USER MOD reduce.3.24.130724 H: found=0, std=0, add=291, rem=0, adj=5 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 Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.0385 X(o=-0.039,f=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 70 LYS NZ :NH3+ 180:sc= 0 (180deg=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+ -178:sc= 1.09 (180deg=1.01) USER MOD ----------------------------------------------------------------- ATOM 174 N VAL A 14 0.959 -21.446 -5.996 1.00 1.15 N ATOM 175 CA VAL A 14 -0.196 -20.558 -5.643 1.00 1.21 C ATOM 176 C VAL A 14 0.061 -19.911 -4.274 1.00 1.13 C ATOM 177 O VAL A 14 -0.192 -18.739 -4.072 1.00 1.14 O ATOM 178 CB VAL A 14 -1.420 -21.487 -5.596 1.00 1.36 C ATOM 179 CG1 VAL A 14 -2.569 -20.805 -4.848 1.00 1.71 C ATOM 180 CG2 VAL A 14 -1.874 -21.802 -7.022 1.00 1.65 C ATOM 0 HA VAL A 14 -0.344 -19.749 -6.359 1.00 1.21 H new ATOM 0 HB VAL A 14 -1.146 -22.407 -5.079 1.00 1.36 H new ATOM 0 HG11 VAL A 14 -3.431 -21.471 -4.820 1.00 1.71 H new ATOM 0 HG12 VAL A 14 -2.255 -20.575 -3.830 1.00 1.71 H new ATOM 0 HG13 VAL A 14 -2.840 -19.882 -5.361 1.00 1.71 H new ATOM 0 HG21 VAL A 14 -2.742 -22.461 -6.990 1.00 1.65 H new ATOM 0 HG22 VAL A 14 -2.140 -20.876 -7.532 1.00 1.65 H new ATOM 0 HG23 VAL A 14 -1.065 -22.294 -7.561 1.00 1.65 H new ATOM 190 N VAL A 15 0.595 -20.661 -3.346 1.00 1.09 N ATOM 191 CA VAL A 15 0.904 -20.084 -2.001 1.00 1.08 C ATOM 192 C VAL A 15 2.058 -19.089 -2.138 1.00 0.98 C ATOM 193 O VAL A 15 2.034 -18.012 -1.577 1.00 0.98 O ATOM 194 CB VAL A 15 1.298 -21.283 -1.124 1.00 1.16 C ATOM 195 CG1 VAL A 15 1.996 -20.796 0.149 1.00 1.22 C ATOM 196 CG2 VAL A 15 0.041 -22.067 -0.737 1.00 1.32 C ATOM 0 H VAL A 15 0.831 -21.647 -3.459 1.00 1.09 H new ATOM 0 HA VAL A 15 0.063 -19.545 -1.564 1.00 1.08 H new ATOM 0 HB VAL A 15 1.978 -21.924 -1.685 1.00 1.16 H new ATOM 0 HG11 VAL A 15 2.271 -21.653 0.764 1.00 1.22 H new ATOM 0 HG12 VAL A 15 2.893 -20.238 -0.119 1.00 1.22 H new ATOM 0 HG13 VAL A 15 1.321 -20.149 0.710 1.00 1.22 H new ATOM 0 HG21 VAL A 15 0.320 -22.918 -0.115 1.00 1.32 H new ATOM 0 HG22 VAL A 15 -0.636 -21.418 -0.182 1.00 1.32 H new ATOM 0 HG23 VAL A 15 -0.457 -22.424 -1.638 1.00 1.32 H new ATOM 206 N THR A 16 3.055 -19.448 -2.902 1.00 0.96 N ATOM 207 CA THR A 16 4.222 -18.532 -3.113 1.00 0.94 C ATOM 208 C THR A 16 3.742 -17.195 -3.680 1.00 0.93 C ATOM 209 O THR A 16 4.036 -16.142 -3.144 1.00 0.93 O ATOM 210 CB THR A 16 5.136 -19.248 -4.118 1.00 0.99 C ATOM 211 OG1 THR A 16 5.630 -20.447 -3.539 1.00 1.06 O ATOM 212 CG2 THR A 16 6.317 -18.347 -4.481 1.00 1.11 C ATOM 0 H THR A 16 3.115 -20.340 -3.393 1.00 0.96 H new ATOM 0 HA THR A 16 4.746 -18.318 -2.181 1.00 0.94 H new ATOM 0 HB THR A 16 4.564 -19.478 -5.017 1.00 0.99 H new ATOM 0 HG1 THR A 16 6.212 -20.905 -4.181 1.00 1.06 H new ATOM 0 HG21 THR A 16 6.961 -18.861 -5.194 1.00 1.11 H new ATOM 0 HG22 THR A 16 5.947 -17.424 -4.927 1.00 1.11 H new ATOM 0 HG23 THR A 16 6.886 -18.113 -3.581 1.00 1.11 H new ATOM 220 N VAL A 17 2.994 -17.231 -4.749 1.00 0.96 N ATOM 221 CA VAL A 17 2.483 -15.960 -5.345 1.00 1.03 C ATOM 222 C VAL A 17 1.532 -15.263 -4.362 1.00 1.03 C ATOM 223 O VAL A 17 1.542 -14.056 -4.248 1.00 1.05 O ATOM 224 CB VAL A 17 1.767 -16.348 -6.647 1.00 1.16 C ATOM 225 CG1 VAL A 17 2.752 -17.033 -7.597 1.00 1.21 C ATOM 226 CG2 VAL A 17 0.600 -17.297 -6.365 1.00 1.20 C ATOM 0 H VAL A 17 2.714 -18.083 -5.236 1.00 0.96 H new ATOM 0 HA VAL A 17 3.289 -15.256 -5.553 1.00 1.03 H new ATOM 0 HB VAL A 17 1.379 -15.438 -7.106 1.00 1.16 H new ATOM 0 HG11 VAL A 17 2.238 -17.306 -8.519 1.00 1.21 H new ATOM 0 HG12 VAL A 17 3.571 -16.351 -7.826 1.00 1.21 H new ATOM 0 HG13 VAL A 17 3.149 -17.931 -7.124 1.00 1.21 H new ATOM 0 HG21 VAL A 17 0.108 -17.558 -7.302 1.00 1.20 H new ATOM 0 HG22 VAL A 17 0.975 -18.202 -5.888 1.00 1.20 H new ATOM 0 HG23 VAL A 17 -0.115 -16.808 -5.704 1.00 1.20 H new ATOM 236 N ILE A 18 0.732 -16.007 -3.629 1.00 1.04 N ATOM 237 CA ILE A 18 -0.186 -15.357 -2.636 1.00 1.10 C ATOM 238 C ILE A 18 0.641 -14.711 -1.529 1.00 1.04 C ATOM 239 O ILE A 18 0.360 -13.612 -1.106 1.00 1.09 O ATOM 240 CB ILE A 18 -1.079 -16.483 -2.093 1.00 1.20 C ATOM 241 CG1 ILE A 18 -2.206 -16.765 -3.092 1.00 1.35 C ATOM 242 CG2 ILE A 18 -1.691 -16.065 -0.753 1.00 1.32 C ATOM 243 CD1 ILE A 18 -2.967 -18.024 -2.667 1.00 1.49 C ATOM 0 H ILE A 18 0.675 -17.024 -3.675 1.00 1.04 H new ATOM 0 HA ILE A 18 -0.794 -14.568 -3.079 1.00 1.10 H new ATOM 0 HB ILE A 18 -0.475 -17.379 -1.951 1.00 1.20 H new ATOM 0 HG12 ILE A 18 -2.886 -15.915 -3.137 1.00 1.35 H new ATOM 0 HG13 ILE A 18 -1.794 -16.897 -4.092 1.00 1.35 H new ATOM 0 HG21 ILE A 18 -2.323 -16.869 -0.375 1.00 1.32 H new ATOM 0 HG22 ILE A 18 -0.895 -15.862 -0.037 1.00 1.32 H new ATOM 0 HG23 ILE A 18 -2.292 -15.166 -0.892 1.00 1.32 H new ATOM 0 HD11 ILE A 18 -3.768 -18.223 -3.379 1.00 1.49 H new ATOM 0 HD12 ILE A 18 -2.283 -18.872 -2.644 1.00 1.49 H new ATOM 0 HD13 ILE A 18 -3.392 -17.874 -1.675 1.00 1.49 H new ATOM 255 N VAL A 19 1.673 -15.365 -1.082 1.00 0.99 N ATOM 256 CA VAL A 19 2.537 -14.754 -0.027 1.00 1.01 C ATOM 257 C VAL A 19 3.203 -13.500 -0.608 1.00 0.97 C ATOM 258 O VAL A 19 3.217 -12.452 0.010 1.00 1.01 O ATOM 259 CB VAL A 19 3.574 -15.829 0.330 1.00 1.04 C ATOM 260 CG1 VAL A 19 4.703 -15.216 1.165 1.00 1.16 C ATOM 261 CG2 VAL A 19 2.901 -16.938 1.144 1.00 1.19 C ATOM 0 H VAL A 19 1.958 -16.292 -1.397 1.00 0.99 H new ATOM 0 HA VAL A 19 1.983 -14.450 0.861 1.00 1.01 H new ATOM 0 HB VAL A 19 3.987 -16.239 -0.592 1.00 1.04 H new ATOM 0 HG11 VAL A 19 5.432 -15.987 1.412 1.00 1.16 H new ATOM 0 HG12 VAL A 19 5.190 -14.426 0.594 1.00 1.16 H new ATOM 0 HG13 VAL A 19 4.291 -14.798 2.084 1.00 1.16 H new ATOM 0 HG21 VAL A 19 3.637 -17.701 1.397 1.00 1.19 H new ATOM 0 HG22 VAL A 19 2.485 -16.516 2.059 1.00 1.19 H new ATOM 0 HG23 VAL A 19 2.101 -17.387 0.555 1.00 1.19 H new ATOM 271 N ILE A 20 3.725 -13.595 -1.809 1.00 0.94 N ATOM 272 CA ILE A 20 4.356 -12.399 -2.449 1.00 0.98 C ATOM 273 C ILE A 20 3.296 -11.314 -2.630 1.00 1.01 C ATOM 274 O ILE A 20 3.503 -10.162 -2.295 1.00 1.05 O ATOM 275 CB ILE A 20 4.882 -12.890 -3.805 1.00 1.04 C ATOM 276 CG1 ILE A 20 6.059 -13.844 -3.581 1.00 1.07 C ATOM 277 CG2 ILE A 20 5.354 -11.698 -4.641 1.00 1.20 C ATOM 278 CD1 ILE A 20 6.374 -14.588 -4.882 1.00 1.16 C ATOM 0 H ILE A 20 3.741 -14.446 -2.371 1.00 0.94 H new ATOM 0 HA ILE A 20 5.161 -11.973 -1.851 1.00 0.98 H new ATOM 0 HB ILE A 20 4.081 -13.409 -4.332 1.00 1.04 H new ATOM 0 HG12 ILE A 20 6.934 -13.286 -3.249 1.00 1.07 H new ATOM 0 HG13 ILE A 20 5.817 -14.557 -2.792 1.00 1.07 H new ATOM 0 HG21 ILE A 20 5.726 -12.052 -5.602 1.00 1.20 H new ATOM 0 HG22 ILE A 20 4.520 -11.015 -4.804 1.00 1.20 H new ATOM 0 HG23 ILE A 20 6.152 -11.176 -4.113 1.00 1.20 H new ATOM 0 HD11 ILE A 20 7.212 -15.266 -4.720 1.00 1.16 H new ATOM 0 HD12 ILE A 20 5.500 -15.159 -5.195 1.00 1.16 H new ATOM 0 HD13 ILE A 20 6.634 -13.869 -5.659 1.00 1.16 H new ATOM 290 N LEU A 21 2.150 -11.689 -3.130 1.00 1.03 N ATOM 291 CA LEU A 21 1.043 -10.702 -3.309 1.00 1.13 C ATOM 292 C LEU A 21 0.678 -10.113 -1.944 1.00 1.14 C ATOM 293 O LEU A 21 0.615 -8.907 -1.776 1.00 1.19 O ATOM 294 CB LEU A 21 -0.127 -11.503 -3.891 1.00 1.22 C ATOM 295 CG LEU A 21 -0.021 -11.536 -5.416 1.00 1.34 C ATOM 296 CD1 LEU A 21 -0.842 -12.707 -5.959 1.00 1.43 C ATOM 297 CD2 LEU A 21 -0.563 -10.227 -5.992 1.00 1.63 C ATOM 0 H LEU A 21 1.930 -12.641 -3.424 1.00 1.03 H new ATOM 0 HA LEU A 21 1.313 -9.874 -3.964 1.00 1.13 H new ATOM 0 HB2 LEU A 21 -0.118 -12.518 -3.494 1.00 1.22 H new ATOM 0 HB3 LEU A 21 -1.073 -11.052 -3.592 1.00 1.22 H new ATOM 0 HG LEU A 21 1.023 -11.658 -5.705 1.00 1.34 H new ATOM 0 HD11 LEU A 21 -0.767 -12.731 -7.046 1.00 1.43 H new ATOM 0 HD12 LEU A 21 -0.459 -13.641 -5.548 1.00 1.43 H new ATOM 0 HD13 LEU A 21 -1.886 -12.584 -5.670 1.00 1.43 H new ATOM 0 HD21 LEU A 21 -0.488 -10.249 -7.079 1.00 1.63 H new ATOM 0 HD22 LEU A 21 -1.607 -10.107 -5.703 1.00 1.63 H new ATOM 0 HD23 LEU A 21 0.019 -9.391 -5.605 1.00 1.63 H new ATOM 309 N ILE A 22 0.468 -10.956 -0.958 1.00 1.13 N ATOM 310 CA ILE A 22 0.140 -10.443 0.410 1.00 1.19 C ATOM 311 C ILE A 22 1.253 -9.498 0.880 1.00 1.15 C ATOM 312 O ILE A 22 0.996 -8.436 1.419 1.00 1.21 O ATOM 313 CB ILE A 22 0.054 -11.689 1.307 1.00 1.23 C ATOM 314 CG1 ILE A 22 -1.292 -12.387 1.086 1.00 1.35 C ATOM 315 CG2 ILE A 22 0.171 -11.286 2.782 1.00 1.36 C ATOM 316 CD1 ILE A 22 -1.278 -13.756 1.770 1.00 1.39 C ATOM 0 H ILE A 22 0.510 -11.972 -1.042 1.00 1.13 H new ATOM 0 HA ILE A 22 -0.793 -9.880 0.435 1.00 1.19 H new ATOM 0 HB ILE A 22 0.870 -12.364 1.051 1.00 1.23 H new ATOM 0 HG12 ILE A 22 -2.100 -11.776 1.488 1.00 1.35 H new ATOM 0 HG13 ILE A 22 -1.482 -12.504 0.019 1.00 1.35 H new ATOM 0 HG21 ILE A 22 0.109 -12.176 3.408 1.00 1.36 H new ATOM 0 HG22 ILE A 22 1.128 -10.791 2.949 1.00 1.36 H new ATOM 0 HG23 ILE A 22 -0.640 -10.604 3.038 1.00 1.36 H new ATOM 0 HD11 ILE A 22 -2.236 -14.251 1.612 1.00 1.39 H new ATOM 0 HD12 ILE A 22 -0.480 -14.366 1.347 1.00 1.39 H new ATOM 0 HD13 ILE A 22 -1.108 -13.627 2.839 1.00 1.39 H new ATOM 328 N ALA A 23 2.486 -9.873 0.654 1.00 1.09 N ATOM 329 CA ALA A 23 3.626 -8.996 1.063 1.00 1.10 C ATOM 330 C ALA A 23 3.584 -7.683 0.273 1.00 1.09 C ATOM 331 O ALA A 23 3.702 -6.612 0.839 1.00 1.14 O ATOM 332 CB ALA A 23 4.887 -9.799 0.733 1.00 1.11 C ATOM 0 H ALA A 23 2.753 -10.748 0.204 1.00 1.09 H new ATOM 0 HA ALA A 23 3.590 -8.728 2.119 1.00 1.10 H new ATOM 0 HB1 ALA A 23 5.769 -9.220 1.006 1.00 1.11 H new ATOM 0 HB2 ALA A 23 4.880 -10.734 1.293 1.00 1.11 H new ATOM 0 HB3 ALA A 23 4.911 -10.016 -0.335 1.00 1.11 H new ATOM 338 N ILE A 24 3.393 -7.750 -1.024 1.00 1.08 N ATOM 339 CA ILE A 24 3.316 -6.496 -1.838 1.00 1.13 C ATOM 340 C ILE A 24 2.154 -5.637 -1.324 1.00 1.15 C ATOM 341 O ILE A 24 2.296 -4.448 -1.107 1.00 1.18 O ATOM 342 CB ILE A 24 3.064 -6.956 -3.281 1.00 1.19 C ATOM 343 CG1 ILE A 24 4.351 -7.562 -3.861 1.00 1.24 C ATOM 344 CG2 ILE A 24 2.631 -5.766 -4.145 1.00 1.32 C ATOM 345 CD1 ILE A 24 5.440 -6.486 -3.967 1.00 1.39 C ATOM 0 H ILE A 24 3.288 -8.616 -1.552 1.00 1.08 H new ATOM 0 HA ILE A 24 4.223 -5.895 -1.774 1.00 1.13 H new ATOM 0 HB ILE A 24 2.273 -7.706 -3.280 1.00 1.19 H new ATOM 0 HG12 ILE A 24 4.696 -8.378 -3.226 1.00 1.24 H new ATOM 0 HG13 ILE A 24 4.151 -7.986 -4.845 1.00 1.24 H new ATOM 0 HG21 ILE A 24 2.455 -6.103 -5.167 1.00 1.32 H new ATOM 0 HG22 ILE A 24 1.714 -5.338 -3.741 1.00 1.32 H new ATOM 0 HG23 ILE A 24 3.416 -5.010 -4.143 1.00 1.32 H new ATOM 0 HD11 ILE A 24 6.348 -6.926 -4.379 1.00 1.39 H new ATOM 0 HD12 ILE A 24 5.097 -5.684 -4.620 1.00 1.39 H new ATOM 0 HD13 ILE A 24 5.650 -6.082 -2.977 1.00 1.39 H new ATOM 357 N ALA A 25 1.011 -6.244 -1.107 1.00 1.18 N ATOM 358 CA ALA A 25 -0.159 -5.476 -0.584 1.00 1.25 C ATOM 359 C ALA A 25 0.175 -4.905 0.795 1.00 1.24 C ATOM 360 O ALA A 25 -0.074 -3.745 1.074 1.00 1.28 O ATOM 361 CB ALA A 25 -1.302 -6.492 -0.499 1.00 1.33 C ATOM 0 H ALA A 25 0.840 -7.236 -1.270 1.00 1.18 H new ATOM 0 HA ALA A 25 -0.427 -4.633 -1.221 1.00 1.25 H new ATOM 0 HB1 ALA A 25 -2.199 -6.000 -0.122 1.00 1.33 H new ATOM 0 HB2 ALA A 25 -1.501 -6.899 -1.490 1.00 1.33 H new ATOM 0 HB3 ALA A 25 -1.021 -7.301 0.175 1.00 1.33 H new ATOM 367 N ALA A 26 0.763 -5.703 1.648 1.00 1.22 N ATOM 368 CA ALA A 26 1.146 -5.201 3.002 1.00 1.26 C ATOM 369 C ALA A 26 2.150 -4.056 2.846 1.00 1.21 C ATOM 370 O ALA A 26 2.033 -3.026 3.483 1.00 1.24 O ATOM 371 CB ALA A 26 1.779 -6.398 3.715 1.00 1.29 C ATOM 0 H ALA A 26 0.994 -6.680 1.466 1.00 1.22 H new ATOM 0 HA ALA A 26 0.298 -4.815 3.568 1.00 1.26 H new ATOM 0 HB1 ALA A 26 2.086 -6.103 4.719 1.00 1.29 H new ATOM 0 HB2 ALA A 26 1.053 -7.208 3.781 1.00 1.29 H new ATOM 0 HB3 ALA A 26 2.650 -6.737 3.154 1.00 1.29 H new ATOM 377 N LEU A 27 3.117 -4.216 1.973 1.00 1.18 N ATOM 378 CA LEU A 27 4.108 -3.126 1.737 1.00 1.17 C ATOM 379 C LEU A 27 3.367 -1.891 1.207 1.00 1.15 C ATOM 380 O LEU A 27 3.544 -0.793 1.705 1.00 1.16 O ATOM 381 CB LEU A 27 5.074 -3.687 0.686 1.00 1.17 C ATOM 382 CG LEU A 27 5.936 -2.557 0.118 1.00 1.24 C ATOM 383 CD1 LEU A 27 7.409 -2.956 0.179 1.00 1.35 C ATOM 384 CD2 LEU A 27 5.545 -2.298 -1.338 1.00 1.27 C ATOM 0 H LEU A 27 3.260 -5.057 1.414 1.00 1.18 H new ATOM 0 HA LEU A 27 4.642 -2.825 2.638 1.00 1.17 H new ATOM 0 HB2 LEU A 27 5.709 -4.451 1.134 1.00 1.17 H new ATOM 0 HB3 LEU A 27 4.514 -4.168 -0.116 1.00 1.17 H new ATOM 0 HG LEU A 27 5.777 -1.653 0.707 1.00 1.24 H new ATOM 0 HD11 LEU A 27 8.021 -2.150 -0.226 1.00 1.35 H new ATOM 0 HD12 LEU A 27 7.693 -3.142 1.215 1.00 1.35 H new ATOM 0 HD13 LEU A 27 7.565 -3.861 -0.408 1.00 1.35 H new ATOM 0 HD21 LEU A 27 6.159 -1.493 -1.742 1.00 1.27 H new ATOM 0 HD22 LEU A 27 5.703 -3.204 -1.924 1.00 1.27 H new ATOM 0 HD23 LEU A 27 4.494 -2.012 -1.387 1.00 1.27 H new ATOM 396 N GLY A 28 2.517 -2.074 0.220 1.00 1.16 N ATOM 397 CA GLY A 28 1.739 -0.923 -0.329 1.00 1.19 C ATOM 398 C GLY A 28 0.940 -0.281 0.805 1.00 1.22 C ATOM 399 O GLY A 28 0.915 0.929 0.949 1.00 1.25 O ATOM 0 H GLY A 28 2.332 -2.972 -0.226 1.00 1.16 H new ATOM 0 HA2 GLY A 28 2.412 -0.192 -0.777 1.00 1.19 H new ATOM 0 HA3 GLY A 28 1.068 -1.263 -1.118 1.00 1.19 H new ATOM 403 N ALA A 29 0.302 -1.083 1.629 1.00 1.26 N ATOM 404 CA ALA A 29 -0.478 -0.517 2.772 1.00 1.34 C ATOM 405 C ALA A 29 0.466 0.190 3.746 1.00 1.32 C ATOM 406 O ALA A 29 0.190 1.280 4.211 1.00 1.37 O ATOM 407 CB ALA A 29 -1.157 -1.720 3.434 1.00 1.42 C ATOM 0 H ALA A 29 0.290 -2.100 1.557 1.00 1.26 H new ATOM 0 HA ALA A 29 -1.211 0.223 2.451 1.00 1.34 H new ATOM 0 HB1 ALA A 29 -1.749 -1.381 4.284 1.00 1.42 H new ATOM 0 HB2 ALA A 29 -1.808 -2.213 2.712 1.00 1.42 H new ATOM 0 HB3 ALA A 29 -0.398 -2.423 3.778 1.00 1.42 H new ATOM 413 N LEU A 30 1.587 -0.414 4.032 1.00 1.30 N ATOM 414 CA LEU A 30 2.576 0.227 4.952 1.00 1.33 C ATOM 415 C LEU A 30 3.025 1.567 4.357 1.00 1.27 C ATOM 416 O LEU A 30 3.141 2.559 5.054 1.00 1.32 O ATOM 417 CB LEU A 30 3.752 -0.756 5.031 1.00 1.35 C ATOM 418 CG LEU A 30 3.554 -1.702 6.217 1.00 1.49 C ATOM 419 CD1 LEU A 30 4.437 -2.936 6.036 1.00 1.55 C ATOM 420 CD2 LEU A 30 3.946 -0.985 7.509 1.00 1.72 C ATOM 0 H LEU A 30 1.863 -1.326 3.668 1.00 1.30 H new ATOM 0 HA LEU A 30 2.163 0.430 5.940 1.00 1.33 H new ATOM 0 HB2 LEU A 30 3.824 -1.327 4.106 1.00 1.35 H new ATOM 0 HB3 LEU A 30 4.689 -0.210 5.142 1.00 1.35 H new ATOM 0 HG LEU A 30 2.508 -2.006 6.270 1.00 1.49 H new ATOM 0 HD11 LEU A 30 4.297 -3.611 6.880 1.00 1.55 H new ATOM 0 HD12 LEU A 30 4.163 -3.447 5.113 1.00 1.55 H new ATOM 0 HD13 LEU A 30 5.482 -2.631 5.985 1.00 1.55 H new ATOM 0 HD21 LEU A 30 3.806 -1.657 8.355 1.00 1.72 H new ATOM 0 HD22 LEU A 30 4.992 -0.683 7.455 1.00 1.72 H new ATOM 0 HD23 LEU A 30 3.320 -0.102 7.639 1.00 1.72 H new ATOM 432 N ILE A 31 3.252 1.605 3.065 1.00 1.19 N ATOM 433 CA ILE A 31 3.672 2.883 2.410 1.00 1.15 C ATOM 434 C ILE A 31 2.496 3.872 2.426 1.00 1.16 C ATOM 435 O ILE A 31 2.621 4.989 2.896 1.00 1.18 O ATOM 436 CB ILE A 31 4.060 2.496 0.975 1.00 1.13 C ATOM 437 CG1 ILE A 31 5.324 1.632 1.001 1.00 1.12 C ATOM 438 CG2 ILE A 31 4.338 3.754 0.149 1.00 1.24 C ATOM 439 CD1 ILE A 31 5.549 1.007 -0.379 1.00 1.25 C ATOM 0 H ILE A 31 3.164 0.806 2.437 1.00 1.19 H new ATOM 0 HA ILE A 31 4.504 3.368 2.920 1.00 1.15 H new ATOM 0 HB ILE A 31 3.237 1.940 0.526 1.00 1.13 H new ATOM 0 HG12 ILE A 31 6.185 2.238 1.281 1.00 1.12 H new ATOM 0 HG13 ILE A 31 5.226 0.850 1.754 1.00 1.12 H new ATOM 0 HG21 ILE A 31 4.612 3.469 -0.867 1.00 1.24 H new ATOM 0 HG22 ILE A 31 3.444 4.377 0.122 1.00 1.24 H new ATOM 0 HG23 ILE A 31 5.156 4.313 0.602 1.00 1.24 H new ATOM 0 HD11 ILE A 31 6.449 0.393 -0.358 1.00 1.25 H new ATOM 0 HD12 ILE A 31 4.692 0.386 -0.641 1.00 1.25 H new ATOM 0 HD13 ILE A 31 5.666 1.797 -1.121 1.00 1.25 H new ATOM 451 N LEU A 32 1.349 3.457 1.939 1.00 1.18 N ATOM 452 CA LEU A 32 0.152 4.358 1.945 1.00 1.23 C ATOM 453 C LEU A 32 -0.105 4.872 3.372 1.00 1.31 C ATOM 454 O LEU A 32 -0.302 6.057 3.591 1.00 1.36 O ATOM 455 CB LEU A 32 -1.009 3.474 1.465 1.00 1.29 C ATOM 456 CG LEU A 32 -2.021 4.322 0.693 1.00 1.77 C ATOM 457 CD1 LEU A 32 -2.399 3.612 -0.607 1.00 1.92 C ATOM 458 CD2 LEU A 32 -3.275 4.512 1.547 1.00 2.22 C ATOM 0 H LEU A 32 1.191 2.533 1.538 1.00 1.18 H new ATOM 0 HA LEU A 32 0.281 5.234 1.310 1.00 1.23 H new ATOM 0 HB2 LEU A 32 -0.630 2.674 0.829 1.00 1.29 H new ATOM 0 HB3 LEU A 32 -1.494 3.000 2.318 1.00 1.29 H new ATOM 0 HG LEU A 32 -1.581 5.292 0.462 1.00 1.77 H new ATOM 0 HD11 LEU A 32 -3.120 4.218 -1.156 1.00 1.92 H new ATOM 0 HD12 LEU A 32 -1.507 3.469 -1.216 1.00 1.92 H new ATOM 0 HD13 LEU A 32 -2.840 2.642 -0.377 1.00 1.92 H new ATOM 0 HD21 LEU A 32 -3.999 5.116 1.001 1.00 2.22 H new ATOM 0 HD22 LEU A 32 -3.711 3.539 1.774 1.00 2.22 H new ATOM 0 HD23 LEU A 32 -3.009 5.016 2.476 1.00 2.22 H new ATOM 470 N GLY A 33 -0.080 3.986 4.343 1.00 1.38 N ATOM 471 CA GLY A 33 -0.297 4.404 5.764 1.00 1.50 C ATOM 472 C GLY A 33 0.807 5.382 6.176 1.00 1.47 C ATOM 473 O GLY A 33 0.534 6.430 6.731 1.00 1.54 O ATOM 0 H GLY A 33 0.082 2.988 4.209 1.00 1.38 H new ATOM 0 HA2 GLY A 33 -1.274 4.874 5.872 1.00 1.50 H new ATOM 0 HA3 GLY A 33 -0.289 3.532 6.417 1.00 1.50 H new ATOM 988 N GLN A 66 -5.752 4.652 -30.040 1.00 2.05 N ATOM 989 CA GLN A 66 -5.997 5.675 -31.100 1.00 2.03 C ATOM 990 C GLN A 66 -4.665 6.271 -31.547 1.00 1.82 C ATOM 991 O GLN A 66 -4.388 6.369 -32.726 1.00 1.75 O ATOM 992 CB GLN A 66 -6.894 6.731 -30.447 1.00 2.19 C ATOM 993 CG GLN A 66 -7.237 7.822 -31.468 1.00 2.50 C ATOM 994 CD GLN A 66 -8.695 7.685 -31.915 1.00 3.42 C ATOM 995 OE1 GLN A 66 -8.969 7.428 -33.070 1.00 3.97 O ATOM 996 NE2 GLN A 66 -9.646 7.840 -31.045 1.00 3.99 N ATOM 0 HA GLN A 66 -6.472 5.259 -31.988 1.00 2.03 H new ATOM 0 HB2 GLN A 66 -7.808 6.267 -30.076 1.00 2.19 H new ATOM 0 HB3 GLN A 66 -6.388 7.170 -29.587 1.00 2.19 H new ATOM 0 HG2 GLN A 66 -7.074 8.806 -31.029 1.00 2.50 H new ATOM 0 HG3 GLN A 66 -6.575 7.745 -32.331 1.00 2.50 H new ATOM 0 HE21 GLN A 66 -9.419 8.056 -30.074 1.00 3.99 H new ATOM 0 HE22 GLN A 66 -10.620 7.746 -31.332 1.00 3.99 H new ATOM 1005 N TYR A 67 -3.827 6.635 -30.615 1.00 1.80 N ATOM 1006 CA TYR A 67 -2.491 7.194 -30.982 1.00 1.71 C ATOM 1007 C TYR A 67 -1.614 6.082 -31.560 1.00 1.66 C ATOM 1008 O TYR A 67 -0.939 6.263 -32.558 1.00 1.61 O ATOM 1009 CB TYR A 67 -1.898 7.728 -29.679 1.00 1.86 C ATOM 1010 CG TYR A 67 -1.355 9.112 -29.923 1.00 2.02 C ATOM 1011 CD1 TYR A 67 -2.214 10.215 -29.899 1.00 2.52 C ATOM 1012 CD2 TYR A 67 0.008 9.293 -30.182 1.00 2.22 C ATOM 1013 CE1 TYR A 67 -1.711 11.498 -30.135 1.00 3.04 C ATOM 1014 CE2 TYR A 67 0.508 10.577 -30.419 1.00 2.82 C ATOM 1015 CZ TYR A 67 -0.352 11.676 -30.393 1.00 3.16 C ATOM 1016 OH TYR A 67 0.143 12.936 -30.622 1.00 3.90 O ATOM 0 H TYR A 67 -4.009 6.570 -29.613 1.00 1.80 H new ATOM 0 HA TYR A 67 -2.561 7.979 -31.735 1.00 1.71 H new ATOM 0 HB2 TYR A 67 -2.660 7.754 -28.900 1.00 1.86 H new ATOM 0 HB3 TYR A 67 -1.105 7.068 -29.327 1.00 1.86 H new ATOM 0 HD1 TYR A 67 -3.266 10.076 -29.698 1.00 2.52 H new ATOM 0 HD2 TYR A 67 0.673 8.442 -30.199 1.00 2.22 H new ATOM 0 HE1 TYR A 67 -2.374 12.350 -30.118 1.00 3.04 H new ATOM 0 HE2 TYR A 67 1.559 10.718 -30.622 1.00 2.82 H new ATOM 0 HH TYR A 67 1.108 12.884 -30.784 1.00 3.90 H new ATOM 1026 N SER A 68 -1.648 4.932 -30.943 1.00 1.74 N ATOM 1027 CA SER A 68 -0.849 3.765 -31.436 1.00 1.84 C ATOM 1028 C SER A 68 -1.277 3.403 -32.863 1.00 1.85 C ATOM 1029 O SER A 68 -0.464 3.025 -33.679 1.00 1.92 O ATOM 1030 CB SER A 68 -1.180 2.616 -30.479 1.00 2.00 C ATOM 1031 OG SER A 68 -0.806 2.977 -29.153 1.00 2.01 O ATOM 0 H SER A 68 -2.202 4.746 -30.107 1.00 1.74 H new ATOM 0 HA SER A 68 0.219 3.980 -31.460 1.00 1.84 H new ATOM 0 HB2 SER A 68 -2.246 2.392 -30.519 1.00 2.00 H new ATOM 0 HB3 SER A 68 -0.652 1.712 -30.783 1.00 2.00 H new ATOM 0 HG SER A 68 -1.020 2.242 -28.541 1.00 2.01 H new ATOM 1037 N ALA A 69 -2.550 3.502 -33.166 1.00 1.85 N ATOM 1038 CA ALA A 69 -3.028 3.157 -34.538 1.00 1.93 C ATOM 1039 C ALA A 69 -2.862 4.340 -35.501 1.00 1.76 C ATOM 1040 O ALA A 69 -2.421 4.177 -36.628 1.00 1.80 O ATOM 1041 CB ALA A 69 -4.507 2.808 -34.361 1.00 2.09 C ATOM 0 H ALA A 69 -3.278 3.808 -32.520 1.00 1.85 H new ATOM 0 HA ALA A 69 -2.456 2.335 -34.970 1.00 1.93 H new ATOM 0 HB1 ALA A 69 -4.936 2.542 -35.327 1.00 2.09 H new ATOM 0 HB2 ALA A 69 -4.603 1.965 -33.677 1.00 2.09 H new ATOM 0 HB3 ALA A 69 -5.038 3.668 -33.953 1.00 2.09 H new ATOM 1047 N LYS A 70 -3.203 5.530 -35.074 1.00 1.63 N ATOM 1048 CA LYS A 70 -3.061 6.711 -35.984 1.00 1.51 C ATOM 1049 C LYS A 70 -1.585 7.050 -36.210 1.00 1.43 C ATOM 1050 O LYS A 70 -1.227 7.609 -37.228 1.00 1.40 O ATOM 1051 CB LYS A 70 -3.814 7.872 -35.310 1.00 1.55 C ATOM 1052 CG LYS A 70 -3.081 8.331 -34.046 1.00 1.55 C ATOM 1053 CD LYS A 70 -2.136 9.485 -34.381 1.00 1.54 C ATOM 1054 CE LYS A 70 -0.866 9.345 -33.542 1.00 1.58 C ATOM 1055 NZ LYS A 70 0.036 10.434 -34.023 1.00 1.66 N ATOM 0 H LYS A 70 -3.570 5.735 -34.145 1.00 1.63 H new ATOM 0 HA LYS A 70 -3.478 6.506 -36.970 1.00 1.51 H new ATOM 0 HB2 LYS A 70 -3.906 8.706 -36.006 1.00 1.55 H new ATOM 0 HB3 LYS A 70 -4.826 7.557 -35.055 1.00 1.55 H new ATOM 0 HG2 LYS A 70 -3.802 8.647 -33.292 1.00 1.55 H new ATOM 0 HG3 LYS A 70 -2.518 7.501 -33.620 1.00 1.55 H new ATOM 0 HD2 LYS A 70 -1.889 9.474 -35.443 1.00 1.54 H new ATOM 0 HD3 LYS A 70 -2.620 10.440 -34.176 1.00 1.54 H new ATOM 0 HE2 LYS A 70 -1.081 9.452 -32.479 1.00 1.58 H new ATOM 0 HE3 LYS A 70 -0.409 8.365 -33.678 1.00 1.58 H new ATOM 0 HZ1 LYS A 70 0.931 10.403 -33.493 1.00 1.66 H new ATOM 0 HZ2 LYS A 70 0.229 10.303 -35.036 1.00 1.66 H new ATOM 0 HZ3 LYS A 70 -0.423 11.356 -33.874 1.00 1.66 H new ATOM 1069 N GLY A 71 -0.723 6.700 -35.284 1.00 1.47 N ATOM 1070 CA GLY A 71 0.737 6.984 -35.462 1.00 1.55 C ATOM 1071 C GLY A 71 1.207 6.374 -36.783 1.00 1.62 C ATOM 1072 O GLY A 71 1.569 7.093 -37.693 1.00 1.59 O ATOM 0 H GLY A 71 -0.968 6.230 -34.413 1.00 1.47 H new ATOM 0 HA2 GLY A 71 0.914 8.060 -35.460 1.00 1.55 H new ATOM 0 HA3 GLY A 71 1.306 6.566 -34.631 1.00 1.55 H new ATOM 1076 N PRO A 72 1.153 5.063 -36.857 1.00 1.79 N ATOM 1077 CA PRO A 72 1.556 4.353 -38.096 1.00 1.98 C ATOM 1078 C PRO A 72 0.586 4.693 -39.237 1.00 1.88 C ATOM 1079 O PRO A 72 0.997 4.851 -40.371 1.00 1.94 O ATOM 1080 CB PRO A 72 1.484 2.874 -37.707 1.00 2.24 C ATOM 1081 CG PRO A 72 0.527 2.835 -36.564 1.00 2.13 C ATOM 1082 CD PRO A 72 0.719 4.126 -35.815 1.00 1.90 C ATOM 0 HA PRO A 72 2.546 4.630 -38.457 1.00 1.98 H new ATOM 0 HB2 PRO A 72 1.135 2.261 -38.538 1.00 2.24 H new ATOM 0 HB3 PRO A 72 2.463 2.491 -37.418 1.00 2.24 H new ATOM 0 HG2 PRO A 72 -0.499 2.739 -36.918 1.00 2.13 H new ATOM 0 HG3 PRO A 72 0.724 1.978 -35.920 1.00 2.13 H new ATOM 0 HD2 PRO A 72 -0.204 4.455 -35.338 1.00 1.90 H new ATOM 0 HD3 PRO A 72 1.466 4.026 -35.028 1.00 1.90 H new ATOM 1090 N CYS A 73 -0.692 4.835 -38.953 1.00 1.78 N ATOM 1091 CA CYS A 73 -1.659 5.195 -40.040 1.00 1.77 C ATOM 1092 C CYS A 73 -1.266 6.544 -40.654 1.00 1.56 C ATOM 1093 O CYS A 73 -1.208 6.698 -41.861 1.00 1.62 O ATOM 1094 CB CYS A 73 -3.030 5.280 -39.366 1.00 1.79 C ATOM 1095 SG CYS A 73 -4.329 5.117 -40.616 1.00 2.20 S ATOM 0 H CYS A 73 -1.101 4.718 -38.026 1.00 1.78 H new ATOM 0 HA CYS A 73 -1.665 4.462 -40.847 1.00 1.77 H new ATOM 0 HB2 CYS A 73 -3.129 4.493 -38.619 1.00 1.79 H new ATOM 0 HB3 CYS A 73 -3.131 6.231 -38.843 1.00 1.79 H new ATOM 0 HG CYS A 73 -5.494 5.187 -40.043 1.00 2.20 H new ATOM 1101 N VAL A 74 -0.971 7.513 -39.826 1.00 1.39 N ATOM 1102 CA VAL A 74 -0.553 8.853 -40.348 1.00 1.27 C ATOM 1103 C VAL A 74 0.859 8.754 -40.930 1.00 1.36 C ATOM 1104 O VAL A 74 1.141 9.274 -41.995 1.00 1.36 O ATOM 1105 CB VAL A 74 -0.597 9.797 -39.139 1.00 1.24 C ATOM 1106 CG1 VAL A 74 0.133 11.100 -39.473 1.00 1.30 C ATOM 1107 CG2 VAL A 74 -2.055 10.116 -38.791 1.00 1.32 C ATOM 0 H VAL A 74 -1.001 7.436 -38.809 1.00 1.39 H new ATOM 0 HA VAL A 74 -1.201 9.216 -41.145 1.00 1.27 H new ATOM 0 HB VAL A 74 -0.112 9.313 -38.291 1.00 1.24 H new ATOM 0 HG11 VAL A 74 0.099 11.767 -38.612 1.00 1.30 H new ATOM 0 HG12 VAL A 74 1.171 10.882 -39.722 1.00 1.30 H new ATOM 0 HG13 VAL A 74 -0.351 11.581 -40.323 1.00 1.30 H new ATOM 0 HG21 VAL A 74 -2.086 10.787 -37.932 1.00 1.32 H new ATOM 0 HG22 VAL A 74 -2.536 10.596 -39.643 1.00 1.32 H new ATOM 0 HG23 VAL A 74 -2.582 9.193 -38.550 1.00 1.32 H new ATOM 1117 N GLU A 75 1.735 8.062 -40.252 1.00 1.51 N ATOM 1118 CA GLU A 75 3.127 7.890 -40.775 1.00 1.71 C ATOM 1119 C GLU A 75 3.070 7.242 -42.159 1.00 1.82 C ATOM 1120 O GLU A 75 3.776 7.624 -43.074 1.00 1.89 O ATOM 1121 CB GLU A 75 3.825 6.964 -39.776 1.00 1.95 C ATOM 1122 CG GLU A 75 5.107 7.633 -39.270 1.00 2.44 C ATOM 1123 CD GLU A 75 6.179 7.586 -40.355 1.00 2.41 C ATOM 1124 OE1 GLU A 75 6.845 6.569 -40.466 1.00 2.65 O ATOM 1125 OE2 GLU A 75 6.326 8.576 -41.056 1.00 2.62 O ATOM 0 H GLU A 75 1.549 7.607 -39.358 1.00 1.51 H new ATOM 0 HA GLU A 75 3.657 8.837 -40.876 1.00 1.71 H new ATOM 0 HB2 GLU A 75 3.161 6.747 -38.940 1.00 1.95 H new ATOM 0 HB3 GLU A 75 4.062 6.012 -40.251 1.00 1.95 H new ATOM 0 HG2 GLU A 75 4.903 8.667 -38.992 1.00 2.44 H new ATOM 0 HG3 GLU A 75 5.463 7.126 -38.373 1.00 2.44 H new ATOM 1132 N ARG A 76 2.215 6.269 -42.316 1.00 1.90 N ATOM 1133 CA ARG A 76 2.081 5.590 -43.632 1.00 2.09 C ATOM 1134 C ARG A 76 1.404 6.519 -44.645 1.00 1.94 C ATOM 1135 O ARG A 76 1.850 6.643 -45.768 1.00 2.06 O ATOM 1136 CB ARG A 76 1.220 4.358 -43.374 1.00 2.23 C ATOM 1137 CG ARG A 76 1.320 3.433 -44.584 1.00 2.50 C ATOM 1138 CD ARG A 76 -0.022 2.750 -44.827 1.00 2.60 C ATOM 1139 NE ARG A 76 0.345 1.412 -45.366 1.00 3.01 N ATOM 1140 CZ ARG A 76 0.201 0.358 -44.638 1.00 3.30 C ATOM 1141 NH1 ARG A 76 1.065 0.088 -43.716 1.00 3.63 N ATOM 1142 NH2 ARG A 76 -0.812 -0.416 -44.831 1.00 3.65 N ATOM 0 H ARG A 76 1.600 5.914 -41.583 1.00 1.90 H new ATOM 0 HA ARG A 76 3.051 5.320 -44.048 1.00 2.09 H new ATOM 0 HB2 ARG A 76 1.557 3.842 -42.475 1.00 2.23 H new ATOM 0 HB3 ARG A 76 0.183 4.649 -43.205 1.00 2.23 H new ATOM 0 HG2 ARG A 76 1.613 4.003 -45.466 1.00 2.50 H new ATOM 0 HG3 ARG A 76 2.094 2.684 -44.417 1.00 2.50 H new ATOM 0 HD2 ARG A 76 -0.598 2.664 -43.906 1.00 2.60 H new ATOM 0 HD3 ARG A 76 -0.633 3.311 -45.534 1.00 2.60 H new ATOM 0 HE ARG A 76 0.712 1.329 -46.314 1.00 3.01 H new ATOM 0 HH11 ARG A 76 1.860 0.709 -43.565 1.00 3.63 H new ATOM 0 HH12 ARG A 76 0.952 -0.746 -43.139 1.00 3.63 H new ATOM 0 HH21 ARG A 76 -1.494 -0.193 -45.556 1.00 3.65 H new ATOM 0 HH22 ARG A 76 -0.932 -1.252 -44.258 1.00 3.65 H new ATOM 1156 N LYS A 77 0.340 7.182 -44.260 1.00 1.74 N ATOM 1157 CA LYS A 77 -0.343 8.113 -45.212 1.00 1.66 C ATOM 1158 C LYS A 77 0.640 9.207 -45.642 1.00 1.55 C ATOM 1159 O LYS A 77 0.753 9.542 -46.808 1.00 1.62 O ATOM 1160 CB LYS A 77 -1.520 8.709 -44.427 1.00 1.51 C ATOM 1161 CG LYS A 77 -2.763 7.829 -44.612 1.00 1.85 C ATOM 1162 CD LYS A 77 -3.956 8.700 -45.028 1.00 2.01 C ATOM 1163 CE LYS A 77 -3.918 8.938 -46.541 1.00 2.27 C ATOM 1164 NZ LYS A 77 -4.672 10.209 -46.745 1.00 2.37 N ATOM 0 H LYS A 77 -0.083 7.119 -43.334 1.00 1.74 H new ATOM 0 HA LYS A 77 -0.689 7.612 -46.116 1.00 1.66 H new ATOM 0 HB2 LYS A 77 -1.266 8.779 -43.369 1.00 1.51 H new ATOM 0 HB3 LYS A 77 -1.725 9.722 -44.773 1.00 1.51 H new ATOM 0 HG2 LYS A 77 -2.573 7.069 -45.370 1.00 1.85 H new ATOM 0 HG3 LYS A 77 -2.990 7.304 -43.684 1.00 1.85 H new ATOM 0 HD2 LYS A 77 -4.890 8.211 -44.750 1.00 2.01 H new ATOM 0 HD3 LYS A 77 -3.925 9.653 -44.499 1.00 2.01 H new ATOM 0 HE2 LYS A 77 -2.893 9.023 -46.903 1.00 2.27 H new ATOM 0 HE3 LYS A 77 -4.380 8.113 -47.083 1.00 2.27 H new ATOM 0 HZ1 LYS A 77 -4.692 10.442 -47.758 1.00 2.37 H new ATOM 0 HZ2 LYS A 77 -5.645 10.095 -46.397 1.00 2.37 H new ATOM 0 HZ3 LYS A 77 -4.205 10.977 -46.222 1.00 2.37 H new ATOM 1178 N ALA A 78 1.365 9.744 -44.698 1.00 1.45 N ATOM 1179 CA ALA A 78 2.366 10.809 -45.008 1.00 1.46 C ATOM 1180 C ALA A 78 3.488 10.261 -45.901 1.00 1.68 C ATOM 1181 O ALA A 78 3.842 10.844 -46.905 1.00 1.72 O ATOM 1182 CB ALA A 78 2.914 11.237 -43.642 1.00 1.45 C ATOM 0 H ALA A 78 1.306 9.488 -43.712 1.00 1.45 H new ATOM 0 HA ALA A 78 1.925 11.643 -45.553 1.00 1.46 H new ATOM 0 HB1 ALA A 78 3.659 12.020 -43.778 1.00 1.45 H new ATOM 0 HB2 ALA A 78 2.099 11.615 -43.025 1.00 1.45 H new ATOM 0 HB3 ALA A 78 3.374 10.380 -43.150 1.00 1.45 H new ATOM 1188 N LYS A 79 4.045 9.149 -45.537 1.00 1.85 N ATOM 1189 CA LYS A 79 5.151 8.554 -46.350 1.00 2.11 C ATOM 1190 C LYS A 79 4.643 8.054 -47.712 1.00 2.20 C ATOM 1191 O LYS A 79 5.254 8.295 -48.733 1.00 2.37 O ATOM 1192 CB LYS A 79 5.656 7.384 -45.507 1.00 2.28 C ATOM 1193 CG LYS A 79 6.609 7.903 -44.430 1.00 2.32 C ATOM 1194 CD LYS A 79 7.538 6.769 -43.997 1.00 2.61 C ATOM 1195 CE LYS A 79 8.854 7.350 -43.465 1.00 2.98 C ATOM 1196 NZ LYS A 79 8.555 7.810 -42.075 1.00 2.88 N ATOM 0 H LYS A 79 3.786 8.616 -44.707 1.00 1.85 H new ATOM 0 HA LYS A 79 5.930 9.284 -46.570 1.00 2.11 H new ATOM 0 HB2 LYS A 79 4.816 6.866 -45.045 1.00 2.28 H new ATOM 0 HB3 LYS A 79 6.167 6.660 -46.141 1.00 2.28 H new ATOM 0 HG2 LYS A 79 7.191 8.740 -44.815 1.00 2.32 H new ATOM 0 HG3 LYS A 79 6.044 8.274 -43.575 1.00 2.32 H new ATOM 0 HD2 LYS A 79 7.057 6.167 -43.226 1.00 2.61 H new ATOM 0 HD3 LYS A 79 7.736 6.107 -44.840 1.00 2.61 H new ATOM 0 HE2 LYS A 79 9.644 6.599 -43.468 1.00 2.98 H new ATOM 0 HE3 LYS A 79 9.197 8.177 -44.087 1.00 2.98 H new ATOM 0 HZ1 LYS A 79 9.404 8.249 -41.665 1.00 2.88 H new ATOM 0 HZ2 LYS A 79 7.782 8.505 -42.098 1.00 2.88 H new ATOM 0 HZ3 LYS A 79 8.271 6.996 -41.493 1.00 2.88 H new ATOM 1210 N LEU A 80 3.546 7.339 -47.730 1.00 2.15 N ATOM 1211 CA LEU A 80 3.016 6.798 -49.019 1.00 2.30 C ATOM 1212 C LEU A 80 2.444 7.900 -49.922 1.00 2.27 C ATOM 1213 O LEU A 80 2.800 8.002 -51.079 1.00 2.52 O ATOM 1214 CB LEU A 80 1.919 5.805 -48.613 1.00 2.31 C ATOM 1215 CG LEU A 80 1.343 5.128 -49.861 1.00 2.56 C ATOM 1216 CD1 LEU A 80 1.952 3.736 -50.013 1.00 2.85 C ATOM 1217 CD2 LEU A 80 -0.175 5.002 -49.721 1.00 2.66 C ATOM 0 H LEU A 80 2.993 7.106 -46.905 1.00 2.15 H new ATOM 0 HA LEU A 80 3.809 6.330 -49.602 1.00 2.30 H new ATOM 0 HB2 LEU A 80 2.328 5.054 -47.937 1.00 2.31 H new ATOM 0 HB3 LEU A 80 1.128 6.324 -48.072 1.00 2.31 H new ATOM 0 HG LEU A 80 1.580 5.729 -50.739 1.00 2.56 H new ATOM 0 HD11 LEU A 80 1.542 3.255 -50.901 1.00 2.85 H new ATOM 0 HD12 LEU A 80 3.034 3.821 -50.113 1.00 2.85 H new ATOM 0 HD13 LEU A 80 1.715 3.137 -49.134 1.00 2.85 H new ATOM 0 HD21 LEU A 80 -0.584 4.520 -50.609 1.00 2.66 H new ATOM 0 HD22 LEU A 80 -0.411 4.402 -48.842 1.00 2.66 H new ATOM 0 HD23 LEU A 80 -0.614 5.994 -49.612 1.00 2.66 H new