USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 595 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 37 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00851) USER MOD Single : A 42 CYS SG : rot 180:sc= -0.199 USER MOD Single : A 44 SER OG : rot 180:sc= 0.152 USER MOD Single : A 50 HIS : no HD1:sc= -0.309 X(o=-0.31,f=0.068) USER MOD Single : A 52 HIS : no HD1:sc= -3.08 K(o=-3.1,f=-4.4!) USER MOD Single : A 56 LYS NZ :NH3+ 171:sc= -0.011 (180deg=-0.11) USER MOD Single : A 59 HIS : no HD1:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : B 98 LYS NZ :NH3+ -168:sc= -0.0289 (180deg=-0.207) USER MOD Single : B 103 CYS SG : rot 180:sc= 0 USER MOD Single : B 105 SER OG : rot 180:sc= 0 USER MOD Single : B 111 HIS : no HD1:sc= -1.27 K(o=-1.3,f=0.38) USER MOD Single : B 113 HIS : no HD1:sc= -2.04 K(o=-2,f=-4.6!) USER MOD Single : B 117 LYS NZ :NH3+ -175:sc= 0.806 (180deg=0.791) USER MOD Single : B 120 HIS : no HD1:sc= 0 X(o=0,f=-0.076) USER MOD ----------------------------------------------------------------- ATOM 185 N CYS A 13 -16.728 -7.855 -5.802 1.00 0.00 N ATOM 186 CA CYS A 13 -15.779 -6.864 -5.279 1.00 0.00 C ATOM 187 C CYS A 13 -14.756 -6.433 -6.332 1.00 0.00 C ATOM 188 O CYS A 13 -13.712 -5.873 -6.002 1.00 0.00 O ATOM 189 CB CYS A 13 -15.064 -7.415 -4.043 1.00 0.00 C ATOM 190 SG CYS A 13 -16.197 -8.169 -2.831 1.00 0.00 S ATOM 0 HA CYS A 13 -16.353 -5.980 -5.001 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -14.332 -8.159 -4.357 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -14.512 -6.608 -3.561 1.00 0.00 H new ATOM 195 N ALA A 14 -15.058 -6.688 -7.602 1.00 0.00 N ATOM 196 CA ALA A 14 -14.159 -6.326 -8.688 1.00 0.00 C ATOM 197 C ALA A 14 -14.438 -4.921 -9.214 1.00 0.00 C ATOM 198 O ALA A 14 -14.187 -4.627 -10.382 1.00 0.00 O ATOM 199 CB ALA A 14 -14.258 -7.339 -9.818 1.00 0.00 C ATOM 0 H ALA A 14 -15.919 -7.144 -7.902 1.00 0.00 H new ATOM 0 HA ALA A 14 -13.145 -6.333 -8.288 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.580 -7.054 -10.622 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.985 -8.327 -9.446 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -15.280 -7.363 -10.197 1.00 0.00 H new ATOM 205 N ALA A 15 -14.953 -4.054 -8.351 1.00 0.00 N ATOM 206 CA ALA A 15 -15.258 -2.684 -8.742 1.00 0.00 C ATOM 207 C ALA A 15 -14.274 -1.704 -8.112 1.00 0.00 C ATOM 208 O ALA A 15 -13.193 -1.468 -8.645 1.00 0.00 O ATOM 209 CB ALA A 15 -16.691 -2.331 -8.360 1.00 0.00 C ATOM 0 H ALA A 15 -15.168 -4.275 -7.379 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.159 -2.607 -9.825 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.905 -1.305 -8.658 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -17.380 -3.007 -8.867 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.815 -2.429 -7.281 1.00 0.00 H new ATOM 215 N ALA A 16 -14.654 -1.138 -6.969 1.00 0.00 N ATOM 216 CA ALA A 16 -13.806 -0.179 -6.265 1.00 0.00 C ATOM 217 C ALA A 16 -12.628 -0.859 -5.567 1.00 0.00 C ATOM 218 O ALA A 16 -11.818 -0.196 -4.927 1.00 0.00 O ATOM 219 CB ALA A 16 -14.629 0.609 -5.254 1.00 0.00 C ATOM 0 H ALA A 16 -15.545 -1.327 -6.510 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.397 0.503 -7.011 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.985 1.320 -4.736 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.422 1.148 -5.772 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.069 -0.076 -4.530 1.00 0.00 H new ATOM 225 N ILE A 17 -12.542 -2.176 -5.687 1.00 0.00 N ATOM 226 CA ILE A 17 -11.466 -2.933 -5.061 1.00 0.00 C ATOM 227 C ILE A 17 -10.472 -3.441 -6.100 1.00 0.00 C ATOM 228 O ILE A 17 -9.303 -3.062 -6.076 1.00 0.00 O ATOM 229 CB ILE A 17 -12.050 -4.088 -4.217 1.00 0.00 C ATOM 230 CG1 ILE A 17 -12.665 -3.504 -2.950 1.00 0.00 C ATOM 231 CG2 ILE A 17 -11.002 -5.137 -3.863 1.00 0.00 C ATOM 232 CD1 ILE A 17 -13.500 -4.493 -2.171 1.00 0.00 C ATOM 0 H ILE A 17 -13.206 -2.744 -6.213 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.916 -2.270 -4.393 1.00 0.00 H new ATOM 0 HB ILE A 17 -12.810 -4.596 -4.811 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.867 -3.130 -2.308 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -13.286 -2.649 -3.218 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.463 -5.927 -3.270 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -10.591 -5.564 -4.778 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -10.201 -4.672 -3.288 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -13.905 -4.007 -1.283 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -14.319 -4.849 -2.796 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.879 -5.337 -1.871 1.00 0.00 H new ATOM 244 N ALA A 18 -10.938 -4.277 -7.023 1.00 0.00 N ATOM 245 CA ALA A 18 -10.070 -4.803 -8.072 1.00 0.00 C ATOM 246 C ALA A 18 -9.645 -3.691 -9.021 1.00 0.00 C ATOM 247 O ALA A 18 -8.545 -3.714 -9.572 1.00 0.00 O ATOM 248 CB ALA A 18 -10.764 -5.916 -8.840 1.00 0.00 C ATOM 0 H ALA A 18 -11.904 -4.603 -7.067 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.179 -5.217 -7.599 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -10.098 -6.292 -9.616 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -11.019 -6.726 -8.156 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -11.674 -5.529 -9.299 1.00 0.00 H new ATOM 254 N GLY A 19 -10.525 -2.709 -9.191 1.00 0.00 N ATOM 255 CA GLY A 19 -10.232 -1.584 -10.056 1.00 0.00 C ATOM 256 C GLY A 19 -9.316 -0.587 -9.383 1.00 0.00 C ATOM 257 O GLY A 19 -8.649 0.208 -10.047 1.00 0.00 O ATOM 0 H GLY A 19 -11.440 -2.674 -8.742 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.768 -1.942 -10.975 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.162 -1.091 -10.340 1.00 0.00 H new ATOM 261 N ALA A 20 -9.270 -0.642 -8.053 1.00 0.00 N ATOM 262 CA ALA A 20 -8.417 0.245 -7.280 1.00 0.00 C ATOM 263 C ALA A 20 -6.975 -0.234 -7.343 1.00 0.00 C ATOM 264 O ALA A 20 -6.036 0.542 -7.152 1.00 0.00 O ATOM 265 CB ALA A 20 -8.890 0.324 -5.840 1.00 0.00 C ATOM 0 H ALA A 20 -9.817 -1.295 -7.491 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.474 1.245 -7.710 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.238 0.993 -5.279 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.911 0.705 -5.813 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.862 -0.670 -5.393 1.00 0.00 H new ATOM 271 N VAL A 21 -6.811 -1.520 -7.635 1.00 0.00 N ATOM 272 CA VAL A 21 -5.508 -2.126 -7.761 1.00 0.00 C ATOM 273 C VAL A 21 -4.768 -1.508 -8.946 1.00 0.00 C ATOM 274 O VAL A 21 -3.591 -1.158 -8.850 1.00 0.00 O ATOM 275 CB VAL A 21 -5.661 -3.651 -7.952 1.00 0.00 C ATOM 276 CG1 VAL A 21 -4.330 -4.302 -8.231 1.00 0.00 C ATOM 277 CG2 VAL A 21 -6.304 -4.282 -6.725 1.00 0.00 C ATOM 0 H VAL A 21 -7.585 -2.165 -7.790 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.930 -1.944 -6.855 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.308 -3.814 -8.814 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.470 -5.375 -8.361 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.902 -3.879 -9.140 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.655 -4.123 -7.394 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.404 -5.357 -6.878 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.680 -4.096 -5.851 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.290 -3.845 -6.566 1.00 0.00 H new ATOM 287 N ALA A 22 -5.485 -1.352 -10.054 1.00 0.00 N ATOM 288 CA ALA A 22 -4.925 -0.760 -11.259 1.00 0.00 C ATOM 289 C ALA A 22 -4.729 0.749 -11.099 1.00 0.00 C ATOM 290 O ALA A 22 -4.005 1.375 -11.868 1.00 0.00 O ATOM 291 CB ALA A 22 -5.824 -1.056 -12.449 1.00 0.00 C ATOM 0 H ALA A 22 -6.462 -1.630 -10.140 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.945 -1.204 -11.433 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.398 -0.609 -13.347 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.906 -2.135 -12.584 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.814 -0.637 -12.270 1.00 0.00 H new ATOM 297 N ALA A 23 -5.380 1.327 -10.092 1.00 0.00 N ATOM 298 CA ALA A 23 -5.275 2.758 -9.830 1.00 0.00 C ATOM 299 C ALA A 23 -3.951 3.097 -9.149 1.00 0.00 C ATOM 300 O ALA A 23 -3.292 4.069 -9.509 1.00 0.00 O ATOM 301 CB ALA A 23 -6.444 3.235 -8.977 1.00 0.00 C ATOM 0 H ALA A 23 -5.986 0.824 -9.444 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.307 3.276 -10.789 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.347 4.305 -8.793 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.380 3.040 -9.501 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.442 2.702 -8.026 1.00 0.00 H new ATOM 307 N CYS A 24 -3.572 2.296 -8.156 1.00 0.00 N ATOM 308 CA CYS A 24 -2.328 2.525 -7.425 1.00 0.00 C ATOM 309 C CYS A 24 -1.151 1.876 -8.142 1.00 0.00 C ATOM 310 O CYS A 24 -0.014 2.341 -8.046 1.00 0.00 O ATOM 311 CB CYS A 24 -2.435 1.981 -5.998 1.00 0.00 C ATOM 312 SG CYS A 24 -1.061 2.481 -4.909 1.00 0.00 S ATOM 0 H CYS A 24 -4.106 1.486 -7.840 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.157 3.601 -7.380 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.374 2.320 -5.560 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.476 0.892 -6.037 1.00 0.00 H new ATOM 317 N GLY A 25 -1.424 0.798 -8.863 1.00 0.00 N ATOM 318 CA GLY A 25 -0.371 0.109 -9.580 1.00 0.00 C ATOM 319 C GLY A 25 0.054 -1.167 -8.885 1.00 0.00 C ATOM 320 O GLY A 25 1.239 -1.499 -8.855 1.00 0.00 O ATOM 0 H GLY A 25 -2.353 0.389 -8.964 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.713 -0.125 -10.588 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.490 0.770 -9.681 1.00 0.00 H new ATOM 324 N GLY A 26 -0.912 -1.877 -8.321 1.00 0.00 N ATOM 325 CA GLY A 26 -0.616 -3.111 -7.626 1.00 0.00 C ATOM 326 C GLY A 26 -1.526 -3.322 -6.440 1.00 0.00 C ATOM 327 O GLY A 26 -2.204 -2.394 -5.998 1.00 0.00 O ATOM 0 H GLY A 26 -1.899 -1.619 -8.333 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.718 -3.949 -8.315 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.421 -3.099 -7.290 1.00 0.00 H new ATOM 331 N ILE A 27 -1.541 -4.537 -5.916 1.00 0.00 N ATOM 332 CA ILE A 27 -2.373 -4.852 -4.767 1.00 0.00 C ATOM 333 C ILE A 27 -1.562 -4.741 -3.477 1.00 0.00 C ATOM 334 O ILE A 27 -0.669 -5.549 -3.211 1.00 0.00 O ATOM 335 CB ILE A 27 -3.014 -6.260 -4.897 1.00 0.00 C ATOM 336 CG1 ILE A 27 -3.726 -6.665 -3.603 1.00 0.00 C ATOM 337 CG2 ILE A 27 -1.980 -7.310 -5.281 1.00 0.00 C ATOM 338 CD1 ILE A 27 -4.908 -5.787 -3.256 1.00 0.00 C ATOM 0 H ILE A 27 -0.988 -5.319 -6.267 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.185 -4.126 -4.732 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.754 -6.205 -5.695 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.066 -7.697 -3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.010 -6.636 -2.781 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.463 -8.284 -5.363 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.531 -7.046 -6.238 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.204 -7.353 -4.516 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.360 -6.136 -2.328 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.572 -4.757 -3.132 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.644 -5.834 -4.058 1.00 0.00 H new ATOM 350 N ASP A 28 -1.862 -3.721 -2.684 1.00 0.00 N ATOM 351 CA ASP A 28 -1.149 -3.506 -1.434 1.00 0.00 C ATOM 352 C ASP A 28 -2.116 -3.336 -0.268 1.00 0.00 C ATOM 353 O ASP A 28 -1.932 -3.988 0.758 1.00 0.00 O ATOM 354 CB ASP A 28 -0.204 -2.295 -1.534 1.00 0.00 C ATOM 355 CG ASP A 28 -0.920 -0.977 -1.750 1.00 0.00 C ATOM 356 OD1 ASP A 28 -1.765 -0.898 -2.658 1.00 0.00 O ATOM 357 OD2 ASP A 28 -0.629 -0.019 -1.014 1.00 0.00 O ATOM 0 H ASP A 28 -2.589 -3.034 -2.883 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.545 -4.394 -1.246 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.388 -2.231 -0.621 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.494 -2.457 -2.355 1.00 0.00 H new ATOM 362 N LEU A 29 -3.112 -2.435 -0.446 1.00 0.00 N ATOM 363 CA LEU A 29 -4.151 -2.096 0.564 1.00 0.00 C ATOM 364 C LEU A 29 -3.917 -0.699 1.181 1.00 0.00 C ATOM 365 O LEU A 29 -4.826 0.127 1.139 1.00 0.00 O ATOM 366 CB LEU A 29 -4.330 -3.196 1.634 1.00 0.00 C ATOM 367 CG LEU A 29 -5.144 -2.849 2.894 1.00 0.00 C ATOM 368 CD1 LEU A 29 -6.532 -2.301 2.573 1.00 0.00 C ATOM 369 CD2 LEU A 29 -5.283 -4.090 3.757 1.00 0.00 C ATOM 0 H LEU A 29 -3.220 -1.911 -1.314 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.100 -2.050 0.030 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.803 -4.054 1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.338 -3.516 1.954 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.602 -2.064 3.422 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.057 -2.075 3.501 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.436 -1.392 1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.095 -3.044 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.859 -3.849 4.651 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.796 -4.869 3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.294 -4.444 4.047 1.00 0.00 H new ATOM 381 N PRO A 30 -2.720 -0.381 1.753 1.00 0.00 N ATOM 382 CA PRO A 30 -2.454 0.946 2.340 1.00 0.00 C ATOM 383 C PRO A 30 -2.733 2.087 1.373 1.00 0.00 C ATOM 384 O PRO A 30 -3.204 3.152 1.770 1.00 0.00 O ATOM 385 CB PRO A 30 -0.960 0.916 2.686 1.00 0.00 C ATOM 386 CG PRO A 30 -0.410 -0.272 1.976 1.00 0.00 C ATOM 387 CD PRO A 30 -1.543 -1.249 1.880 1.00 0.00 C ATOM 0 HA PRO A 30 -3.102 1.126 3.198 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.464 1.831 2.362 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.808 0.835 3.762 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.042 -0.001 0.986 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.431 -0.700 2.522 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.434 -1.909 1.020 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.604 -1.884 2.764 1.00 0.00 H new ATOM 395 N CYS A 31 -2.435 1.867 0.109 1.00 0.00 N ATOM 396 CA CYS A 31 -2.655 2.881 -0.894 1.00 0.00 C ATOM 397 C CYS A 31 -4.016 2.696 -1.559 1.00 0.00 C ATOM 398 O CYS A 31 -4.697 3.666 -1.896 1.00 0.00 O ATOM 399 CB CYS A 31 -1.537 2.840 -1.942 1.00 0.00 C ATOM 400 SG CYS A 31 -1.929 3.677 -3.515 1.00 0.00 S ATOM 0 H CYS A 31 -2.041 0.996 -0.245 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.643 3.856 -0.407 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -0.643 3.297 -1.517 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.294 1.799 -2.152 1.00 0.00 H new ATOM 405 N VAL A 32 -4.406 1.440 -1.746 1.00 0.00 N ATOM 406 CA VAL A 32 -5.667 1.103 -2.371 1.00 0.00 C ATOM 407 C VAL A 32 -6.872 1.573 -1.545 1.00 0.00 C ATOM 408 O VAL A 32 -7.948 1.808 -2.099 1.00 0.00 O ATOM 409 CB VAL A 32 -5.739 -0.422 -2.599 1.00 0.00 C ATOM 410 CG1 VAL A 32 -7.080 -0.827 -3.154 1.00 0.00 C ATOM 411 CG2 VAL A 32 -4.637 -0.873 -3.541 1.00 0.00 C ATOM 0 H VAL A 32 -3.852 0.631 -1.466 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.713 1.625 -3.327 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.604 -0.907 -1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.101 -1.906 -3.304 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.865 -0.543 -2.453 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.246 -0.325 -4.107 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.704 -1.951 -3.690 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.748 -0.367 -4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.667 -0.626 -3.111 1.00 0.00 H new ATOM 421 N LEU A 33 -6.701 1.712 -0.227 1.00 0.00 N ATOM 422 CA LEU A 33 -7.799 2.146 0.638 1.00 0.00 C ATOM 423 C LEU A 33 -8.349 3.507 0.193 1.00 0.00 C ATOM 424 O LEU A 33 -9.543 3.779 0.327 1.00 0.00 O ATOM 425 CB LEU A 33 -7.362 2.190 2.120 1.00 0.00 C ATOM 426 CG LEU A 33 -6.459 3.363 2.552 1.00 0.00 C ATOM 427 CD1 LEU A 33 -7.283 4.590 2.921 1.00 0.00 C ATOM 428 CD2 LEU A 33 -5.599 2.960 3.733 1.00 0.00 C ATOM 0 H LEU A 33 -5.822 1.532 0.259 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.599 1.411 0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.260 2.210 2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.840 1.260 2.346 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.821 3.616 1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.617 5.399 3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.872 4.905 2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.951 4.345 3.747 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.967 3.799 4.026 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.239 2.678 4.569 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.972 2.113 3.454 1.00 0.00 H new ATOM 440 N ALA A 34 -7.468 4.360 -0.331 1.00 0.00 N ATOM 441 CA ALA A 34 -7.859 5.692 -0.785 1.00 0.00 C ATOM 442 C ALA A 34 -8.620 5.636 -2.101 1.00 0.00 C ATOM 443 O ALA A 34 -9.568 6.392 -2.314 1.00 0.00 O ATOM 444 CB ALA A 34 -6.633 6.577 -0.937 1.00 0.00 C ATOM 0 H ALA A 34 -6.477 4.150 -0.451 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.522 6.115 -0.030 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.939 7.567 -1.276 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.125 6.663 0.024 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.955 6.137 -1.668 1.00 0.00 H new ATOM 450 N ALA A 35 -8.193 4.740 -2.983 1.00 0.00 N ATOM 451 CA ALA A 35 -8.828 4.587 -4.286 1.00 0.00 C ATOM 452 C ALA A 35 -10.153 3.839 -4.177 1.00 0.00 C ATOM 453 O ALA A 35 -10.945 3.821 -5.119 1.00 0.00 O ATOM 454 CB ALA A 35 -7.894 3.870 -5.252 1.00 0.00 C ATOM 0 H ALA A 35 -7.409 4.108 -2.819 1.00 0.00 H new ATOM 0 HA ALA A 35 -9.038 5.585 -4.672 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.383 3.764 -6.220 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.978 4.449 -5.370 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -7.651 2.883 -4.858 1.00 0.00 H new ATOM 460 N LEU A 36 -10.390 3.217 -3.032 1.00 0.00 N ATOM 461 CA LEU A 36 -11.619 2.467 -2.819 1.00 0.00 C ATOM 462 C LEU A 36 -12.694 3.334 -2.159 1.00 0.00 C ATOM 463 O LEU A 36 -13.862 3.263 -2.542 1.00 0.00 O ATOM 464 CB LEU A 36 -11.326 1.200 -1.996 1.00 0.00 C ATOM 465 CG LEU A 36 -12.243 0.940 -0.796 1.00 0.00 C ATOM 466 CD1 LEU A 36 -12.811 -0.467 -0.857 1.00 0.00 C ATOM 467 CD2 LEU A 36 -11.479 1.141 0.504 1.00 0.00 C ATOM 0 H LEU A 36 -9.750 3.216 -2.238 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.012 2.161 -3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.383 0.339 -2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.299 1.257 -1.635 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.069 1.650 -0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.460 -0.635 0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -13.386 -0.588 -1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.995 -1.190 -0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.142 0.953 1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.638 0.449 0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.109 2.165 0.554 1.00 0.00 H new ATOM 479 N LYS A 37 -12.288 4.145 -1.174 1.00 0.00 N ATOM 480 CA LYS A 37 -13.207 5.030 -0.444 1.00 0.00 C ATOM 481 C LYS A 37 -14.364 4.221 0.149 1.00 0.00 C ATOM 482 O LYS A 37 -15.474 4.212 -0.390 1.00 0.00 O ATOM 483 CB LYS A 37 -13.758 6.139 -1.355 1.00 0.00 C ATOM 484 CG LYS A 37 -14.357 7.312 -0.587 1.00 0.00 C ATOM 485 CD LYS A 37 -15.610 7.861 -1.268 1.00 0.00 C ATOM 486 CE LYS A 37 -15.316 8.473 -2.631 1.00 0.00 C ATOM 487 NZ LYS A 37 -14.564 9.748 -2.526 1.00 0.00 N ATOM 0 H LYS A 37 -11.319 4.207 -0.861 1.00 0.00 H new ATOM 0 HA LYS A 37 -12.645 5.500 0.363 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.955 6.505 -1.995 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.520 5.716 -2.010 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.604 6.994 0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.615 8.105 -0.500 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.337 7.058 -1.384 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.067 8.615 -0.627 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.743 7.764 -3.229 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -16.254 8.649 -3.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.432 10.152 -3.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.097 10.418 -1.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.635 9.569 -2.094 1.00 0.00 H new ATOM 501 N ALA A 38 -14.095 3.529 1.248 1.00 0.00 N ATOM 502 CA ALA A 38 -15.108 2.704 1.891 1.00 0.00 C ATOM 503 C ALA A 38 -15.737 3.403 3.084 1.00 0.00 C ATOM 504 O ALA A 38 -15.049 4.033 3.888 1.00 0.00 O ATOM 505 CB ALA A 38 -14.510 1.375 2.327 1.00 0.00 C ATOM 0 H ALA A 38 -13.186 3.523 1.712 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.894 2.526 1.157 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -15.279 0.769 2.806 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -14.123 0.847 1.456 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.699 1.555 3.032 1.00 0.00 H new ATOM 511 N ALA A 39 -17.049 3.265 3.202 1.00 0.00 N ATOM 512 CA ALA A 39 -17.787 3.851 4.307 1.00 0.00 C ATOM 513 C ALA A 39 -18.397 2.740 5.150 1.00 0.00 C ATOM 514 O ALA A 39 -17.704 2.112 5.952 1.00 0.00 O ATOM 515 CB ALA A 39 -18.857 4.802 3.792 1.00 0.00 C ATOM 0 H ALA A 39 -17.627 2.748 2.540 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.107 4.431 4.930 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -19.399 5.231 4.635 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -18.388 5.601 3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -19.552 4.256 3.154 1.00 0.00 H new ATOM 521 N GLU A 40 -19.680 2.471 4.950 1.00 0.00 N ATOM 522 CA GLU A 40 -20.351 1.409 5.682 1.00 0.00 C ATOM 523 C GLU A 40 -20.163 0.071 4.964 1.00 0.00 C ATOM 524 O GLU A 40 -21.051 -0.410 4.256 1.00 0.00 O ATOM 525 CB GLU A 40 -21.837 1.732 5.862 1.00 0.00 C ATOM 526 CG GLU A 40 -22.516 2.265 4.613 1.00 0.00 C ATOM 527 CD GLU A 40 -24.017 2.323 4.759 1.00 0.00 C ATOM 528 OE1 GLU A 40 -24.534 1.897 5.812 1.00 0.00 O ATOM 529 OE2 GLU A 40 -24.684 2.777 3.814 1.00 0.00 O ATOM 0 H GLU A 40 -20.274 2.972 4.289 1.00 0.00 H new ATOM 0 HA GLU A 40 -19.904 1.331 6.673 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -22.356 0.830 6.187 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -21.943 2.466 6.661 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -22.136 3.262 4.393 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -22.260 1.631 3.764 1.00 0.00 H new ATOM 536 N GLY A 41 -18.989 -0.515 5.135 1.00 0.00 N ATOM 537 CA GLY A 41 -18.687 -1.776 4.490 1.00 0.00 C ATOM 538 C GLY A 41 -17.794 -1.582 3.286 1.00 0.00 C ATOM 539 O GLY A 41 -16.761 -0.918 3.385 1.00 0.00 O ATOM 0 H GLY A 41 -18.236 -0.139 5.711 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -18.200 -2.443 5.202 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -19.614 -2.260 4.183 1.00 0.00 H new ATOM 543 N CYS A 42 -18.203 -2.152 2.148 1.00 0.00 N ATOM 544 CA CYS A 42 -17.460 -2.053 0.881 1.00 0.00 C ATOM 545 C CYS A 42 -16.161 -2.859 0.924 1.00 0.00 C ATOM 546 O CYS A 42 -15.949 -3.747 0.101 1.00 0.00 O ATOM 547 CB CYS A 42 -17.159 -0.591 0.522 1.00 0.00 C ATOM 548 SG CYS A 42 -18.520 0.574 0.877 1.00 0.00 S ATOM 0 H CYS A 42 -19.062 -2.698 2.076 1.00 0.00 H new ATOM 0 HA CYS A 42 -18.099 -2.476 0.106 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -16.272 -0.271 1.069 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -16.916 -0.534 -0.539 1.00 0.00 H new ATOM 0 HG CYS A 42 -18.161 1.777 0.539 1.00 0.00 H new ATOM 553 N ALA A 43 -15.296 -2.553 1.886 1.00 0.00 N ATOM 554 CA ALA A 43 -14.026 -3.255 2.032 1.00 0.00 C ATOM 555 C ALA A 43 -14.182 -4.497 2.901 1.00 0.00 C ATOM 556 O ALA A 43 -13.192 -5.077 3.346 1.00 0.00 O ATOM 557 CB ALA A 43 -12.972 -2.331 2.624 1.00 0.00 C ATOM 0 H ALA A 43 -15.453 -1.821 2.578 1.00 0.00 H new ATOM 0 HA ALA A 43 -13.702 -3.571 1.040 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.031 -2.871 2.726 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.829 -1.474 1.966 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -13.300 -1.986 3.604 1.00 0.00 H new ATOM 563 N SER A 44 -15.428 -4.895 3.138 1.00 0.00 N ATOM 564 CA SER A 44 -15.726 -6.065 3.954 1.00 0.00 C ATOM 565 C SER A 44 -15.130 -7.325 3.335 1.00 0.00 C ATOM 566 O SER A 44 -14.522 -8.142 4.025 1.00 0.00 O ATOM 567 CB SER A 44 -17.238 -6.224 4.095 1.00 0.00 C ATOM 568 OG SER A 44 -17.913 -5.025 3.736 1.00 0.00 O ATOM 0 H SER A 44 -16.253 -4.419 2.773 1.00 0.00 H new ATOM 0 HA SER A 44 -15.281 -5.921 4.939 1.00 0.00 H new ATOM 0 HB2 SER A 44 -17.582 -7.042 3.462 1.00 0.00 H new ATOM 0 HB3 SER A 44 -17.485 -6.491 5.123 1.00 0.00 H new ATOM 0 HG SER A 44 -18.880 -5.152 3.833 1.00 0.00 H new ATOM 574 N CYS A 45 -15.299 -7.474 2.026 1.00 0.00 N ATOM 575 CA CYS A 45 -14.763 -8.636 1.320 1.00 0.00 C ATOM 576 C CYS A 45 -13.282 -8.453 1.042 1.00 0.00 C ATOM 577 O CYS A 45 -12.515 -9.415 1.017 1.00 0.00 O ATOM 578 CB CYS A 45 -15.499 -8.862 0.004 1.00 0.00 C ATOM 579 SG CYS A 45 -15.633 -7.386 -1.050 1.00 0.00 S ATOM 0 H CYS A 45 -15.799 -6.811 1.434 1.00 0.00 H new ATOM 0 HA CYS A 45 -14.906 -9.507 1.959 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -14.987 -9.646 -0.554 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -16.502 -9.229 0.222 1.00 0.00 H new ATOM 584 N PHE A 46 -12.903 -7.205 0.828 1.00 0.00 N ATOM 585 CA PHE A 46 -11.526 -6.840 0.542 1.00 0.00 C ATOM 586 C PHE A 46 -10.617 -7.254 1.684 1.00 0.00 C ATOM 587 O PHE A 46 -9.697 -8.054 1.510 1.00 0.00 O ATOM 588 CB PHE A 46 -11.458 -5.328 0.341 1.00 0.00 C ATOM 589 CG PHE A 46 -10.174 -4.811 -0.233 1.00 0.00 C ATOM 590 CD1 PHE A 46 -9.008 -5.561 -0.224 1.00 0.00 C ATOM 591 CD2 PHE A 46 -10.147 -3.553 -0.789 1.00 0.00 C ATOM 592 CE1 PHE A 46 -7.843 -5.057 -0.760 1.00 0.00 C ATOM 593 CE2 PHE A 46 -8.996 -3.044 -1.327 1.00 0.00 C ATOM 594 CZ PHE A 46 -7.835 -3.796 -1.314 1.00 0.00 C ATOM 0 H PHE A 46 -13.545 -6.412 0.848 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.191 -7.354 -0.359 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.275 -5.029 -0.315 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -11.627 -4.843 1.302 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -9.013 -6.551 0.208 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -11.048 -2.958 -0.801 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.940 -5.649 -0.746 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.994 -2.055 -1.762 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.925 -3.396 -1.737 1.00 0.00 H new ATOM 604 N CYS A 47 -10.881 -6.697 2.847 1.00 0.00 N ATOM 605 CA CYS A 47 -10.101 -6.985 4.030 1.00 0.00 C ATOM 606 C CYS A 47 -10.527 -8.292 4.659 1.00 0.00 C ATOM 607 O CYS A 47 -10.825 -8.338 5.832 1.00 0.00 O ATOM 608 CB CYS A 47 -10.278 -5.871 5.049 1.00 0.00 C ATOM 609 SG CYS A 47 -9.844 -4.220 4.432 1.00 0.00 S ATOM 0 H CYS A 47 -11.641 -6.033 2.998 1.00 0.00 H new ATOM 0 HA CYS A 47 -9.056 -7.060 3.731 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -11.316 -5.861 5.382 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.665 -6.093 5.923 1.00 0.00 H new ATOM 614 N GLU A 48 -10.566 -9.353 3.891 1.00 0.00 N ATOM 615 CA GLU A 48 -10.967 -10.634 4.439 1.00 0.00 C ATOM 616 C GLU A 48 -9.801 -11.238 5.213 1.00 0.00 C ATOM 617 O GLU A 48 -9.891 -11.488 6.415 1.00 0.00 O ATOM 618 CB GLU A 48 -11.400 -11.576 3.312 1.00 0.00 C ATOM 619 CG GLU A 48 -12.071 -12.858 3.785 1.00 0.00 C ATOM 620 CD GLU A 48 -13.472 -12.636 4.301 1.00 0.00 C ATOM 621 OE1 GLU A 48 -13.639 -11.895 5.288 1.00 0.00 O ATOM 622 OE2 GLU A 48 -14.413 -13.198 3.710 1.00 0.00 O ATOM 0 H GLU A 48 -10.330 -9.361 2.899 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.811 -10.492 5.114 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.086 -11.043 2.653 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.525 -11.837 2.717 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.102 -13.570 2.961 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.467 -13.308 4.573 1.00 0.00 H new ATOM 629 N ASP A 49 -8.697 -11.451 4.509 1.00 0.00 N ATOM 630 CA ASP A 49 -7.494 -12.003 5.116 1.00 0.00 C ATOM 631 C ASP A 49 -6.504 -10.875 5.385 1.00 0.00 C ATOM 632 O ASP A 49 -5.527 -11.035 6.117 1.00 0.00 O ATOM 633 CB ASP A 49 -6.877 -13.063 4.196 1.00 0.00 C ATOM 634 CG ASP A 49 -5.736 -13.810 4.847 1.00 0.00 C ATOM 635 OD1 ASP A 49 -5.932 -14.352 5.953 1.00 0.00 O ATOM 636 OD2 ASP A 49 -4.649 -13.875 4.242 1.00 0.00 O ATOM 0 H ASP A 49 -8.610 -11.249 3.513 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.748 -12.484 6.061 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.648 -13.774 3.899 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.519 -12.583 3.285 1.00 0.00 H new ATOM 641 N HIS A 50 -6.785 -9.723 4.790 1.00 0.00 N ATOM 642 CA HIS A 50 -5.951 -8.536 4.950 1.00 0.00 C ATOM 643 C HIS A 50 -6.555 -7.648 6.036 1.00 0.00 C ATOM 644 O HIS A 50 -7.219 -6.652 5.741 1.00 0.00 O ATOM 645 CB HIS A 50 -5.872 -7.763 3.624 1.00 0.00 C ATOM 646 CG HIS A 50 -5.801 -8.642 2.407 1.00 0.00 C ATOM 647 ND1 HIS A 50 -4.799 -9.567 2.203 1.00 0.00 N ATOM 648 CD2 HIS A 50 -6.625 -8.742 1.333 1.00 0.00 C ATOM 649 CE1 HIS A 50 -5.007 -10.198 1.060 1.00 0.00 C ATOM 650 NE2 HIS A 50 -6.109 -9.717 0.513 1.00 0.00 N ATOM 0 H HIS A 50 -7.594 -9.584 4.185 1.00 0.00 H new ATOM 0 HA HIS A 50 -4.943 -8.834 5.238 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -6.744 -7.115 3.541 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -4.995 -7.116 3.644 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -7.519 -8.163 1.156 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -4.382 -10.975 0.644 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -6.512 -10.020 -0.374 1.00 0.00 H new ATOM 658 N CYS A 51 -6.372 -8.038 7.293 1.00 0.00 N ATOM 659 CA CYS A 51 -6.956 -7.295 8.409 1.00 0.00 C ATOM 660 C CYS A 51 -5.927 -6.709 9.361 1.00 0.00 C ATOM 661 O CYS A 51 -6.264 -6.402 10.501 1.00 0.00 O ATOM 662 CB CYS A 51 -7.873 -8.212 9.215 1.00 0.00 C ATOM 663 SG CYS A 51 -9.376 -8.723 8.338 1.00 0.00 S ATOM 0 H CYS A 51 -5.829 -8.857 7.566 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.502 -6.465 7.960 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -7.314 -9.102 9.504 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -8.159 -7.703 10.135 1.00 0.00 H new ATOM 668 N HIS A 52 -4.685 -6.557 8.941 1.00 0.00 N ATOM 669 CA HIS A 52 -3.686 -6.018 9.847 1.00 0.00 C ATOM 670 C HIS A 52 -2.994 -4.768 9.305 1.00 0.00 C ATOM 671 O HIS A 52 -2.443 -3.985 10.076 1.00 0.00 O ATOM 672 CB HIS A 52 -2.668 -7.096 10.248 1.00 0.00 C ATOM 673 CG HIS A 52 -2.020 -7.826 9.110 1.00 0.00 C ATOM 674 ND1 HIS A 52 -2.721 -8.489 8.126 1.00 0.00 N ATOM 675 CD2 HIS A 52 -0.716 -8.008 8.821 1.00 0.00 C ATOM 676 CE1 HIS A 52 -1.872 -9.050 7.283 1.00 0.00 C ATOM 677 NE2 HIS A 52 -0.644 -8.772 7.682 1.00 0.00 N ATOM 0 H HIS A 52 -4.349 -6.791 8.007 1.00 0.00 H new ATOM 0 HA HIS A 52 -4.220 -5.700 10.742 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.888 -6.629 10.849 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -3.168 -7.824 10.886 1.00 0.00 H new ATOM 0 HD2 HIS A 52 0.121 -7.622 9.384 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -2.137 -9.636 6.415 1.00 0.00 H new ATOM 0 HE2 HIS A 52 0.214 -9.074 7.221 1.00 0.00 H new ATOM 685 N GLY A 53 -3.030 -4.565 7.996 1.00 0.00 N ATOM 686 CA GLY A 53 -2.399 -3.387 7.425 1.00 0.00 C ATOM 687 C GLY A 53 -3.407 -2.345 6.976 1.00 0.00 C ATOM 688 O GLY A 53 -4.226 -2.638 6.119 1.00 0.00 O ATOM 0 H GLY A 53 -3.479 -5.186 7.323 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.729 -2.945 8.162 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.786 -3.684 6.574 1.00 0.00 H new ATOM 692 N VAL A 54 -3.323 -1.137 7.573 1.00 0.00 N ATOM 693 CA VAL A 54 -4.201 0.042 7.298 1.00 0.00 C ATOM 694 C VAL A 54 -5.716 -0.207 7.430 1.00 0.00 C ATOM 695 O VAL A 54 -6.453 0.704 7.796 1.00 0.00 O ATOM 696 CB VAL A 54 -3.939 0.725 5.920 1.00 0.00 C ATOM 697 CG1 VAL A 54 -2.478 1.100 5.741 1.00 0.00 C ATOM 698 CG2 VAL A 54 -4.417 -0.128 4.759 1.00 0.00 C ATOM 0 H VAL A 54 -2.621 -0.939 8.286 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.902 0.714 8.103 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.524 1.645 5.919 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.340 1.573 4.768 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.182 1.794 6.527 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.862 0.202 5.799 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.214 0.388 3.821 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.892 -1.083 4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.489 -0.302 4.853 1.00 0.00 H new ATOM 708 N CYS A 55 -6.196 -1.398 7.111 1.00 0.00 N ATOM 709 CA CYS A 55 -7.624 -1.673 7.185 1.00 0.00 C ATOM 710 C CYS A 55 -8.080 -1.787 8.627 1.00 0.00 C ATOM 711 O CYS A 55 -9.169 -1.337 8.982 1.00 0.00 O ATOM 712 CB CYS A 55 -7.974 -2.940 6.423 1.00 0.00 C ATOM 713 SG CYS A 55 -9.758 -3.127 6.131 1.00 0.00 S ATOM 0 H CYS A 55 -5.625 -2.184 6.801 1.00 0.00 H new ATOM 0 HA CYS A 55 -8.147 -0.836 6.722 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -7.454 -2.936 5.465 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -7.611 -3.804 6.980 1.00 0.00 H new ATOM 718 N LYS A 56 -7.238 -2.384 9.462 1.00 0.00 N ATOM 719 CA LYS A 56 -7.551 -2.544 10.872 1.00 0.00 C ATOM 720 C LYS A 56 -7.583 -1.187 11.576 1.00 0.00 C ATOM 721 O LYS A 56 -8.004 -1.082 12.724 1.00 0.00 O ATOM 722 CB LYS A 56 -6.543 -3.461 11.551 1.00 0.00 C ATOM 723 CG LYS A 56 -7.141 -4.166 12.749 1.00 0.00 C ATOM 724 CD LYS A 56 -6.167 -5.146 13.390 1.00 0.00 C ATOM 725 CE LYS A 56 -6.690 -5.696 14.714 1.00 0.00 C ATOM 726 NZ LYS A 56 -8.070 -6.247 14.595 1.00 0.00 N ATOM 0 H LYS A 56 -6.333 -2.765 9.184 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.538 -3.000 10.946 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.185 -4.201 10.835 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.677 -2.879 11.867 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.447 -3.425 13.488 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.040 -4.700 12.442 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.981 -5.972 12.704 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.211 -4.649 13.557 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.019 -6.478 15.070 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.681 -4.903 15.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.323 -6.743 15.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.741 -5.470 14.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.110 -6.913 13.797 1.00 0.00 H new ATOM 740 N ASP A 57 -7.159 -0.149 10.865 1.00 0.00 N ATOM 741 CA ASP A 57 -7.164 1.203 11.398 1.00 0.00 C ATOM 742 C ASP A 57 -8.607 1.701 11.480 1.00 0.00 C ATOM 743 O ASP A 57 -8.930 2.588 12.269 1.00 0.00 O ATOM 744 CB ASP A 57 -6.300 2.113 10.507 1.00 0.00 C ATOM 745 CG ASP A 57 -6.127 3.516 11.046 1.00 0.00 C ATOM 746 OD1 ASP A 57 -7.085 4.309 10.987 1.00 0.00 O ATOM 747 OD2 ASP A 57 -5.019 3.827 11.527 1.00 0.00 O ATOM 0 H ASP A 57 -6.805 -0.222 9.911 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.738 1.218 12.401 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.317 1.658 10.385 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.751 2.168 9.516 1.00 0.00 H new ATOM 752 N LEU A 58 -9.478 1.097 10.670 1.00 0.00 N ATOM 753 CA LEU A 58 -10.897 1.449 10.654 1.00 0.00 C ATOM 754 C LEU A 58 -11.754 0.280 11.146 1.00 0.00 C ATOM 755 O LEU A 58 -12.895 0.479 11.571 1.00 0.00 O ATOM 756 CB LEU A 58 -11.357 1.854 9.244 1.00 0.00 C ATOM 757 CG LEU A 58 -10.677 3.093 8.646 1.00 0.00 C ATOM 758 CD1 LEU A 58 -9.319 2.741 8.050 1.00 0.00 C ATOM 759 CD2 LEU A 58 -11.569 3.735 7.595 1.00 0.00 C ATOM 0 H LEU A 58 -9.223 0.359 10.014 1.00 0.00 H new ATOM 0 HA LEU A 58 -11.025 2.299 11.325 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.189 1.012 8.573 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.432 2.031 9.271 1.00 0.00 H new ATOM 0 HG LEU A 58 -10.516 3.810 9.451 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.861 3.638 7.634 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.675 2.332 8.829 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.449 2.000 7.261 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.071 4.612 7.182 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -11.764 3.019 6.797 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -12.512 4.035 8.052 1.00 0.00 H new ATOM 771 N HIS A 59 -11.193 -0.934 11.071 1.00 0.00 N ATOM 772 CA HIS A 59 -11.882 -2.164 11.493 1.00 0.00 C ATOM 773 C HIS A 59 -13.065 -2.473 10.576 1.00 0.00 C ATOM 774 O HIS A 59 -14.197 -2.068 10.847 1.00 0.00 O ATOM 775 CB HIS A 59 -12.361 -2.069 12.947 1.00 0.00 C ATOM 776 CG HIS A 59 -11.256 -1.939 13.949 1.00 0.00 C ATOM 777 ND1 HIS A 59 -10.322 -2.928 14.175 1.00 0.00 N ATOM 778 CD2 HIS A 59 -10.939 -0.926 14.789 1.00 0.00 C ATOM 779 CE1 HIS A 59 -9.482 -2.531 15.115 1.00 0.00 C ATOM 780 NE2 HIS A 59 -9.834 -1.318 15.504 1.00 0.00 N ATOM 0 H HIS A 59 -10.250 -1.093 10.717 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.159 -2.977 11.421 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -13.027 -1.211 13.043 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.948 -2.956 13.183 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -11.459 0.016 14.880 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -8.649 -3.101 15.500 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -9.362 -0.764 16.218 1.00 0.00 H new ATOM 788 N LEU A 60 -12.797 -3.192 9.489 1.00 0.00 N ATOM 789 CA LEU A 60 -13.840 -3.552 8.535 1.00 0.00 C ATOM 790 C LEU A 60 -13.896 -5.064 8.301 1.00 0.00 C ATOM 791 O LEU A 60 -14.450 -5.526 7.302 1.00 0.00 O ATOM 792 CB LEU A 60 -13.624 -2.823 7.204 1.00 0.00 C ATOM 793 CG LEU A 60 -13.764 -1.298 7.266 1.00 0.00 C ATOM 794 CD1 LEU A 60 -13.369 -0.667 5.943 1.00 0.00 C ATOM 795 CD2 LEU A 60 -15.186 -0.905 7.624 1.00 0.00 C ATOM 0 H LEU A 60 -11.868 -3.536 9.248 1.00 0.00 H new ATOM 0 HA LEU A 60 -14.794 -3.243 8.962 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.629 -3.066 6.832 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -14.339 -3.208 6.477 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.093 -0.930 8.042 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.476 0.416 6.010 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.332 -0.916 5.716 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.015 -1.047 5.151 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -15.264 0.181 7.663 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.871 -1.291 6.870 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.445 -1.322 8.597 1.00 0.00 H new ATOM 807 N CYS A 61 -13.332 -5.828 9.231 1.00 0.00 N ATOM 808 CA CYS A 61 -13.324 -7.287 9.142 1.00 0.00 C ATOM 809 C CYS A 61 -13.075 -7.885 10.517 1.00 0.00 C ATOM 810 O CYS A 61 -12.803 -7.110 11.452 1.00 0.00 O ATOM 811 CB CYS A 61 -12.249 -7.785 8.172 1.00 0.00 C ATOM 812 SG CYS A 61 -10.590 -7.106 8.504 1.00 0.00 S ATOM 813 OXT CYS A 61 -13.145 -9.119 10.647 1.00 0.00 O ATOM 0 H CYS A 61 -12.870 -5.459 10.062 1.00 0.00 H new ATOM 0 HA CYS A 61 -14.297 -7.603 8.766 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.203 -8.873 8.222 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.541 -7.525 7.155 1.00 0.00 H new ATOM 1003 N CYS B 74 17.588 -9.766 3.293 1.00 0.00 N ATOM 1004 CA CYS B 74 16.437 -9.084 3.891 1.00 0.00 C ATOM 1005 C CYS B 74 15.572 -10.049 4.705 1.00 0.00 C ATOM 1006 O CYS B 74 14.346 -10.035 4.597 1.00 0.00 O ATOM 1007 CB CYS B 74 15.593 -8.435 2.795 1.00 0.00 C ATOM 1008 SG CYS B 74 16.532 -7.343 1.682 1.00 0.00 S ATOM 0 HA CYS B 74 16.816 -8.318 4.568 1.00 0.00 H new ATOM 0 HB2 CYS B 74 15.120 -9.219 2.203 1.00 0.00 H new ATOM 0 HB3 CYS B 74 14.792 -7.860 3.260 1.00 0.00 H new ATOM 1013 N ALA B 75 16.210 -10.895 5.500 1.00 0.00 N ATOM 1014 CA ALA B 75 15.493 -11.874 6.300 1.00 0.00 C ATOM 1015 C ALA B 75 15.121 -11.353 7.689 1.00 0.00 C ATOM 1016 O ALA B 75 14.021 -11.598 8.173 1.00 0.00 O ATOM 1017 CB ALA B 75 16.317 -13.151 6.421 1.00 0.00 C ATOM 0 H ALA B 75 17.224 -10.922 5.608 1.00 0.00 H new ATOM 0 HA ALA B 75 14.557 -12.083 5.782 1.00 0.00 H new ATOM 0 HB1 ALA B 75 15.773 -13.880 7.022 1.00 0.00 H new ATOM 0 HB2 ALA B 75 16.498 -13.562 5.428 1.00 0.00 H new ATOM 0 HB3 ALA B 75 17.270 -12.925 6.900 1.00 0.00 H new ATOM 1023 N ALA B 76 16.049 -10.671 8.343 1.00 0.00 N ATOM 1024 CA ALA B 76 15.820 -10.166 9.696 1.00 0.00 C ATOM 1025 C ALA B 76 14.717 -9.101 9.780 1.00 0.00 C ATOM 1026 O ALA B 76 13.686 -9.319 10.414 1.00 0.00 O ATOM 1027 CB ALA B 76 17.119 -9.620 10.259 1.00 0.00 C ATOM 0 H ALA B 76 16.970 -10.452 7.962 1.00 0.00 H new ATOM 0 HA ALA B 76 15.469 -11.009 10.291 1.00 0.00 H new ATOM 0 HB1 ALA B 76 16.949 -9.243 11.268 1.00 0.00 H new ATOM 0 HB2 ALA B 76 17.865 -10.414 10.289 1.00 0.00 H new ATOM 0 HB3 ALA B 76 17.478 -8.809 9.625 1.00 0.00 H new ATOM 1033 N ALA B 77 14.960 -7.938 9.180 1.00 0.00 N ATOM 1034 CA ALA B 77 14.010 -6.820 9.233 1.00 0.00 C ATOM 1035 C ALA B 77 12.815 -6.959 8.284 1.00 0.00 C ATOM 1036 O ALA B 77 12.061 -6.004 8.106 1.00 0.00 O ATOM 1037 CB ALA B 77 14.741 -5.516 8.947 1.00 0.00 C ATOM 0 H ALA B 77 15.808 -7.741 8.649 1.00 0.00 H new ATOM 0 HA ALA B 77 13.595 -6.825 10.241 1.00 0.00 H new ATOM 0 HB1 ALA B 77 14.035 -4.687 8.987 1.00 0.00 H new ATOM 0 HB2 ALA B 77 15.521 -5.365 9.694 1.00 0.00 H new ATOM 0 HB3 ALA B 77 15.192 -5.562 7.956 1.00 0.00 H new ATOM 1043 N ILE B 78 12.623 -8.124 7.677 1.00 0.00 N ATOM 1044 CA ILE B 78 11.494 -8.312 6.764 1.00 0.00 C ATOM 1045 C ILE B 78 10.719 -9.591 7.089 1.00 0.00 C ATOM 1046 O ILE B 78 9.516 -9.537 7.342 1.00 0.00 O ATOM 1047 CB ILE B 78 11.962 -8.261 5.283 1.00 0.00 C ATOM 1048 CG1 ILE B 78 12.138 -6.803 4.869 1.00 0.00 C ATOM 1049 CG2 ILE B 78 10.993 -8.952 4.331 1.00 0.00 C ATOM 1050 CD1 ILE B 78 12.688 -6.631 3.473 1.00 0.00 C ATOM 0 H ILE B 78 13.221 -8.942 7.795 1.00 0.00 H new ATOM 0 HA ILE B 78 10.800 -7.484 6.908 1.00 0.00 H new ATOM 0 HB ILE B 78 12.907 -8.801 5.217 1.00 0.00 H new ATOM 0 HG12 ILE B 78 11.175 -6.297 4.936 1.00 0.00 H new ATOM 0 HG13 ILE B 78 12.806 -6.312 5.576 1.00 0.00 H new ATOM 0 HG21 ILE B 78 11.373 -8.884 3.312 1.00 0.00 H new ATOM 0 HG22 ILE B 78 10.893 -10.001 4.611 1.00 0.00 H new ATOM 0 HG23 ILE B 78 10.019 -8.467 4.388 1.00 0.00 H new ATOM 0 HD11 ILE B 78 12.786 -5.569 3.249 1.00 0.00 H new ATOM 0 HD12 ILE B 78 13.666 -7.108 3.406 1.00 0.00 H new ATOM 0 HD13 ILE B 78 12.010 -7.092 2.755 1.00 0.00 H new ATOM 1062 N ALA B 79 11.399 -10.733 7.121 1.00 0.00 N ATOM 1063 CA ALA B 79 10.735 -11.990 7.458 1.00 0.00 C ATOM 1064 C ALA B 79 10.388 -12.023 8.942 1.00 0.00 C ATOM 1065 O ALA B 79 9.337 -12.527 9.331 1.00 0.00 O ATOM 1066 CB ALA B 79 11.597 -13.186 7.077 1.00 0.00 C ATOM 0 H ALA B 79 12.396 -10.816 6.921 1.00 0.00 H new ATOM 0 HA ALA B 79 9.811 -12.052 6.884 1.00 0.00 H new ATOM 0 HB1 ALA B 79 11.077 -14.107 7.340 1.00 0.00 H new ATOM 0 HB2 ALA B 79 11.788 -13.170 6.004 1.00 0.00 H new ATOM 0 HB3 ALA B 79 12.544 -13.138 7.614 1.00 0.00 H new ATOM 1072 N GLY B 80 11.264 -11.454 9.767 1.00 0.00 N ATOM 1073 CA GLY B 80 11.010 -11.404 11.195 1.00 0.00 C ATOM 1074 C GLY B 80 9.975 -10.354 11.532 1.00 0.00 C ATOM 1075 O GLY B 80 9.298 -10.435 12.558 1.00 0.00 O ATOM 0 H GLY B 80 12.143 -11.028 9.472 1.00 0.00 H new ATOM 0 HA2 GLY B 80 10.667 -12.380 11.540 1.00 0.00 H new ATOM 0 HA3 GLY B 80 11.938 -11.186 11.724 1.00 0.00 H new ATOM 1079 N ALA B 81 9.844 -9.370 10.647 1.00 0.00 N ATOM 1080 CA ALA B 81 8.880 -8.294 10.826 1.00 0.00 C ATOM 1081 C ALA B 81 7.455 -8.814 10.662 1.00 0.00 C ATOM 1082 O ALA B 81 6.501 -8.223 11.170 1.00 0.00 O ATOM 1083 CB ALA B 81 9.153 -7.172 9.836 1.00 0.00 C ATOM 0 H ALA B 81 10.398 -9.298 9.794 1.00 0.00 H new ATOM 0 HA ALA B 81 8.986 -7.901 11.837 1.00 0.00 H new ATOM 0 HB1 ALA B 81 8.425 -6.374 9.981 1.00 0.00 H new ATOM 0 HB2 ALA B 81 10.157 -6.781 9.998 1.00 0.00 H new ATOM 0 HB3 ALA B 81 9.073 -7.556 8.819 1.00 0.00 H new ATOM 1089 N VAL B 82 7.333 -9.933 9.960 1.00 0.00 N ATOM 1090 CA VAL B 82 6.060 -10.575 9.718 1.00 0.00 C ATOM 1091 C VAL B 82 5.462 -11.095 11.028 1.00 0.00 C ATOM 1092 O VAL B 82 4.251 -11.003 11.259 1.00 0.00 O ATOM 1093 CB VAL B 82 6.255 -11.727 8.705 1.00 0.00 C ATOM 1094 CG1 VAL B 82 5.021 -12.591 8.614 1.00 0.00 C ATOM 1095 CG2 VAL B 82 6.613 -11.168 7.337 1.00 0.00 C ATOM 0 H VAL B 82 8.125 -10.420 9.541 1.00 0.00 H new ATOM 0 HA VAL B 82 5.362 -9.849 9.301 1.00 0.00 H new ATOM 0 HB VAL B 82 7.075 -12.352 9.058 1.00 0.00 H new ATOM 0 HG11 VAL B 82 5.190 -13.392 7.894 1.00 0.00 H new ATOM 0 HG12 VAL B 82 4.806 -13.022 9.592 1.00 0.00 H new ATOM 0 HG13 VAL B 82 4.175 -11.984 8.291 1.00 0.00 H new ATOM 0 HG21 VAL B 82 6.748 -11.989 6.632 1.00 0.00 H new ATOM 0 HG22 VAL B 82 5.810 -10.518 6.988 1.00 0.00 H new ATOM 0 HG23 VAL B 82 7.538 -10.596 7.408 1.00 0.00 H new ATOM 1105 N ALA B 83 6.320 -11.626 11.894 1.00 0.00 N ATOM 1106 CA ALA B 83 5.883 -12.151 13.183 1.00 0.00 C ATOM 1107 C ALA B 83 5.593 -11.032 14.183 1.00 0.00 C ATOM 1108 O ALA B 83 4.984 -11.265 15.226 1.00 0.00 O ATOM 1109 CB ALA B 83 6.931 -13.099 13.744 1.00 0.00 C ATOM 0 H ALA B 83 7.323 -11.704 11.726 1.00 0.00 H new ATOM 0 HA ALA B 83 4.953 -12.696 13.021 1.00 0.00 H new ATOM 0 HB1 ALA B 83 6.595 -13.485 14.706 1.00 0.00 H new ATOM 0 HB2 ALA B 83 7.079 -13.928 13.052 1.00 0.00 H new ATOM 0 HB3 ALA B 83 7.872 -12.564 13.876 1.00 0.00 H new ATOM 1115 N ALA B 84 6.039 -9.820 13.863 1.00 0.00 N ATOM 1116 CA ALA B 84 5.833 -8.673 14.738 1.00 0.00 C ATOM 1117 C ALA B 84 4.439 -8.079 14.563 1.00 0.00 C ATOM 1118 O ALA B 84 3.840 -7.594 15.522 1.00 0.00 O ATOM 1119 CB ALA B 84 6.892 -7.611 14.477 1.00 0.00 C ATOM 0 H ALA B 84 6.546 -9.608 13.003 1.00 0.00 H new ATOM 0 HA ALA B 84 5.922 -9.021 15.767 1.00 0.00 H new ATOM 0 HB1 ALA B 84 6.725 -6.761 15.138 1.00 0.00 H new ATOM 0 HB2 ALA B 84 7.881 -8.029 14.666 1.00 0.00 H new ATOM 0 HB3 ALA B 84 6.830 -7.282 13.440 1.00 0.00 H new ATOM 1125 N CYS B 85 3.928 -8.106 13.338 1.00 0.00 N ATOM 1126 CA CYS B 85 2.604 -7.555 13.063 1.00 0.00 C ATOM 1127 C CYS B 85 1.523 -8.622 13.166 1.00 0.00 C ATOM 1128 O CYS B 85 0.430 -8.363 13.674 1.00 0.00 O ATOM 1129 CB CYS B 85 2.543 -6.920 11.674 1.00 0.00 C ATOM 1130 SG CYS B 85 0.913 -6.201 11.289 1.00 0.00 S ATOM 0 H CYS B 85 4.404 -8.499 12.526 1.00 0.00 H new ATOM 0 HA CYS B 85 2.423 -6.789 13.817 1.00 0.00 H new ATOM 0 HB2 CYS B 85 3.303 -6.142 11.603 1.00 0.00 H new ATOM 0 HB3 CYS B 85 2.787 -7.674 10.925 1.00 0.00 H new ATOM 1135 N GLY B 86 1.821 -9.813 12.669 1.00 0.00 N ATOM 1136 CA GLY B 86 0.851 -10.887 12.703 1.00 0.00 C ATOM 1137 C GLY B 86 0.370 -11.248 11.315 1.00 0.00 C ATOM 1138 O GLY B 86 -0.807 -11.551 11.113 1.00 0.00 O ATOM 0 H GLY B 86 2.716 -10.055 12.243 1.00 0.00 H new ATOM 0 HA2 GLY B 86 1.295 -11.764 13.174 1.00 0.00 H new ATOM 0 HA3 GLY B 86 0.001 -10.591 13.318 1.00 0.00 H new ATOM 1142 N GLY B 87 1.285 -11.202 10.354 1.00 0.00 N ATOM 1143 CA GLY B 87 0.944 -11.519 8.983 1.00 0.00 C ATOM 1144 C GLY B 87 1.932 -10.920 8.009 1.00 0.00 C ATOM 1145 O GLY B 87 2.741 -10.071 8.388 1.00 0.00 O ATOM 0 H GLY B 87 2.262 -10.949 10.503 1.00 0.00 H new ATOM 0 HA2 GLY B 87 0.918 -12.601 8.855 1.00 0.00 H new ATOM 0 HA3 GLY B 87 -0.056 -11.147 8.761 1.00 0.00 H new ATOM 1149 N ILE B 88 1.877 -11.356 6.758 1.00 0.00 N ATOM 1150 CA ILE B 88 2.784 -10.851 5.737 1.00 0.00 C ATOM 1151 C ILE B 88 2.090 -9.837 4.828 1.00 0.00 C ATOM 1152 O ILE B 88 1.060 -10.135 4.215 1.00 0.00 O ATOM 1153 CB ILE B 88 3.382 -12.007 4.894 1.00 0.00 C ATOM 1154 CG1 ILE B 88 4.111 -11.465 3.660 1.00 0.00 C ATOM 1155 CG2 ILE B 88 2.302 -12.999 4.486 1.00 0.00 C ATOM 1156 CD1 ILE B 88 5.323 -10.620 3.990 1.00 0.00 C ATOM 0 H ILE B 88 1.215 -12.057 6.426 1.00 0.00 H new ATOM 0 HA ILE B 88 3.600 -10.345 6.253 1.00 0.00 H new ATOM 0 HB ILE B 88 4.108 -12.532 5.515 1.00 0.00 H new ATOM 0 HG12 ILE B 88 4.422 -12.303 3.036 1.00 0.00 H new ATOM 0 HG13 ILE B 88 3.414 -10.870 3.070 1.00 0.00 H new ATOM 0 HG21 ILE B 88 2.748 -13.800 3.896 1.00 0.00 H new ATOM 0 HG22 ILE B 88 1.839 -13.420 5.378 1.00 0.00 H new ATOM 0 HG23 ILE B 88 1.545 -12.488 3.891 1.00 0.00 H new ATOM 0 HD11 ILE B 88 5.786 -10.272 3.067 1.00 0.00 H new ATOM 0 HD12 ILE B 88 5.016 -9.762 4.588 1.00 0.00 H new ATOM 0 HD13 ILE B 88 6.040 -11.217 4.553 1.00 0.00 H new ATOM 1168 N ASP B 89 2.664 -8.640 4.753 1.00 0.00 N ATOM 1169 CA ASP B 89 2.124 -7.563 3.929 1.00 0.00 C ATOM 1170 C ASP B 89 3.176 -6.468 3.716 1.00 0.00 C ATOM 1171 O ASP B 89 4.179 -6.694 3.046 1.00 0.00 O ATOM 1172 CB ASP B 89 0.844 -6.979 4.562 1.00 0.00 C ATOM 1173 CG ASP B 89 1.038 -6.529 5.995 1.00 0.00 C ATOM 1174 OD1 ASP B 89 1.411 -7.367 6.832 1.00 0.00 O ATOM 1175 OD2 ASP B 89 0.828 -5.333 6.273 1.00 0.00 O ATOM 0 H ASP B 89 3.513 -8.390 5.259 1.00 0.00 H new ATOM 0 HA ASP B 89 1.860 -7.976 2.955 1.00 0.00 H new ATOM 0 HB2 ASP B 89 0.505 -6.132 3.965 1.00 0.00 H new ATOM 0 HB3 ASP B 89 0.054 -7.730 4.528 1.00 0.00 H new ATOM 1180 N LEU B 90 2.933 -5.297 4.301 1.00 0.00 N ATOM 1181 CA LEU B 90 3.827 -4.139 4.212 1.00 0.00 C ATOM 1182 C LEU B 90 3.258 -2.959 5.013 1.00 0.00 C ATOM 1183 O LEU B 90 3.978 -2.363 5.811 1.00 0.00 O ATOM 1184 CB LEU B 90 4.074 -3.727 2.750 1.00 0.00 C ATOM 1185 CG LEU B 90 4.785 -2.379 2.544 1.00 0.00 C ATOM 1186 CD1 LEU B 90 6.175 -2.369 3.174 1.00 0.00 C ATOM 1187 CD2 LEU B 90 4.888 -2.061 1.061 1.00 0.00 C ATOM 0 H LEU B 90 2.098 -5.121 4.859 1.00 0.00 H new ATOM 0 HA LEU B 90 4.786 -4.427 4.642 1.00 0.00 H new ATOM 0 HB2 LEU B 90 4.666 -4.505 2.268 1.00 0.00 H new ATOM 0 HB3 LEU B 90 3.114 -3.692 2.235 1.00 0.00 H new ATOM 0 HG LEU B 90 4.188 -1.614 3.040 1.00 0.00 H new ATOM 0 HD11 LEU B 90 6.644 -1.399 3.006 1.00 0.00 H new ATOM 0 HD12 LEU B 90 6.090 -2.550 4.245 1.00 0.00 H new ATOM 0 HD13 LEU B 90 6.785 -3.150 2.721 1.00 0.00 H new ATOM 0 HD21 LEU B 90 5.393 -1.104 0.928 1.00 0.00 H new ATOM 0 HD22 LEU B 90 5.457 -2.844 0.560 1.00 0.00 H new ATOM 0 HD23 LEU B 90 3.888 -2.006 0.630 1.00 0.00 H new ATOM 1199 N PRO B 91 1.958 -2.592 4.811 1.00 0.00 N ATOM 1200 CA PRO B 91 1.311 -1.471 5.520 1.00 0.00 C ATOM 1201 C PRO B 91 1.547 -1.453 7.030 1.00 0.00 C ATOM 1202 O PRO B 91 1.632 -0.385 7.629 1.00 0.00 O ATOM 1203 CB PRO B 91 -0.186 -1.664 5.235 1.00 0.00 C ATOM 1204 CG PRO B 91 -0.305 -2.987 4.551 1.00 0.00 C ATOM 1205 CD PRO B 91 1.009 -3.218 3.876 1.00 0.00 C ATOM 0 HA PRO B 91 1.725 -0.525 5.171 1.00 0.00 H new ATOM 0 HB2 PRO B 91 -0.765 -1.648 6.159 1.00 0.00 H new ATOM 0 HB3 PRO B 91 -0.570 -0.862 4.604 1.00 0.00 H new ATOM 0 HG2 PRO B 91 -0.521 -3.779 5.268 1.00 0.00 H new ATOM 0 HG3 PRO B 91 -1.120 -2.981 3.828 1.00 0.00 H new ATOM 0 HD2 PRO B 91 1.214 -4.280 3.739 1.00 0.00 H new ATOM 0 HD3 PRO B 91 1.046 -2.756 2.889 1.00 0.00 H new ATOM 1213 N CYS B 92 1.636 -2.622 7.649 1.00 0.00 N ATOM 1214 CA CYS B 92 1.854 -2.687 9.085 1.00 0.00 C ATOM 1215 C CYS B 92 3.262 -3.171 9.395 1.00 0.00 C ATOM 1216 O CYS B 92 3.834 -2.843 10.435 1.00 0.00 O ATOM 1217 CB CYS B 92 0.838 -3.612 9.744 1.00 0.00 C ATOM 1218 SG CYS B 92 1.143 -5.380 9.453 1.00 0.00 S ATOM 0 H CYS B 92 1.562 -3.527 7.185 1.00 0.00 H new ATOM 0 HA CYS B 92 1.729 -1.681 9.486 1.00 0.00 H new ATOM 0 HB2 CYS B 92 0.838 -3.427 10.818 1.00 0.00 H new ATOM 0 HB3 CYS B 92 -0.157 -3.361 9.377 1.00 0.00 H new ATOM 1223 N VAL B 93 3.809 -3.961 8.480 1.00 0.00 N ATOM 1224 CA VAL B 93 5.139 -4.519 8.613 1.00 0.00 C ATOM 1225 C VAL B 93 6.207 -3.423 8.706 1.00 0.00 C ATOM 1226 O VAL B 93 7.317 -3.669 9.191 1.00 0.00 O ATOM 1227 CB VAL B 93 5.432 -5.443 7.412 1.00 0.00 C ATOM 1228 CG1 VAL B 93 6.783 -6.101 7.543 1.00 0.00 C ATOM 1229 CG2 VAL B 93 4.350 -6.500 7.273 1.00 0.00 C ATOM 0 H VAL B 93 3.334 -4.232 7.619 1.00 0.00 H new ATOM 0 HA VAL B 93 5.175 -5.093 9.539 1.00 0.00 H new ATOM 0 HB VAL B 93 5.440 -4.824 6.515 1.00 0.00 H new ATOM 0 HG11 VAL B 93 6.959 -6.745 6.681 1.00 0.00 H new ATOM 0 HG12 VAL B 93 7.558 -5.336 7.588 1.00 0.00 H new ATOM 0 HG13 VAL B 93 6.810 -6.699 8.454 1.00 0.00 H new ATOM 0 HG21 VAL B 93 4.575 -7.141 6.421 1.00 0.00 H new ATOM 0 HG22 VAL B 93 4.311 -7.103 8.180 1.00 0.00 H new ATOM 0 HG23 VAL B 93 3.386 -6.016 7.118 1.00 0.00 H new ATOM 1239 N LEU B 94 5.866 -2.215 8.249 1.00 0.00 N ATOM 1240 CA LEU B 94 6.791 -1.081 8.280 1.00 0.00 C ATOM 1241 C LEU B 94 7.366 -0.827 9.686 1.00 0.00 C ATOM 1242 O LEU B 94 8.434 -0.228 9.824 1.00 0.00 O ATOM 1243 CB LEU B 94 6.109 0.204 7.757 1.00 0.00 C ATOM 1244 CG LEU B 94 4.652 0.453 8.201 1.00 0.00 C ATOM 1245 CD1 LEU B 94 4.536 0.655 9.706 1.00 0.00 C ATOM 1246 CD2 LEU B 94 4.083 1.666 7.484 1.00 0.00 C ATOM 0 H LEU B 94 4.952 -1.998 7.852 1.00 0.00 H new ATOM 0 HA LEU B 94 7.621 -1.344 7.624 1.00 0.00 H new ATOM 0 HB2 LEU B 94 6.709 1.058 8.070 1.00 0.00 H new ATOM 0 HB3 LEU B 94 6.132 0.181 6.667 1.00 0.00 H new ATOM 0 HG LEU B 94 4.081 -0.437 7.936 1.00 0.00 H new ATOM 0 HD11 LEU B 94 3.493 0.827 9.971 1.00 0.00 H new ATOM 0 HD12 LEU B 94 4.900 -0.234 10.222 1.00 0.00 H new ATOM 0 HD13 LEU B 94 5.133 1.517 10.004 1.00 0.00 H new ATOM 0 HD21 LEU B 94 3.055 1.830 7.807 1.00 0.00 H new ATOM 0 HD22 LEU B 94 4.683 2.544 7.723 1.00 0.00 H new ATOM 0 HD23 LEU B 94 4.103 1.495 6.408 1.00 0.00 H new ATOM 1258 N ALA B 95 6.636 -1.265 10.719 1.00 0.00 N ATOM 1259 CA ALA B 95 7.045 -1.065 12.110 1.00 0.00 C ATOM 1260 C ALA B 95 8.386 -1.725 12.419 1.00 0.00 C ATOM 1261 O ALA B 95 9.311 -1.069 12.894 1.00 0.00 O ATOM 1262 CB ALA B 95 5.972 -1.585 13.058 1.00 0.00 C ATOM 0 H ALA B 95 5.753 -1.764 10.613 1.00 0.00 H new ATOM 0 HA ALA B 95 7.169 0.008 12.258 1.00 0.00 H new ATOM 0 HB1 ALA B 95 6.291 -1.429 14.089 1.00 0.00 H new ATOM 0 HB2 ALA B 95 5.040 -1.049 12.881 1.00 0.00 H new ATOM 0 HB3 ALA B 95 5.817 -2.650 12.883 1.00 0.00 H new ATOM 1268 N ALA B 96 8.485 -3.022 12.157 1.00 0.00 N ATOM 1269 CA ALA B 96 9.720 -3.754 12.418 1.00 0.00 C ATOM 1270 C ALA B 96 10.705 -3.575 11.270 1.00 0.00 C ATOM 1271 O ALA B 96 11.912 -3.741 11.444 1.00 0.00 O ATOM 1272 CB ALA B 96 9.432 -5.225 12.659 1.00 0.00 C ATOM 0 H ALA B 96 7.731 -3.587 11.766 1.00 0.00 H new ATOM 0 HA ALA B 96 10.174 -3.346 13.321 1.00 0.00 H new ATOM 0 HB1 ALA B 96 10.367 -5.752 12.852 1.00 0.00 H new ATOM 0 HB2 ALA B 96 8.772 -5.330 13.520 1.00 0.00 H new ATOM 0 HB3 ALA B 96 8.950 -5.650 11.779 1.00 0.00 H new ATOM 1278 N LEU B 97 10.174 -3.215 10.105 1.00 0.00 N ATOM 1279 CA LEU B 97 10.986 -2.978 8.919 1.00 0.00 C ATOM 1280 C LEU B 97 11.938 -1.816 9.184 1.00 0.00 C ATOM 1281 O LEU B 97 13.152 -1.944 9.013 1.00 0.00 O ATOM 1282 CB LEU B 97 10.071 -2.681 7.725 1.00 0.00 C ATOM 1283 CG LEU B 97 10.771 -2.358 6.406 1.00 0.00 C ATOM 1284 CD1 LEU B 97 11.734 -3.464 6.016 1.00 0.00 C ATOM 1285 CD2 LEU B 97 9.739 -2.151 5.309 1.00 0.00 C ATOM 0 H LEU B 97 9.174 -3.080 9.958 1.00 0.00 H new ATOM 0 HA LEU B 97 11.578 -3.863 8.685 1.00 0.00 H new ATOM 0 HB2 LEU B 97 9.422 -3.543 7.567 1.00 0.00 H new ATOM 0 HB3 LEU B 97 9.427 -1.841 7.987 1.00 0.00 H new ATOM 0 HG LEU B 97 11.344 -1.440 6.538 1.00 0.00 H new ATOM 0 HD11 LEU B 97 12.219 -3.209 5.074 1.00 0.00 H new ATOM 0 HD12 LEU B 97 12.490 -3.579 6.793 1.00 0.00 H new ATOM 0 HD13 LEU B 97 11.186 -4.399 5.901 1.00 0.00 H new ATOM 0 HD21 LEU B 97 10.246 -1.921 4.372 1.00 0.00 H new ATOM 0 HD22 LEU B 97 9.148 -3.059 5.189 1.00 0.00 H new ATOM 0 HD23 LEU B 97 9.082 -1.324 5.579 1.00 0.00 H new ATOM 1297 N LYS B 98 11.357 -0.706 9.647 1.00 0.00 N ATOM 1298 CA LYS B 98 12.095 0.507 10.006 1.00 0.00 C ATOM 1299 C LYS B 98 12.804 1.140 8.812 1.00 0.00 C ATOM 1300 O LYS B 98 13.756 0.591 8.252 1.00 0.00 O ATOM 1301 CB LYS B 98 13.089 0.212 11.130 1.00 0.00 C ATOM 1302 CG LYS B 98 13.570 1.451 11.867 1.00 0.00 C ATOM 1303 CD LYS B 98 14.330 1.073 13.125 1.00 0.00 C ATOM 1304 CE LYS B 98 14.760 2.299 13.917 1.00 0.00 C ATOM 1305 NZ LYS B 98 15.599 3.215 13.101 1.00 0.00 N ATOM 0 H LYS B 98 10.350 -0.624 9.784 1.00 0.00 H new ATOM 0 HA LYS B 98 11.363 1.234 10.357 1.00 0.00 H new ATOM 0 HB2 LYS B 98 12.623 -0.466 11.845 1.00 0.00 H new ATOM 0 HB3 LYS B 98 13.951 -0.308 10.712 1.00 0.00 H new ATOM 0 HG2 LYS B 98 14.212 2.041 11.213 1.00 0.00 H new ATOM 0 HG3 LYS B 98 12.717 2.078 12.127 1.00 0.00 H new ATOM 0 HD2 LYS B 98 13.703 0.438 13.751 1.00 0.00 H new ATOM 0 HD3 LYS B 98 15.209 0.488 12.856 1.00 0.00 H new ATOM 0 HE2 LYS B 98 13.877 2.832 14.270 1.00 0.00 H new ATOM 0 HE3 LYS B 98 15.317 1.985 14.800 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 16.038 3.927 13.719 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 16.342 2.669 12.619 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 15.005 3.691 12.393 1.00 0.00 H new ATOM 1361 N CYS B 103 17.201 -0.884 3.906 1.00 0.00 N ATOM 1362 CA CYS B 103 16.570 -2.105 4.426 1.00 0.00 C ATOM 1363 C CYS B 103 15.250 -2.423 3.725 1.00 0.00 C ATOM 1364 O CYS B 103 15.024 -3.558 3.310 1.00 0.00 O ATOM 1365 CB CYS B 103 16.360 -2.025 5.947 1.00 0.00 C ATOM 1366 SG CYS B 103 17.876 -2.308 6.922 1.00 0.00 S ATOM 0 HA CYS B 103 17.260 -2.921 4.212 1.00 0.00 H new ATOM 0 HB2 CYS B 103 15.958 -1.043 6.197 1.00 0.00 H new ATOM 0 HB3 CYS B 103 15.610 -2.760 6.239 1.00 0.00 H new ATOM 0 HG CYS B 103 17.600 -2.219 8.189 1.00 0.00 H new ATOM 1371 N ALA B 104 14.380 -1.430 3.601 1.00 0.00 N ATOM 1372 CA ALA B 104 13.082 -1.625 2.966 1.00 0.00 C ATOM 1373 C ALA B 104 13.162 -1.625 1.442 1.00 0.00 C ATOM 1374 O ALA B 104 12.178 -1.942 0.782 1.00 0.00 O ATOM 1375 CB ALA B 104 12.111 -0.552 3.429 1.00 0.00 C ATOM 0 H ALA B 104 14.549 -0.480 3.932 1.00 0.00 H new ATOM 0 HA ALA B 104 12.726 -2.610 3.269 1.00 0.00 H new ATOM 0 HB1 ALA B 104 11.144 -0.705 2.950 1.00 0.00 H new ATOM 0 HB2 ALA B 104 11.993 -0.610 4.511 1.00 0.00 H new ATOM 0 HB3 ALA B 104 12.498 0.430 3.159 1.00 0.00 H new ATOM 1381 N SER B 105 14.316 -1.260 0.888 1.00 0.00 N ATOM 1382 CA SER B 105 14.491 -1.208 -0.566 1.00 0.00 C ATOM 1383 C SER B 105 14.084 -2.518 -1.250 1.00 0.00 C ATOM 1384 O SER B 105 13.281 -2.509 -2.184 1.00 0.00 O ATOM 1385 CB SER B 105 15.936 -0.851 -0.915 1.00 0.00 C ATOM 1386 OG SER B 105 16.860 -1.743 -0.306 1.00 0.00 O ATOM 0 H SER B 105 15.144 -0.996 1.421 1.00 0.00 H new ATOM 0 HA SER B 105 13.827 -0.430 -0.943 1.00 0.00 H new ATOM 0 HB2 SER B 105 16.066 -0.876 -1.997 1.00 0.00 H new ATOM 0 HB3 SER B 105 16.147 0.168 -0.592 1.00 0.00 H new ATOM 0 HG SER B 105 17.773 -1.486 -0.552 1.00 0.00 H new ATOM 1392 N CYS B 106 14.631 -3.637 -0.780 1.00 0.00 N ATOM 1393 CA CYS B 106 14.314 -4.950 -1.349 1.00 0.00 C ATOM 1394 C CYS B 106 12.839 -5.280 -1.181 1.00 0.00 C ATOM 1395 O CYS B 106 12.254 -6.002 -1.989 1.00 0.00 O ATOM 1396 CB CYS B 106 15.146 -6.040 -0.677 1.00 0.00 C ATOM 1397 SG CYS B 106 15.185 -5.928 1.140 1.00 0.00 S ATOM 0 H CYS B 106 15.296 -3.663 -0.007 1.00 0.00 H new ATOM 0 HA CYS B 106 14.550 -4.910 -2.412 1.00 0.00 H new ATOM 0 HB2 CYS B 106 14.748 -7.014 -0.962 1.00 0.00 H new ATOM 0 HB3 CYS B 106 16.167 -5.989 -1.056 1.00 0.00 H new ATOM 1402 N PHE B 107 12.256 -4.763 -0.113 1.00 0.00 N ATOM 1403 CA PHE B 107 10.861 -5.000 0.195 1.00 0.00 C ATOM 1404 C PHE B 107 9.946 -4.302 -0.806 1.00 0.00 C ATOM 1405 O PHE B 107 9.123 -4.949 -1.447 1.00 0.00 O ATOM 1406 CB PHE B 107 10.570 -4.526 1.616 1.00 0.00 C ATOM 1407 CG PHE B 107 9.379 -5.178 2.243 1.00 0.00 C ATOM 1408 CD1 PHE B 107 8.341 -5.677 1.473 1.00 0.00 C ATOM 1409 CD2 PHE B 107 9.303 -5.290 3.614 1.00 0.00 C ATOM 1410 CE1 PHE B 107 7.252 -6.273 2.063 1.00 0.00 C ATOM 1411 CE2 PHE B 107 8.222 -5.883 4.212 1.00 0.00 C ATOM 1412 CZ PHE B 107 7.191 -6.377 3.435 1.00 0.00 C ATOM 0 H PHE B 107 12.737 -4.169 0.562 1.00 0.00 H new ATOM 0 HA PHE B 107 10.663 -6.069 0.124 1.00 0.00 H new ATOM 0 HB2 PHE B 107 11.445 -4.716 2.238 1.00 0.00 H new ATOM 0 HB3 PHE B 107 10.416 -3.447 1.604 1.00 0.00 H new ATOM 0 HD1 PHE B 107 8.388 -5.597 0.397 1.00 0.00 H new ATOM 0 HD2 PHE B 107 10.106 -4.905 4.225 1.00 0.00 H new ATOM 0 HE1 PHE B 107 6.448 -6.658 1.454 1.00 0.00 H new ATOM 0 HE2 PHE B 107 8.176 -5.964 5.288 1.00 0.00 H new ATOM 0 HZ PHE B 107 6.338 -6.844 3.904 1.00 0.00 H new ATOM 1422 N CYS B 108 10.083 -2.988 -0.954 1.00 0.00 N ATOM 1423 CA CYS B 108 9.244 -2.255 -1.894 1.00 0.00 C ATOM 1424 C CYS B 108 9.734 -2.396 -3.320 1.00 0.00 C ATOM 1425 O CYS B 108 9.366 -1.601 -4.173 1.00 0.00 O ATOM 1426 CB CYS B 108 9.167 -0.773 -1.545 1.00 0.00 C ATOM 1427 SG CYS B 108 10.649 -0.076 -0.763 1.00 0.00 S ATOM 0 H CYS B 108 10.756 -2.417 -0.444 1.00 0.00 H new ATOM 0 HA CYS B 108 8.250 -2.696 -1.815 1.00 0.00 H new ATOM 0 HB2 CYS B 108 8.961 -0.213 -2.457 1.00 0.00 H new ATOM 0 HB3 CYS B 108 8.319 -0.618 -0.878 1.00 0.00 H new ATOM 1432 N GLU B 109 10.556 -3.399 -3.571 1.00 0.00 N ATOM 1433 CA GLU B 109 11.093 -3.632 -4.900 1.00 0.00 C ATOM 1434 C GLU B 109 9.956 -3.759 -5.914 1.00 0.00 C ATOM 1435 O GLU B 109 9.794 -2.923 -6.804 1.00 0.00 O ATOM 1436 CB GLU B 109 11.914 -4.922 -4.894 1.00 0.00 C ATOM 1437 CG GLU B 109 12.920 -5.037 -6.030 1.00 0.00 C ATOM 1438 CD GLU B 109 14.102 -4.110 -5.874 1.00 0.00 C ATOM 1439 OE1 GLU B 109 13.899 -2.881 -5.865 1.00 0.00 O ATOM 1440 OE2 GLU B 109 15.238 -4.614 -5.765 1.00 0.00 O ATOM 0 H GLU B 109 10.868 -4.069 -2.868 1.00 0.00 H new ATOM 0 HA GLU B 109 11.726 -2.790 -5.181 1.00 0.00 H new ATOM 0 HB2 GLU B 109 12.447 -4.994 -3.946 1.00 0.00 H new ATOM 0 HB3 GLU B 109 11.233 -5.771 -4.942 1.00 0.00 H new ATOM 0 HG2 GLU B 109 13.278 -6.065 -6.087 1.00 0.00 H new ATOM 0 HG3 GLU B 109 12.419 -4.821 -6.974 1.00 0.00 H new ATOM 1447 N ASP B 110 9.161 -4.811 -5.746 1.00 0.00 N ATOM 1448 CA ASP B 110 8.019 -5.064 -6.614 1.00 0.00 C ATOM 1449 C ASP B 110 6.790 -4.359 -6.047 1.00 0.00 C ATOM 1450 O ASP B 110 5.747 -4.260 -6.693 1.00 0.00 O ATOM 1451 CB ASP B 110 7.772 -6.575 -6.726 1.00 0.00 C ATOM 1452 CG ASP B 110 6.739 -6.926 -7.772 1.00 0.00 C ATOM 1453 OD1 ASP B 110 6.902 -6.503 -8.934 1.00 0.00 O ATOM 1454 OD2 ASP B 110 5.772 -7.636 -7.437 1.00 0.00 O ATOM 0 H ASP B 110 9.289 -5.506 -5.011 1.00 0.00 H new ATOM 0 HA ASP B 110 8.222 -4.675 -7.612 1.00 0.00 H new ATOM 0 HB2 ASP B 110 8.710 -7.075 -6.967 1.00 0.00 H new ATOM 0 HB3 ASP B 110 7.447 -6.958 -5.759 1.00 0.00 H new ATOM 1459 N HIS B 111 6.936 -3.866 -4.822 1.00 0.00 N ATOM 1460 CA HIS B 111 5.863 -3.159 -4.128 1.00 0.00 C ATOM 1461 C HIS B 111 6.215 -1.674 -3.998 1.00 0.00 C ATOM 1462 O HIS B 111 6.410 -1.167 -2.889 1.00 0.00 O ATOM 1463 CB HIS B 111 5.653 -3.762 -2.728 1.00 0.00 C ATOM 1464 CG HIS B 111 5.625 -5.264 -2.698 1.00 0.00 C ATOM 1465 ND1 HIS B 111 4.645 -6.015 -3.312 1.00 0.00 N ATOM 1466 CD2 HIS B 111 6.475 -6.157 -2.123 1.00 0.00 C ATOM 1467 CE1 HIS B 111 4.887 -7.301 -3.117 1.00 0.00 C ATOM 1468 NE2 HIS B 111 5.990 -7.414 -2.400 1.00 0.00 N ATOM 0 H HIS B 111 7.798 -3.944 -4.283 1.00 0.00 H new ATOM 0 HA HIS B 111 4.944 -3.263 -4.705 1.00 0.00 H new ATOM 0 HB2 HIS B 111 6.450 -3.412 -2.072 1.00 0.00 H new ATOM 0 HB3 HIS B 111 4.715 -3.385 -2.320 1.00 0.00 H new ATOM 0 HD2 HIS B 111 7.364 -5.923 -1.556 1.00 0.00 H new ATOM 0 HE1 HIS B 111 4.285 -8.120 -3.482 1.00 0.00 H new ATOM 0 HE2 HIS B 111 6.414 -8.292 -2.100 1.00 0.00 H new ATOM 1476 N CYS B 112 6.307 -0.980 -5.128 1.00 0.00 N ATOM 1477 CA CYS B 112 6.658 0.440 -5.138 1.00 0.00 C ATOM 1478 C CYS B 112 5.433 1.329 -5.075 1.00 0.00 C ATOM 1479 O CYS B 112 5.377 2.362 -5.742 1.00 0.00 O ATOM 1480 CB CYS B 112 7.452 0.788 -6.396 1.00 0.00 C ATOM 1481 SG CYS B 112 9.252 0.641 -6.210 1.00 0.00 S ATOM 0 H CYS B 112 6.143 -1.378 -6.053 1.00 0.00 H new ATOM 0 HA CYS B 112 7.264 0.619 -4.250 1.00 0.00 H new ATOM 0 HB2 CYS B 112 7.128 0.136 -7.207 1.00 0.00 H new ATOM 0 HB3 CYS B 112 7.212 1.809 -6.692 1.00 0.00 H new ATOM 1486 N HIS B 113 4.454 0.944 -4.282 1.00 0.00 N ATOM 1487 CA HIS B 113 3.249 1.729 -4.169 1.00 0.00 C ATOM 1488 C HIS B 113 2.712 1.718 -2.744 1.00 0.00 C ATOM 1489 O HIS B 113 1.873 2.542 -2.381 1.00 0.00 O ATOM 1490 CB HIS B 113 2.189 1.225 -5.153 1.00 0.00 C ATOM 1491 CG HIS B 113 1.804 -0.210 -4.966 1.00 0.00 C ATOM 1492 ND1 HIS B 113 2.711 -1.250 -4.994 1.00 0.00 N ATOM 1493 CD2 HIS B 113 0.600 -0.773 -4.744 1.00 0.00 C ATOM 1494 CE1 HIS B 113 2.078 -2.390 -4.797 1.00 0.00 C ATOM 1495 NE2 HIS B 113 0.792 -2.130 -4.638 1.00 0.00 N ATOM 0 H HIS B 113 4.471 0.099 -3.712 1.00 0.00 H new ATOM 0 HA HIS B 113 3.494 2.761 -4.421 1.00 0.00 H new ATOM 0 HB2 HIS B 113 1.297 1.844 -5.055 1.00 0.00 H new ATOM 0 HB3 HIS B 113 2.561 1.359 -6.169 1.00 0.00 H new ATOM 0 HD2 HIS B 113 -0.343 -0.253 -4.664 1.00 0.00 H new ATOM 0 HE1 HIS B 113 2.533 -3.369 -4.770 1.00 0.00 H new ATOM 0 HE2 HIS B 113 0.063 -2.822 -4.465 1.00 0.00 H new ATOM 1503 N GLY B 114 3.204 0.783 -1.938 1.00 0.00 N ATOM 1504 CA GLY B 114 2.762 0.685 -0.562 1.00 0.00 C ATOM 1505 C GLY B 114 3.390 1.738 0.333 1.00 0.00 C ATOM 1506 O GLY B 114 3.877 2.763 -0.145 1.00 0.00 O ATOM 0 H GLY B 114 3.901 0.092 -2.215 1.00 0.00 H new ATOM 0 HA2 GLY B 114 1.677 0.784 -0.526 1.00 0.00 H new ATOM 0 HA3 GLY B 114 3.005 -0.305 -0.177 1.00 0.00 H new ATOM 1510 N VAL B 115 3.376 1.481 1.636 1.00 0.00 N ATOM 1511 CA VAL B 115 3.931 2.404 2.629 1.00 0.00 C ATOM 1512 C VAL B 115 5.442 2.603 2.499 1.00 0.00 C ATOM 1513 O VAL B 115 6.018 3.433 3.198 1.00 0.00 O ATOM 1514 CB VAL B 115 3.613 1.923 4.056 1.00 0.00 C ATOM 1515 CG1 VAL B 115 2.119 1.992 4.325 1.00 0.00 C ATOM 1516 CG2 VAL B 115 4.123 0.506 4.269 1.00 0.00 C ATOM 0 H VAL B 115 2.981 0.630 2.037 1.00 0.00 H new ATOM 0 HA VAL B 115 3.455 3.365 2.435 1.00 0.00 H new ATOM 0 HB VAL B 115 4.121 2.584 4.759 1.00 0.00 H new ATOM 0 HG11 VAL B 115 1.916 1.648 5.339 1.00 0.00 H new ATOM 0 HG12 VAL B 115 1.777 3.021 4.216 1.00 0.00 H new ATOM 0 HG13 VAL B 115 1.591 1.357 3.613 1.00 0.00 H new ATOM 0 HG21 VAL B 115 3.889 0.184 5.284 1.00 0.00 H new ATOM 0 HG22 VAL B 115 3.644 -0.164 3.556 1.00 0.00 H new ATOM 0 HG23 VAL B 115 5.203 0.482 4.121 1.00 0.00 H new ATOM 1526 N CYS B 116 6.092 1.870 1.603 1.00 0.00 N ATOM 1527 CA CYS B 116 7.530 2.037 1.424 1.00 0.00 C ATOM 1528 C CYS B 116 7.786 3.276 0.584 1.00 0.00 C ATOM 1529 O CYS B 116 8.850 3.888 0.644 1.00 0.00 O ATOM 1530 CB CYS B 116 8.150 0.816 0.756 1.00 0.00 C ATOM 1531 SG CYS B 116 9.955 0.683 0.989 1.00 0.00 S ATOM 0 H CYS B 116 5.659 1.169 1.001 1.00 0.00 H new ATOM 0 HA CYS B 116 7.993 2.150 2.404 1.00 0.00 H new ATOM 0 HB2 CYS B 116 7.675 -0.082 1.151 1.00 0.00 H new ATOM 0 HB3 CYS B 116 7.933 0.848 -0.312 1.00 0.00 H new ATOM 1536 N LYS B 117 6.777 3.646 -0.191 1.00 0.00 N ATOM 1537 CA LYS B 117 6.840 4.812 -1.043 1.00 0.00 C ATOM 1538 C LYS B 117 6.535 6.078 -0.230 1.00 0.00 C ATOM 1539 O LYS B 117 6.703 7.201 -0.706 1.00 0.00 O ATOM 1540 CB LYS B 117 5.862 4.626 -2.206 1.00 0.00 C ATOM 1541 CG LYS B 117 5.749 5.832 -3.103 1.00 0.00 C ATOM 1542 CD LYS B 117 5.416 5.448 -4.539 1.00 0.00 C ATOM 1543 CE LYS B 117 6.661 5.452 -5.416 1.00 0.00 C ATOM 1544 NZ LYS B 117 6.395 4.869 -6.761 1.00 0.00 N ATOM 0 H LYS B 117 5.892 3.141 -0.243 1.00 0.00 H new ATOM 0 HA LYS B 117 7.843 4.930 -1.452 1.00 0.00 H new ATOM 0 HB2 LYS B 117 6.179 3.770 -2.802 1.00 0.00 H new ATOM 0 HB3 LYS B 117 4.876 4.389 -1.806 1.00 0.00 H new ATOM 0 HG2 LYS B 117 4.977 6.499 -2.718 1.00 0.00 H new ATOM 0 HG3 LYS B 117 6.687 6.386 -3.085 1.00 0.00 H new ATOM 0 HD2 LYS B 117 4.960 4.458 -4.556 1.00 0.00 H new ATOM 0 HD3 LYS B 117 4.682 6.145 -4.943 1.00 0.00 H new ATOM 0 HE2 LYS B 117 7.023 6.474 -5.528 1.00 0.00 H new ATOM 0 HE3 LYS B 117 7.453 4.886 -4.925 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 7.285 4.812 -7.297 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 5.994 3.915 -6.653 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 5.720 5.472 -7.274 1.00 0.00 H new ATOM 1558 N ASP B 118 6.124 5.882 1.022 1.00 0.00 N ATOM 1559 CA ASP B 118 5.837 6.992 1.924 1.00 0.00 C ATOM 1560 C ASP B 118 7.128 7.763 2.203 1.00 0.00 C ATOM 1561 O ASP B 118 7.118 8.984 2.373 1.00 0.00 O ATOM 1562 CB ASP B 118 5.197 6.459 3.220 1.00 0.00 C ATOM 1563 CG ASP B 118 4.989 7.515 4.288 1.00 0.00 C ATOM 1564 OD1 ASP B 118 5.981 7.976 4.886 1.00 0.00 O ATOM 1565 OD2 ASP B 118 3.823 7.875 4.541 1.00 0.00 O ATOM 0 H ASP B 118 5.982 4.960 1.434 1.00 0.00 H new ATOM 0 HA ASP B 118 5.126 7.677 1.463 1.00 0.00 H new ATOM 0 HB2 ASP B 118 4.235 6.008 2.978 1.00 0.00 H new ATOM 0 HB3 ASP B 118 5.828 5.667 3.625 1.00 0.00 H new ATOM 1570 N LEU B 119 8.245 7.040 2.205 1.00 0.00 N ATOM 1571 CA LEU B 119 9.554 7.647 2.420 1.00 0.00 C ATOM 1572 C LEU B 119 10.407 7.526 1.154 1.00 0.00 C ATOM 1573 O LEU B 119 11.495 8.100 1.073 1.00 0.00 O ATOM 1574 CB LEU B 119 10.280 6.982 3.597 1.00 0.00 C ATOM 1575 CG LEU B 119 11.541 7.711 4.067 1.00 0.00 C ATOM 1576 CD1 LEU B 119 11.179 8.952 4.860 1.00 0.00 C ATOM 1577 CD2 LEU B 119 12.428 6.796 4.890 1.00 0.00 C ATOM 0 H LEU B 119 8.269 6.031 2.060 1.00 0.00 H new ATOM 0 HA LEU B 119 9.403 8.701 2.655 1.00 0.00 H new ATOM 0 HB2 LEU B 119 9.588 6.905 4.436 1.00 0.00 H new ATOM 0 HB3 LEU B 119 10.550 5.965 3.312 1.00 0.00 H new ATOM 0 HG LEU B 119 12.099 8.016 3.182 1.00 0.00 H new ATOM 0 HD11 LEU B 119 12.090 9.455 5.184 1.00 0.00 H new ATOM 0 HD12 LEU B 119 10.595 9.627 4.234 1.00 0.00 H new ATOM 0 HD13 LEU B 119 10.591 8.668 5.733 1.00 0.00 H new ATOM 0 HD21 LEU B 119 13.316 7.341 5.210 1.00 0.00 H new ATOM 0 HD22 LEU B 119 11.880 6.449 5.766 1.00 0.00 H new ATOM 0 HD23 LEU B 119 12.726 5.939 4.286 1.00 0.00 H new ATOM 1589 N HIS B 120 9.897 6.767 0.176 1.00 0.00 N ATOM 1590 CA HIS B 120 10.585 6.537 -1.103 1.00 0.00 C ATOM 1591 C HIS B 120 11.860 5.730 -0.900 1.00 0.00 C ATOM 1592 O HIS B 120 12.960 6.285 -0.870 1.00 0.00 O ATOM 1593 CB HIS B 120 10.915 7.856 -1.812 1.00 0.00 C ATOM 1594 CG HIS B 120 9.712 8.635 -2.232 1.00 0.00 C ATOM 1595 ND1 HIS B 120 8.811 8.184 -3.171 1.00 0.00 N ATOM 1596 CD2 HIS B 120 9.260 9.844 -1.828 1.00 0.00 C ATOM 1597 CE1 HIS B 120 7.856 9.082 -3.328 1.00 0.00 C ATOM 1598 NE2 HIS B 120 8.104 10.100 -2.521 1.00 0.00 N ATOM 0 H HIS B 120 8.996 6.295 0.248 1.00 0.00 H new ATOM 0 HA HIS B 120 9.902 5.969 -1.735 1.00 0.00 H new ATOM 0 HB2 HIS B 120 11.521 8.472 -1.148 1.00 0.00 H new ATOM 0 HB3 HIS B 120 11.523 7.642 -2.691 1.00 0.00 H new ATOM 0 HD2 HIS B 120 9.723 10.488 -1.096 1.00 0.00 H new ATOM 0 HE1 HIS B 120 7.015 8.999 -4.001 1.00 0.00 H new ATOM 0 HE2 HIS B 120 7.530 10.938 -2.429 1.00 0.00 H new ATOM 1606 N LEU B 121 11.715 4.418 -0.755 1.00 0.00 N ATOM 1607 CA LEU B 121 12.866 3.554 -0.548 1.00 0.00 C ATOM 1608 C LEU B 121 13.059 2.555 -1.689 1.00 0.00 C ATOM 1609 O LEU B 121 13.958 1.715 -1.634 1.00 0.00 O ATOM 1610 CB LEU B 121 12.756 2.825 0.790 1.00 0.00 C ATOM 1611 CG LEU B 121 12.779 3.735 2.021 1.00 0.00 C ATOM 1612 CD1 LEU B 121 12.565 2.928 3.287 1.00 0.00 C ATOM 1613 CD2 LEU B 121 14.089 4.502 2.099 1.00 0.00 C ATOM 0 H LEU B 121 10.817 3.934 -0.777 1.00 0.00 H new ATOM 0 HA LEU B 121 13.747 4.195 -0.533 1.00 0.00 H new ATOM 0 HB2 LEU B 121 11.831 2.249 0.799 1.00 0.00 H new ATOM 0 HB3 LEU B 121 13.576 2.112 0.868 1.00 0.00 H new ATOM 0 HG LEU B 121 11.964 4.453 1.926 1.00 0.00 H new ATOM 0 HD11 LEU B 121 12.585 3.593 4.150 1.00 0.00 H new ATOM 0 HD12 LEU B 121 11.599 2.425 3.239 1.00 0.00 H new ATOM 0 HD13 LEU B 121 13.357 2.185 3.383 1.00 0.00 H new ATOM 0 HD21 LEU B 121 14.084 5.142 2.981 1.00 0.00 H new ATOM 0 HD22 LEU B 121 14.919 3.799 2.166 1.00 0.00 H new ATOM 0 HD23 LEU B 121 14.205 5.116 1.206 1.00 0.00 H new ATOM 1625 N CYS B 122 12.244 2.660 -2.733 1.00 0.00 N ATOM 1626 CA CYS B 122 12.379 1.777 -3.888 1.00 0.00 C ATOM 1627 C CYS B 122 12.393 2.613 -5.164 1.00 0.00 C ATOM 1628 O CYS B 122 12.503 3.851 -5.056 1.00 0.00 O ATOM 1629 CB CYS B 122 11.254 0.733 -3.973 1.00 0.00 C ATOM 1630 SG CYS B 122 9.617 1.422 -4.369 1.00 0.00 S ATOM 1631 OXT CYS B 122 12.292 2.033 -6.260 1.00 0.00 O ATOM 0 H CYS B 122 11.489 3.342 -2.805 1.00 0.00 H new ATOM 0 HA CYS B 122 13.316 1.233 -3.772 1.00 0.00 H new ATOM 0 HB2 CYS B 122 11.517 -0.005 -4.730 1.00 0.00 H new ATOM 0 HB3 CYS B 122 11.192 0.205 -3.021 1.00 0.00 H new