USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 713 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 73 THR OG1 : rot -86:sc= 0.133 USER MOD Set 1.2: A 76 HIS : no HD1:sc= -2.55! X(o=-2.4!,f=-2.6) USER MOD Set 2.1: A 57 THR OG1 : rot 88:sc= 1.08 USER MOD Set 2.2: A 128 HIS : +bothHN:sc= -4.35 K(o=-3.3,f=-4.6) USER MOD Single : A 44 MET CE :methyl 147:sc= -0.0147 (180deg=-0.0866) USER MOD Single : A 45 MET CE :methyl -125:sc= -7.66! (180deg=-10.3!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 167:sc= 1.2 (180deg=1.03) USER MOD Single : A 52 THR OG1 : rot 140:sc= 1.29 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0787 USER MOD Single : A 58 LYS NZ :NH3+ 170:sc= -0.017 (180deg=-0.162) USER MOD Single : A 60 GLN : amide:sc= -5.18! C(o=-5.2!,f=-9!) USER MOD Single : A 61 GLN : amide:sc= 0.205 K(o=0.2,f=-0.37) USER MOD Single : A 67 LYS NZ :NH3+ -138:sc=-0.00597 (180deg=-1.81!) USER MOD Single : A 71 GLN :FLIP amide:sc= -10.3! C(o=-12!,f=-10!) USER MOD Single : A 75 THR OG1 : rot 180:sc=0.000896 USER MOD Single : A 82 MET CE :methyl -147:sc= -0.66 (180deg=-1.25) USER MOD Single : A 86 ASN :FLIP amide:sc= -1.57 F(o=-8.9!,f=-1.6) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -157:sc= -0.114 (180deg=-0.707) USER MOD Single : A 96 GLN :FLIP amide:sc= -0.632 F(o=-1.9!,f=-0.63) USER MOD Single : A 97 LYS NZ :NH3+ -141:sc= -0.0854 (180deg=-0.386) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 130:sc= -0.54 (180deg=-2.18!) USER MOD Single : A 101 SER OG : rot 180:sc= 0.0117 USER MOD Single : A 106 CYS SG : rot -18:sc= -1.54 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot 180:sc= 0 USER MOD Single : A 133 GLN :FLIP amide:sc= -1.83 F(o=-3.1!,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 223 N MET A 44 -13.164 -2.036 2.353 1.00 0.41 N ATOM 224 CA MET A 44 -12.523 -1.779 3.629 1.00 0.41 C ATOM 225 C MET A 44 -11.349 -0.826 3.446 1.00 0.31 C ATOM 226 O MET A 44 -11.241 0.164 4.156 1.00 0.28 O ATOM 227 CB MET A 44 -12.058 -3.088 4.271 1.00 0.50 C ATOM 228 CG MET A 44 -13.186 -3.947 4.841 1.00 0.82 C ATOM 229 SD MET A 44 -14.427 -4.424 3.613 1.00 1.59 S ATOM 230 CE MET A 44 -15.734 -3.239 3.935 1.00 1.62 C ATOM 0 HA MET A 44 -13.249 -1.312 4.295 1.00 0.41 H new ATOM 0 HB2 MET A 44 -11.515 -3.670 3.527 1.00 0.50 H new ATOM 0 HB3 MET A 44 -11.354 -2.856 5.071 1.00 0.50 H new ATOM 0 HG2 MET A 44 -12.758 -4.848 5.281 1.00 0.82 H new ATOM 0 HG3 MET A 44 -13.676 -3.400 5.647 1.00 0.82 H new ATOM 0 HE1 MET A 44 -16.243 -2.996 3.002 1.00 1.62 H new ATOM 0 HE2 MET A 44 -16.449 -3.668 4.637 1.00 1.62 H new ATOM 0 HE3 MET A 44 -15.306 -2.332 4.362 1.00 1.62 H new ATOM 240 N MET A 45 -10.477 -1.111 2.482 1.00 0.28 N ATOM 241 CA MET A 45 -9.370 -0.202 2.181 1.00 0.22 C ATOM 242 C MET A 45 -9.895 1.112 1.615 1.00 0.20 C ATOM 243 O MET A 45 -9.282 2.158 1.797 1.00 0.20 O ATOM 244 CB MET A 45 -8.387 -0.804 1.177 1.00 0.24 C ATOM 245 CG MET A 45 -8.895 -0.748 -0.248 1.00 0.32 C ATOM 246 SD MET A 45 -7.679 -0.130 -1.416 1.00 0.98 S ATOM 247 CE MET A 45 -6.432 -1.402 -1.314 1.00 0.22 C ATOM 0 H MET A 45 -10.512 -1.950 1.903 1.00 0.28 H new ATOM 0 HA MET A 45 -8.847 -0.028 3.121 1.00 0.22 H new ATOM 0 HB2 MET A 45 -7.438 -0.271 1.241 1.00 0.24 H new ATOM 0 HB3 MET A 45 -8.189 -1.841 1.447 1.00 0.24 H new ATOM 0 HG2 MET A 45 -9.207 -1.747 -0.554 1.00 0.32 H new ATOM 0 HG3 MET A 45 -9.780 -0.112 -0.286 1.00 0.32 H new ATOM 0 HE1 MET A 45 -5.471 -0.950 -1.070 1.00 0.22 H new ATOM 0 HE2 MET A 45 -6.704 -2.117 -0.538 1.00 0.22 H new ATOM 0 HE3 MET A 45 -6.358 -1.917 -2.272 1.00 0.22 H new ATOM 257 N SER A 46 -11.008 1.046 0.897 1.00 0.24 N ATOM 258 CA SER A 46 -11.620 2.235 0.338 1.00 0.30 C ATOM 259 C SER A 46 -11.814 3.278 1.431 1.00 0.27 C ATOM 260 O SER A 46 -11.446 4.443 1.268 1.00 0.30 O ATOM 261 CB SER A 46 -12.948 1.867 -0.323 1.00 0.39 C ATOM 262 OG SER A 46 -13.532 2.976 -0.987 1.00 0.53 O ATOM 0 H SER A 46 -11.503 0.179 0.690 1.00 0.24 H new ATOM 0 HA SER A 46 -10.968 2.662 -0.424 1.00 0.30 H new ATOM 0 HB2 SER A 46 -12.787 1.060 -1.037 1.00 0.39 H new ATOM 0 HB3 SER A 46 -13.638 1.491 0.432 1.00 0.39 H new ATOM 0 HG SER A 46 -14.378 2.702 -1.399 1.00 0.53 H new ATOM 268 N GLN A 47 -12.390 2.855 2.547 1.00 0.25 N ATOM 269 CA GLN A 47 -12.495 3.726 3.701 1.00 0.27 C ATOM 270 C GLN A 47 -11.164 3.827 4.454 1.00 0.24 C ATOM 271 O GLN A 47 -10.656 4.922 4.670 1.00 0.29 O ATOM 272 CB GLN A 47 -13.632 3.286 4.642 1.00 0.30 C ATOM 273 CG GLN A 47 -13.574 1.824 5.055 1.00 0.33 C ATOM 274 CD GLN A 47 -14.700 1.418 5.987 1.00 0.43 C ATOM 275 OE1 GLN A 47 -15.851 2.055 5.853 1.00 1.10 O flip ATOM 276 NE2 GLN A 47 -14.535 0.526 6.817 1.00 1.11 N flip ATOM 0 H GLN A 47 -12.787 1.924 2.675 1.00 0.25 H new ATOM 0 HA GLN A 47 -12.741 4.721 3.330 1.00 0.27 H new ATOM 0 HB2 GLN A 47 -13.606 3.906 5.538 1.00 0.30 H new ATOM 0 HB3 GLN A 47 -14.587 3.475 4.152 1.00 0.30 H new ATOM 0 HG2 GLN A 47 -13.608 1.200 4.162 1.00 0.33 H new ATOM 0 HG3 GLN A 47 -12.619 1.629 5.544 1.00 0.33 H new ATOM 0 HE21 GLN A 47 -13.632 0.058 6.890 1.00 1.11 H new ATOM 0 HE22 GLN A 47 -15.301 0.254 7.433 1.00 1.11 H new ATOM 285 N ALA A 48 -10.590 2.682 4.828 1.00 0.21 N ATOM 286 CA ALA A 48 -9.427 2.664 5.709 1.00 0.22 C ATOM 287 C ALA A 48 -8.181 3.217 5.041 1.00 0.20 C ATOM 288 O ALA A 48 -7.594 4.169 5.539 1.00 0.22 O ATOM 289 CB ALA A 48 -9.156 1.257 6.214 1.00 0.24 C ATOM 0 H ALA A 48 -10.912 1.760 4.534 1.00 0.21 H new ATOM 0 HA ALA A 48 -9.666 3.314 6.551 1.00 0.22 H new ATOM 0 HB1 ALA A 48 -8.285 1.267 6.869 1.00 0.24 H new ATOM 0 HB2 ALA A 48 -10.022 0.896 6.768 1.00 0.24 H new ATOM 0 HB3 ALA A 48 -8.966 0.597 5.368 1.00 0.24 H new ATOM 295 N LEU A 49 -7.798 2.667 3.892 1.00 0.18 N ATOM 296 CA LEU A 49 -6.530 3.019 3.264 1.00 0.18 C ATOM 297 C LEU A 49 -6.572 4.406 2.676 1.00 0.19 C ATOM 298 O LEU A 49 -5.751 5.258 3.006 1.00 0.21 O ATOM 299 CB LEU A 49 -6.199 2.057 2.126 1.00 0.23 C ATOM 300 CG LEU A 49 -5.210 0.955 2.443 1.00 0.19 C ATOM 301 CD1 LEU A 49 -4.831 0.269 1.150 1.00 0.47 C ATOM 302 CD2 LEU A 49 -3.978 1.496 3.165 1.00 0.58 C ATOM 0 H LEU A 49 -8.347 1.977 3.379 1.00 0.18 H new ATOM 0 HA LEU A 49 -5.774 2.965 4.047 1.00 0.18 H new ATOM 0 HB2 LEU A 49 -7.127 1.596 1.787 1.00 0.23 H new ATOM 0 HB3 LEU A 49 -5.808 2.638 1.291 1.00 0.23 H new ATOM 0 HG LEU A 49 -5.672 0.236 3.120 1.00 0.19 H new ATOM 0 HD11 LEU A 49 -4.118 -0.529 1.357 1.00 0.47 H new ATOM 0 HD12 LEU A 49 -5.723 -0.152 0.687 1.00 0.47 H new ATOM 0 HD13 LEU A 49 -4.378 0.993 0.473 1.00 0.47 H new ATOM 0 HD21 LEU A 49 -3.291 0.677 3.376 1.00 0.58 H new ATOM 0 HD22 LEU A 49 -3.481 2.233 2.534 1.00 0.58 H new ATOM 0 HD23 LEU A 49 -4.282 1.965 4.101 1.00 0.58 H new ATOM 314 N LYS A 50 -7.526 4.614 1.790 1.00 0.19 N ATOM 315 CA LYS A 50 -7.591 5.836 1.012 1.00 0.21 C ATOM 316 C LYS A 50 -7.680 7.062 1.921 1.00 0.23 C ATOM 317 O LYS A 50 -7.223 8.148 1.565 1.00 0.27 O ATOM 318 CB LYS A 50 -8.764 5.767 0.035 1.00 0.22 C ATOM 319 CG LYS A 50 -8.829 4.447 -0.725 1.00 0.20 C ATOM 320 CD LYS A 50 -7.522 4.148 -1.469 1.00 0.21 C ATOM 321 CE LYS A 50 -7.247 5.152 -2.580 1.00 0.24 C ATOM 322 NZ LYS A 50 -8.054 4.880 -3.794 1.00 0.55 N ATOM 0 H LYS A 50 -8.272 3.948 1.590 1.00 0.19 H new ATOM 0 HA LYS A 50 -6.673 5.937 0.434 1.00 0.21 H new ATOM 0 HB2 LYS A 50 -9.695 5.911 0.583 1.00 0.22 H new ATOM 0 HB3 LYS A 50 -8.684 6.587 -0.678 1.00 0.22 H new ATOM 0 HG2 LYS A 50 -9.043 3.637 -0.027 1.00 0.20 H new ATOM 0 HG3 LYS A 50 -9.653 4.479 -1.438 1.00 0.20 H new ATOM 0 HD2 LYS A 50 -6.693 4.157 -0.761 1.00 0.21 H new ATOM 0 HD3 LYS A 50 -7.569 3.145 -1.892 1.00 0.21 H new ATOM 0 HE2 LYS A 50 -7.463 6.158 -2.220 1.00 0.24 H new ATOM 0 HE3 LYS A 50 -6.188 5.126 -2.837 1.00 0.24 H new ATOM 0 HZ1 LYS A 50 -8.005 5.698 -4.434 1.00 0.55 H new ATOM 0 HZ2 LYS A 50 -7.680 4.039 -4.278 1.00 0.55 H new ATOM 0 HZ3 LYS A 50 -9.044 4.712 -3.522 1.00 0.55 H new ATOM 336 N ALA A 51 -8.269 6.875 3.093 1.00 0.22 N ATOM 337 CA ALA A 51 -8.286 7.912 4.113 1.00 0.23 C ATOM 338 C ALA A 51 -6.959 7.973 4.873 1.00 0.23 C ATOM 339 O ALA A 51 -6.427 9.054 5.128 1.00 0.26 O ATOM 340 CB ALA A 51 -9.434 7.694 5.083 1.00 0.25 C ATOM 0 H ALA A 51 -8.742 6.012 3.361 1.00 0.22 H new ATOM 0 HA ALA A 51 -8.430 8.866 3.606 1.00 0.23 H new ATOM 0 HB1 ALA A 51 -9.428 8.481 5.837 1.00 0.25 H new ATOM 0 HB2 ALA A 51 -10.379 7.719 4.540 1.00 0.25 H new ATOM 0 HB3 ALA A 51 -9.321 6.725 5.569 1.00 0.25 H new ATOM 346 N THR A 52 -6.413 6.800 5.208 1.00 0.21 N ATOM 347 CA THR A 52 -5.300 6.705 6.154 1.00 0.22 C ATOM 348 C THR A 52 -3.958 7.073 5.539 1.00 0.21 C ATOM 349 O THR A 52 -2.981 7.234 6.263 1.00 0.23 O ATOM 350 CB THR A 52 -5.178 5.284 6.760 1.00 0.22 C ATOM 351 OG1 THR A 52 -4.324 5.326 7.914 1.00 0.27 O ATOM 352 CG2 THR A 52 -4.611 4.292 5.739 1.00 0.18 C ATOM 0 H THR A 52 -6.725 5.903 4.837 1.00 0.21 H new ATOM 0 HA THR A 52 -5.537 7.428 6.935 1.00 0.22 H new ATOM 0 HB THR A 52 -6.175 4.948 7.046 1.00 0.22 H new ATOM 0 HG1 THR A 52 -4.695 4.752 8.617 1.00 0.27 H new ATOM 0 HG21 THR A 52 -4.537 3.304 6.194 1.00 0.18 H new ATOM 0 HG22 THR A 52 -5.271 4.244 4.873 1.00 0.18 H new ATOM 0 HG23 THR A 52 -3.621 4.621 5.423 1.00 0.18 H new ATOM 360 N PHE A 53 -3.907 7.224 4.222 1.00 0.23 N ATOM 361 CA PHE A 53 -2.634 7.398 3.524 1.00 0.27 C ATOM 362 C PHE A 53 -1.800 8.533 4.103 1.00 0.32 C ATOM 363 O PHE A 53 -0.569 8.493 4.054 1.00 0.34 O ATOM 364 CB PHE A 53 -2.854 7.631 2.036 1.00 0.31 C ATOM 365 CG PHE A 53 -3.352 6.418 1.317 1.00 0.32 C ATOM 366 CD1 PHE A 53 -2.815 5.171 1.586 1.00 0.30 C ATOM 367 CD2 PHE A 53 -4.352 6.520 0.377 1.00 0.36 C ATOM 368 CE1 PHE A 53 -3.266 4.051 0.923 1.00 0.34 C ATOM 369 CE2 PHE A 53 -4.805 5.402 -0.288 1.00 0.39 C ATOM 370 CZ PHE A 53 -4.262 4.166 -0.016 1.00 0.38 C ATOM 0 H PHE A 53 -4.727 7.230 3.615 1.00 0.23 H new ATOM 0 HA PHE A 53 -2.078 6.471 3.667 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -3.569 8.443 1.904 1.00 0.31 H new ATOM 0 HB3 PHE A 53 -1.917 7.955 1.583 1.00 0.31 H new ATOM 0 HD1 PHE A 53 -2.033 5.075 2.325 1.00 0.30 H new ATOM 0 HD2 PHE A 53 -4.785 7.485 0.159 1.00 0.36 H new ATOM 0 HE1 PHE A 53 -2.837 3.084 1.141 1.00 0.34 H new ATOM 0 HE2 PHE A 53 -5.589 5.495 -1.025 1.00 0.39 H new ATOM 0 HZ PHE A 53 -4.618 3.291 -0.539 1.00 0.38 H new ATOM 380 N SER A 54 -2.477 9.516 4.677 1.00 0.36 N ATOM 381 CA SER A 54 -1.825 10.664 5.277 1.00 0.44 C ATOM 382 C SER A 54 -0.932 10.256 6.448 1.00 0.39 C ATOM 383 O SER A 54 -0.039 10.998 6.841 1.00 0.46 O ATOM 384 CB SER A 54 -2.895 11.651 5.734 1.00 0.55 C ATOM 385 OG SER A 54 -3.999 10.963 6.307 1.00 1.37 O ATOM 0 H SER A 54 -3.495 9.538 4.739 1.00 0.36 H new ATOM 0 HA SER A 54 -1.180 11.133 4.534 1.00 0.44 H new ATOM 0 HB2 SER A 54 -2.472 12.342 6.463 1.00 0.55 H new ATOM 0 HB3 SER A 54 -3.232 12.248 4.887 1.00 0.55 H new ATOM 0 HG SER A 54 -4.675 11.612 6.596 1.00 1.37 H new ATOM 391 N GLY A 55 -1.198 9.084 7.014 1.00 0.31 N ATOM 392 CA GLY A 55 -0.396 8.569 8.105 1.00 0.28 C ATOM 393 C GLY A 55 1.074 8.410 7.756 1.00 0.22 C ATOM 394 O GLY A 55 1.930 9.105 8.308 1.00 0.25 O ATOM 0 H GLY A 55 -1.966 8.475 6.731 1.00 0.31 H new ATOM 0 HA2 GLY A 55 -0.488 9.239 8.960 1.00 0.28 H new ATOM 0 HA3 GLY A 55 -0.794 7.602 8.413 1.00 0.28 H new ATOM 398 N PHE A 56 1.376 7.511 6.828 1.00 0.15 N ATOM 399 CA PHE A 56 2.768 7.220 6.492 1.00 0.12 C ATOM 400 C PHE A 56 3.366 8.342 5.676 1.00 0.13 C ATOM 401 O PHE A 56 4.490 8.747 5.909 1.00 0.17 O ATOM 402 CB PHE A 56 2.915 5.918 5.707 1.00 0.13 C ATOM 403 CG PHE A 56 4.349 5.600 5.392 1.00 0.16 C ATOM 404 CD1 PHE A 56 5.137 4.918 6.304 1.00 0.23 C ATOM 405 CD2 PHE A 56 4.920 6.013 4.199 1.00 0.20 C ATOM 406 CE1 PHE A 56 6.466 4.656 6.033 1.00 0.28 C ATOM 407 CE2 PHE A 56 6.246 5.751 3.921 1.00 0.26 C ATOM 408 CZ PHE A 56 7.022 5.072 4.840 1.00 0.28 C ATOM 0 H PHE A 56 0.687 6.976 6.299 1.00 0.15 H new ATOM 0 HA PHE A 56 3.297 7.117 7.439 1.00 0.12 H new ATOM 0 HB2 PHE A 56 2.482 5.099 6.281 1.00 0.13 H new ATOM 0 HB3 PHE A 56 2.349 5.991 4.778 1.00 0.13 H new ATOM 0 HD1 PHE A 56 4.707 4.587 7.238 1.00 0.23 H new ATOM 0 HD2 PHE A 56 4.320 6.547 3.477 1.00 0.20 H new ATOM 0 HE1 PHE A 56 7.070 4.126 6.754 1.00 0.28 H new ATOM 0 HE2 PHE A 56 6.677 6.077 2.986 1.00 0.26 H new ATOM 0 HZ PHE A 56 8.061 4.867 4.626 1.00 0.28 H new ATOM 418 N THR A 57 2.596 8.845 4.733 1.00 0.16 N ATOM 419 CA THR A 57 3.071 9.891 3.828 1.00 0.24 C ATOM 420 C THR A 57 3.504 11.138 4.614 1.00 0.26 C ATOM 421 O THR A 57 4.326 11.935 4.154 1.00 0.35 O ATOM 422 CB THR A 57 1.976 10.273 2.823 1.00 0.32 C ATOM 423 OG1 THR A 57 1.450 9.088 2.201 1.00 0.39 O ATOM 424 CG2 THR A 57 2.518 11.208 1.750 1.00 0.46 C ATOM 0 H THR A 57 1.634 8.550 4.567 1.00 0.16 H new ATOM 0 HA THR A 57 3.932 9.498 3.287 1.00 0.24 H new ATOM 0 HB THR A 57 1.184 10.790 3.366 1.00 0.32 H new ATOM 0 HG1 THR A 57 0.721 8.728 2.748 1.00 0.39 H new ATOM 0 HG21 THR A 57 1.720 11.462 1.052 1.00 0.46 H new ATOM 0 HG22 THR A 57 2.895 12.118 2.217 1.00 0.46 H new ATOM 0 HG23 THR A 57 3.327 10.714 1.212 1.00 0.46 H new ATOM 432 N LYS A 58 2.969 11.268 5.820 1.00 0.24 N ATOM 433 CA LYS A 58 3.311 12.380 6.697 1.00 0.31 C ATOM 434 C LYS A 58 4.655 12.123 7.375 1.00 0.29 C ATOM 435 O LYS A 58 5.473 13.031 7.522 1.00 0.31 O ATOM 436 CB LYS A 58 2.224 12.605 7.749 1.00 0.39 C ATOM 437 CG LYS A 58 2.420 13.869 8.567 1.00 0.50 C ATOM 438 CD LYS A 58 2.490 15.100 7.677 1.00 1.34 C ATOM 439 CE LYS A 58 2.593 16.374 8.496 1.00 1.93 C ATOM 440 NZ LYS A 58 3.778 16.371 9.394 1.00 2.52 N ATOM 0 H LYS A 58 2.293 10.614 6.215 1.00 0.24 H new ATOM 0 HA LYS A 58 3.386 13.281 6.088 1.00 0.31 H new ATOM 0 HB2 LYS A 58 1.254 12.650 7.253 1.00 0.39 H new ATOM 0 HB3 LYS A 58 2.198 11.748 8.422 1.00 0.39 H new ATOM 0 HG2 LYS A 58 1.599 13.977 9.276 1.00 0.50 H new ATOM 0 HG3 LYS A 58 3.337 13.788 9.151 1.00 0.50 H new ATOM 0 HD2 LYS A 58 3.351 15.022 7.014 1.00 1.34 H new ATOM 0 HD3 LYS A 58 1.603 15.144 7.044 1.00 1.34 H new ATOM 0 HE2 LYS A 58 2.650 17.231 7.825 1.00 1.93 H new ATOM 0 HE3 LYS A 58 1.688 16.495 9.092 1.00 1.93 H new ATOM 0 HZ1 LYS A 58 3.904 17.318 9.805 1.00 2.52 H new ATOM 0 HZ2 LYS A 58 3.634 15.679 10.157 1.00 2.52 H new ATOM 0 HZ3 LYS A 58 4.626 16.114 8.849 1.00 2.52 H new ATOM 454 N GLU A 59 4.883 10.876 7.777 1.00 0.26 N ATOM 455 CA GLU A 59 6.132 10.509 8.428 1.00 0.25 C ATOM 456 C GLU A 59 7.196 10.241 7.373 1.00 0.21 C ATOM 457 O GLU A 59 8.388 10.319 7.638 1.00 0.24 O ATOM 458 CB GLU A 59 5.950 9.283 9.327 1.00 0.31 C ATOM 459 CG GLU A 59 6.488 7.997 8.736 1.00 0.43 C ATOM 460 CD GLU A 59 6.452 6.855 9.729 1.00 0.76 C ATOM 461 OE1 GLU A 59 7.310 6.819 10.632 1.00 0.98 O ATOM 462 OE2 GLU A 59 5.582 5.966 9.594 1.00 0.97 O ATOM 0 H GLU A 59 4.222 10.108 7.663 1.00 0.26 H new ATOM 0 HA GLU A 59 6.450 11.338 9.061 1.00 0.25 H new ATOM 0 HB2 GLU A 59 6.446 9.468 10.280 1.00 0.31 H new ATOM 0 HB3 GLU A 59 4.888 9.156 9.540 1.00 0.31 H new ATOM 0 HG2 GLU A 59 5.903 7.730 7.856 1.00 0.43 H new ATOM 0 HG3 GLU A 59 7.513 8.154 8.401 1.00 0.43 H new ATOM 469 N GLN A 60 6.748 9.919 6.174 1.00 0.19 N ATOM 470 CA GLN A 60 7.632 9.752 5.041 1.00 0.19 C ATOM 471 C GLN A 60 8.473 11.007 4.907 1.00 0.22 C ATOM 472 O GLN A 60 9.677 10.950 4.713 1.00 0.23 O ATOM 473 CB GLN A 60 6.796 9.522 3.786 1.00 0.21 C ATOM 474 CG GLN A 60 7.495 8.748 2.691 1.00 0.28 C ATOM 475 CD GLN A 60 6.534 8.319 1.603 1.00 0.40 C ATOM 476 OE1 GLN A 60 5.345 8.116 1.849 1.00 0.90 O ATOM 477 NE2 GLN A 60 7.039 8.176 0.398 1.00 0.26 N ATOM 0 H GLN A 60 5.762 9.767 5.961 1.00 0.19 H new ATOM 0 HA GLN A 60 8.288 8.893 5.180 1.00 0.19 H new ATOM 0 HB2 GLN A 60 5.887 8.989 4.065 1.00 0.21 H new ATOM 0 HB3 GLN A 60 6.489 10.489 3.389 1.00 0.21 H new ATOM 0 HG2 GLN A 60 8.283 9.363 2.257 1.00 0.28 H new ATOM 0 HG3 GLN A 60 7.976 7.868 3.118 1.00 0.28 H new ATOM 0 HE21 GLN A 60 8.030 8.354 0.236 1.00 0.26 H new ATOM 0 HE22 GLN A 60 6.440 7.887 -0.375 1.00 0.26 H new ATOM 486 N GLN A 61 7.811 12.138 5.078 1.00 0.28 N ATOM 487 CA GLN A 61 8.481 13.434 5.118 1.00 0.34 C ATOM 488 C GLN A 61 9.496 13.475 6.268 1.00 0.34 C ATOM 489 O GLN A 61 10.609 13.983 6.119 1.00 0.37 O ATOM 490 CB GLN A 61 7.456 14.546 5.339 1.00 0.45 C ATOM 491 CG GLN A 61 6.228 14.458 4.448 1.00 0.58 C ATOM 492 CD GLN A 61 6.556 14.439 2.968 1.00 0.77 C ATOM 493 OE1 GLN A 61 7.549 15.016 2.526 1.00 1.23 O ATOM 494 NE2 GLN A 61 5.719 13.769 2.192 1.00 1.12 N ATOM 0 H GLN A 61 6.799 12.188 5.193 1.00 0.28 H new ATOM 0 HA GLN A 61 8.994 13.581 4.168 1.00 0.34 H new ATOM 0 HB2 GLN A 61 7.136 14.526 6.381 1.00 0.45 H new ATOM 0 HB3 GLN A 61 7.941 15.508 5.174 1.00 0.45 H new ATOM 0 HG2 GLN A 61 5.670 13.556 4.700 1.00 0.58 H new ATOM 0 HG3 GLN A 61 5.576 15.306 4.657 1.00 0.58 H new ATOM 0 HE21 GLN A 61 4.907 13.305 2.599 1.00 1.12 H new ATOM 0 HE22 GLN A 61 5.886 13.717 1.187 1.00 1.12 H new ATOM 503 N ARG A 62 9.088 12.925 7.413 1.00 0.34 N ATOM 504 CA ARG A 62 9.885 12.939 8.640 1.00 0.39 C ATOM 505 C ARG A 62 11.217 12.231 8.449 1.00 0.36 C ATOM 506 O ARG A 62 12.280 12.806 8.680 1.00 0.41 O ATOM 507 CB ARG A 62 9.115 12.243 9.765 1.00 0.44 C ATOM 508 CG ARG A 62 9.004 13.048 11.062 1.00 0.58 C ATOM 509 CD ARG A 62 10.359 13.341 11.705 1.00 1.13 C ATOM 510 NE ARG A 62 11.144 14.321 10.947 1.00 1.93 N ATOM 511 CZ ARG A 62 12.298 14.844 11.357 1.00 2.74 C ATOM 512 NH1 ARG A 62 12.759 14.596 12.577 1.00 2.99 N ATOM 513 NH2 ARG A 62 12.968 15.658 10.551 1.00 3.73 N ATOM 0 H ARG A 62 8.189 12.454 7.515 1.00 0.34 H new ATOM 0 HA ARG A 62 10.077 13.981 8.897 1.00 0.39 H new ATOM 0 HB2 ARG A 62 8.110 12.013 9.410 1.00 0.44 H new ATOM 0 HB3 ARG A 62 9.601 11.292 9.985 1.00 0.44 H new ATOM 0 HG2 ARG A 62 8.496 13.990 10.855 1.00 0.58 H new ATOM 0 HG3 ARG A 62 8.383 12.500 11.771 1.00 0.58 H new ATOM 0 HD2 ARG A 62 10.203 13.711 12.718 1.00 1.13 H new ATOM 0 HD3 ARG A 62 10.926 12.414 11.788 1.00 1.13 H new ATOM 0 HE ARG A 62 10.781 14.623 10.043 1.00 1.93 H new ATOM 0 HH11 ARG A 62 12.228 13.999 13.211 1.00 2.99 H new ATOM 0 HH12 ARG A 62 13.644 15.002 12.880 1.00 2.99 H new ATOM 0 HH21 ARG A 62 12.598 15.878 9.626 1.00 3.73 H new ATOM 0 HH22 ARG A 62 13.853 16.063 10.856 1.00 3.73 H new ATOM 527 N LEU A 63 11.152 10.985 8.016 1.00 0.30 N ATOM 528 CA LEU A 63 12.333 10.170 7.848 1.00 0.32 C ATOM 529 C LEU A 63 13.044 10.517 6.562 1.00 0.31 C ATOM 530 O LEU A 63 13.951 9.809 6.126 1.00 0.37 O ATOM 531 CB LEU A 63 11.945 8.698 7.882 1.00 0.33 C ATOM 532 CG LEU A 63 11.376 8.194 9.212 1.00 0.40 C ATOM 533 CD1 LEU A 63 12.311 8.506 10.365 1.00 1.01 C ATOM 534 CD2 LEU A 63 9.985 8.728 9.481 1.00 0.65 C ATOM 0 H LEU A 63 10.280 10.514 7.773 1.00 0.30 H new ATOM 0 HA LEU A 63 13.024 10.369 8.667 1.00 0.32 H new ATOM 0 HB2 LEU A 63 11.208 8.517 7.100 1.00 0.33 H new ATOM 0 HB3 LEU A 63 12.824 8.103 7.635 1.00 0.33 H new ATOM 0 HG LEU A 63 11.292 7.111 9.127 1.00 0.40 H new ATOM 0 HD11 LEU A 63 11.879 8.136 11.295 1.00 1.01 H new ATOM 0 HD12 LEU A 63 13.273 8.023 10.194 1.00 1.01 H new ATOM 0 HD13 LEU A 63 12.454 9.584 10.436 1.00 1.01 H new ATOM 0 HD21 LEU A 63 9.625 8.342 10.435 1.00 0.65 H new ATOM 0 HD22 LEU A 63 10.014 9.817 9.518 1.00 0.65 H new ATOM 0 HD23 LEU A 63 9.313 8.410 8.684 1.00 0.65 H new ATOM 546 N GLY A 64 12.626 11.624 5.969 1.00 0.28 N ATOM 547 CA GLY A 64 13.240 12.090 4.750 1.00 0.30 C ATOM 548 C GLY A 64 13.060 11.088 3.647 1.00 0.27 C ATOM 549 O GLY A 64 13.869 11.003 2.726 1.00 0.33 O ATOM 0 H GLY A 64 11.866 12.210 6.315 1.00 0.28 H new ATOM 0 HA2 GLY A 64 12.800 13.043 4.457 1.00 0.30 H new ATOM 0 HA3 GLY A 64 14.302 12.267 4.917 1.00 0.30 H new ATOM 553 N ILE A 65 11.988 10.323 3.751 1.00 0.22 N ATOM 554 CA ILE A 65 11.701 9.295 2.795 1.00 0.20 C ATOM 555 C ILE A 65 11.037 9.924 1.581 1.00 0.21 C ATOM 556 O ILE A 65 9.966 10.521 1.699 1.00 0.23 O ATOM 557 CB ILE A 65 10.772 8.203 3.374 1.00 0.18 C ATOM 558 CG1 ILE A 65 11.367 7.602 4.646 1.00 0.20 C ATOM 559 CG2 ILE A 65 10.535 7.110 2.341 1.00 0.19 C ATOM 560 CD1 ILE A 65 10.496 6.540 5.290 1.00 0.20 C ATOM 0 H ILE A 65 11.301 10.404 4.501 1.00 0.22 H new ATOM 0 HA ILE A 65 12.642 8.817 2.522 1.00 0.20 H new ATOM 0 HB ILE A 65 9.818 8.666 3.626 1.00 0.18 H new ATOM 0 HG12 ILE A 65 12.339 7.167 4.411 1.00 0.20 H new ATOM 0 HG13 ILE A 65 11.541 8.401 5.367 1.00 0.20 H new ATOM 0 HG21 ILE A 65 9.879 6.348 2.762 1.00 0.19 H new ATOM 0 HG22 ILE A 65 10.068 7.541 1.455 1.00 0.19 H new ATOM 0 HG23 ILE A 65 11.487 6.657 2.065 1.00 0.19 H new ATOM 0 HD11 ILE A 65 10.986 6.162 6.187 1.00 0.20 H new ATOM 0 HD12 ILE A 65 9.533 6.973 5.558 1.00 0.20 H new ATOM 0 HD13 ILE A 65 10.342 5.721 4.588 1.00 0.20 H new ATOM 572 N PRO A 66 11.683 9.841 0.417 1.00 0.24 N ATOM 573 CA PRO A 66 11.121 10.337 -0.840 1.00 0.27 C ATOM 574 C PRO A 66 9.684 9.856 -1.030 1.00 0.22 C ATOM 575 O PRO A 66 9.394 8.685 -0.814 1.00 0.23 O ATOM 576 CB PRO A 66 12.038 9.719 -1.907 1.00 0.35 C ATOM 577 CG PRO A 66 12.974 8.804 -1.184 1.00 0.26 C ATOM 578 CD PRO A 66 13.018 9.276 0.229 1.00 0.31 C ATOM 0 HA PRO A 66 11.080 11.425 -0.881 1.00 0.27 H new ATOM 0 HB2 PRO A 66 11.456 9.172 -2.649 1.00 0.35 H new ATOM 0 HB3 PRO A 66 12.588 10.493 -2.441 1.00 0.35 H new ATOM 0 HG2 PRO A 66 12.627 7.772 -1.238 1.00 0.26 H new ATOM 0 HG3 PRO A 66 13.967 8.830 -1.633 1.00 0.26 H new ATOM 0 HD2 PRO A 66 13.214 8.459 0.924 1.00 0.31 H new ATOM 0 HD3 PRO A 66 13.799 10.020 0.384 1.00 0.31 H new ATOM 586 N LYS A 67 8.779 10.764 -1.399 1.00 0.25 N ATOM 587 CA LYS A 67 7.358 10.417 -1.516 1.00 0.27 C ATOM 588 C LYS A 67 7.085 9.428 -2.649 1.00 0.25 C ATOM 589 O LYS A 67 6.047 8.770 -2.668 1.00 0.36 O ATOM 590 CB LYS A 67 6.461 11.664 -1.651 1.00 0.43 C ATOM 591 CG LYS A 67 6.985 12.778 -2.557 1.00 1.04 C ATOM 592 CD LYS A 67 7.212 12.330 -3.995 1.00 1.15 C ATOM 593 CE LYS A 67 5.967 11.716 -4.622 1.00 1.67 C ATOM 594 NZ LYS A 67 6.183 11.386 -6.058 1.00 2.42 N ATOM 0 H LYS A 67 8.999 11.735 -1.620 1.00 0.25 H new ATOM 0 HA LYS A 67 7.098 9.920 -0.581 1.00 0.27 H new ATOM 0 HB2 LYS A 67 5.488 11.347 -2.026 1.00 0.43 H new ATOM 0 HB3 LYS A 67 6.300 12.079 -0.656 1.00 0.43 H new ATOM 0 HG2 LYS A 67 6.276 13.606 -2.550 1.00 1.04 H new ATOM 0 HG3 LYS A 67 7.922 13.157 -2.150 1.00 1.04 H new ATOM 0 HD2 LYS A 67 7.531 13.185 -4.592 1.00 1.15 H new ATOM 0 HD3 LYS A 67 8.024 11.603 -4.021 1.00 1.15 H new ATOM 0 HE2 LYS A 67 5.692 10.812 -4.078 1.00 1.67 H new ATOM 0 HE3 LYS A 67 5.132 12.410 -4.529 1.00 1.67 H new ATOM 0 HZ1 LYS A 67 5.341 11.655 -6.606 1.00 2.42 H new ATOM 0 HZ2 LYS A 67 7.009 11.908 -6.414 1.00 2.42 H new ATOM 0 HZ3 LYS A 67 6.349 10.364 -6.158 1.00 2.42 H new ATOM 608 N ASP A 68 8.008 9.330 -3.590 1.00 0.28 N ATOM 609 CA ASP A 68 7.871 8.383 -4.684 1.00 0.28 C ATOM 610 C ASP A 68 8.427 7.054 -4.213 1.00 0.21 C ATOM 611 O ASP A 68 9.242 7.031 -3.305 1.00 0.23 O ATOM 612 CB ASP A 68 8.624 8.896 -5.916 1.00 0.39 C ATOM 613 CG ASP A 68 8.185 8.234 -7.198 1.00 1.12 C ATOM 614 OD1 ASP A 68 7.123 8.611 -7.736 1.00 1.65 O ATOM 615 OD2 ASP A 68 8.893 7.325 -7.672 1.00 1.88 O ATOM 0 H ASP A 68 8.858 9.893 -3.619 1.00 0.28 H new ATOM 0 HA ASP A 68 6.826 8.263 -4.969 1.00 0.28 H new ATOM 0 HB2 ASP A 68 8.477 9.973 -6.002 1.00 0.39 H new ATOM 0 HB3 ASP A 68 9.692 8.730 -5.776 1.00 0.39 H new ATOM 620 N PRO A 69 7.959 5.925 -4.744 1.00 0.19 N ATOM 621 CA PRO A 69 8.440 4.622 -4.328 1.00 0.20 C ATOM 622 C PRO A 69 9.428 3.979 -5.302 1.00 0.26 C ATOM 623 O PRO A 69 9.734 2.804 -5.174 1.00 0.65 O ATOM 624 CB PRO A 69 7.138 3.844 -4.307 1.00 0.40 C ATOM 625 CG PRO A 69 6.358 4.388 -5.466 1.00 0.37 C ATOM 626 CD PRO A 69 6.861 5.791 -5.712 1.00 0.22 C ATOM 0 HA PRO A 69 8.999 4.658 -3.393 1.00 0.20 H new ATOM 0 HB2 PRO A 69 7.313 2.774 -4.414 1.00 0.40 H new ATOM 0 HB3 PRO A 69 6.605 3.987 -3.367 1.00 0.40 H new ATOM 0 HG2 PRO A 69 6.497 3.767 -6.351 1.00 0.37 H new ATOM 0 HG3 PRO A 69 5.291 4.393 -5.245 1.00 0.37 H new ATOM 0 HD2 PRO A 69 7.209 5.921 -6.737 1.00 0.22 H new ATOM 0 HD3 PRO A 69 6.082 6.534 -5.543 1.00 0.22 H new ATOM 634 N ARG A 70 9.913 4.740 -6.277 1.00 0.20 N ATOM 635 CA ARG A 70 10.818 4.199 -7.299 1.00 0.26 C ATOM 636 C ARG A 70 12.292 4.459 -6.979 1.00 0.19 C ATOM 637 O ARG A 70 13.171 4.178 -7.793 1.00 0.27 O ATOM 638 CB ARG A 70 10.483 4.774 -8.680 1.00 0.46 C ATOM 639 CG ARG A 70 9.386 4.019 -9.417 1.00 0.96 C ATOM 640 CD ARG A 70 8.016 4.192 -8.773 1.00 0.87 C ATOM 641 NE ARG A 70 7.504 5.545 -8.957 1.00 1.06 N ATOM 642 CZ ARG A 70 6.464 5.866 -9.721 1.00 1.29 C ATOM 643 NH1 ARG A 70 5.834 4.938 -10.434 1.00 1.89 N ATOM 644 NH2 ARG A 70 6.062 7.128 -9.773 1.00 1.79 N ATOM 0 H ARG A 70 9.699 5.731 -6.386 1.00 0.20 H new ATOM 0 HA ARG A 70 10.667 3.120 -7.304 1.00 0.26 H new ATOM 0 HB2 ARG A 70 10.179 5.814 -8.565 1.00 0.46 H new ATOM 0 HB3 ARG A 70 11.385 4.771 -9.292 1.00 0.46 H new ATOM 0 HG2 ARG A 70 9.343 4.365 -10.450 1.00 0.96 H new ATOM 0 HG3 ARG A 70 9.637 2.959 -9.446 1.00 0.96 H new ATOM 0 HD2 ARG A 70 7.317 3.476 -9.205 1.00 0.87 H new ATOM 0 HD3 ARG A 70 8.083 3.969 -7.708 1.00 0.87 H new ATOM 0 HE ARG A 70 7.979 6.301 -8.463 1.00 1.06 H new ATOM 0 HH11 ARG A 70 6.147 3.968 -10.399 1.00 1.89 H new ATOM 0 HH12 ARG A 70 5.037 5.196 -11.016 1.00 1.89 H new ATOM 0 HH21 ARG A 70 6.549 7.841 -9.230 1.00 1.79 H new ATOM 0 HH22 ARG A 70 5.265 7.386 -10.356 1.00 1.79 H new ATOM 658 N GLN A 71 12.559 4.986 -5.797 1.00 0.16 N ATOM 659 CA GLN A 71 13.931 5.325 -5.406 1.00 0.16 C ATOM 660 C GLN A 71 14.190 5.018 -3.929 1.00 0.15 C ATOM 661 O GLN A 71 15.148 5.514 -3.335 1.00 0.18 O ATOM 662 CB GLN A 71 14.209 6.810 -5.677 1.00 0.20 C ATOM 663 CG GLN A 71 13.629 7.738 -4.623 1.00 0.38 C ATOM 664 CD GLN A 71 12.129 7.619 -4.518 1.00 0.26 C ATOM 665 OE1 GLN A 71 11.668 6.617 -3.774 1.00 0.89 O flip ATOM 666 NE2 GLN A 71 11.396 8.382 -5.132 1.00 0.29 N flip ATOM 0 H GLN A 71 11.854 5.191 -5.089 1.00 0.16 H new ATOM 0 HA GLN A 71 14.603 4.710 -6.005 1.00 0.16 H new ATOM 0 HB2 GLN A 71 15.286 6.965 -5.733 1.00 0.20 H new ATOM 0 HB3 GLN A 71 13.797 7.077 -6.650 1.00 0.20 H new ATOM 0 HG2 GLN A 71 14.078 7.511 -3.656 1.00 0.38 H new ATOM 0 HG3 GLN A 71 13.894 8.768 -4.864 1.00 0.38 H new ATOM 0 HE21 GLN A 71 11.797 9.136 -5.690 1.00 0.29 H new ATOM 0 HE22 GLN A 71 10.384 8.264 -5.086 1.00 0.29 H new ATOM 675 N TRP A 72 13.342 4.189 -3.344 1.00 0.12 N ATOM 676 CA TRP A 72 13.406 3.890 -1.925 1.00 0.11 C ATOM 677 C TRP A 72 14.512 2.897 -1.600 1.00 0.12 C ATOM 678 O TRP A 72 14.980 2.160 -2.457 1.00 0.14 O ATOM 679 CB TRP A 72 12.069 3.272 -1.501 1.00 0.11 C ATOM 680 CG TRP A 72 11.024 4.259 -1.122 1.00 0.09 C ATOM 681 CD1 TRP A 72 11.175 5.598 -0.944 1.00 0.10 C ATOM 682 CD2 TRP A 72 9.655 3.967 -0.854 1.00 0.08 C ATOM 683 NE1 TRP A 72 9.976 6.156 -0.593 1.00 0.10 N ATOM 684 CE2 TRP A 72 9.026 5.177 -0.530 1.00 0.08 C ATOM 685 CE3 TRP A 72 8.899 2.801 -0.861 1.00 0.09 C ATOM 686 CZ2 TRP A 72 7.671 5.251 -0.218 1.00 0.09 C ATOM 687 CZ3 TRP A 72 7.560 2.873 -0.552 1.00 0.10 C ATOM 688 CH2 TRP A 72 6.959 4.090 -0.234 1.00 0.10 C ATOM 0 H TRP A 72 12.592 3.706 -3.838 1.00 0.12 H new ATOM 0 HA TRP A 72 13.613 4.818 -1.393 1.00 0.11 H new ATOM 0 HB2 TRP A 72 11.691 2.659 -2.319 1.00 0.11 H new ATOM 0 HB3 TRP A 72 12.243 2.605 -0.657 1.00 0.11 H new ATOM 0 HD1 TRP A 72 12.102 6.140 -1.062 1.00 0.10 H new ATOM 0 HE1 TRP A 72 9.817 7.146 -0.408 1.00 0.10 H new ATOM 0 HE3 TRP A 72 9.355 1.853 -1.105 1.00 0.09 H new ATOM 0 HZ2 TRP A 72 7.203 6.193 0.027 1.00 0.09 H new ATOM 0 HZ3 TRP A 72 6.965 1.972 -0.556 1.00 0.10 H new ATOM 0 HH2 TRP A 72 5.906 4.113 0.005 1.00 0.10 H new ATOM 699 N THR A 73 14.973 2.931 -0.366 1.00 0.14 N ATOM 700 CA THR A 73 15.823 1.882 0.146 1.00 0.15 C ATOM 701 C THR A 73 14.951 0.762 0.701 1.00 0.15 C ATOM 702 O THR A 73 13.739 0.951 0.845 1.00 0.16 O ATOM 703 CB THR A 73 16.753 2.417 1.252 1.00 0.18 C ATOM 704 OG1 THR A 73 15.976 2.945 2.336 1.00 0.19 O ATOM 705 CG2 THR A 73 17.663 3.510 0.716 1.00 0.21 C ATOM 0 H THR A 73 14.771 3.677 0.300 1.00 0.14 H new ATOM 0 HA THR A 73 16.445 1.504 -0.666 1.00 0.15 H new ATOM 0 HB THR A 73 17.366 1.587 1.605 1.00 0.18 H new ATOM 0 HG1 THR A 73 15.750 3.881 2.151 1.00 0.19 H new ATOM 0 HG21 THR A 73 18.309 3.870 1.516 1.00 0.21 H new ATOM 0 HG22 THR A 73 18.275 3.110 -0.092 1.00 0.21 H new ATOM 0 HG23 THR A 73 17.058 4.335 0.339 1.00 0.21 H new ATOM 713 N GLU A 74 15.547 -0.385 1.008 1.00 0.17 N ATOM 714 CA GLU A 74 14.806 -1.514 1.563 1.00 0.20 C ATOM 715 C GLU A 74 13.972 -1.070 2.759 1.00 0.19 C ATOM 716 O GLU A 74 12.775 -1.350 2.838 1.00 0.28 O ATOM 717 CB GLU A 74 15.769 -2.625 1.986 1.00 0.29 C ATOM 718 CG GLU A 74 16.650 -3.134 0.856 1.00 1.25 C ATOM 719 CD GLU A 74 17.689 -4.136 1.324 1.00 1.79 C ATOM 720 OE1 GLU A 74 18.718 -3.713 1.892 1.00 1.99 O ATOM 721 OE2 GLU A 74 17.491 -5.349 1.116 1.00 2.67 O ATOM 0 H GLU A 74 16.544 -0.559 0.882 1.00 0.17 H new ATOM 0 HA GLU A 74 14.138 -1.897 0.792 1.00 0.20 H new ATOM 0 HB2 GLU A 74 16.404 -2.256 2.792 1.00 0.29 H new ATOM 0 HB3 GLU A 74 15.194 -3.458 2.390 1.00 0.29 H new ATOM 0 HG2 GLU A 74 16.023 -3.597 0.094 1.00 1.25 H new ATOM 0 HG3 GLU A 74 17.153 -2.289 0.385 1.00 1.25 H new ATOM 728 N THR A 75 14.608 -0.344 3.669 1.00 0.18 N ATOM 729 CA THR A 75 13.953 0.145 4.871 1.00 0.21 C ATOM 730 C THR A 75 12.783 1.081 4.553 1.00 0.17 C ATOM 731 O THR A 75 11.787 1.100 5.267 1.00 0.20 O ATOM 732 CB THR A 75 14.968 0.880 5.760 1.00 0.29 C ATOM 733 OG1 THR A 75 16.148 0.076 5.892 1.00 0.47 O ATOM 734 CG2 THR A 75 14.390 1.164 7.136 1.00 0.47 C ATOM 0 H THR A 75 15.590 -0.079 3.593 1.00 0.18 H new ATOM 0 HA THR A 75 13.553 -0.722 5.396 1.00 0.21 H new ATOM 0 HB THR A 75 15.212 1.833 5.291 1.00 0.29 H new ATOM 0 HG1 THR A 75 16.799 0.541 6.457 1.00 0.47 H new ATOM 0 HG21 THR A 75 15.132 1.685 7.742 1.00 0.47 H new ATOM 0 HG22 THR A 75 13.501 1.787 7.036 1.00 0.47 H new ATOM 0 HG23 THR A 75 14.122 0.224 7.619 1.00 0.47 H new ATOM 742 N HIS A 76 12.893 1.837 3.463 1.00 0.14 N ATOM 743 CA HIS A 76 11.845 2.788 3.092 1.00 0.12 C ATOM 744 C HIS A 76 10.630 2.041 2.557 1.00 0.10 C ATOM 745 O HIS A 76 9.490 2.323 2.934 1.00 0.10 O ATOM 746 CB HIS A 76 12.355 3.795 2.055 1.00 0.14 C ATOM 747 CG HIS A 76 13.319 4.800 2.610 1.00 0.15 C ATOM 748 ND1 HIS A 76 14.165 5.557 1.826 1.00 0.20 N ATOM 749 CD2 HIS A 76 13.560 5.178 3.887 1.00 0.16 C ATOM 750 CE1 HIS A 76 14.885 6.349 2.595 1.00 0.22 C ATOM 751 NE2 HIS A 76 14.539 6.138 3.849 1.00 0.19 N ATOM 0 H HIS A 76 13.689 1.811 2.826 1.00 0.14 H new ATOM 0 HA HIS A 76 11.555 3.345 3.983 1.00 0.12 H new ATOM 0 HB2 HIS A 76 12.838 3.252 1.242 1.00 0.14 H new ATOM 0 HB3 HIS A 76 11.503 4.322 1.624 1.00 0.14 H new ATOM 0 HD2 HIS A 76 13.072 4.795 4.771 1.00 0.16 H new ATOM 0 HE1 HIS A 76 15.632 7.052 2.255 1.00 0.22 H new ATOM 0 HE2 HIS A 76 14.935 6.612 4.661 1.00 0.19 H new ATOM 760 N VAL A 77 10.896 1.070 1.694 1.00 0.09 N ATOM 761 CA VAL A 77 9.862 0.248 1.118 1.00 0.07 C ATOM 762 C VAL A 77 9.174 -0.555 2.215 1.00 0.08 C ATOM 763 O VAL A 77 7.959 -0.496 2.356 1.00 0.08 O ATOM 764 CB VAL A 77 10.438 -0.697 0.038 1.00 0.08 C ATOM 765 CG1 VAL A 77 9.393 -1.704 -0.408 1.00 0.09 C ATOM 766 CG2 VAL A 77 10.957 0.106 -1.157 1.00 0.08 C ATOM 0 H VAL A 77 11.838 0.837 1.379 1.00 0.09 H new ATOM 0 HA VAL A 77 9.131 0.898 0.636 1.00 0.07 H new ATOM 0 HB VAL A 77 11.274 -1.244 0.474 1.00 0.08 H new ATOM 0 HG11 VAL A 77 9.820 -2.359 -1.168 1.00 0.09 H new ATOM 0 HG12 VAL A 77 9.074 -2.300 0.447 1.00 0.09 H new ATOM 0 HG13 VAL A 77 8.534 -1.177 -0.824 1.00 0.09 H new ATOM 0 HG21 VAL A 77 11.359 -0.576 -1.907 1.00 0.08 H new ATOM 0 HG22 VAL A 77 10.140 0.682 -1.591 1.00 0.08 H new ATOM 0 HG23 VAL A 77 11.743 0.785 -0.826 1.00 0.08 H new ATOM 776 N ARG A 78 9.968 -1.262 3.022 1.00 0.09 N ATOM 777 CA ARG A 78 9.426 -2.097 4.095 1.00 0.11 C ATOM 778 C ARG A 78 8.646 -1.266 5.109 1.00 0.10 C ATOM 779 O ARG A 78 7.669 -1.746 5.681 1.00 0.14 O ATOM 780 CB ARG A 78 10.527 -2.876 4.819 1.00 0.18 C ATOM 781 CG ARG A 78 11.225 -3.919 3.960 1.00 0.37 C ATOM 782 CD ARG A 78 11.980 -4.926 4.819 1.00 0.40 C ATOM 783 NE ARG A 78 12.939 -4.288 5.725 1.00 1.11 N ATOM 784 CZ ARG A 78 14.070 -4.863 6.141 1.00 1.43 C ATOM 785 NH1 ARG A 78 14.439 -6.045 5.665 1.00 1.57 N ATOM 786 NH2 ARG A 78 14.844 -4.247 7.027 1.00 2.21 N ATOM 0 H ARG A 78 10.986 -1.273 2.953 1.00 0.09 H new ATOM 0 HA ARG A 78 8.749 -2.807 3.621 1.00 0.11 H new ATOM 0 HB2 ARG A 78 11.271 -2.171 5.190 1.00 0.18 H new ATOM 0 HB3 ARG A 78 10.094 -3.370 5.689 1.00 0.18 H new ATOM 0 HG2 ARG A 78 10.490 -4.440 3.347 1.00 0.37 H new ATOM 0 HG3 ARG A 78 11.918 -3.427 3.278 1.00 0.37 H new ATOM 0 HD2 ARG A 78 11.266 -5.507 5.403 1.00 0.40 H new ATOM 0 HD3 ARG A 78 12.508 -5.626 4.172 1.00 0.40 H new ATOM 0 HE ARG A 78 12.730 -3.347 6.058 1.00 1.11 H new ATOM 0 HH11 ARG A 78 13.857 -6.521 4.976 1.00 1.57 H new ATOM 0 HH12 ARG A 78 15.305 -6.477 5.988 1.00 1.57 H new ATOM 0 HH21 ARG A 78 14.575 -3.333 7.391 1.00 2.21 H new ATOM 0 HH22 ARG A 78 15.708 -4.688 7.344 1.00 2.21 H new ATOM 800 N ASP A 79 9.075 -0.023 5.319 1.00 0.11 N ATOM 801 CA ASP A 79 8.391 0.879 6.247 1.00 0.12 C ATOM 802 C ASP A 79 6.965 1.097 5.785 1.00 0.11 C ATOM 803 O ASP A 79 6.002 0.908 6.533 1.00 0.12 O ATOM 804 CB ASP A 79 9.096 2.232 6.313 1.00 0.16 C ATOM 805 CG ASP A 79 9.257 2.721 7.739 1.00 0.57 C ATOM 806 OD1 ASP A 79 8.266 3.184 8.341 1.00 1.05 O ATOM 807 OD2 ASP A 79 10.385 2.630 8.273 1.00 0.95 O ATOM 0 H ASP A 79 9.891 0.383 4.861 1.00 0.11 H new ATOM 0 HA ASP A 79 8.405 0.422 7.236 1.00 0.12 H new ATOM 0 HB2 ASP A 79 10.077 2.153 5.844 1.00 0.16 H new ATOM 0 HB3 ASP A 79 8.528 2.965 5.741 1.00 0.16 H new ATOM 812 N TRP A 80 6.840 1.433 4.513 1.00 0.10 N ATOM 813 CA TRP A 80 5.558 1.725 3.920 1.00 0.09 C ATOM 814 C TRP A 80 4.783 0.428 3.736 1.00 0.09 C ATOM 815 O TRP A 80 3.551 0.395 3.821 1.00 0.09 O ATOM 816 CB TRP A 80 5.814 2.421 2.588 1.00 0.09 C ATOM 817 CG TRP A 80 4.746 2.235 1.572 1.00 0.09 C ATOM 818 CD1 TRP A 80 3.639 2.997 1.391 1.00 0.10 C ATOM 819 CD2 TRP A 80 4.711 1.216 0.576 1.00 0.09 C ATOM 820 NE1 TRP A 80 2.916 2.515 0.331 1.00 0.10 N ATOM 821 CE2 TRP A 80 3.556 1.422 -0.185 1.00 0.09 C ATOM 822 CE3 TRP A 80 5.550 0.149 0.258 1.00 0.10 C ATOM 823 CZ2 TRP A 80 3.218 0.602 -1.253 1.00 0.09 C ATOM 824 CZ3 TRP A 80 5.212 -0.665 -0.798 1.00 0.11 C ATOM 825 CH2 TRP A 80 4.057 -0.434 -1.546 1.00 0.10 C ATOM 0 H TRP A 80 7.626 1.509 3.868 1.00 0.10 H new ATOM 0 HA TRP A 80 4.961 2.378 4.557 1.00 0.09 H new ATOM 0 HB2 TRP A 80 5.941 3.488 2.770 1.00 0.09 H new ATOM 0 HB3 TRP A 80 6.755 2.054 2.177 1.00 0.09 H new ATOM 0 HD1 TRP A 80 3.368 3.853 1.991 1.00 0.10 H new ATOM 0 HE1 TRP A 80 2.041 2.908 -0.017 1.00 0.10 H new ATOM 0 HE3 TRP A 80 6.448 -0.035 0.830 1.00 0.10 H new ATOM 0 HZ2 TRP A 80 2.323 0.778 -1.831 1.00 0.09 H new ATOM 0 HZ3 TRP A 80 5.852 -1.497 -1.053 1.00 0.11 H new ATOM 0 HH2 TRP A 80 3.822 -1.088 -2.373 1.00 0.10 H new ATOM 836 N VAL A 81 5.545 -0.633 3.523 1.00 0.10 N ATOM 837 CA VAL A 81 5.021 -1.970 3.330 1.00 0.11 C ATOM 838 C VAL A 81 4.264 -2.414 4.574 1.00 0.11 C ATOM 839 O VAL A 81 3.077 -2.730 4.527 1.00 0.11 O ATOM 840 CB VAL A 81 6.189 -2.944 2.999 1.00 0.13 C ATOM 841 CG1 VAL A 81 5.955 -4.350 3.523 1.00 0.14 C ATOM 842 CG2 VAL A 81 6.430 -2.986 1.499 1.00 0.14 C ATOM 0 H VAL A 81 6.563 -0.585 3.479 1.00 0.10 H new ATOM 0 HA VAL A 81 4.323 -1.976 2.493 1.00 0.11 H new ATOM 0 HB VAL A 81 7.072 -2.556 3.507 1.00 0.13 H new ATOM 0 HG11 VAL A 81 6.804 -4.982 3.261 1.00 0.14 H new ATOM 0 HG12 VAL A 81 5.846 -4.321 4.607 1.00 0.14 H new ATOM 0 HG13 VAL A 81 5.048 -4.758 3.078 1.00 0.14 H new ATOM 0 HG21 VAL A 81 7.249 -3.671 1.281 1.00 0.14 H new ATOM 0 HG22 VAL A 81 5.527 -3.329 0.995 1.00 0.14 H new ATOM 0 HG23 VAL A 81 6.687 -1.988 1.144 1.00 0.14 H new ATOM 852 N MET A 82 4.951 -2.405 5.692 1.00 0.11 N ATOM 853 CA MET A 82 4.335 -2.782 6.942 1.00 0.12 C ATOM 854 C MET A 82 3.355 -1.727 7.441 1.00 0.11 C ATOM 855 O MET A 82 2.563 -2.020 8.314 1.00 0.12 O ATOM 856 CB MET A 82 5.381 -3.093 8.004 1.00 0.15 C ATOM 857 CG MET A 82 6.235 -1.906 8.407 1.00 0.13 C ATOM 858 SD MET A 82 7.557 -2.364 9.545 1.00 0.49 S ATOM 859 CE MET A 82 6.628 -3.268 10.784 1.00 0.42 C ATOM 0 H MET A 82 5.934 -2.142 5.762 1.00 0.11 H new ATOM 0 HA MET A 82 3.764 -3.690 6.749 1.00 0.12 H new ATOM 0 HB2 MET A 82 4.878 -3.481 8.890 1.00 0.15 H new ATOM 0 HB3 MET A 82 6.032 -3.885 7.635 1.00 0.15 H new ATOM 0 HG2 MET A 82 6.668 -1.454 7.515 1.00 0.13 H new ATOM 0 HG3 MET A 82 5.604 -1.150 8.873 1.00 0.13 H new ATOM 0 HE1 MET A 82 7.085 -3.118 11.762 1.00 0.42 H new ATOM 0 HE2 MET A 82 5.600 -2.906 10.804 1.00 0.42 H new ATOM 0 HE3 MET A 82 6.634 -4.330 10.540 1.00 0.42 H new ATOM 869 N TRP A 83 3.395 -0.505 6.908 1.00 0.09 N ATOM 870 CA TRP A 83 2.482 0.532 7.387 1.00 0.09 C ATOM 871 C TRP A 83 1.043 0.260 6.956 1.00 0.09 C ATOM 872 O TRP A 83 0.139 0.244 7.785 1.00 0.11 O ATOM 873 CB TRP A 83 2.910 1.928 6.917 1.00 0.09 C ATOM 874 CG TRP A 83 1.916 2.983 7.273 1.00 0.10 C ATOM 875 CD1 TRP A 83 1.830 3.669 8.446 1.00 0.12 C ATOM 876 CD2 TRP A 83 0.857 3.466 6.443 1.00 0.11 C ATOM 877 NE1 TRP A 83 0.784 4.555 8.393 1.00 0.14 N ATOM 878 CE2 TRP A 83 0.172 4.446 7.174 1.00 0.13 C ATOM 879 CE3 TRP A 83 0.426 3.163 5.151 1.00 0.12 C ATOM 880 CZ2 TRP A 83 -0.919 5.126 6.656 1.00 0.15 C ATOM 881 CZ3 TRP A 83 -0.658 3.838 4.638 1.00 0.14 C ATOM 882 CH2 TRP A 83 -1.318 4.810 5.386 1.00 0.15 C ATOM 0 H TRP A 83 4.031 -0.214 6.165 1.00 0.09 H new ATOM 0 HA TRP A 83 2.529 0.505 8.476 1.00 0.09 H new ATOM 0 HB2 TRP A 83 3.874 2.177 7.361 1.00 0.09 H new ATOM 0 HB3 TRP A 83 3.051 1.916 5.836 1.00 0.09 H new ATOM 0 HD1 TRP A 83 2.488 3.535 9.292 1.00 0.12 H new ATOM 0 HE1 TRP A 83 0.507 5.191 9.141 1.00 0.14 H new ATOM 0 HE3 TRP A 83 0.934 2.412 4.564 1.00 0.12 H new ATOM 0 HZ2 TRP A 83 -1.435 5.878 7.234 1.00 0.15 H new ATOM 0 HZ3 TRP A 83 -1.002 3.611 3.640 1.00 0.14 H new ATOM 0 HH2 TRP A 83 -2.163 5.325 4.954 1.00 0.15 H new ATOM 893 N ALA A 84 0.808 0.058 5.671 1.00 0.09 N ATOM 894 CA ALA A 84 -0.546 -0.242 5.224 1.00 0.10 C ATOM 895 C ALA A 84 -0.985 -1.552 5.862 1.00 0.10 C ATOM 896 O ALA A 84 -2.127 -1.724 6.296 1.00 0.12 O ATOM 897 CB ALA A 84 -0.619 -0.310 3.704 1.00 0.12 C ATOM 0 H ALA A 84 1.513 0.094 4.935 1.00 0.09 H new ATOM 0 HA ALA A 84 -1.222 0.555 5.534 1.00 0.10 H new ATOM 0 HB1 ALA A 84 -1.641 -0.535 3.399 1.00 0.12 H new ATOM 0 HB2 ALA A 84 -0.317 0.649 3.282 1.00 0.12 H new ATOM 0 HB3 ALA A 84 0.049 -1.092 3.342 1.00 0.12 H new ATOM 903 N VAL A 85 -0.022 -2.444 5.955 1.00 0.10 N ATOM 904 CA VAL A 85 -0.173 -3.717 6.627 1.00 0.11 C ATOM 905 C VAL A 85 -0.549 -3.565 8.108 1.00 0.13 C ATOM 906 O VAL A 85 -1.525 -4.162 8.559 1.00 0.14 O ATOM 907 CB VAL A 85 1.137 -4.526 6.463 1.00 0.12 C ATOM 908 CG1 VAL A 85 1.330 -5.568 7.557 1.00 0.15 C ATOM 909 CG2 VAL A 85 1.162 -5.186 5.098 1.00 0.14 C ATOM 0 H VAL A 85 0.907 -2.302 5.558 1.00 0.10 H new ATOM 0 HA VAL A 85 -1.002 -4.253 6.164 1.00 0.11 H new ATOM 0 HB VAL A 85 1.965 -3.823 6.553 1.00 0.12 H new ATOM 0 HG11 VAL A 85 2.265 -6.103 7.389 1.00 0.15 H new ATOM 0 HG12 VAL A 85 1.364 -5.074 8.528 1.00 0.15 H new ATOM 0 HG13 VAL A 85 0.499 -6.274 7.538 1.00 0.15 H new ATOM 0 HG21 VAL A 85 2.085 -5.755 4.986 1.00 0.14 H new ATOM 0 HG22 VAL A 85 0.309 -5.857 5.003 1.00 0.14 H new ATOM 0 HG23 VAL A 85 1.110 -4.421 4.323 1.00 0.14 H new ATOM 919 N ASN A 86 0.197 -2.776 8.869 1.00 0.15 N ATOM 920 CA ASN A 86 -0.062 -2.671 10.300 1.00 0.19 C ATOM 921 C ASN A 86 -1.324 -1.869 10.596 1.00 0.23 C ATOM 922 O ASN A 86 -1.910 -1.999 11.668 1.00 0.27 O ATOM 923 CB ASN A 86 1.148 -2.157 11.102 1.00 0.23 C ATOM 924 CG ASN A 86 1.592 -0.732 10.800 1.00 0.34 C ATOM 925 OD1 ASN A 86 0.695 0.086 10.298 1.00 0.61 O flip ATOM 926 ND2 ASN A 86 2.759 -0.382 11.002 1.00 0.32 N flip ATOM 0 H ASN A 86 0.973 -2.208 8.529 1.00 0.15 H new ATOM 0 HA ASN A 86 -0.237 -3.690 10.645 1.00 0.19 H new ATOM 0 HB2 ASN A 86 0.911 -2.225 12.164 1.00 0.23 H new ATOM 0 HB3 ASN A 86 1.990 -2.825 10.920 1.00 0.23 H new ATOM 0 HD21 ASN A 86 3.429 -1.044 11.393 1.00 0.32 H new ATOM 0 HD22 ASN A 86 3.052 0.569 10.778 1.00 0.32 H new ATOM 933 N GLU A 87 -1.752 -1.055 9.636 1.00 0.24 N ATOM 934 CA GLU A 87 -2.968 -0.266 9.792 1.00 0.31 C ATOM 935 C GLU A 87 -4.147 -1.217 9.706 1.00 0.28 C ATOM 936 O GLU A 87 -5.124 -1.120 10.447 1.00 0.35 O ATOM 937 CB GLU A 87 -3.052 0.800 8.688 1.00 0.38 C ATOM 938 CG GLU A 87 -4.412 1.479 8.569 1.00 1.23 C ATOM 939 CD GLU A 87 -4.771 2.308 9.785 1.00 1.35 C ATOM 940 OE1 GLU A 87 -5.368 1.758 10.732 1.00 2.15 O ATOM 941 OE2 GLU A 87 -4.473 3.516 9.791 1.00 1.08 O ATOM 0 H GLU A 87 -1.275 -0.925 8.744 1.00 0.24 H new ATOM 0 HA GLU A 87 -2.971 0.250 10.752 1.00 0.31 H new ATOM 0 HB2 GLU A 87 -2.295 1.561 8.877 1.00 0.38 H new ATOM 0 HB3 GLU A 87 -2.806 0.336 7.733 1.00 0.38 H new ATOM 0 HG2 GLU A 87 -4.416 2.119 7.687 1.00 1.23 H new ATOM 0 HG3 GLU A 87 -5.178 0.719 8.415 1.00 1.23 H new ATOM 948 N PHE A 88 -4.001 -2.168 8.808 1.00 0.23 N ATOM 949 CA PHE A 88 -4.986 -3.208 8.607 1.00 0.23 C ATOM 950 C PHE A 88 -4.794 -4.361 9.588 1.00 0.25 C ATOM 951 O PHE A 88 -5.511 -5.360 9.531 1.00 0.30 O ATOM 952 CB PHE A 88 -4.873 -3.711 7.178 1.00 0.24 C ATOM 953 CG PHE A 88 -5.700 -2.923 6.210 1.00 0.28 C ATOM 954 CD1 PHE A 88 -7.027 -3.237 5.992 1.00 0.41 C ATOM 955 CD2 PHE A 88 -5.142 -1.864 5.514 1.00 0.42 C ATOM 956 CE1 PHE A 88 -7.780 -2.516 5.093 1.00 0.47 C ATOM 957 CE2 PHE A 88 -5.893 -1.137 4.613 1.00 0.50 C ATOM 958 CZ PHE A 88 -7.247 -1.461 4.434 1.00 0.45 C ATOM 0 H PHE A 88 -3.190 -2.241 8.193 1.00 0.23 H new ATOM 0 HA PHE A 88 -5.978 -2.794 8.786 1.00 0.23 H new ATOM 0 HB2 PHE A 88 -3.829 -3.675 6.868 1.00 0.24 H new ATOM 0 HB3 PHE A 88 -5.180 -4.756 7.142 1.00 0.24 H new ATOM 0 HD1 PHE A 88 -7.478 -4.056 6.532 1.00 0.41 H new ATOM 0 HD2 PHE A 88 -4.107 -1.604 5.678 1.00 0.42 H new ATOM 0 HE1 PHE A 88 -8.807 -2.795 4.912 1.00 0.47 H new ATOM 0 HE2 PHE A 88 -5.445 -0.329 4.053 1.00 0.50 H new ATOM 0 HZ PHE A 88 -7.862 -0.870 3.772 1.00 0.45 H new ATOM 968 N SER A 89 -3.831 -4.194 10.497 1.00 0.27 N ATOM 969 CA SER A 89 -3.449 -5.237 11.443 1.00 0.34 C ATOM 970 C SER A 89 -3.179 -6.558 10.723 1.00 0.36 C ATOM 971 O SER A 89 -3.516 -7.628 11.226 1.00 0.48 O ATOM 972 CB SER A 89 -4.538 -5.419 12.503 1.00 0.45 C ATOM 973 OG SER A 89 -4.777 -4.205 13.201 1.00 1.07 O ATOM 0 H SER A 89 -3.296 -3.331 10.596 1.00 0.27 H new ATOM 0 HA SER A 89 -2.528 -4.927 11.937 1.00 0.34 H new ATOM 0 HB2 SER A 89 -5.459 -5.757 12.029 1.00 0.45 H new ATOM 0 HB3 SER A 89 -4.239 -6.195 13.208 1.00 0.45 H new ATOM 0 HG SER A 89 -5.478 -4.346 13.872 1.00 1.07 H new ATOM 979 N LEU A 90 -2.553 -6.475 9.551 1.00 0.31 N ATOM 980 CA LEU A 90 -2.311 -7.650 8.731 1.00 0.40 C ATOM 981 C LEU A 90 -1.274 -8.529 9.403 1.00 0.59 C ATOM 982 O LEU A 90 -1.434 -9.747 9.475 1.00 1.23 O ATOM 983 CB LEU A 90 -1.862 -7.210 7.333 1.00 0.33 C ATOM 984 CG LEU A 90 -2.817 -6.214 6.670 1.00 0.24 C ATOM 985 CD1 LEU A 90 -2.332 -5.831 5.285 1.00 0.29 C ATOM 986 CD2 LEU A 90 -4.221 -6.806 6.596 1.00 0.27 C ATOM 0 H LEU A 90 -2.205 -5.603 9.151 1.00 0.31 H new ATOM 0 HA LEU A 90 -3.226 -8.233 8.623 1.00 0.40 H new ATOM 0 HB2 LEU A 90 -0.872 -6.760 7.403 1.00 0.33 H new ATOM 0 HB3 LEU A 90 -1.768 -8.090 6.697 1.00 0.33 H new ATOM 0 HG LEU A 90 -2.844 -5.310 7.278 1.00 0.24 H new ATOM 0 HD11 LEU A 90 -3.030 -5.123 4.838 1.00 0.29 H new ATOM 0 HD12 LEU A 90 -1.346 -5.372 5.359 1.00 0.29 H new ATOM 0 HD13 LEU A 90 -2.271 -6.723 4.661 1.00 0.29 H new ATOM 0 HD21 LEU A 90 -4.893 -6.090 6.123 1.00 0.27 H new ATOM 0 HD22 LEU A 90 -4.198 -7.725 6.010 1.00 0.27 H new ATOM 0 HD23 LEU A 90 -4.576 -7.027 7.603 1.00 0.27 H new ATOM 998 N LYS A 91 -0.230 -7.875 9.917 1.00 0.24 N ATOM 999 CA LYS A 91 0.748 -8.486 10.824 1.00 0.39 C ATOM 1000 C LYS A 91 1.302 -9.825 10.342 1.00 0.26 C ATOM 1001 O LYS A 91 1.795 -10.612 11.150 1.00 0.39 O ATOM 1002 CB LYS A 91 0.129 -8.675 12.207 1.00 0.78 C ATOM 1003 CG LYS A 91 -0.178 -7.372 12.914 1.00 1.31 C ATOM 1004 CD LYS A 91 -0.711 -7.617 14.314 1.00 1.49 C ATOM 1005 CE LYS A 91 -0.774 -6.328 15.115 1.00 1.91 C ATOM 1006 NZ LYS A 91 0.562 -5.681 15.220 1.00 2.48 N ATOM 0 H LYS A 91 -0.036 -6.894 9.713 1.00 0.24 H new ATOM 0 HA LYS A 91 1.589 -7.793 10.857 1.00 0.39 H new ATOM 0 HB2 LYS A 91 -0.791 -9.252 12.109 1.00 0.78 H new ATOM 0 HB3 LYS A 91 0.809 -9.262 12.824 1.00 0.78 H new ATOM 0 HG2 LYS A 91 0.725 -6.763 12.967 1.00 1.31 H new ATOM 0 HG3 LYS A 91 -0.910 -6.807 12.337 1.00 1.31 H new ATOM 0 HD2 LYS A 91 -1.705 -8.059 14.254 1.00 1.49 H new ATOM 0 HD3 LYS A 91 -0.073 -8.336 14.828 1.00 1.49 H new ATOM 0 HE2 LYS A 91 -1.476 -5.640 14.643 1.00 1.91 H new ATOM 0 HE3 LYS A 91 -1.156 -6.538 16.114 1.00 1.91 H new ATOM 0 HZ1 LYS A 91 0.582 -5.058 16.053 1.00 2.48 H new ATOM 0 HZ2 LYS A 91 1.295 -6.412 15.317 1.00 2.48 H new ATOM 0 HZ3 LYS A 91 0.744 -5.120 14.364 1.00 2.48 H new ATOM 1020 N GLY A 92 1.233 -10.095 9.051 1.00 0.26 N ATOM 1021 CA GLY A 92 1.765 -11.334 8.535 1.00 0.31 C ATOM 1022 C GLY A 92 2.343 -11.138 7.155 1.00 0.31 C ATOM 1023 O GLY A 92 2.055 -11.895 6.229 1.00 0.47 O ATOM 0 H GLY A 92 0.819 -9.479 8.352 1.00 0.26 H new ATOM 0 HA2 GLY A 92 2.536 -11.711 9.207 1.00 0.31 H new ATOM 0 HA3 GLY A 92 0.977 -12.086 8.500 1.00 0.31 H new ATOM 1027 N VAL A 93 3.147 -10.097 7.023 1.00 0.21 N ATOM 1028 CA VAL A 93 3.793 -9.781 5.773 1.00 0.21 C ATOM 1029 C VAL A 93 5.178 -10.380 5.774 1.00 0.20 C ATOM 1030 O VAL A 93 5.927 -10.231 6.741 1.00 0.22 O ATOM 1031 CB VAL A 93 3.829 -8.250 5.530 1.00 0.21 C ATOM 1032 CG1 VAL A 93 5.238 -7.719 5.315 1.00 0.21 C ATOM 1033 CG2 VAL A 93 2.966 -7.913 4.336 1.00 0.23 C ATOM 0 H VAL A 93 3.366 -9.451 7.782 1.00 0.21 H new ATOM 0 HA VAL A 93 3.222 -10.211 4.950 1.00 0.21 H new ATOM 0 HB VAL A 93 3.444 -7.768 6.429 1.00 0.21 H new ATOM 0 HG11 VAL A 93 5.200 -6.642 5.150 1.00 0.21 H new ATOM 0 HG12 VAL A 93 5.845 -7.930 6.196 1.00 0.21 H new ATOM 0 HG13 VAL A 93 5.681 -8.204 4.445 1.00 0.21 H new ATOM 0 HG21 VAL A 93 2.989 -6.837 4.162 1.00 0.23 H new ATOM 0 HG22 VAL A 93 3.345 -8.431 3.455 1.00 0.23 H new ATOM 0 HG23 VAL A 93 1.940 -8.228 4.528 1.00 0.23 H new ATOM 1043 N ASP A 94 5.506 -11.096 4.721 1.00 0.21 N ATOM 1044 CA ASP A 94 6.809 -11.701 4.632 1.00 0.24 C ATOM 1045 C ASP A 94 7.787 -10.647 4.167 1.00 0.21 C ATOM 1046 O ASP A 94 7.874 -10.350 2.979 1.00 0.20 O ATOM 1047 CB ASP A 94 6.793 -12.888 3.674 1.00 0.32 C ATOM 1048 CG ASP A 94 8.061 -13.709 3.764 1.00 1.02 C ATOM 1049 OD1 ASP A 94 9.082 -13.306 3.164 1.00 1.94 O ATOM 1050 OD2 ASP A 94 8.049 -14.754 4.431 1.00 1.10 O ATOM 0 H ASP A 94 4.893 -11.270 3.924 1.00 0.21 H new ATOM 0 HA ASP A 94 7.109 -12.081 5.609 1.00 0.24 H new ATOM 0 HB2 ASP A 94 5.935 -13.522 3.897 1.00 0.32 H new ATOM 0 HB3 ASP A 94 6.667 -12.528 2.653 1.00 0.32 H new ATOM 1055 N PHE A 95 8.508 -10.068 5.114 1.00 0.23 N ATOM 1056 CA PHE A 95 9.374 -8.938 4.827 1.00 0.24 C ATOM 1057 C PHE A 95 10.481 -9.370 3.887 1.00 0.23 C ATOM 1058 O PHE A 95 11.063 -8.563 3.166 1.00 0.28 O ATOM 1059 CB PHE A 95 9.973 -8.366 6.114 1.00 0.29 C ATOM 1060 CG PHE A 95 8.979 -7.649 6.983 1.00 0.37 C ATOM 1061 CD1 PHE A 95 8.203 -8.354 7.888 1.00 0.41 C ATOM 1062 CD2 PHE A 95 8.818 -6.275 6.898 1.00 0.55 C ATOM 1063 CE1 PHE A 95 7.287 -7.704 8.689 1.00 0.52 C ATOM 1064 CE2 PHE A 95 7.904 -5.619 7.696 1.00 0.66 C ATOM 1065 CZ PHE A 95 7.144 -6.312 8.585 1.00 0.61 C ATOM 0 H PHE A 95 8.510 -10.364 6.090 1.00 0.23 H new ATOM 0 HA PHE A 95 8.779 -8.157 4.354 1.00 0.24 H new ATOM 0 HB2 PHE A 95 10.422 -9.178 6.686 1.00 0.29 H new ATOM 0 HB3 PHE A 95 10.777 -7.677 5.854 1.00 0.29 H new ATOM 0 HD1 PHE A 95 8.316 -9.425 7.968 1.00 0.41 H new ATOM 0 HD2 PHE A 95 9.416 -5.711 6.198 1.00 0.55 H new ATOM 0 HE1 PHE A 95 6.685 -8.262 9.391 1.00 0.52 H new ATOM 0 HE2 PHE A 95 7.791 -4.548 7.614 1.00 0.66 H new ATOM 0 HZ PHE A 95 6.432 -5.793 9.209 1.00 0.61 H new ATOM 1075 N GLN A 96 10.752 -10.658 3.906 1.00 0.21 N ATOM 1076 CA GLN A 96 11.759 -11.245 3.043 1.00 0.24 C ATOM 1077 C GLN A 96 11.270 -11.268 1.606 1.00 0.21 C ATOM 1078 O GLN A 96 12.047 -11.097 0.666 1.00 0.25 O ATOM 1079 CB GLN A 96 12.084 -12.658 3.511 1.00 0.33 C ATOM 1080 CG GLN A 96 13.258 -13.287 2.787 1.00 1.06 C ATOM 1081 CD GLN A 96 14.479 -12.383 2.734 1.00 1.50 C ATOM 1082 OE1 GLN A 96 14.658 -11.547 3.749 1.00 2.08 O flip ATOM 1083 NE2 GLN A 96 15.263 -12.444 1.788 1.00 1.93 N flip ATOM 0 H GLN A 96 10.283 -11.327 4.517 1.00 0.21 H new ATOM 0 HA GLN A 96 12.664 -10.639 3.093 1.00 0.24 H new ATOM 0 HB2 GLN A 96 12.297 -12.637 4.580 1.00 0.33 H new ATOM 0 HB3 GLN A 96 11.205 -13.288 3.374 1.00 0.33 H new ATOM 0 HG2 GLN A 96 13.525 -14.220 3.283 1.00 1.06 H new ATOM 0 HG3 GLN A 96 12.957 -13.541 1.771 1.00 1.06 H new ATOM 0 HE21 GLN A 96 15.092 -13.100 1.025 1.00 1.93 H new ATOM 0 HE22 GLN A 96 16.084 -11.839 1.766 1.00 1.93 H new ATOM 1092 N LYS A 97 9.976 -11.473 1.443 1.00 0.18 N ATOM 1093 CA LYS A 97 9.372 -11.438 0.134 1.00 0.19 C ATOM 1094 C LYS A 97 9.271 -9.980 -0.285 1.00 0.17 C ATOM 1095 O LYS A 97 9.364 -9.640 -1.462 1.00 0.20 O ATOM 1096 CB LYS A 97 7.982 -12.093 0.161 1.00 0.23 C ATOM 1097 CG LYS A 97 7.640 -12.898 -1.088 1.00 0.26 C ATOM 1098 CD LYS A 97 7.723 -12.059 -2.352 1.00 0.25 C ATOM 1099 CE LYS A 97 7.398 -12.874 -3.594 1.00 0.38 C ATOM 1100 NZ LYS A 97 8.220 -14.109 -3.689 1.00 1.43 N ATOM 0 H LYS A 97 9.326 -11.665 2.205 1.00 0.18 H new ATOM 0 HA LYS A 97 9.978 -11.996 -0.579 1.00 0.19 H new ATOM 0 HB2 LYS A 97 7.920 -12.749 1.029 1.00 0.23 H new ATOM 0 HB3 LYS A 97 7.230 -11.315 0.294 1.00 0.23 H new ATOM 0 HG2 LYS A 97 8.322 -13.745 -1.170 1.00 0.26 H new ATOM 0 HG3 LYS A 97 6.634 -13.307 -0.991 1.00 0.26 H new ATOM 0 HD2 LYS A 97 7.032 -11.220 -2.277 1.00 0.25 H new ATOM 0 HD3 LYS A 97 8.725 -11.640 -2.445 1.00 0.25 H new ATOM 0 HE2 LYS A 97 6.342 -13.143 -3.583 1.00 0.38 H new ATOM 0 HE3 LYS A 97 7.562 -12.262 -4.481 1.00 0.38 H new ATOM 0 HZ1 LYS A 97 8.493 -14.269 -4.680 1.00 1.43 H new ATOM 0 HZ2 LYS A 97 9.075 -14.002 -3.107 1.00 1.43 H new ATOM 0 HZ3 LYS A 97 7.668 -14.921 -3.347 1.00 1.43 H new ATOM 1114 N PHE A 98 9.155 -9.123 0.723 1.00 0.16 N ATOM 1115 CA PHE A 98 9.025 -7.689 0.528 1.00 0.16 C ATOM 1116 C PHE A 98 10.391 -7.020 0.463 1.00 0.20 C ATOM 1117 O PHE A 98 10.524 -5.827 0.743 1.00 0.22 O ATOM 1118 CB PHE A 98 8.209 -7.078 1.660 1.00 0.15 C ATOM 1119 CG PHE A 98 6.738 -7.144 1.421 1.00 0.11 C ATOM 1120 CD1 PHE A 98 6.113 -6.141 0.708 1.00 0.11 C ATOM 1121 CD2 PHE A 98 5.981 -8.196 1.902 1.00 0.13 C ATOM 1122 CE1 PHE A 98 4.760 -6.181 0.478 1.00 0.11 C ATOM 1123 CE2 PHE A 98 4.627 -8.239 1.672 1.00 0.13 C ATOM 1124 CZ PHE A 98 4.017 -7.230 0.961 1.00 0.12 C ATOM 0 H PHE A 98 9.149 -9.408 1.702 1.00 0.16 H new ATOM 0 HA PHE A 98 8.513 -7.523 -0.420 1.00 0.16 H new ATOM 0 HB2 PHE A 98 8.444 -7.596 2.590 1.00 0.15 H new ATOM 0 HB3 PHE A 98 8.504 -6.037 1.792 1.00 0.15 H new ATOM 0 HD1 PHE A 98 6.695 -5.315 0.327 1.00 0.11 H new ATOM 0 HD2 PHE A 98 6.456 -8.988 2.461 1.00 0.13 H new ATOM 0 HE1 PHE A 98 4.282 -5.390 -0.081 1.00 0.11 H new ATOM 0 HE2 PHE A 98 4.041 -9.064 2.049 1.00 0.13 H new ATOM 0 HZ PHE A 98 2.952 -7.264 0.783 1.00 0.12 H new ATOM 1134 N CYS A 99 11.405 -7.797 0.118 1.00 0.26 N ATOM 1135 CA CYS A 99 12.753 -7.278 -0.004 1.00 0.31 C ATOM 1136 C CYS A 99 12.888 -6.469 -1.289 1.00 0.23 C ATOM 1137 O CYS A 99 13.390 -6.963 -2.302 1.00 0.27 O ATOM 1138 CB CYS A 99 13.753 -8.430 -0.006 1.00 0.45 C ATOM 1139 SG CYS A 99 15.485 -7.925 0.131 1.00 1.20 S ATOM 0 H CYS A 99 11.317 -8.793 -0.083 1.00 0.26 H new ATOM 0 HA CYS A 99 12.961 -6.627 0.845 1.00 0.31 H new ATOM 0 HB2 CYS A 99 13.517 -9.100 0.821 1.00 0.45 H new ATOM 0 HB3 CYS A 99 13.627 -9.002 -0.925 1.00 0.45 H new ATOM 0 HG CYS A 99 16.246 -8.979 0.122 1.00 1.20 H new ATOM 1145 N MET A 100 12.425 -5.232 -1.247 1.00 0.19 N ATOM 1146 CA MET A 100 12.551 -4.342 -2.379 1.00 0.16 C ATOM 1147 C MET A 100 13.227 -3.058 -1.979 1.00 0.17 C ATOM 1148 O MET A 100 12.993 -2.521 -0.897 1.00 0.20 O ATOM 1149 CB MET A 100 11.192 -3.972 -2.993 1.00 0.22 C ATOM 1150 CG MET A 100 10.524 -5.069 -3.798 1.00 0.22 C ATOM 1151 SD MET A 100 9.574 -6.202 -2.771 1.00 0.13 S ATOM 1152 CE MET A 100 8.344 -5.088 -2.092 1.00 0.18 C ATOM 0 H MET A 100 11.958 -4.824 -0.437 1.00 0.19 H new ATOM 0 HA MET A 100 13.144 -4.884 -3.116 1.00 0.16 H new ATOM 0 HB2 MET A 100 10.519 -3.672 -2.190 1.00 0.22 H new ATOM 0 HB3 MET A 100 11.327 -3.103 -3.637 1.00 0.22 H new ATOM 0 HG2 MET A 100 9.866 -4.619 -4.541 1.00 0.22 H new ATOM 0 HG3 MET A 100 11.284 -5.629 -4.343 1.00 0.22 H new ATOM 0 HE1 MET A 100 7.351 -5.517 -2.227 1.00 0.18 H new ATOM 0 HE2 MET A 100 8.534 -4.940 -1.029 1.00 0.18 H new ATOM 0 HE3 MET A 100 8.398 -4.129 -2.607 1.00 0.18 H new ATOM 1162 N SER A 101 14.070 -2.581 -2.856 1.00 0.16 N ATOM 1163 CA SER A 101 14.414 -1.191 -2.866 1.00 0.18 C ATOM 1164 C SER A 101 13.361 -0.525 -3.732 1.00 0.14 C ATOM 1165 O SER A 101 12.624 -1.229 -4.405 1.00 0.15 O ATOM 1166 CB SER A 101 15.822 -0.992 -3.424 1.00 0.24 C ATOM 1167 OG SER A 101 15.976 -1.667 -4.661 1.00 1.26 O ATOM 0 H SER A 101 14.531 -3.140 -3.574 1.00 0.16 H new ATOM 0 HA SER A 101 14.427 -0.759 -1.866 1.00 0.18 H new ATOM 0 HB2 SER A 101 16.017 0.072 -3.559 1.00 0.24 H new ATOM 0 HB3 SER A 101 16.557 -1.363 -2.709 1.00 0.24 H new ATOM 0 HG SER A 101 16.884 -1.524 -5.001 1.00 1.26 H new ATOM 1173 N GLY A 102 13.245 0.778 -3.701 1.00 0.13 N ATOM 1174 CA GLY A 102 12.201 1.444 -4.450 1.00 0.14 C ATOM 1175 C GLY A 102 12.140 1.038 -5.909 1.00 0.14 C ATOM 1176 O GLY A 102 11.053 0.808 -6.443 1.00 0.16 O ATOM 0 H GLY A 102 13.855 1.399 -3.170 1.00 0.13 H new ATOM 0 HA2 GLY A 102 11.239 1.231 -3.983 1.00 0.14 H new ATOM 0 HA3 GLY A 102 12.354 2.522 -4.389 1.00 0.14 H new ATOM 1180 N ALA A 103 13.290 0.945 -6.565 1.00 0.17 N ATOM 1181 CA ALA A 103 13.317 0.531 -7.958 1.00 0.21 C ATOM 1182 C ALA A 103 12.740 -0.870 -8.101 1.00 0.21 C ATOM 1183 O ALA A 103 12.013 -1.165 -9.048 1.00 0.25 O ATOM 1184 CB ALA A 103 14.737 0.586 -8.505 1.00 0.26 C ATOM 0 H ALA A 103 14.204 1.148 -6.160 1.00 0.17 H new ATOM 0 HA ALA A 103 12.703 1.220 -8.538 1.00 0.21 H new ATOM 0 HB1 ALA A 103 14.737 0.273 -9.549 1.00 0.26 H new ATOM 0 HB2 ALA A 103 15.116 1.605 -8.432 1.00 0.26 H new ATOM 0 HB3 ALA A 103 15.376 -0.081 -7.926 1.00 0.26 H new ATOM 1190 N ALA A 104 13.059 -1.718 -7.136 1.00 0.19 N ATOM 1191 CA ALA A 104 12.518 -3.062 -7.089 1.00 0.20 C ATOM 1192 C ALA A 104 11.033 -3.021 -6.751 1.00 0.16 C ATOM 1193 O ALA A 104 10.232 -3.728 -7.367 1.00 0.17 O ATOM 1194 CB ALA A 104 13.274 -3.900 -6.071 1.00 0.22 C ATOM 0 H ALA A 104 13.695 -1.494 -6.371 1.00 0.19 H new ATOM 0 HA ALA A 104 12.637 -3.522 -8.070 1.00 0.20 H new ATOM 0 HB1 ALA A 104 12.857 -4.907 -6.047 1.00 0.22 H new ATOM 0 HB2 ALA A 104 14.326 -3.950 -6.350 1.00 0.22 H new ATOM 0 HB3 ALA A 104 13.182 -3.445 -5.085 1.00 0.22 H new ATOM 1200 N LEU A 105 10.674 -2.202 -5.753 1.00 0.12 N ATOM 1201 CA LEU A 105 9.286 -1.973 -5.373 1.00 0.09 C ATOM 1202 C LEU A 105 8.413 -1.683 -6.573 1.00 0.12 C ATOM 1203 O LEU A 105 7.319 -2.193 -6.704 1.00 0.13 O ATOM 1204 CB LEU A 105 9.184 -0.783 -4.407 1.00 0.09 C ATOM 1205 CG LEU A 105 7.762 -0.504 -3.952 1.00 0.11 C ATOM 1206 CD1 LEU A 105 7.228 -1.686 -3.170 1.00 0.11 C ATOM 1207 CD2 LEU A 105 7.687 0.756 -3.127 1.00 0.14 C ATOM 0 H LEU A 105 11.345 -1.681 -5.189 1.00 0.12 H new ATOM 0 HA LEU A 105 8.937 -2.887 -4.892 1.00 0.09 H new ATOM 0 HB2 LEU A 105 9.807 -0.977 -3.534 1.00 0.09 H new ATOM 0 HB3 LEU A 105 9.585 0.107 -4.893 1.00 0.09 H new ATOM 0 HG LEU A 105 7.143 -0.355 -4.837 1.00 0.11 H new ATOM 0 HD11 LEU A 105 6.208 -1.478 -2.847 1.00 0.11 H new ATOM 0 HD12 LEU A 105 7.235 -2.574 -3.803 1.00 0.11 H new ATOM 0 HD13 LEU A 105 7.857 -1.858 -2.296 1.00 0.11 H new ATOM 0 HD21 LEU A 105 6.656 0.927 -2.817 1.00 0.14 H new ATOM 0 HD22 LEU A 105 8.318 0.651 -2.245 1.00 0.14 H new ATOM 0 HD23 LEU A 105 8.032 1.602 -3.722 1.00 0.14 H new ATOM 1219 N CYS A 106 8.880 -0.793 -7.387 1.00 0.21 N ATOM 1220 CA CYS A 106 8.212 -0.468 -8.619 1.00 0.31 C ATOM 1221 C CYS A 106 8.261 -1.618 -9.620 1.00 0.34 C ATOM 1222 O CYS A 106 7.225 -2.039 -10.138 1.00 0.40 O ATOM 1223 CB CYS A 106 8.853 0.764 -9.214 1.00 0.39 C ATOM 1224 SG CYS A 106 8.111 1.315 -10.771 1.00 0.74 S ATOM 0 H CYS A 106 9.737 -0.266 -7.222 1.00 0.21 H new ATOM 0 HA CYS A 106 7.161 -0.280 -8.398 1.00 0.31 H new ATOM 0 HB2 CYS A 106 8.793 1.576 -8.489 1.00 0.39 H new ATOM 0 HB3 CYS A 106 9.911 0.564 -9.381 1.00 0.39 H new ATOM 0 HG CYS A 106 7.425 0.342 -11.293 1.00 0.74 H new ATOM 1230 N ALA A 107 9.468 -2.117 -9.891 1.00 0.33 N ATOM 1231 CA ALA A 107 9.694 -3.116 -10.936 1.00 0.41 C ATOM 1232 C ALA A 107 8.775 -4.332 -10.842 1.00 0.38 C ATOM 1233 O ALA A 107 8.455 -4.930 -11.870 1.00 0.46 O ATOM 1234 CB ALA A 107 11.144 -3.562 -10.907 1.00 0.47 C ATOM 0 H ALA A 107 10.314 -1.841 -9.393 1.00 0.33 H new ATOM 0 HA ALA A 107 9.457 -2.631 -11.883 1.00 0.41 H new ATOM 0 HB1 ALA A 107 11.311 -4.306 -11.686 1.00 0.47 H new ATOM 0 HB2 ALA A 107 11.792 -2.703 -11.080 1.00 0.47 H new ATOM 0 HB3 ALA A 107 11.371 -3.998 -9.934 1.00 0.47 H new ATOM 1240 N LEU A 108 8.350 -4.705 -9.638 1.00 0.29 N ATOM 1241 CA LEU A 108 7.493 -5.874 -9.485 1.00 0.26 C ATOM 1242 C LEU A 108 6.187 -5.743 -10.277 1.00 0.26 C ATOM 1243 O LEU A 108 5.740 -6.701 -10.904 1.00 0.28 O ATOM 1244 CB LEU A 108 7.217 -6.192 -7.998 1.00 0.21 C ATOM 1245 CG LEU A 108 6.943 -5.014 -7.044 1.00 0.18 C ATOM 1246 CD1 LEU A 108 5.605 -4.325 -7.335 1.00 0.21 C ATOM 1247 CD2 LEU A 108 6.985 -5.511 -5.609 1.00 0.19 C ATOM 0 H LEU A 108 8.581 -4.224 -8.769 1.00 0.29 H new ATOM 0 HA LEU A 108 8.040 -6.717 -9.906 1.00 0.26 H new ATOM 0 HB2 LEU A 108 6.359 -6.863 -7.954 1.00 0.21 H new ATOM 0 HB3 LEU A 108 8.074 -6.743 -7.610 1.00 0.21 H new ATOM 0 HG LEU A 108 7.720 -4.266 -7.202 1.00 0.18 H new ATOM 0 HD11 LEU A 108 5.460 -3.502 -6.635 1.00 0.21 H new ATOM 0 HD12 LEU A 108 5.609 -3.938 -8.354 1.00 0.21 H new ATOM 0 HD13 LEU A 108 4.794 -5.044 -7.223 1.00 0.21 H new ATOM 0 HD21 LEU A 108 6.792 -4.680 -4.930 1.00 0.19 H new ATOM 0 HD22 LEU A 108 6.225 -6.279 -5.468 1.00 0.19 H new ATOM 0 HD23 LEU A 108 7.969 -5.930 -5.398 1.00 0.19 H new ATOM 1259 N GLY A 109 5.593 -4.559 -10.283 1.00 0.27 N ATOM 1260 CA GLY A 109 4.301 -4.388 -10.915 1.00 0.32 C ATOM 1261 C GLY A 109 3.191 -5.002 -10.082 1.00 0.27 C ATOM 1262 O GLY A 109 3.462 -5.773 -9.157 1.00 0.23 O ATOM 0 H GLY A 109 5.982 -3.715 -9.862 1.00 0.27 H new ATOM 0 HA2 GLY A 109 4.103 -3.326 -11.061 1.00 0.32 H new ATOM 0 HA3 GLY A 109 4.314 -4.849 -11.903 1.00 0.32 H new ATOM 1266 N LYS A 110 1.948 -4.646 -10.392 1.00 0.33 N ATOM 1267 CA LYS A 110 0.793 -5.166 -9.663 1.00 0.36 C ATOM 1268 C LYS A 110 0.879 -6.686 -9.469 1.00 0.26 C ATOM 1269 O LYS A 110 0.849 -7.161 -8.335 1.00 0.30 O ATOM 1270 CB LYS A 110 -0.524 -4.758 -10.372 1.00 0.56 C ATOM 1271 CG LYS A 110 -1.483 -5.908 -10.695 1.00 0.63 C ATOM 1272 CD LYS A 110 -2.173 -6.466 -9.468 1.00 0.42 C ATOM 1273 CE LYS A 110 -2.546 -7.939 -9.657 1.00 0.39 C ATOM 1274 NZ LYS A 110 -3.634 -8.128 -10.652 1.00 0.67 N ATOM 0 H LYS A 110 1.713 -3.998 -11.144 1.00 0.33 H new ATOM 0 HA LYS A 110 0.797 -4.721 -8.668 1.00 0.36 H new ATOM 0 HB2 LYS A 110 -1.047 -4.038 -9.743 1.00 0.56 H new ATOM 0 HB3 LYS A 110 -0.273 -4.246 -11.301 1.00 0.56 H new ATOM 0 HG2 LYS A 110 -2.236 -5.558 -11.401 1.00 0.63 H new ATOM 0 HG3 LYS A 110 -0.930 -6.707 -11.189 1.00 0.63 H new ATOM 0 HD2 LYS A 110 -1.518 -6.363 -8.603 1.00 0.42 H new ATOM 0 HD3 LYS A 110 -3.072 -5.886 -9.259 1.00 0.42 H new ATOM 0 HE2 LYS A 110 -1.665 -8.495 -9.977 1.00 0.39 H new ATOM 0 HE3 LYS A 110 -2.857 -8.357 -8.700 1.00 0.39 H new ATOM 0 HZ1 LYS A 110 -3.849 -9.141 -10.743 1.00 0.67 H new ATOM 0 HZ2 LYS A 110 -4.485 -7.621 -10.336 1.00 0.67 H new ATOM 0 HZ3 LYS A 110 -3.330 -7.754 -11.574 1.00 0.67 H new ATOM 1288 N GLU A 111 0.988 -7.443 -10.559 1.00 0.25 N ATOM 1289 CA GLU A 111 0.890 -8.901 -10.482 1.00 0.31 C ATOM 1290 C GLU A 111 1.911 -9.503 -9.522 1.00 0.27 C ATOM 1291 O GLU A 111 1.562 -10.341 -8.690 1.00 0.39 O ATOM 1292 CB GLU A 111 1.015 -9.528 -11.870 1.00 0.48 C ATOM 1293 CG GLU A 111 -0.185 -9.238 -12.758 1.00 1.39 C ATOM 1294 CD GLU A 111 -0.099 -9.912 -14.110 1.00 1.95 C ATOM 1295 OE1 GLU A 111 -0.283 -11.146 -14.177 1.00 2.46 O ATOM 1296 OE2 GLU A 111 0.159 -9.215 -15.114 1.00 2.54 O ATOM 0 H GLU A 111 1.143 -7.076 -11.498 1.00 0.25 H new ATOM 0 HA GLU A 111 -0.097 -9.132 -10.082 1.00 0.31 H new ATOM 0 HB2 GLU A 111 1.918 -9.153 -12.353 1.00 0.48 H new ATOM 0 HB3 GLU A 111 1.133 -10.607 -11.767 1.00 0.48 H new ATOM 0 HG2 GLU A 111 -1.092 -9.567 -12.252 1.00 1.39 H new ATOM 0 HG3 GLU A 111 -0.272 -8.161 -12.900 1.00 1.39 H new ATOM 1303 N CYS A 112 3.152 -9.061 -9.618 1.00 0.21 N ATOM 1304 CA CYS A 112 4.192 -9.573 -8.749 1.00 0.18 C ATOM 1305 C CYS A 112 3.926 -9.166 -7.310 1.00 0.15 C ATOM 1306 O CYS A 112 3.962 -10.007 -6.423 1.00 0.17 O ATOM 1307 CB CYS A 112 5.577 -9.100 -9.189 1.00 0.21 C ATOM 1308 SG CYS A 112 6.936 -9.874 -8.280 1.00 1.36 S ATOM 0 H CYS A 112 3.461 -8.354 -10.285 1.00 0.21 H new ATOM 0 HA CYS A 112 4.176 -10.661 -8.819 1.00 0.18 H new ATOM 0 HB2 CYS A 112 5.700 -9.306 -10.252 1.00 0.21 H new ATOM 0 HB3 CYS A 112 5.638 -8.019 -9.064 1.00 0.21 H new ATOM 0 HG CYS A 112 8.070 -9.415 -8.721 1.00 1.36 H new ATOM 1314 N PHE A 113 3.649 -7.879 -7.081 1.00 0.13 N ATOM 1315 CA PHE A 113 3.374 -7.378 -5.737 1.00 0.12 C ATOM 1316 C PHE A 113 2.264 -8.179 -5.045 1.00 0.13 C ATOM 1317 O PHE A 113 2.367 -8.519 -3.869 1.00 0.14 O ATOM 1318 CB PHE A 113 2.993 -5.886 -5.771 1.00 0.12 C ATOM 1319 CG PHE A 113 3.238 -5.192 -4.459 1.00 0.10 C ATOM 1320 CD1 PHE A 113 2.471 -5.513 -3.354 1.00 0.11 C ATOM 1321 CD2 PHE A 113 4.264 -4.259 -4.309 1.00 0.11 C ATOM 1322 CE1 PHE A 113 2.705 -4.923 -2.135 1.00 0.12 C ATOM 1323 CE2 PHE A 113 4.502 -3.677 -3.085 1.00 0.13 C ATOM 1324 CZ PHE A 113 3.725 -4.009 -1.998 1.00 0.10 C ATOM 0 H PHE A 113 3.610 -7.168 -7.811 1.00 0.13 H new ATOM 0 HA PHE A 113 4.292 -7.499 -5.161 1.00 0.12 H new ATOM 0 HB2 PHE A 113 3.565 -5.387 -6.553 1.00 0.12 H new ATOM 0 HB3 PHE A 113 1.940 -5.790 -6.036 1.00 0.12 H new ATOM 0 HD1 PHE A 113 1.676 -6.238 -3.450 1.00 0.11 H new ATOM 0 HD2 PHE A 113 4.875 -3.992 -5.158 1.00 0.11 H new ATOM 0 HE1 PHE A 113 2.089 -5.176 -1.285 1.00 0.12 H new ATOM 0 HE2 PHE A 113 5.300 -2.958 -2.977 1.00 0.13 H new ATOM 0 HZ PHE A 113 3.916 -3.552 -1.038 1.00 0.10 H new ATOM 1334 N LEU A 114 1.193 -8.475 -5.753 1.00 0.14 N ATOM 1335 CA LEU A 114 0.070 -9.148 -5.110 1.00 0.17 C ATOM 1336 C LEU A 114 0.350 -10.633 -4.948 1.00 0.22 C ATOM 1337 O LEU A 114 -0.287 -11.306 -4.144 1.00 0.27 O ATOM 1338 CB LEU A 114 -1.247 -8.936 -5.845 1.00 0.19 C ATOM 1339 CG LEU A 114 -1.480 -7.547 -6.442 1.00 0.24 C ATOM 1340 CD1 LEU A 114 -2.961 -7.252 -6.493 1.00 0.54 C ATOM 1341 CD2 LEU A 114 -0.774 -6.442 -5.686 1.00 0.50 C ATOM 0 H LEU A 114 1.071 -8.270 -6.745 1.00 0.14 H new ATOM 0 HA LEU A 114 -0.038 -8.694 -4.125 1.00 0.17 H new ATOM 0 HB2 LEU A 114 -1.310 -9.668 -6.650 1.00 0.19 H new ATOM 0 HB3 LEU A 114 -2.062 -9.151 -5.154 1.00 0.19 H new ATOM 0 HG LEU A 114 -1.056 -7.567 -7.446 1.00 0.24 H new ATOM 0 HD11 LEU A 114 -3.120 -6.261 -6.919 1.00 0.54 H new ATOM 0 HD12 LEU A 114 -3.459 -7.998 -7.112 1.00 0.54 H new ATOM 0 HD13 LEU A 114 -3.373 -7.284 -5.484 1.00 0.54 H new ATOM 0 HD21 LEU A 114 -0.982 -5.484 -6.163 1.00 0.50 H new ATOM 0 HD22 LEU A 114 -1.131 -6.420 -4.656 1.00 0.50 H new ATOM 0 HD23 LEU A 114 0.300 -6.625 -5.693 1.00 0.50 H new ATOM 1353 N GLU A 115 1.281 -11.148 -5.742 1.00 0.22 N ATOM 1354 CA GLU A 115 1.802 -12.489 -5.515 1.00 0.28 C ATOM 1355 C GLU A 115 2.831 -12.443 -4.399 1.00 0.27 C ATOM 1356 O GLU A 115 3.205 -13.462 -3.813 1.00 0.37 O ATOM 1357 CB GLU A 115 2.483 -13.049 -6.756 1.00 0.37 C ATOM 1358 CG GLU A 115 1.549 -13.332 -7.908 1.00 0.48 C ATOM 1359 CD GLU A 115 2.274 -13.983 -9.069 1.00 1.33 C ATOM 1360 OE1 GLU A 115 2.972 -13.267 -9.817 1.00 2.21 O ATOM 1361 OE2 GLU A 115 2.136 -15.210 -9.252 1.00 1.81 O ATOM 0 H GLU A 115 1.687 -10.662 -6.542 1.00 0.22 H new ATOM 0 HA GLU A 115 0.959 -13.130 -5.255 1.00 0.28 H new ATOM 0 HB2 GLU A 115 3.245 -12.343 -7.087 1.00 0.37 H new ATOM 0 HB3 GLU A 115 2.998 -13.971 -6.487 1.00 0.37 H new ATOM 0 HG2 GLU A 115 0.742 -13.983 -7.571 1.00 0.48 H new ATOM 0 HG3 GLU A 115 1.089 -12.401 -8.241 1.00 0.48 H new ATOM 1368 N LEU A 116 3.279 -11.234 -4.132 1.00 0.20 N ATOM 1369 CA LEU A 116 4.376 -10.969 -3.228 1.00 0.19 C ATOM 1370 C LEU A 116 3.879 -10.873 -1.788 1.00 0.22 C ATOM 1371 O LEU A 116 4.624 -11.117 -0.840 1.00 0.26 O ATOM 1372 CB LEU A 116 5.062 -9.684 -3.703 1.00 0.15 C ATOM 1373 CG LEU A 116 5.738 -8.831 -2.647 1.00 0.13 C ATOM 1374 CD1 LEU A 116 7.118 -8.416 -3.114 1.00 0.20 C ATOM 1375 CD2 LEU A 116 4.902 -7.605 -2.360 1.00 0.16 C ATOM 0 H LEU A 116 2.882 -10.391 -4.547 1.00 0.20 H new ATOM 0 HA LEU A 116 5.099 -11.785 -3.237 1.00 0.19 H new ATOM 0 HB2 LEU A 116 5.810 -9.955 -4.448 1.00 0.15 H new ATOM 0 HB3 LEU A 116 4.317 -9.070 -4.208 1.00 0.15 H new ATOM 0 HG LEU A 116 5.837 -9.417 -1.733 1.00 0.13 H new ATOM 0 HD11 LEU A 116 7.593 -7.804 -2.347 1.00 0.20 H new ATOM 0 HD12 LEU A 116 7.723 -9.304 -3.296 1.00 0.20 H new ATOM 0 HD13 LEU A 116 7.032 -7.841 -4.036 1.00 0.20 H new ATOM 0 HD21 LEU A 116 5.395 -6.998 -1.601 1.00 0.16 H new ATOM 0 HD22 LEU A 116 4.787 -7.021 -3.273 1.00 0.16 H new ATOM 0 HD23 LEU A 116 3.920 -7.911 -1.999 1.00 0.16 H new ATOM 1387 N ALA A 117 2.614 -10.527 -1.643 1.00 0.21 N ATOM 1388 CA ALA A 117 1.946 -10.545 -0.353 1.00 0.22 C ATOM 1389 C ALA A 117 0.650 -11.328 -0.478 1.00 0.23 C ATOM 1390 O ALA A 117 0.354 -11.839 -1.555 1.00 0.26 O ATOM 1391 CB ALA A 117 1.658 -9.123 0.109 1.00 0.22 C ATOM 0 H ALA A 117 2.020 -10.225 -2.415 1.00 0.21 H new ATOM 0 HA ALA A 117 2.591 -11.022 0.385 1.00 0.22 H new ATOM 0 HB1 ALA A 117 1.157 -9.149 1.077 1.00 0.22 H new ATOM 0 HB2 ALA A 117 2.595 -8.573 0.200 1.00 0.22 H new ATOM 0 HB3 ALA A 117 1.015 -8.627 -0.619 1.00 0.22 H new ATOM 1397 N PRO A 118 -0.130 -11.476 0.604 1.00 0.24 N ATOM 1398 CA PRO A 118 -1.511 -11.924 0.483 1.00 0.25 C ATOM 1399 C PRO A 118 -2.234 -11.095 -0.570 1.00 0.22 C ATOM 1400 O PRO A 118 -2.052 -9.881 -0.640 1.00 0.18 O ATOM 1401 CB PRO A 118 -2.090 -11.667 1.867 1.00 0.28 C ATOM 1402 CG PRO A 118 -0.923 -11.770 2.786 1.00 0.32 C ATOM 1403 CD PRO A 118 0.269 -11.278 2.009 1.00 0.29 C ATOM 0 HA PRO A 118 -1.606 -12.966 0.176 1.00 0.25 H new ATOM 0 HB2 PRO A 118 -2.556 -10.683 1.926 1.00 0.28 H new ATOM 0 HB3 PRO A 118 -2.858 -12.399 2.118 1.00 0.28 H new ATOM 0 HG2 PRO A 118 -1.079 -11.169 3.682 1.00 0.32 H new ATOM 0 HG3 PRO A 118 -0.776 -12.799 3.114 1.00 0.32 H new ATOM 0 HD2 PRO A 118 0.482 -10.230 2.222 1.00 0.29 H new ATOM 0 HD3 PRO A 118 1.169 -11.843 2.254 1.00 0.29 H new ATOM 1411 N ASP A 119 -3.023 -11.761 -1.392 1.00 0.28 N ATOM 1412 CA ASP A 119 -3.603 -11.158 -2.594 1.00 0.32 C ATOM 1413 C ASP A 119 -4.343 -9.838 -2.342 1.00 0.31 C ATOM 1414 O ASP A 119 -4.422 -9.010 -3.248 1.00 0.41 O ATOM 1415 CB ASP A 119 -4.525 -12.149 -3.308 1.00 0.41 C ATOM 1416 CG ASP A 119 -3.776 -13.340 -3.878 1.00 0.81 C ATOM 1417 OD1 ASP A 119 -3.311 -14.187 -3.088 1.00 0.95 O ATOM 1418 OD2 ASP A 119 -3.631 -13.427 -5.117 1.00 1.26 O ATOM 0 H ASP A 119 -3.285 -12.737 -1.252 1.00 0.28 H new ATOM 0 HA ASP A 119 -2.754 -10.913 -3.233 1.00 0.32 H new ATOM 0 HB2 ASP A 119 -5.283 -12.502 -2.609 1.00 0.41 H new ATOM 0 HB3 ASP A 119 -5.049 -11.635 -4.114 1.00 0.41 H new ATOM 1423 N PHE A 120 -4.871 -9.610 -1.138 1.00 0.27 N ATOM 1424 CA PHE A 120 -5.534 -8.336 -0.869 1.00 0.32 C ATOM 1425 C PHE A 120 -4.530 -7.350 -0.318 1.00 0.22 C ATOM 1426 O PHE A 120 -4.612 -6.157 -0.560 1.00 0.22 O ATOM 1427 CB PHE A 120 -6.728 -8.463 0.082 1.00 0.46 C ATOM 1428 CG PHE A 120 -7.457 -7.162 0.279 1.00 0.90 C ATOM 1429 CD1 PHE A 120 -7.734 -6.339 -0.797 1.00 1.04 C ATOM 1430 CD2 PHE A 120 -7.883 -6.776 1.542 1.00 1.53 C ATOM 1431 CE1 PHE A 120 -8.422 -5.154 -0.620 1.00 1.45 C ATOM 1432 CE2 PHE A 120 -8.568 -5.594 1.725 1.00 1.97 C ATOM 1433 CZ PHE A 120 -8.766 -4.741 0.643 1.00 1.86 C ATOM 0 H PHE A 120 -4.854 -10.267 -0.358 1.00 0.27 H new ATOM 0 HA PHE A 120 -5.935 -7.978 -1.817 1.00 0.32 H new ATOM 0 HB2 PHE A 120 -7.421 -9.207 -0.310 1.00 0.46 H new ATOM 0 HB3 PHE A 120 -6.380 -8.829 1.048 1.00 0.46 H new ATOM 0 HD1 PHE A 120 -7.409 -6.626 -1.786 1.00 1.04 H new ATOM 0 HD2 PHE A 120 -7.675 -7.409 2.392 1.00 1.53 H new ATOM 0 HE1 PHE A 120 -8.689 -4.552 -1.476 1.00 1.45 H new ATOM 0 HE2 PHE A 120 -8.948 -5.332 2.701 1.00 1.97 H new ATOM 0 HZ PHE A 120 -9.188 -3.759 0.797 1.00 1.86 H new ATOM 1443 N VAL A 121 -3.566 -7.877 0.406 1.00 0.19 N ATOM 1444 CA VAL A 121 -2.552 -7.079 1.050 1.00 0.17 C ATOM 1445 C VAL A 121 -1.595 -6.517 0.029 1.00 0.15 C ATOM 1446 O VAL A 121 -1.157 -5.373 0.140 1.00 0.14 O ATOM 1447 CB VAL A 121 -1.797 -7.936 2.059 1.00 0.18 C ATOM 1448 CG1 VAL A 121 -0.693 -7.145 2.733 1.00 0.19 C ATOM 1449 CG2 VAL A 121 -2.795 -8.483 3.054 1.00 0.22 C ATOM 0 H VAL A 121 -3.466 -8.880 0.564 1.00 0.19 H new ATOM 0 HA VAL A 121 -3.030 -6.247 1.567 1.00 0.17 H new ATOM 0 HB VAL A 121 -1.305 -8.766 1.552 1.00 0.18 H new ATOM 0 HG11 VAL A 121 -0.172 -7.783 3.447 1.00 0.19 H new ATOM 0 HG12 VAL A 121 0.012 -6.791 1.981 1.00 0.19 H new ATOM 0 HG13 VAL A 121 -1.124 -6.291 3.256 1.00 0.19 H new ATOM 0 HG21 VAL A 121 -2.276 -9.101 3.787 1.00 0.22 H new ATOM 0 HG22 VAL A 121 -3.292 -7.657 3.562 1.00 0.22 H new ATOM 0 HG23 VAL A 121 -3.537 -9.086 2.531 1.00 0.22 H new ATOM 1459 N GLY A 122 -1.267 -7.333 -0.964 1.00 0.17 N ATOM 1460 CA GLY A 122 -0.510 -6.851 -2.083 1.00 0.19 C ATOM 1461 C GLY A 122 -1.193 -5.671 -2.720 1.00 0.16 C ATOM 1462 O GLY A 122 -0.553 -4.680 -2.995 1.00 0.14 O ATOM 0 H GLY A 122 -1.516 -8.321 -1.007 1.00 0.17 H new ATOM 0 HA2 GLY A 122 0.490 -6.566 -1.756 1.00 0.19 H new ATOM 0 HA3 GLY A 122 -0.390 -7.648 -2.817 1.00 0.19 H new ATOM 1466 N ASP A 123 -2.506 -5.772 -2.922 1.00 0.18 N ATOM 1467 CA ASP A 123 -3.280 -4.714 -3.572 1.00 0.19 C ATOM 1468 C ASP A 123 -3.502 -3.548 -2.615 1.00 0.13 C ATOM 1469 O ASP A 123 -3.529 -2.399 -3.029 1.00 0.13 O ATOM 1470 CB ASP A 123 -4.614 -5.272 -4.084 1.00 0.30 C ATOM 1471 CG ASP A 123 -5.547 -4.209 -4.636 1.00 0.57 C ATOM 1472 OD1 ASP A 123 -5.332 -3.752 -5.779 1.00 0.68 O ATOM 1473 OD2 ASP A 123 -6.529 -3.854 -3.950 1.00 1.07 O ATOM 0 H ASP A 123 -3.060 -6.582 -2.643 1.00 0.18 H new ATOM 0 HA ASP A 123 -2.717 -4.341 -4.427 1.00 0.19 H new ATOM 0 HB2 ASP A 123 -4.415 -6.008 -4.863 1.00 0.30 H new ATOM 0 HB3 ASP A 123 -5.115 -5.796 -3.270 1.00 0.30 H new ATOM 1478 N ILE A 124 -3.681 -3.860 -1.337 1.00 0.12 N ATOM 1479 CA ILE A 124 -3.685 -2.850 -0.281 1.00 0.10 C ATOM 1480 C ILE A 124 -2.423 -2.001 -0.350 1.00 0.09 C ATOM 1481 O ILE A 124 -2.476 -0.781 -0.549 1.00 0.10 O ATOM 1482 CB ILE A 124 -3.816 -3.511 1.119 1.00 0.14 C ATOM 1483 CG1 ILE A 124 -5.286 -3.773 1.440 1.00 0.20 C ATOM 1484 CG2 ILE A 124 -3.179 -2.654 2.213 1.00 0.16 C ATOM 1485 CD1 ILE A 124 -5.495 -4.465 2.770 1.00 0.22 C ATOM 0 H ILE A 124 -3.827 -4.813 -1.003 1.00 0.12 H new ATOM 0 HA ILE A 124 -4.549 -2.204 -0.435 1.00 0.10 H new ATOM 0 HB ILE A 124 -3.279 -4.459 1.090 1.00 0.14 H new ATOM 0 HG12 ILE A 124 -5.824 -2.825 1.443 1.00 0.20 H new ATOM 0 HG13 ILE A 124 -5.720 -4.384 0.648 1.00 0.20 H new ATOM 0 HG21 ILE A 124 -3.292 -3.151 3.176 1.00 0.16 H new ATOM 0 HG22 ILE A 124 -2.119 -2.517 1.997 1.00 0.16 H new ATOM 0 HG23 ILE A 124 -3.671 -1.682 2.246 1.00 0.16 H new ATOM 0 HD11 ILE A 124 -6.561 -4.621 2.936 1.00 0.22 H new ATOM 0 HD12 ILE A 124 -4.984 -5.428 2.763 1.00 0.22 H new ATOM 0 HD13 ILE A 124 -5.090 -3.845 3.570 1.00 0.22 H new ATOM 1497 N LEU A 125 -1.291 -2.656 -0.197 1.00 0.08 N ATOM 1498 CA LEU A 125 -0.014 -2.006 -0.322 1.00 0.08 C ATOM 1499 C LEU A 125 0.161 -1.416 -1.710 1.00 0.09 C ATOM 1500 O LEU A 125 0.604 -0.284 -1.847 1.00 0.10 O ATOM 1501 CB LEU A 125 1.084 -3.004 0.007 1.00 0.08 C ATOM 1502 CG LEU A 125 1.477 -3.021 1.471 1.00 0.08 C ATOM 1503 CD1 LEU A 125 2.378 -4.205 1.774 1.00 0.09 C ATOM 1504 CD2 LEU A 125 2.167 -1.717 1.818 1.00 0.09 C ATOM 0 H LEU A 125 -1.236 -3.652 0.017 1.00 0.08 H new ATOM 0 HA LEU A 125 0.044 -1.176 0.382 1.00 0.08 H new ATOM 0 HB2 LEU A 125 0.754 -4.002 -0.283 1.00 0.08 H new ATOM 0 HB3 LEU A 125 1.964 -2.773 -0.593 1.00 0.08 H new ATOM 0 HG LEU A 125 0.580 -3.125 2.081 1.00 0.08 H new ATOM 0 HD11 LEU A 125 2.647 -4.196 2.830 1.00 0.09 H new ATOM 0 HD12 LEU A 125 1.853 -5.131 1.541 1.00 0.09 H new ATOM 0 HD13 LEU A 125 3.282 -4.139 1.169 1.00 0.09 H new ATOM 0 HD21 LEU A 125 2.452 -1.725 2.870 1.00 0.09 H new ATOM 0 HD22 LEU A 125 3.059 -1.602 1.202 1.00 0.09 H new ATOM 0 HD23 LEU A 125 1.488 -0.885 1.632 1.00 0.09 H new ATOM 1516 N TRP A 126 -0.236 -2.163 -2.728 1.00 0.09 N ATOM 1517 CA TRP A 126 -0.137 -1.695 -4.102 1.00 0.10 C ATOM 1518 C TRP A 126 -0.944 -0.415 -4.298 1.00 0.11 C ATOM 1519 O TRP A 126 -0.524 0.471 -5.037 1.00 0.14 O ATOM 1520 CB TRP A 126 -0.590 -2.764 -5.105 1.00 0.11 C ATOM 1521 CG TRP A 126 -0.656 -2.233 -6.495 1.00 0.15 C ATOM 1522 CD1 TRP A 126 -1.779 -1.956 -7.207 1.00 0.22 C ATOM 1523 CD2 TRP A 126 0.452 -1.876 -7.322 1.00 0.16 C ATOM 1524 NE1 TRP A 126 -1.438 -1.413 -8.424 1.00 0.25 N ATOM 1525 CE2 TRP A 126 -0.070 -1.361 -8.517 1.00 0.21 C ATOM 1526 CE3 TRP A 126 1.834 -1.934 -7.159 1.00 0.17 C ATOM 1527 CZ2 TRP A 126 0.750 -0.905 -9.545 1.00 0.25 C ATOM 1528 CZ3 TRP A 126 2.647 -1.485 -8.180 1.00 0.22 C ATOM 1529 CH2 TRP A 126 2.102 -0.973 -9.358 1.00 0.25 C ATOM 0 H TRP A 126 -0.631 -3.098 -2.629 1.00 0.09 H new ATOM 0 HA TRP A 126 0.915 -1.483 -4.293 1.00 0.10 H new ATOM 0 HB2 TRP A 126 0.099 -3.608 -5.072 1.00 0.11 H new ATOM 0 HB3 TRP A 126 -1.570 -3.142 -4.814 1.00 0.11 H new ATOM 0 HD1 TRP A 126 -2.789 -2.135 -6.868 1.00 0.22 H new ATOM 0 HE1 TRP A 126 -2.094 -1.100 -9.140 1.00 0.25 H new ATOM 0 HE3 TRP A 126 2.263 -2.324 -6.248 1.00 0.17 H new ATOM 0 HZ2 TRP A 126 0.332 -0.511 -10.459 1.00 0.25 H new ATOM 0 HZ3 TRP A 126 3.720 -1.531 -8.066 1.00 0.22 H new ATOM 0 HH2 TRP A 126 2.762 -0.623 -10.138 1.00 0.25 H new ATOM 1540 N GLU A 127 -2.099 -0.317 -3.647 1.00 0.11 N ATOM 1541 CA GLU A 127 -2.866 0.917 -3.678 1.00 0.12 C ATOM 1542 C GLU A 127 -2.021 2.053 -3.170 1.00 0.12 C ATOM 1543 O GLU A 127 -1.774 2.992 -3.897 1.00 0.14 O ATOM 1544 CB GLU A 127 -4.153 0.837 -2.862 1.00 0.14 C ATOM 1545 CG GLU A 127 -5.404 0.673 -3.711 1.00 0.21 C ATOM 1546 CD GLU A 127 -5.656 1.834 -4.654 1.00 0.75 C ATOM 1547 OE1 GLU A 127 -5.012 1.887 -5.723 1.00 0.84 O ATOM 1548 OE2 GLU A 127 -6.469 2.717 -4.320 1.00 1.43 O ATOM 0 H GLU A 127 -2.518 -1.068 -3.099 1.00 0.11 H new ATOM 0 HA GLU A 127 -3.152 1.087 -4.716 1.00 0.12 H new ATOM 0 HB2 GLU A 127 -4.082 -0.001 -2.169 1.00 0.14 H new ATOM 0 HB3 GLU A 127 -4.248 1.741 -2.260 1.00 0.14 H new ATOM 0 HG2 GLU A 127 -5.320 -0.245 -4.293 1.00 0.21 H new ATOM 0 HG3 GLU A 127 -6.266 0.556 -3.054 1.00 0.21 H new ATOM 1555 N HIS A 128 -1.544 1.970 -1.934 1.00 0.11 N ATOM 1556 CA HIS A 128 -0.717 3.049 -1.417 1.00 0.11 C ATOM 1557 C HIS A 128 0.523 3.216 -2.274 1.00 0.10 C ATOM 1558 O HIS A 128 1.012 4.321 -2.408 1.00 0.11 O ATOM 1559 CB HIS A 128 -0.322 2.861 0.049 1.00 0.11 C ATOM 1560 CG HIS A 128 0.193 4.131 0.681 1.00 0.12 C ATOM 1561 ND1 HIS A 128 0.767 4.182 1.933 1.00 0.14 N ATOM 1562 CD2 HIS A 128 0.192 5.411 0.224 1.00 0.14 C ATOM 1563 CE1 HIS A 128 1.089 5.435 2.221 1.00 0.15 C ATOM 1564 NE2 HIS A 128 0.752 6.197 1.200 1.00 0.15 N ATOM 0 H HIS A 128 -1.708 1.195 -1.291 1.00 0.11 H new ATOM 0 HA HIS A 128 -1.325 3.953 -1.462 1.00 0.11 H new ATOM 0 HB2 HIS A 128 -1.185 2.505 0.611 1.00 0.11 H new ATOM 0 HB3 HIS A 128 0.444 2.089 0.118 1.00 0.11 H new ATOM 0 HD1 HIS A 128 0.920 3.379 2.544 1.00 0.14 H new ATOM 0 HD2 HIS A 128 -0.181 5.748 -0.732 1.00 0.14 H new ATOM 0 HE1 HIS A 128 1.550 5.774 3.137 1.00 0.15 H new ATOM 0 HE2 HIS A 128 0.886 7.207 1.144 1.00 0.15 H new ATOM 1573 N LEU A 129 1.022 2.135 -2.860 1.00 0.10 N ATOM 1574 CA LEU A 129 2.110 2.224 -3.813 1.00 0.12 C ATOM 1575 C LEU A 129 1.708 3.174 -4.922 1.00 0.15 C ATOM 1576 O LEU A 129 2.411 4.139 -5.227 1.00 0.18 O ATOM 1577 CB LEU A 129 2.433 0.827 -4.371 1.00 0.11 C ATOM 1578 CG LEU A 129 3.661 0.737 -5.272 1.00 0.12 C ATOM 1579 CD1 LEU A 129 4.692 1.738 -4.827 1.00 0.15 C ATOM 1580 CD2 LEU A 129 4.260 -0.655 -5.206 1.00 0.13 C ATOM 0 H LEU A 129 0.687 1.187 -2.689 1.00 0.10 H new ATOM 0 HA LEU A 129 3.008 2.605 -3.326 1.00 0.12 H new ATOM 0 HB2 LEU A 129 2.571 0.145 -3.532 1.00 0.11 H new ATOM 0 HB3 LEU A 129 1.568 0.472 -4.932 1.00 0.11 H new ATOM 0 HG LEU A 129 3.357 0.950 -6.297 1.00 0.12 H new ATOM 0 HD11 LEU A 129 5.567 1.670 -5.473 1.00 0.15 H new ATOM 0 HD12 LEU A 129 4.273 2.743 -4.887 1.00 0.15 H new ATOM 0 HD13 LEU A 129 4.983 1.527 -3.798 1.00 0.15 H new ATOM 0 HD21 LEU A 129 5.135 -0.705 -5.853 1.00 0.13 H new ATOM 0 HD22 LEU A 129 4.554 -0.876 -4.180 1.00 0.13 H new ATOM 0 HD23 LEU A 129 3.521 -1.385 -5.537 1.00 0.13 H new ATOM 1592 N GLU A 130 0.535 2.914 -5.462 1.00 0.17 N ATOM 1593 CA GLU A 130 -0.044 3.725 -6.505 1.00 0.23 C ATOM 1594 C GLU A 130 -0.327 5.137 -5.990 1.00 0.25 C ATOM 1595 O GLU A 130 -0.105 6.122 -6.685 1.00 0.37 O ATOM 1596 CB GLU A 130 -1.334 3.042 -7.003 1.00 0.27 C ATOM 1597 CG GLU A 130 -2.082 3.763 -8.114 1.00 0.69 C ATOM 1598 CD GLU A 130 -1.436 3.607 -9.475 1.00 1.22 C ATOM 1599 OE1 GLU A 130 -1.293 2.455 -9.939 1.00 1.80 O ATOM 1600 OE2 GLU A 130 -1.103 4.631 -10.102 1.00 1.73 O ATOM 0 H GLU A 130 -0.047 2.124 -5.184 1.00 0.17 H new ATOM 0 HA GLU A 130 0.655 3.817 -7.336 1.00 0.23 H new ATOM 0 HB2 GLU A 130 -1.080 2.041 -7.352 1.00 0.27 H new ATOM 0 HB3 GLU A 130 -2.009 2.922 -6.156 1.00 0.27 H new ATOM 0 HG2 GLU A 130 -3.103 3.384 -8.159 1.00 0.69 H new ATOM 0 HG3 GLU A 130 -2.146 4.823 -7.870 1.00 0.69 H new ATOM 1607 N ILE A 131 -0.809 5.216 -4.763 1.00 0.20 N ATOM 1608 CA ILE A 131 -1.096 6.483 -4.112 1.00 0.21 C ATOM 1609 C ILE A 131 0.185 7.326 -3.901 1.00 0.22 C ATOM 1610 O ILE A 131 0.207 8.511 -4.196 1.00 0.27 O ATOM 1611 CB ILE A 131 -1.824 6.259 -2.763 1.00 0.21 C ATOM 1612 CG1 ILE A 131 -3.343 6.050 -2.944 1.00 0.23 C ATOM 1613 CG2 ILE A 131 -1.608 7.443 -1.837 1.00 0.23 C ATOM 1614 CD1 ILE A 131 -3.756 5.016 -3.972 1.00 0.23 C ATOM 0 H ILE A 131 -1.014 4.400 -4.187 1.00 0.20 H new ATOM 0 HA ILE A 131 -1.755 7.043 -4.776 1.00 0.21 H new ATOM 0 HB ILE A 131 -1.398 5.354 -2.329 1.00 0.21 H new ATOM 0 HG12 ILE A 131 -3.767 5.765 -1.981 1.00 0.23 H new ATOM 0 HG13 ILE A 131 -3.790 7.005 -3.219 1.00 0.23 H new ATOM 0 HG21 ILE A 131 -2.127 7.267 -0.895 1.00 0.23 H new ATOM 0 HG22 ILE A 131 -0.542 7.566 -1.647 1.00 0.23 H new ATOM 0 HG23 ILE A 131 -2.000 8.346 -2.304 1.00 0.23 H new ATOM 0 HD11 ILE A 131 -4.844 4.956 -4.011 1.00 0.23 H new ATOM 0 HD12 ILE A 131 -3.373 5.303 -4.951 1.00 0.23 H new ATOM 0 HD13 ILE A 131 -3.349 4.044 -3.694 1.00 0.23 H new ATOM 1626 N LEU A 132 1.259 6.722 -3.397 1.00 0.18 N ATOM 1627 CA LEU A 132 2.508 7.469 -3.163 1.00 0.20 C ATOM 1628 C LEU A 132 2.954 8.137 -4.441 1.00 0.25 C ATOM 1629 O LEU A 132 3.398 9.287 -4.452 1.00 0.29 O ATOM 1630 CB LEU A 132 3.648 6.568 -2.710 1.00 0.21 C ATOM 1631 CG LEU A 132 3.352 5.640 -1.553 1.00 0.21 C ATOM 1632 CD1 LEU A 132 3.996 4.309 -1.851 1.00 0.23 C ATOM 1633 CD2 LEU A 132 3.880 6.193 -0.234 1.00 0.25 C ATOM 0 H LEU A 132 1.298 5.735 -3.144 1.00 0.18 H new ATOM 0 HA LEU A 132 2.290 8.195 -2.380 1.00 0.20 H new ATOM 0 HB2 LEU A 132 3.965 5.964 -3.560 1.00 0.21 H new ATOM 0 HB3 LEU A 132 4.493 7.199 -2.435 1.00 0.21 H new ATOM 0 HG LEU A 132 2.272 5.535 -1.444 1.00 0.21 H new ATOM 0 HD11 LEU A 132 3.799 3.618 -1.032 1.00 0.23 H new ATOM 0 HD12 LEU A 132 3.583 3.904 -2.775 1.00 0.23 H new ATOM 0 HD13 LEU A 132 5.072 4.442 -1.962 1.00 0.23 H new ATOM 0 HD21 LEU A 132 3.647 5.497 0.572 1.00 0.25 H new ATOM 0 HD22 LEU A 132 4.960 6.323 -0.300 1.00 0.25 H new ATOM 0 HD23 LEU A 132 3.411 7.155 -0.029 1.00 0.25 H new ATOM 1645 N GLN A 133 2.809 7.403 -5.526 1.00 0.28 N ATOM 1646 CA GLN A 133 3.237 7.891 -6.806 1.00 0.38 C ATOM 1647 C GLN A 133 2.178 8.832 -7.361 1.00 0.37 C ATOM 1648 O GLN A 133 2.503 9.763 -8.088 1.00 0.47 O ATOM 1649 CB GLN A 133 3.563 6.729 -7.756 1.00 0.58 C ATOM 1650 CG GLN A 133 2.365 6.026 -8.373 1.00 0.79 C ATOM 1651 CD GLN A 133 2.629 4.553 -8.643 1.00 0.65 C ATOM 1652 OE1 GLN A 133 3.336 3.893 -7.732 1.00 1.22 O flip ATOM 1653 NE2 GLN A 133 2.167 4.001 -9.636 1.00 0.31 N flip ATOM 0 H GLN A 133 2.398 6.469 -5.539 1.00 0.28 H new ATOM 0 HA GLN A 133 4.162 8.457 -6.698 1.00 0.38 H new ATOM 0 HB2 GLN A 133 4.193 7.108 -8.561 1.00 0.58 H new ATOM 0 HB3 GLN A 133 4.152 5.992 -7.210 1.00 0.58 H new ATOM 0 HG2 GLN A 133 1.508 6.122 -7.706 1.00 0.79 H new ATOM 0 HG3 GLN A 133 2.099 6.521 -9.307 1.00 0.79 H new ATOM 0 HE21 GLN A 133 1.629 4.539 -10.315 1.00 0.31 H new ATOM 0 HE22 GLN A 133 2.321 3.003 -9.783 1.00 0.31 H new