HD12 ILE A 22 -2.444 -11.227 2.476 1.00 2.25 H new ATOM 0 HD13 ILE A 22 -2.518 -10.519 0.845 1.00 2.25 H new ATOM 328 N ALA A 23 2.419 -9.856 0.583 1.00 1.72 N ATOM 329 CA ALA A 23 3.562 -8.984 0.993 1.00 1.74 C ATOM 330 C ALA A 23 3.520 -7.674 0.199 1.00 1.61 C ATOM 331 O ALA A 23 3.649 -6.602 0.759 1.00 1.66 O ATOM 332 CB ALA A 23 4.826 -9.786 0.667 1.00 1.70 C ATOM 0 H ALA A 23 2.685 -10.744 0.157 1.00 1.72 H new ATOM 0 HA ALA A 23 3.527 -8.719 2.050 1.00 1.74 H new ATOM 0 HB1 ALA A 23 5.706 -9.205 0.943 1.00 1.70 H new ATOM 0 HB2 ALA A 23 4.818 -10.721 1.227 1.00 1.70 H new ATOM 0 HB3 ALA A 23 4.854 -10.003 -0.401 1.00 1.70 H new ATOM 338 N ILE A 24 3.313 -7.749 -1.095 1.00 1.46 N ATOM 339 CA ILE A 24 3.233 -6.500 -1.915 1.00 1.37 C ATOM 340 C ILE A 24 2.086 -5.631 -1.384 1.00 1.50 C ATOM 341 O ILE A 24 2.255 -4.453 -1.128 1.00 1.53 O ATOM 342 CB ILE A 24 2.945 -6.969 -3.350 1.00 1.28 C ATOM 343 CG1 ILE A 24 4.210 -7.590 -3.949 1.00 1.23 C ATOM 344 CG2 ILE A 24 2.515 -5.778 -4.214 1.00 1.32 C ATOM 345 CD1 ILE A 24 3.846 -8.374 -5.212 1.00 1.19 C ATOM 0 H ILE A 24 3.197 -8.618 -1.616 1.00 1.46 H new ATOM 0 HA ILE A 24 4.146 -5.906 -1.874 1.00 1.37 H new ATOM 0 HB ILE A 24 2.144 -7.708 -3.327 1.00 1.28 H new ATOM 0 HG12 ILE A 24 4.933 -6.810 -4.188 1.00 1.23 H new ATOM 0 HG13 ILE A 24 4.683 -8.250 -3.222 1.00 1.23 H new ATOM 0 HG21 ILE A 24 2.313 -6.119 -5.229 1.00 1.32 H new ATOM 0 HG22 ILE A 24 1.613 -5.331 -3.795 1.00 1.32 H new ATOM 0 HG23 ILE A 24 3.313 -5.035 -4.233 1.00 1.32 H new ATOM 0 HD11 ILE A 24 4.747 -8.816 -5.638 1.00 1.19 H new ATOM 0 HD12 ILE A 24 3.139 -9.164 -4.959 1.00 1.19 H new ATOM 0 HD13 ILE A 24 3.393 -7.701 -5.940 1.00 1.19 H new ATOM 357 N ALA A 25 0.926 -6.216 -1.200 1.00 1.62 N ATOM 358 CA ALA A 25 -0.236 -5.439 -0.667 1.00 1.79 C ATOM 359 C ALA A 25 0.094 -4.890 0.723 1.00 1.91 C ATOM 360 O ALA A 25 -0.166 -3.739 1.026 1.00 1.98 O ATOM 361 CB ALA A 25 -1.390 -6.443 -0.603 1.00 1.94 C ATOM 0 H ALA A 25 0.735 -7.198 -1.396 1.00 1.62 H new ATOM 0 HA ALA A 25 -0.487 -4.581 -1.291 1.00 1.79 H new ATOM 0 HB1 ALA A 25 -2.282 -5.948 -0.220 1.00 1.94 H new ATOM 0 HB2 ALA A 25 -1.590 -6.831 -1.602 1.00 1.94 H new ATOM 0 HB3 ALA A 25 -1.120 -7.266 0.059 1.00 1.94 H new ATOM 367 N ALA A 26 0.690 -5.696 1.561 1.00 1.96 N ATOM 368 CA ALA A 26 1.065 -5.216 2.926 1.00 2.10 C ATOM 369 C ALA A 26 2.073 -4.071 2.794 1.00 2.00 C ATOM 370 O ALA A 26 1.956 -3.051 3.449 1.00 2.11 O ATOM 371 CB ALA A 26 1.689 -6.428 3.624 1.00 2.19 C ATOM 0 H ALA A 26 0.934 -6.666 1.361 1.00 1.96 H new ATOM 0 HA ALA A 26 0.215 -4.836 3.493 1.00 2.10 H new ATOM 0 HB1 ALA A 26 1.990 -6.151 4.634 1.00 2.19 H new ATOM 0 HB2 ALA A 26 0.959 -7.236 3.671 1.00 2.19 H new ATOM 0 HB3 ALA A 26 2.563 -6.761 3.064 1.00 2.19 H new ATOM 377 N LEU A 27 3.040 -4.220 1.921 1.00 1.81 N ATOM 378 CA LEU A 27 4.034 -3.132 1.707 1.00 1.71 C ATOM 379 C LEU A 27 3.297 -1.891 1.182 1.00 1.67 C ATOM 380 O LEU A 27 3.486 -0.794 1.676 1.00 1.73 O ATOM 381 CB LEU A 27 5.008 -3.685 0.658 1.00 1.55 C ATOM 382 CG LEU A 27 5.893 -2.556 0.127 1.00 1.47 C ATOM 383 CD1 LEU A 27 7.358 -2.992 0.159 1.00 1.52 C ATOM 384 CD2 LEU A 27 5.490 -2.227 -1.311 1.00 1.43 C ATOM 0 H LEU A 27 3.181 -5.052 1.348 1.00 1.81 H new ATOM 0 HA LEU A 27 4.562 -2.841 2.615 1.00 1.71 H new ATOM 0 HB2 LEU A 27 5.626 -4.467 1.099 1.00 1.55 H new ATOM 0 HB3 LEU A 27 4.453 -4.141 -0.162 1.00 1.55 H new ATOM 0 HG LEU A 27 5.766 -1.673 0.753 1.00 1.47 H new ATOM 0 HD11 LEU A 27 7.986 -2.186 -0.220 1.00 1.52 H new ATOM 0 HD12 LEU A 27 7.646 -3.225 1.184 1.00 1.52 H new ATOM 0 HD13 LEU A 27 7.488 -3.877 -0.464 1.00 1.52 H new ATOM 0 HD21 LEU A 27 6.120 -1.423 -1.690 1.00 1.43 H new ATOM 0 HD22 LEU A 27 5.616 -3.112 -1.935 1.00 1.43 H new ATOM 0 HD23 LEU A 27 4.447 -1.912 -1.333 1.00 1.43 H new ATOM 396 N GLY A 28 2.435 -2.071 0.204 1.00 1.62 N ATOM 397 CA GLY A 28 1.654 -0.917 -0.339 1.00 1.65 C ATOM 398 C GLY A 28 0.881 -0.266 0.809 1.00 1.85 C ATOM 399 O GLY A 28 0.923 0.936 0.991 1.00 1.90 O ATOM 0 H GLY A 28 2.241 -2.969 -0.239 1.00 1.62 H new ATOM 0 HA2 GLY A 28 2.323 -0.192 -0.803 1.00 1.65 H new ATOM 0 HA3 GLY A 28 0.966 -1.257 -1.113 1.00 1.65 H new ATOM 403 N ALA A 29 0.198 -1.056 1.606 1.00 2.01 N ATOM 404 CA ALA A 29 -0.557 -0.483 2.764 1.00 2.24 C ATOM 405 C ALA A 29 0.411 0.213 3.727 1.00 2.26 C ATOM 406 O ALA A 29 0.162 1.310 4.194 1.00 2.36 O ATOM 407 CB ALA A 29 -1.239 -1.680 3.435 1.00 2.42 C ATOM 0 H ALA A 29 0.132 -2.069 1.504 1.00 2.01 H new ATOM 0 HA ALA A 29 -1.286 0.266 2.455 1.00 2.24 H new ATOM 0 HB1 ALA A 29 -1.813 -1.336 4.295 1.00 2.42 H new ATOM 0 HB2 ALA A 29 -1.907 -2.164 2.723 1.00 2.42 H new ATOM 0 HB3 ALA A 29 -0.482 -2.392 3.765 1.00 2.42 H new ATOM 413 N LEU A 30 1.523 -0.415 4.007 1.00 2.20 N ATOM 414 CA LEU A 30 2.536 0.202 4.920 1.00 2.25 C ATOM 415 C LEU A 30 3.030 1.533 4.333 1.00 2.09 C ATOM 416 O LEU A 30 3.219 2.503 5.045 1.00 2.17 O ATOM 417 CB LEU A 30 3.679 -0.817 5.002 1.00 2.22 C ATOM 418 CG LEU A 30 3.430 -1.775 6.168 1.00 2.48 C ATOM 419 CD1 LEU A 30 4.237 -3.057 5.955 1.00 2.49 C ATOM 420 CD2 LEU A 30 3.867 -1.110 7.474 1.00 2.74 C ATOM 0 H LEU A 30 1.776 -1.333 3.642 1.00 2.20 H new ATOM 0 HA LEU A 30 2.126 0.423 5.906 1.00 2.25 H new ATOM 0 HB2 LEU A 30 3.750 -1.375 4.068 1.00 2.22 H new ATOM 0 HB3 LEU A 30 4.630 -0.302 5.138 1.00 2.22 H new ATOM 0 HG LEU A 30 2.369 -2.018 6.220 1.00 2.48 H new ATOM 0 HD11 LEU A 30 4.060 -3.740 6.786 1.00 2.49 H new ATOM 0 HD12 LEU A 30 3.928 -3.531 5.023 1.00 2.49 H new ATOM 0 HD13 LEU A 30 5.298 -2.815 5.904 1.00 2.49 H new ATOM 0 HD21 LEU A 30 3.690 -1.791 8.306 1.00 2.74 H new ATOM 0 HD22 LEU A 30 4.929 -0.869 7.422 1.00 2.74 H new ATOM 0 HD23 LEU A 30 3.294 -0.195 7.626 1.00 2.74 H new ATOM 432 N ILE A 31 3.219 1.593 3.036 1.00 1.89 N ATOM 433 CA ILE A 31 3.679 2.868 2.401 1.00 1.76 C ATOM 434 C ILE A 31 2.522 3.875 2.398 1.00 1.88 C ATOM 435 O ILE A 31 2.685 5.014 2.795 1.00 1.94 O ATOM 436 CB ILE A 31 4.112 2.473 0.978 1.00 1.55 C ATOM 437 CG1 ILE A 31 5.560 1.978 1.028 1.00 1.49 C ATOM 438 CG2 ILE A 31 4.025 3.671 0.022 1.00 1.61 C ATOM 439 CD1 ILE A 31 5.757 0.860 0.005 1.00 1.61 C ATOM 0 H ILE A 31 3.075 0.816 2.391 1.00 1.89 H new ATOM 0 HA ILE A 31 4.503 3.345 2.931 1.00 1.76 H new ATOM 0 HB ILE A 31 3.446 1.691 0.612 1.00 1.55 H new ATOM 0 HG12 ILE A 31 6.243 2.801 0.818 1.00 1.49 H new ATOM 0 HG13 ILE A 31 5.796 1.615 2.028 1.00 1.49 H new ATOM 0 HG21 ILE A 31 4.337 3.363 -0.976 1.00 1.61 H new ATOM 0 HG22 ILE A 31 2.998 4.034 -0.014 1.00 1.61 H new ATOM 0 HG23 ILE A 31 4.679 4.468 0.377 1.00 1.61 H new ATOM 0 HD11 ILE A 31 6.788 0.510 0.043 1.00 1.61 H new ATOM 0 HD12 ILE A 31 5.084 0.034 0.235 1.00 1.61 H new ATOM 0 HD13 ILE A 31 5.539 1.238 -0.994 1.00 1.61 H new ATOM 451 N LEU A 32 1.350 3.458 1.983 1.00 1.95 N ATOM 452 CA LEU A 32 0.177 4.388 1.983 1.00 2.14 C ATOM 453 C LEU A 32 -0.058 4.922 3.403 1.00 2.34 C ATOM 454 O LEU A 32 -0.234 6.110 3.608 1.00 2.44 O ATOM 455 CB LEU A 32 -1.013 3.541 1.519 1.00 2.23 C ATOM 456 CG LEU A 32 -2.164 4.460 1.098 1.00 2.42 C ATOM 457 CD1 LEU A 32 -2.252 4.504 -0.429 1.00 2.55 C ATOM 458 CD2 LEU A 32 -3.481 3.929 1.669 1.00 2.62 C ATOM 0 H LEU A 32 1.155 2.516 1.645 1.00 1.95 H new ATOM 0 HA LEU A 32 0.329 5.250 1.334 1.00 2.14 H new ATOM 0 HB2 LEU A 32 -0.717 2.906 0.684 1.00 2.23 H new ATOM 0 HB3 LEU A 32 -1.337 2.880 2.323 1.00 2.23 H new ATOM 0 HG LEU A 32 -1.982 5.464 1.481 1.00 2.42 H new ATOM 0 HD11 LEU A 32 -3.071 5.158 -0.728 1.00 2.55 H new ATOM 0 HD12 LEU A 32 -1.316 4.886 -0.837 1.00 2.55 H new ATOM 0 HD13 LEU A 32 -2.432 3.500 -0.812 1.00 2.55 H new ATOM 0 HD21 LEU A 32 -4.298 4.584 1.368 1.00 2.62 H new ATOM 0 HD22 LEU A 32 -3.663 2.924 1.289 1.00 2.62 H new ATOM 0 HD23 LEU A 32 -3.421 3.900 2.757 1.00 2.62 H new ATOM 470 N GLY A 33 -0.042 4.046 4.384 1.00 2.45 N ATOM 471 CA GLY A 33 -0.246 4.480 5.802 1.00 2.68 C ATOM 472 C GLY A 33 0.880 5.433 6.211 1.00 2.60 C ATOM 473 O GLY A 33 0.632 6.548 6.631 1.00 2.73 O ATOM 0 H GLY A 33 0.105 3.044 4.260 1.00 2.45 H new ATOM 0 HA2 GLY A 33 -1.212 4.975 5.907 1.00 2.68 H new ATOM 0 HA3 GLY A 33 -0.259 3.612 6.461 1.00 2.68 H new ATOM 988 N GLN A 66 -16.818 12.503 -9.974 1.00 2.36 N ATOM 989 CA GLN A 66 -17.310 13.306 -8.809 1.00 2.03 C ATOM 990 C GLN A 66 -16.924 14.772 -9.017 1.00 1.60 C ATOM 991 O GLN A 66 -17.706 15.673 -8.794 1.00 1.59 O ATOM 992 CB GLN A 66 -16.588 12.710 -7.594 1.00 1.95 C ATOM 993 CG GLN A 66 -17.609 12.212 -6.571 1.00 2.23 C ATOM 994 CD GLN A 66 -16.987 12.254 -5.176 1.00 2.31 C ATOM 995 OE1 GLN A 66 -17.273 13.144 -4.402 1.00 2.27 O ATOM 996 NE2 GLN A 66 -16.132 11.340 -4.820 1.00 2.63 N ATOM 0 HA GLN A 66 -18.392 13.272 -8.684 1.00 2.03 H new ATOM 0 HB2 GLN A 66 -15.946 11.887 -7.910 1.00 1.95 H new ATOM 0 HB3 GLN A 66 -15.943 13.462 -7.140 1.00 1.95 H new ATOM 0 HG2 GLN A 66 -18.504 12.833 -6.601 1.00 2.23 H new ATOM 0 HG3 GLN A 66 -17.918 11.195 -6.814 1.00 2.23 H new ATOM 0 HE21 GLN A 66 -15.888 10.590 -5.467 1.00 2.63 H new ATOM 0 HE22 GLN A 66 -15.705 11.374 -3.894 1.00 2.63 H new ATOM 1005 N TYR A 67 -15.724 14.989 -9.485 1.00 1.48 N ATOM 1006 CA TYR A 67 -15.235 16.372 -9.774 1.00 1.61 C ATOM 1007 C TYR A 67 -15.829 16.850 -11.100 1.00 2.12 C ATOM 1008 O TYR A 67 -16.334 17.952 -11.207 1.00 2.25 O ATOM 1009 CB TYR A 67 -13.722 16.227 -9.895 1.00 1.88 C ATOM 1010 CG TYR A 67 -13.040 17.426 -9.285 1.00 2.46 C ATOM 1011 CD1 TYR A 67 -12.868 18.587 -10.041 1.00 3.36 C ATOM 1012 CD2 TYR A 67 -12.576 17.372 -7.970 1.00 2.79 C ATOM 1013 CE1 TYR A 67 -12.223 19.697 -9.482 1.00 4.25 C ATOM 1014 CE2 TYR A 67 -11.933 18.484 -7.410 1.00 3.83 C ATOM 1015 CZ TYR A 67 -11.754 19.644 -8.167 1.00 4.44 C ATOM 1016 OH TYR A 67 -11.113 20.734 -7.616 1.00 5.54 O ATOM 0 H TYR A 67 -15.047 14.252 -9.684 1.00 1.48 H new ATOM 0 HA TYR A 67 -15.517 17.093 -9.007 1.00 1.61 H new ATOM 0 HB2 TYR A 67 -13.394 15.317 -9.393 1.00 1.88 H new ATOM 0 HB3 TYR A 67 -13.440 16.132 -10.944 1.00 1.88 H new ATOM 0 HD1 TYR A 67 -13.232 18.629 -11.057 1.00 3.36 H new ATOM 0 HD2 TYR A 67 -12.712 16.475 -7.385 1.00 2.79 H new ATOM 0 HE1 TYR A 67 -12.088 20.594 -10.068 1.00 4.25 H new ATOM 0 HE2 TYR A 67 -11.575 18.444 -6.392 1.00 3.83 H new ATOM 0 HH TYR A 67 -10.853 20.529 -6.694 1.00 5.54 H new ATOM 1026 N SER A 68 -15.778 16.006 -12.104 1.00 2.53 N ATOM 1027 CA SER A 68 -16.348 16.356 -13.449 1.00 3.20 C ATOM 1028 C SER A 68 -17.813 16.773 -13.306 1.00 3.19 C ATOM 1029 O SER A 68 -18.291 17.612 -14.033 1.00 3.57 O ATOM 1030 CB SER A 68 -16.257 15.081 -14.285 1.00 3.60 C ATOM 1031 OG SER A 68 -14.892 14.746 -14.497 1.00 3.71 O ATOM 0 H SER A 68 -15.360 15.077 -12.049 1.00 2.53 H new ATOM 0 HA SER A 68 -15.808 17.184 -13.909 1.00 3.20 H new ATOM 0 HB2 SER A 68 -16.768 14.263 -13.776 1.00 3.60 H new ATOM 0 HB3 SER A 68 -16.759 15.225 -15.242 1.00 3.60 H new ATOM 0 HG SER A 68 -14.835 13.927 -15.032 1.00 3.71 H new ATOM 1037 N ALA A 69 -18.529 16.189 -12.378 1.00 2.89 N ATOM 1038 CA ALA A 69 -19.960 16.566 -12.190 1.00 3.00 C ATOM 1039 C ALA A 69 -20.064 17.755 -11.223 1.00 2.49 C ATOM 1040 O ALA A 69 -20.707 18.746 -11.504 1.00 2.53 O ATOM 1041 CB ALA A 69 -20.614 15.320 -11.597 1.00 3.16 C ATOM 0 H ALA A 69 -18.183 15.469 -11.744 1.00 2.89 H new ATOM 0 HA ALA A 69 -20.442 16.873 -13.118 1.00 3.00 H new ATOM 0 HB1 ALA A 69 -21.673 15.511 -11.426 1.00 3.16 H new ATOM 0 HB2 ALA A 69 -20.503 14.486 -12.290 1.00 3.16 H new ATOM 0 HB3 ALA A 69 -20.133 15.072 -10.651 1.00 3.16 H new ATOM 1047 N LYS A 70 -19.427 17.647 -10.086 1.00 2.07 N ATOM 1048 CA LYS A 70 -19.471 18.750 -9.064 1.00 1.64 C ATOM 1049 C LYS A 70 -18.922 20.060 -9.623 1.00 1.66 C ATOM 1050 O LYS A 70 -19.548 21.093 -9.523 1.00 1.52 O ATOM 1051 CB LYS A 70 -18.584 18.276 -7.913 1.00 1.49 C ATOM 1052 CG LYS A 70 -19.358 17.275 -7.064 1.00 1.65 C ATOM 1053 CD LYS A 70 -18.702 17.129 -5.686 1.00 1.73 C ATOM 1054 CE LYS A 70 -17.819 15.879 -5.672 1.00 1.99 C ATOM 1055 NZ LYS A 70 -17.739 15.476 -4.234 1.00 2.07 N ATOM 0 H LYS A 70 -18.871 16.836 -9.814 1.00 2.07 H new ATOM 0 HA LYS A 70 -20.497 18.946 -8.754 1.00 1.64 H new ATOM 0 HB2 LYS A 70 -17.677 17.815 -8.303 1.00 1.49 H new ATOM 0 HB3 LYS A 70 -18.274 19.125 -7.304 1.00 1.49 H new ATOM 0 HG2 LYS A 70 -20.390 17.606 -6.950 1.00 1.65 H new ATOM 0 HG3 LYS A 70 -19.387 16.308 -7.565 1.00 1.65 H new ATOM 0 HD2 LYS A 70 -18.104 18.012 -5.460 1.00 1.73 H new ATOM 0 HD3 LYS A 70 -19.467 17.056 -4.913 1.00 1.73 H new ATOM 0 HE2 LYS A 70 -18.250 15.084 -6.281 1.00 1.99 H new ATOM 0 HE3 LYS A 70 -16.830 16.090 -6.078 1.00 1.99 H new ATOM 0 HZ1 LYS A 70 -17.555 14.454 -4.169 1.00 2.07 H new ATOM 0 HZ2 LYS A 70 -16.968 15.997 -3.770 1.00 2.07 H new ATOM 0 HZ3 LYS A 70 -18.639 15.696 -3.761 1.00 2.07 H new ATOM 1069 N GLY A 71 -17.748 20.009 -10.189 1.00 1.99 N ATOM 1070 CA GLY A 71 -17.102 21.242 -10.761 1.00 2.34 C ATOM 1071 C GLY A 71 -18.141 22.097 -11.493 1.00 2.51 C ATOM 1072 O GLY A 71 -18.417 23.211 -11.080 1.00 2.44 O ATOM 0 H GLY A 71 -17.195 19.157 -10.284 1.00 1.99 H new ATOM 0 HA2 GLY A 71 -16.641 21.823 -9.962 1.00 2.34 H new ATOM 0 HA3 GLY A 71 -16.306 20.958 -11.449 1.00 2.34 H new ATOM 1076 N PRO A 72 -18.703 21.544 -12.546 1.00 2.82 N ATOM 1077 CA PRO A 72 -19.741 22.271 -13.321 1.00 3.07 C ATOM 1078 C PRO A 72 -21.012 22.440 -12.479 1.00 2.64 C ATOM 1079 O PRO A 72 -21.592 23.504 -12.457 1.00 2.63 O ATOM 1080 CB PRO A 72 -19.982 21.380 -14.538 1.00 3.55 C ATOM 1081 CG PRO A 72 -19.566 20.018 -14.096 1.00 3.40 C ATOM 1082 CD PRO A 72 -18.437 20.215 -13.115 1.00 3.05 C ATOM 0 HA PRO A 72 -19.440 23.279 -13.608 1.00 3.07 H new ATOM 0 HB2 PRO A 72 -21.029 21.396 -14.840 1.00 3.55 H new ATOM 0 HB3 PRO A 72 -19.398 21.714 -15.396 1.00 3.55 H new ATOM 0 HG2 PRO A 72 -20.398 19.490 -13.630 1.00 3.40 H new ATOM 0 HG3 PRO A 72 -19.242 19.416 -14.945 1.00 3.40 H new ATOM 0 HD2 PRO A 72 -18.434 19.443 -12.346 1.00 3.05 H new ATOM 0 HD3 PRO A 72 -17.466 20.177 -13.608 1.00 3.05 H new ATOM 1090 N CYS A 73 -21.445 21.420 -11.767 1.00 2.35 N ATOM 1091 CA CYS A 73 -22.675 21.581 -10.921 1.00 2.05 C ATOM 1092 C CYS A 73 -22.484 22.756 -9.957 1.00 1.62 C ATOM 1093 O CYS A 73 -23.352 23.597 -9.802 1.00 1.57 O ATOM 1094 CB CYS A 73 -22.842 20.266 -10.149 1.00 1.98 C ATOM 1095 SG CYS A 73 -24.604 19.933 -9.906 1.00 2.50 S ATOM 0 H CYS A 73 -21.008 20.499 -11.735 1.00 2.35 H new ATOM 0 HA CYS A 73 -23.559 21.790 -11.524 1.00 2.05 H new ATOM 0 HB2 CYS A 73 -22.378 19.447 -10.699 1.00 1.98 H new ATOM 0 HB3 CYS A 73 -22.336 20.330 -9.186 1.00 1.98 H new ATOM 0 HG CYS A 73 -24.749 18.818 -9.254 1.00 2.50 H new ATOM 1101 N VAL A 74 -21.333 22.833 -9.339 1.00 1.43 N ATOM 1102 CA VAL A 74 -21.047 23.965 -8.407 1.00 1.33 C ATOM 1103 C VAL A 74 -20.936 25.256 -9.216 1.00 1.78 C ATOM 1104 O VAL A 74 -21.580 26.247 -8.919 1.00 1.82 O ATOM 1105 CB VAL A 74 -19.711 23.612 -7.734 1.00 1.40 C ATOM 1106 CG1 VAL A 74 -19.169 24.827 -6.971 1.00 1.79 C ATOM 1107 CG2 VAL A 74 -19.918 22.453 -6.755 1.00 1.17 C ATOM 0 H VAL A 74 -20.576 22.157 -9.441 1.00 1.43 H new ATOM 0 HA VAL A 74 -21.829 24.113 -7.662 1.00 1.33 H new ATOM 0 HB VAL A 74 -18.995 23.321 -8.503 1.00 1.40 H new ATOM 0 HG11 VAL A 74 -18.222 24.567 -6.498 1.00 1.79 H new ATOM 0 HG12 VAL A 74 -19.013 25.653 -7.665 1.00 1.79 H new ATOM 0 HG13 VAL A 74 -19.886 25.126 -6.207 1.00 1.79 H new ATOM 0 HG21 VAL A 74 -18.969 22.205 -6.279 1.00 1.17 H new ATOM 0 HG22 VAL A 74 -20.641 22.745 -5.993 1.00 1.17 H new ATOM 0 HG23 VAL A 74 -20.292 21.583 -7.295 1.00 1.17 H new ATOM 1117 N GLU A 75 -20.139 25.233 -10.252 1.00 2.21 N ATOM 1118 CA GLU A 75 -19.978 26.437 -11.129 1.00 2.75 C ATOM 1119 C GLU A 75 -21.355 26.944 -11.579 1.00 2.73 C ATOM 1120 O GLU A 75 -21.615 28.132 -11.617 1.00 2.94 O ATOM 1121 CB GLU A 75 -19.158 25.932 -12.330 1.00 3.21 C ATOM 1122 CG GLU A 75 -19.310 26.881 -13.532 1.00 3.75 C ATOM 1123 CD GLU A 75 -19.927 26.132 -14.717 1.00 3.96 C ATOM 1124 OE1 GLU A 75 -19.349 25.141 -15.144 1.00 4.17 O ATOM 1125 OE2 GLU A 75 -20.973 26.563 -15.187 1.00 4.00 O ATOM 0 H GLU A 75 -19.586 24.424 -10.533 1.00 2.21 H new ATOM 0 HA GLU A 75 -19.488 27.269 -10.623 1.00 2.75 H new ATOM 0 HB2 GLU A 75 -18.107 25.855 -12.052 1.00 3.21 H new ATOM 0 HB3 GLU A 75 -19.489 24.931 -12.607 1.00 3.21 H new ATOM 0 HG2 GLU A 75 -19.939 27.728 -13.259 1.00 3.75 H new ATOM 0 HG3 GLU A 75 -18.337 27.284 -13.813 1.00 3.75 H new ATOM 1132 N ARG A 76 -22.228 26.041 -11.917 1.00 2.57 N ATOM 1133 CA ARG A 76 -23.595 26.425 -12.377 1.00 2.64 C ATOM 1134 C ARG A 76 -24.423 27.033 -11.239 1.00 2.21 C ATOM 1135 O ARG A 76 -24.924 28.133 -11.357 1.00 2.35 O ATOM 1136 CB ARG A 76 -24.230 25.119 -12.859 1.00 2.73 C ATOM 1137 CG ARG A 76 -24.183 25.061 -14.388 1.00 3.34 C ATOM 1138 CD ARG A 76 -23.394 23.825 -14.816 1.00 3.45 C ATOM 1139 NE ARG A 76 -22.294 24.349 -15.687 1.00 4.06 N ATOM 1140 CZ ARG A 76 -21.786 23.616 -16.631 1.00 4.39 C ATOM 1141 NH1 ARG A 76 -22.560 22.930 -17.412 1.00 4.68 N ATOM 1142 NH2 ARG A 76 -20.500 23.591 -16.799 1.00 4.51 N ATOM 0 H ARG A 76 -22.053 25.036 -11.895 1.00 2.57 H new ATOM 0 HA ARG A 76 -23.553 27.184 -13.158 1.00 2.64 H new ATOM 0 HB2 ARG A 76 -23.699 24.266 -12.436 1.00 2.73 H new ATOM 0 HB3 ARG A 76 -25.262 25.055 -12.514 1.00 2.73 H new ATOM 0 HG2 ARG A 76 -25.194 25.022 -14.794 1.00 3.34 H new ATOM 0 HG3 ARG A 76 -23.715 25.962 -14.785 1.00 3.34 H new ATOM 0 HD2 ARG A 76 -22.994 23.294 -13.952 1.00 3.45 H new ATOM 0 HD3 ARG A 76 -24.026 23.122 -15.359 1.00 3.45 H new ATOM 0 HE ARG A 76 -21.939 25.294 -15.537 1.00 4.06 H new ATOM 0 HH11 ARG A 76 -23.572 22.965 -17.286 1.00 4.68 H new ATOM 0 HH12 ARG A 76 -22.158 22.355 -18.152 1.00 4.68 H new ATOM 0 HH21 ARG A 76 -19.896 24.145 -16.192 1.00 4.51 H new ATOM 0 HH22 ARG A 76 -20.093 23.018 -17.538 1.00 4.51 H new ATOM 1156 N LYS A 77 -24.585 26.330 -10.144 1.00 1.75 N ATOM 1157 CA LYS A 77 -25.409 26.903 -9.022 1.00 1.46 C ATOM 1158 C LYS A 77 -24.741 28.162 -8.455 1.00 1.65 C ATOM 1159 O LYS A 77 -25.408 29.101 -8.057 1.00 1.77 O ATOM 1160 CB LYS A 77 -25.557 25.803 -7.952 1.00 1.20 C ATOM 1161 CG LYS A 77 -24.188 25.332 -7.445 1.00 1.15 C ATOM 1162 CD LYS A 77 -24.207 25.254 -5.913 1.00 1.37 C ATOM 1163 CE LYS A 77 -22.854 25.714 -5.362 1.00 1.72 C ATOM 1164 NZ LYS A 77 -23.098 26.028 -3.923 1.00 2.15 N ATOM 0 H LYS A 77 -24.194 25.403 -9.975 1.00 1.75 H new ATOM 0 HA LYS A 77 -26.394 27.207 -9.376 1.00 1.46 H new ATOM 0 HB2 LYS A 77 -26.146 26.182 -7.117 1.00 1.20 H new ATOM 0 HB3 LYS A 77 -26.103 24.957 -8.370 1.00 1.20 H new ATOM 0 HG2 LYS A 77 -23.949 24.355 -7.866 1.00 1.15 H new ATOM 0 HG3 LYS A 77 -23.410 26.020 -7.775 1.00 1.15 H new ATOM 0 HD2 LYS A 77 -25.006 25.881 -5.516 1.00 1.37 H new ATOM 0 HD3 LYS A 77 -24.414 24.233 -5.593 1.00 1.37 H new ATOM 0 HE2 LYS A 77 -22.100 24.935 -5.472 1.00 1.72 H new ATOM 0 HE3 LYS A 77 -22.488 26.589 -5.899 1.00 1.72 H new ATOM 0 HZ1 LYS A 77 -22.212 26.350 -3.483 1.00 2.15 H new ATOM 0 HZ2 LYS A 77 -23.814 26.778 -3.848 1.00 2.15 H new ATOM 0 HZ3 LYS A 77 -23.438 25.175 -3.434 1.00 2.15 H new ATOM 1178 N ALA A 78 -23.435 28.199 -8.445 1.00 1.86 N ATOM 1179 CA ALA A 78 -22.718 29.405 -7.934 1.00 2.31 C ATOM 1180 C ALA A 78 -22.962 30.595 -8.864 1.00 2.72 C ATOM 1181 O ALA A 78 -23.335 31.667 -8.435 1.00 2.95 O ATOM 1182 CB ALA A 78 -21.235 29.022 -7.935 1.00 2.54 C ATOM 0 H ALA A 78 -22.831 27.444 -8.770 1.00 1.86 H new ATOM 0 HA ALA A 78 -23.061 29.697 -6.941 1.00 2.31 H new ATOM 0 HB1 ALA A 78 -20.642 29.861 -7.571 1.00 2.54 H new ATOM 0 HB2 ALA A 78 -21.081 28.160 -7.286 1.00 2.54 H new ATOM 0 HB3 ALA A 78 -20.924 28.772 -8.949 1.00 2.54 H new ATOM 1188 N LYS A 79 -22.758 30.413 -10.137 1.00 2.91 N ATOM 1189 CA LYS A 79 -22.976 31.549 -11.096 1.00 3.41 C ATOM 1190 C LYS A 79 -24.478 31.821 -11.306 1.00 3.23 C ATOM 1191 O LYS A 79 -24.880 32.951 -11.504 1.00 3.55 O ATOM 1192 CB LYS A 79 -22.274 31.136 -12.401 1.00 3.76 C ATOM 1193 CG LYS A 79 -23.143 30.166 -13.211 1.00 3.63 C ATOM 1194 CD LYS A 79 -22.246 29.389 -14.181 1.00 4.09 C ATOM 1195 CE LYS A 79 -22.964 29.193 -15.517 1.00 4.41 C ATOM 1196 NZ LYS A 79 -21.953 28.537 -16.398 1.00 4.68 N ATOM 0 H LYS A 79 -22.452 29.537 -10.560 1.00 2.91 H new ATOM 0 HA LYS A 79 -22.565 32.483 -10.714 1.00 3.41 H new ATOM 0 HB2 LYS A 79 -22.059 32.022 -12.998 1.00 3.76 H new ATOM 0 HB3 LYS A 79 -21.317 30.667 -12.171 1.00 3.76 H new ATOM 0 HG2 LYS A 79 -23.662 29.478 -12.544 1.00 3.63 H new ATOM 0 HG3 LYS A 79 -23.908 30.714 -13.761 1.00 3.63 H new ATOM 0 HD2 LYS A 79 -21.312 29.929 -14.337 1.00 4.09 H new ATOM 0 HD3 LYS A 79 -21.987 28.421 -13.753 1.00 4.09 H new ATOM 0 HE2 LYS A 79 -23.852 28.571 -15.402 1.00 4.41 H new ATOM 0 HE3 LYS A 79 -23.293 30.145 -15.933 1.00 4.41 H new ATOM 0 HZ1 LYS A 79 -22.439 28.011 -17.152 1.00 4.68 H new ATOM 0 HZ2 LYS A 79 -21.339 29.262 -16.822 1.00 4.68 H new ATOM 0 HZ3 LYS A 79 -21.376 27.880 -15.835 1.00 4.68 H new ATOM 1210 N LEU A 80 -25.306 30.804 -11.256 1.00 2.78 N ATOM 1211 CA LEU A 80 -26.773 31.016 -11.446 1.00 2.68 C ATOM 1212 C LEU A 80 -27.381 31.709 -10.218 1.00 2.47 C ATOM 1213 O LEU A 80 -28.003 32.744 -10.322 1.00 2.63 O ATOM 1214 CB LEU A 80 -27.356 29.611 -11.625 1.00 2.47 C ATOM 1215 CG LEU A 80 -28.864 29.705 -11.852 1.00 2.63 C ATOM 1216 CD1 LEU A 80 -29.159 29.518 -13.341 1.00 3.18 C ATOM 1217 CD2 LEU A 80 -29.573 28.616 -11.042 1.00 2.55 C ATOM 0 H LEU A 80 -25.027 29.837 -11.092 1.00 2.78 H new ATOM 0 HA LEU A 80 -26.989 31.657 -12.300 1.00 2.68 H new ATOM 0 HB2 LEU A 80 -26.881 29.115 -12.471 1.00 2.47 H new ATOM 0 HB3 LEU A 80 -27.148 29.005 -10.743 1.00 2.47 H new ATOM 0 HG LEU A 80 -29.225 30.681 -11.529 1.00 2.63 H new ATOM 0 HD11 LEU A 80 -30.234 29.584 -13.510 1.00 3.18 H new ATOM 0 HD12 LEU A 80 -28.653 30.296 -13.913 1.00 3.18 H new ATOM 0 HD13 LEU A 80 -28.800 28.540 -13.663 1.00 3.18 H new ATOM 0 HD21 LEU A 80 -30.649 28.684 -11.205 1.00 2.55 H new ATOM 0 HD22 LEU A 80 -29.219 27.636 -11.362 1.00 2.55 H new ATOM 0 HD23 LEU A 80 -29.357 28.752 -9.982 1.00 2.55 H new