USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 659 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 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -88:sc= 0.187 USER MOD Single : A 39 SER OG : rot -18:sc= 0.329 USER MOD Single : A 40 CYS SG : rot 38:sc= 1.48 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 144:sc= 0.71 (180deg=0.122) USER MOD Single : A 69 GLN : amide:sc= -0.0557 X(o=-0.056,f=-0.056) USER MOD Single : A 71 LYS NZ :NH3+ -164:sc= -2.44! (180deg=-3.24!) USER MOD Single : A 72 SER OG : rot 152:sc= 0.359 USER MOD Single : A 74 THR OG1 : rot 145:sc= 0.0371 USER MOD Single : A 80 SER OG : rot 45:sc= 1.25 USER MOD Single : A 83 GLN : amide:sc= -0.992 K(o=-0.99,f=-3.5!) USER MOD Single : A 84 LYS NZ :NH3+ 139:sc= -1.08 (180deg=-3.94!) USER MOD Single : A 85 ASN : amide:sc= 0.165 K(o=0.16,f=-0.9) USER MOD Single : A 86 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0862) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= -0.0863 X(o=-0.086,f=-0.086) USER MOD Single : A 98 MET CE :methyl -171:sc= -0.275 (180deg=-0.437) USER MOD Single : A 100 HIS : no HD1:sc= -5.37! C(o=-5.4!,f=-7.1!) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 93:sc= 1.04 USER MOD Single : A 109 ASN : amide:sc= 1.11 K(o=1.1,f=-0.0003) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 224 N HIS A 19 -1.973 -1.348 10.954 1.00 0.00 N ATOM 225 CA HIS A 19 -2.766 -1.687 9.776 1.00 0.00 C ATOM 226 C HIS A 19 -2.945 -3.190 9.617 1.00 0.00 C ATOM 227 O HIS A 19 -3.198 -3.663 8.521 1.00 0.00 O ATOM 228 CB HIS A 19 -2.127 -1.105 8.511 1.00 0.00 C ATOM 229 CG HIS A 19 -2.257 0.383 8.398 1.00 0.00 C ATOM 230 ND1 HIS A 19 -1.437 1.281 9.044 1.00 0.00 N ATOM 231 CD2 HIS A 19 -3.146 1.128 7.695 1.00 0.00 C ATOM 232 CE1 HIS A 19 -1.846 2.516 8.721 1.00 0.00 C ATOM 233 NE2 HIS A 19 -2.879 2.477 7.904 1.00 0.00 N ATOM 0 HA HIS A 19 -3.753 -1.247 9.920 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -1.070 -1.370 8.494 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.586 -1.568 7.637 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.936 0.736 7.072 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -1.388 3.425 9.083 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -3.380 3.272 7.507 1.00 0.00 H new ATOM 240 N THR A 20 -2.788 -3.947 10.695 1.00 0.00 N ATOM 241 CA THR A 20 -2.937 -5.397 10.614 1.00 0.00 C ATOM 242 C THR A 20 -4.414 -5.807 10.595 1.00 0.00 C ATOM 243 O THR A 20 -5.124 -5.641 11.588 1.00 0.00 O ATOM 244 CB THR A 20 -2.239 -6.087 11.803 1.00 0.00 C ATOM 245 OG1 THR A 20 -0.901 -5.592 11.939 1.00 0.00 O ATOM 246 CG2 THR A 20 -2.200 -7.598 11.617 1.00 0.00 C ATOM 0 H THR A 20 -2.561 -3.590 11.623 1.00 0.00 H new ATOM 0 HA THR A 20 -2.469 -5.715 9.682 1.00 0.00 H new ATOM 0 HB THR A 20 -2.810 -5.862 12.704 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.464 -6.033 12.697 1.00 0.00 H new ATOM 0 HG21 THR A 20 -1.702 -8.057 12.471 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.217 -7.982 11.541 1.00 0.00 H new ATOM 0 HG23 THR A 20 -1.653 -7.838 10.706 1.00 0.00 H new ATOM 254 N LEU A 21 -4.861 -6.362 9.462 1.00 0.00 N ATOM 255 CA LEU A 21 -6.245 -6.820 9.297 1.00 0.00 C ATOM 256 C LEU A 21 -6.330 -7.921 8.233 1.00 0.00 C ATOM 257 O LEU A 21 -5.353 -8.191 7.535 1.00 0.00 O ATOM 258 CB LEU A 21 -7.179 -5.658 8.945 1.00 0.00 C ATOM 259 CG LEU A 21 -7.639 -4.810 10.139 1.00 0.00 C ATOM 260 CD1 LEU A 21 -8.299 -3.524 9.668 1.00 0.00 C ATOM 261 CD2 LEU A 21 -8.592 -5.603 11.021 1.00 0.00 C ATOM 0 H LEU A 21 -4.277 -6.506 8.638 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.572 -7.235 10.251 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.673 -5.008 8.231 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.059 -6.059 8.443 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.759 -4.547 10.726 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.616 -2.940 10.532 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.588 -2.944 9.080 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.167 -3.764 9.054 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.908 -4.986 11.862 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.465 -5.898 10.440 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.087 -6.494 11.394 1.00 0.00 H new ATOM 273 N LEU A 22 -7.501 -8.556 8.127 1.00 0.00 N ATOM 274 CA LEU A 22 -7.717 -9.660 7.178 1.00 0.00 C ATOM 275 C LEU A 22 -7.580 -9.261 5.698 1.00 0.00 C ATOM 276 O LEU A 22 -6.859 -9.918 4.948 1.00 0.00 O ATOM 277 CB LEU A 22 -9.105 -10.271 7.415 1.00 0.00 C ATOM 278 CG LEU A 22 -9.491 -11.418 6.474 1.00 0.00 C ATOM 279 CD1 LEU A 22 -8.540 -12.595 6.637 1.00 0.00 C ATOM 280 CD2 LEU A 22 -10.927 -11.852 6.729 1.00 0.00 C ATOM 0 H LEU A 22 -8.320 -8.325 8.689 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.925 -10.384 7.370 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.152 -10.635 8.441 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.851 -9.482 7.322 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.414 -11.059 5.448 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.834 -13.397 5.959 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.524 -12.277 6.404 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.580 -12.956 7.665 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.186 -12.667 6.053 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.027 -12.190 7.760 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.598 -11.010 6.556 1.00 0.00 H new ATOM 292 N PHE A 23 -8.260 -8.194 5.271 1.00 0.00 N ATOM 293 CA PHE A 23 -8.191 -7.775 3.863 1.00 0.00 C ATOM 294 C PHE A 23 -7.088 -6.752 3.637 1.00 0.00 C ATOM 295 O PHE A 23 -6.429 -6.746 2.595 1.00 0.00 O ATOM 296 CB PHE A 23 -9.534 -7.204 3.401 1.00 0.00 C ATOM 297 CG PHE A 23 -10.664 -8.195 3.460 1.00 0.00 C ATOM 298 CD1 PHE A 23 -11.560 -8.182 4.517 1.00 0.00 C ATOM 299 CD2 PHE A 23 -10.824 -9.142 2.460 1.00 0.00 C ATOM 300 CE1 PHE A 23 -12.596 -9.095 4.575 1.00 0.00 C ATOM 301 CE2 PHE A 23 -11.859 -10.056 2.515 1.00 0.00 C ATOM 302 CZ PHE A 23 -12.745 -10.034 3.572 1.00 0.00 C ATOM 0 H PHE A 23 -8.854 -7.613 5.863 1.00 0.00 H new ATOM 0 HA PHE A 23 -7.959 -8.661 3.272 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -9.785 -6.343 4.020 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -9.432 -6.842 2.378 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -11.448 -7.451 5.304 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -10.133 -9.166 1.630 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -13.289 -9.075 5.403 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -11.974 -10.788 1.730 1.00 0.00 H new ATOM 0 HZ PHE A 23 -13.553 -10.749 3.616 1.00 0.00 H new ATOM 312 N ASP A 24 -6.896 -5.889 4.616 1.00 0.00 N ATOM 313 CA ASP A 24 -5.864 -4.867 4.558 1.00 0.00 C ATOM 314 C ASP A 24 -4.723 -5.257 5.477 1.00 0.00 C ATOM 315 O ASP A 24 -4.572 -4.695 6.555 1.00 0.00 O ATOM 316 CB ASP A 24 -6.385 -3.453 4.881 1.00 0.00 C ATOM 317 CG ASP A 24 -7.192 -3.363 6.163 1.00 0.00 C ATOM 318 OD1 ASP A 24 -8.030 -4.253 6.410 1.00 0.00 O ATOM 319 OD2 ASP A 24 -6.993 -2.387 6.916 1.00 0.00 O ATOM 0 H ASP A 24 -7.449 -5.875 5.473 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.509 -4.815 3.529 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.536 -2.773 4.951 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.002 -3.108 4.052 1.00 0.00 H new ATOM 324 N LEU A 25 -3.989 -6.290 5.062 1.00 0.00 N ATOM 325 CA LEU A 25 -2.846 -6.831 5.808 1.00 0.00 C ATOM 326 C LEU A 25 -1.925 -5.719 6.332 1.00 0.00 C ATOM 327 O LEU A 25 -1.944 -4.601 5.812 1.00 0.00 O ATOM 328 CB LEU A 25 -2.053 -7.777 4.893 1.00 0.00 C ATOM 329 CG LEU A 25 -2.810 -9.034 4.450 1.00 0.00 C ATOM 330 CD1 LEU A 25 -2.005 -9.819 3.428 1.00 0.00 C ATOM 331 CD2 LEU A 25 -3.150 -9.907 5.648 1.00 0.00 C ATOM 0 H LEU A 25 -4.172 -6.783 4.188 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.229 -7.372 6.673 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.744 -7.225 4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.144 -8.082 5.411 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.741 -8.719 3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.563 -10.706 3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.820 -9.195 2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.054 -10.120 3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.687 -10.794 5.311 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.231 -10.208 6.151 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.776 -9.345 6.342 1.00 0.00 H new ATOM 343 N PRO A 26 -1.110 -6.031 7.378 1.00 0.00 N ATOM 344 CA PRO A 26 -0.174 -5.086 8.027 1.00 0.00 C ATOM 345 C PRO A 26 0.562 -4.153 7.059 1.00 0.00 C ATOM 346 O PRO A 26 0.601 -4.396 5.851 1.00 0.00 O ATOM 347 CB PRO A 26 0.836 -6.016 8.736 1.00 0.00 C ATOM 348 CG PRO A 26 0.413 -7.418 8.422 1.00 0.00 C ATOM 349 CD PRO A 26 -1.030 -7.345 8.023 1.00 0.00 C ATOM 0 HA PRO A 26 -0.714 -4.406 8.685 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.850 -5.828 8.384 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.835 -5.842 9.812 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.018 -7.835 7.617 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.544 -8.067 9.288 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.305 -8.150 7.341 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.694 -7.416 8.884 1.00 0.00 H new ATOM 357 N PRO A 27 1.195 -3.079 7.602 1.00 0.00 N ATOM 358 CA PRO A 27 1.928 -2.073 6.819 1.00 0.00 C ATOM 359 C PRO A 27 2.916 -2.642 5.806 1.00 0.00 C ATOM 360 O PRO A 27 3.458 -1.899 5.011 1.00 0.00 O ATOM 361 CB PRO A 27 2.689 -1.273 7.864 1.00 0.00 C ATOM 362 CG PRO A 27 1.855 -1.374 9.081 1.00 0.00 C ATOM 363 CD PRO A 27 1.217 -2.741 9.038 1.00 0.00 C ATOM 0 HA PRO A 27 1.224 -1.498 6.217 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.686 -1.682 8.030 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.817 -0.236 7.555 1.00 0.00 H new ATOM 0 HG2 PRO A 27 2.460 -1.254 9.979 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.097 -0.591 9.101 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.793 -3.468 9.611 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.212 -2.726 9.460 1.00 0.00 H new ATOM 371 N ALA A 28 3.160 -3.942 5.843 1.00 0.00 N ATOM 372 CA ALA A 28 4.082 -4.564 4.910 1.00 0.00 C ATOM 373 C ALA A 28 3.667 -4.257 3.471 1.00 0.00 C ATOM 374 O ALA A 28 4.519 -4.053 2.608 1.00 0.00 O ATOM 375 CB ALA A 28 4.130 -6.067 5.140 1.00 0.00 C ATOM 0 H ALA A 28 2.732 -4.585 6.509 1.00 0.00 H new ATOM 0 HA ALA A 28 5.079 -4.155 5.078 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.825 -6.521 4.434 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.463 -6.269 6.158 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.136 -6.489 4.993 1.00 0.00 H new ATOM 381 N LEU A 29 2.357 -4.216 3.210 1.00 0.00 N ATOM 382 CA LEU A 29 1.886 -3.909 1.864 1.00 0.00 C ATOM 383 C LEU A 29 1.266 -2.511 1.759 1.00 0.00 C ATOM 384 O LEU A 29 1.916 -1.578 1.300 1.00 0.00 O ATOM 385 CB LEU A 29 0.877 -4.956 1.389 1.00 0.00 C ATOM 386 CG LEU A 29 1.021 -5.338 -0.079 1.00 0.00 C ATOM 387 CD1 LEU A 29 2.434 -5.826 -0.354 1.00 0.00 C ATOM 388 CD2 LEU A 29 0.004 -6.396 -0.462 1.00 0.00 C ATOM 0 H LEU A 29 1.623 -4.387 3.897 1.00 0.00 H new ATOM 0 HA LEU A 29 2.765 -3.929 1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.986 -5.853 1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.131 -4.576 1.557 1.00 0.00 H new ATOM 0 HG LEU A 29 0.832 -4.455 -0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.527 -6.097 -1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.145 -5.034 -0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.645 -6.698 0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.125 -6.653 -1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.157 -7.286 0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.002 -6.010 -0.296 1.00 0.00 H new ATOM 400 N LEU A 30 0.023 -2.362 2.215 1.00 0.00 N ATOM 401 CA LEU A 30 -0.693 -1.086 2.130 1.00 0.00 C ATOM 402 C LEU A 30 0.003 0.051 2.881 1.00 0.00 C ATOM 403 O LEU A 30 0.193 1.127 2.325 1.00 0.00 O ATOM 404 CB LEU A 30 -2.123 -1.272 2.663 1.00 0.00 C ATOM 405 CG LEU A 30 -3.022 -0.032 2.613 1.00 0.00 C ATOM 406 CD1 LEU A 30 -4.345 -0.363 1.939 1.00 0.00 C ATOM 407 CD2 LEU A 30 -3.264 0.516 4.011 1.00 0.00 C ATOM 0 H LEU A 30 -0.513 -3.113 2.650 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.709 -0.795 1.080 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.602 -2.068 2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.063 -1.612 3.697 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.514 0.734 2.028 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.972 0.528 1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.159 -0.707 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.853 -1.147 2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.905 1.396 3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.750 -0.245 4.621 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.311 0.791 4.464 1.00 0.00 H new ATOM 419 N GLY A 31 0.398 -0.191 4.130 1.00 0.00 N ATOM 420 CA GLY A 31 1.034 0.859 4.918 1.00 0.00 C ATOM 421 C GLY A 31 2.348 1.372 4.341 1.00 0.00 C ATOM 422 O GLY A 31 2.527 2.577 4.175 1.00 0.00 O ATOM 0 H GLY A 31 0.292 -1.085 4.609 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.342 1.696 5.012 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.216 0.481 5.924 1.00 0.00 H new ATOM 426 N GLU A 32 3.256 0.459 4.026 1.00 0.00 N ATOM 427 CA GLU A 32 4.567 0.813 3.489 1.00 0.00 C ATOM 428 C GLU A 32 4.499 1.338 2.059 1.00 0.00 C ATOM 429 O GLU A 32 5.158 2.321 1.732 1.00 0.00 O ATOM 430 CB GLU A 32 5.499 -0.401 3.572 1.00 0.00 C ATOM 431 CG GLU A 32 6.955 -0.105 3.230 1.00 0.00 C ATOM 432 CD GLU A 32 7.267 -0.268 1.756 1.00 0.00 C ATOM 433 OE1 GLU A 32 6.563 -1.050 1.085 1.00 0.00 O ATOM 434 OE2 GLU A 32 8.220 0.380 1.276 1.00 0.00 O ATOM 0 H GLU A 32 3.108 -0.544 4.134 1.00 0.00 H new ATOM 0 HA GLU A 32 4.961 1.627 4.097 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.452 -0.811 4.581 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.130 -1.173 2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.193 0.914 3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.599 -0.769 3.807 1.00 0.00 H new ATOM 441 N LEU A 33 3.707 0.692 1.210 1.00 0.00 N ATOM 442 CA LEU A 33 3.611 1.111 -0.184 1.00 0.00 C ATOM 443 C LEU A 33 2.945 2.479 -0.331 1.00 0.00 C ATOM 444 O LEU A 33 3.337 3.265 -1.189 1.00 0.00 O ATOM 445 CB LEU A 33 2.899 0.058 -1.043 1.00 0.00 C ATOM 446 CG LEU A 33 3.639 -1.278 -1.171 1.00 0.00 C ATOM 447 CD1 LEU A 33 2.823 -2.268 -1.986 1.00 0.00 C ATOM 448 CD2 LEU A 33 5.016 -1.078 -1.785 1.00 0.00 C ATOM 0 H LEU A 33 3.130 -0.112 1.457 1.00 0.00 H new ATOM 0 HA LEU A 33 4.633 1.207 -0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.912 -0.129 -0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.745 0.468 -2.041 1.00 0.00 H new ATOM 0 HG LEU A 33 3.773 -1.689 -0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.366 -3.210 -2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.865 -2.442 -1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.651 -1.864 -2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.522 -2.040 -1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.912 -0.639 -2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.603 -0.412 -1.153 1.00 0.00 H new ATOM 460 N CYS A 34 1.927 2.766 0.480 1.00 0.00 N ATOM 461 CA CYS A 34 1.256 4.062 0.387 1.00 0.00 C ATOM 462 C CYS A 34 2.104 5.183 0.998 1.00 0.00 C ATOM 463 O CYS A 34 2.058 6.324 0.543 1.00 0.00 O ATOM 464 CB CYS A 34 -0.120 4.030 1.066 1.00 0.00 C ATOM 465 SG CYS A 34 -0.069 4.022 2.875 1.00 0.00 S ATOM 0 H CYS A 34 1.556 2.137 1.192 1.00 0.00 H new ATOM 0 HA CYS A 34 1.120 4.268 -0.675 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.693 4.896 0.736 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.657 3.144 0.727 1.00 0.00 H new ATOM 0 HG CYS A 34 0.016 2.797 3.301 1.00 0.00 H new ATOM 471 N ALA A 35 2.886 4.852 2.027 1.00 0.00 N ATOM 472 CA ALA A 35 3.712 5.845 2.712 1.00 0.00 C ATOM 473 C ALA A 35 5.071 6.076 2.050 1.00 0.00 C ATOM 474 O ALA A 35 5.392 7.198 1.654 1.00 0.00 O ATOM 475 CB ALA A 35 3.910 5.440 4.166 1.00 0.00 C ATOM 0 H ALA A 35 2.964 3.907 2.403 1.00 0.00 H new ATOM 0 HA ALA A 35 3.172 6.790 2.648 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.526 6.184 4.670 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.941 5.376 4.661 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.405 4.470 4.209 1.00 0.00 H new ATOM 481 N VAL A 36 5.862 5.013 1.930 1.00 0.00 N ATOM 482 CA VAL A 36 7.208 5.103 1.360 1.00 0.00 C ATOM 483 C VAL A 36 7.201 5.541 -0.107 1.00 0.00 C ATOM 484 O VAL A 36 7.982 6.411 -0.500 1.00 0.00 O ATOM 485 CB VAL A 36 7.966 3.762 1.506 1.00 0.00 C ATOM 486 CG1 VAL A 36 9.277 3.777 0.729 1.00 0.00 C ATOM 487 CG2 VAL A 36 8.225 3.461 2.977 1.00 0.00 C ATOM 0 H VAL A 36 5.594 4.073 2.221 1.00 0.00 H new ATOM 0 HA VAL A 36 7.728 5.873 1.929 1.00 0.00 H new ATOM 0 HB VAL A 36 7.339 2.975 1.087 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.784 2.820 0.853 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.071 3.945 -0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.914 4.577 1.106 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.759 2.515 3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.827 4.260 3.411 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.275 3.393 3.507 1.00 0.00 H new ATOM 497 N LEU A 37 6.313 4.964 -0.916 1.00 0.00 N ATOM 498 CA LEU A 37 6.266 5.312 -2.332 1.00 0.00 C ATOM 499 C LEU A 37 5.696 6.710 -2.546 1.00 0.00 C ATOM 500 O LEU A 37 5.888 7.310 -3.601 1.00 0.00 O ATOM 501 CB LEU A 37 5.467 4.291 -3.143 1.00 0.00 C ATOM 502 CG LEU A 37 5.987 2.857 -3.072 1.00 0.00 C ATOM 503 CD1 LEU A 37 5.161 1.953 -3.964 1.00 0.00 C ATOM 504 CD2 LEU A 37 7.453 2.803 -3.459 1.00 0.00 C ATOM 0 H LEU A 37 5.629 4.267 -0.621 1.00 0.00 H new ATOM 0 HA LEU A 37 7.296 5.299 -2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.434 4.304 -2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.457 4.606 -4.186 1.00 0.00 H new ATOM 0 HG LEU A 37 5.894 2.503 -2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.543 0.934 -3.903 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.121 1.971 -3.637 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.223 2.303 -4.994 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.806 1.773 -3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.574 3.173 -4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.033 3.424 -2.776 1.00 0.00 H new ATOM 516 N ASP A 38 4.979 7.225 -1.549 1.00 0.00 N ATOM 517 CA ASP A 38 4.404 8.564 -1.637 1.00 0.00 C ATOM 518 C ASP A 38 5.503 9.611 -1.785 1.00 0.00 C ATOM 519 O ASP A 38 5.353 10.591 -2.511 1.00 0.00 O ATOM 520 CB ASP A 38 3.553 8.877 -0.405 1.00 0.00 C ATOM 521 CG ASP A 38 2.751 10.151 -0.567 1.00 0.00 C ATOM 522 OD1 ASP A 38 2.297 10.426 -1.695 1.00 0.00 O ATOM 523 OD2 ASP A 38 2.582 10.878 0.434 1.00 0.00 O ATOM 0 H ASP A 38 4.783 6.737 -0.675 1.00 0.00 H new ATOM 0 HA ASP A 38 3.764 8.594 -2.519 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.875 8.045 -0.214 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.200 8.967 0.467 1.00 0.00 H new ATOM 528 N SER A 39 6.606 9.395 -1.078 1.00 0.00 N ATOM 529 CA SER A 39 7.744 10.309 -1.123 1.00 0.00 C ATOM 530 C SER A 39 8.691 9.950 -2.270 1.00 0.00 C ATOM 531 O SER A 39 9.732 10.583 -2.451 1.00 0.00 O ATOM 532 CB SER A 39 8.496 10.285 0.210 1.00 0.00 C ATOM 533 OG SER A 39 9.045 9.002 0.474 1.00 0.00 O ATOM 0 H SER A 39 6.738 8.591 -0.464 1.00 0.00 H new ATOM 0 HA SER A 39 7.364 11.316 -1.298 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.294 11.027 0.192 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.818 10.565 1.017 1.00 0.00 H new ATOM 0 HG SER A 39 8.601 8.334 -0.089 1.00 0.00 H new ATOM 539 N CYS A 40 8.322 8.925 -3.035 1.00 0.00 N ATOM 540 CA CYS A 40 9.132 8.461 -4.156 1.00 0.00 C ATOM 541 C CYS A 40 9.191 9.497 -5.274 1.00 0.00 C ATOM 542 O CYS A 40 8.206 10.172 -5.572 1.00 0.00 O ATOM 543 CB CYS A 40 8.592 7.144 -4.704 1.00 0.00 C ATOM 544 SG CYS A 40 9.641 6.397 -5.961 1.00 0.00 S ATOM 0 H CYS A 40 7.460 8.397 -2.896 1.00 0.00 H new ATOM 0 HA CYS A 40 10.143 8.306 -3.780 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.471 6.441 -3.880 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.601 7.315 -5.125 1.00 0.00 H new ATOM 0 HG CYS A 40 10.890 6.577 -5.647 1.00 0.00 H new ATOM 550 N ASP A 41 10.355 9.602 -5.899 1.00 0.00 N ATOM 551 CA ASP A 41 10.565 10.557 -6.979 1.00 0.00 C ATOM 552 C ASP A 41 11.221 9.874 -8.175 1.00 0.00 C ATOM 553 O ASP A 41 12.227 10.347 -8.704 1.00 0.00 O ATOM 554 CB ASP A 41 11.433 11.723 -6.498 1.00 0.00 C ATOM 555 CG ASP A 41 11.270 12.958 -7.359 1.00 0.00 C ATOM 556 OD1 ASP A 41 10.252 13.053 -8.077 1.00 0.00 O ATOM 557 OD2 ASP A 41 12.159 13.835 -7.314 1.00 0.00 O ATOM 0 H ASP A 41 11.173 9.035 -5.676 1.00 0.00 H new ATOM 0 HA ASP A 41 9.595 10.946 -7.288 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.173 11.965 -5.468 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.479 11.418 -6.499 1.00 0.00 H new ATOM 562 N GLY A 42 10.647 8.748 -8.585 1.00 0.00 N ATOM 563 CA GLY A 42 11.170 8.010 -9.724 1.00 0.00 C ATOM 564 C GLY A 42 12.146 6.908 -9.341 1.00 0.00 C ATOM 565 O GLY A 42 12.481 6.069 -10.173 1.00 0.00 O ATOM 0 H GLY A 42 9.825 8.330 -8.148 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.338 7.571 -10.275 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.668 8.706 -10.399 1.00 0.00 H new ATOM 569 N ALA A 43 12.607 6.911 -8.088 1.00 0.00 N ATOM 570 CA ALA A 43 13.542 5.886 -7.615 1.00 0.00 C ATOM 571 C ALA A 43 12.902 4.500 -7.650 1.00 0.00 C ATOM 572 O ALA A 43 13.528 3.520 -8.050 1.00 0.00 O ATOM 573 CB ALA A 43 14.016 6.213 -6.207 1.00 0.00 C ATOM 0 H ALA A 43 12.351 7.606 -7.387 1.00 0.00 H new ATOM 0 HA ALA A 43 14.402 5.878 -8.284 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.710 5.443 -5.869 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.519 7.180 -6.208 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.159 6.250 -5.534 1.00 0.00 H new ATOM 579 N LEU A 44 11.646 4.437 -7.221 1.00 0.00 N ATOM 580 CA LEU A 44 10.885 3.191 -7.217 1.00 0.00 C ATOM 581 C LEU A 44 9.702 3.315 -8.166 1.00 0.00 C ATOM 582 O LEU A 44 9.243 2.333 -8.748 1.00 0.00 O ATOM 583 CB LEU A 44 10.393 2.860 -5.798 1.00 0.00 C ATOM 584 CG LEU A 44 11.508 2.706 -4.752 1.00 0.00 C ATOM 585 CD1 LEU A 44 10.925 2.496 -3.363 1.00 0.00 C ATOM 586 CD2 LEU A 44 12.424 1.549 -5.120 1.00 0.00 C ATOM 0 H LEU A 44 11.129 5.242 -6.868 1.00 0.00 H new ATOM 0 HA LEU A 44 11.534 2.381 -7.551 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.713 3.647 -5.471 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.817 1.935 -5.834 1.00 0.00 H new ATOM 0 HG LEU A 44 12.092 3.626 -4.741 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.735 2.390 -2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.309 3.354 -3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.313 1.594 -3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.208 1.453 -4.369 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.846 0.626 -5.161 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.875 1.738 -6.094 1.00 0.00 H new ATOM 598 N GLY A 45 9.219 4.547 -8.311 1.00 0.00 N ATOM 599 CA GLY A 45 8.098 4.820 -9.181 1.00 0.00 C ATOM 600 C GLY A 45 6.770 4.563 -8.502 1.00 0.00 C ATOM 601 O GLY A 45 6.413 3.410 -8.266 1.00 0.00 O ATOM 0 H GLY A 45 9.593 5.367 -7.833 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.141 5.858 -9.510 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.174 4.199 -10.074 1.00 0.00 H new ATOM 605 N TRP A 46 6.041 5.633 -8.171 1.00 0.00 N ATOM 606 CA TRP A 46 4.726 5.485 -7.540 1.00 0.00 C ATOM 607 C TRP A 46 3.824 4.571 -8.377 1.00 0.00 C ATOM 608 O TRP A 46 3.143 3.696 -7.843 1.00 0.00 O ATOM 609 CB TRP A 46 4.064 6.860 -7.325 1.00 0.00 C ATOM 610 CG TRP A 46 4.063 7.748 -8.534 1.00 0.00 C ATOM 611 CD1 TRP A 46 3.110 7.799 -9.508 1.00 0.00 C ATOM 612 CD2 TRP A 46 5.050 8.724 -8.889 1.00 0.00 C ATOM 613 NE1 TRP A 46 3.454 8.728 -10.458 1.00 0.00 N ATOM 614 CE2 TRP A 46 4.639 9.314 -10.098 1.00 0.00 C ATOM 615 CE3 TRP A 46 6.246 9.152 -8.303 1.00 0.00 C ATOM 616 CZ2 TRP A 46 5.380 10.308 -10.732 1.00 0.00 C ATOM 617 CZ3 TRP A 46 6.978 10.141 -8.931 1.00 0.00 C ATOM 618 CH2 TRP A 46 6.543 10.708 -10.136 1.00 0.00 C ATOM 0 H TRP A 46 6.333 6.598 -8.326 1.00 0.00 H new ATOM 0 HA TRP A 46 4.867 5.022 -6.563 1.00 0.00 H new ATOM 0 HB2 TRP A 46 3.034 6.706 -7.002 1.00 0.00 H new ATOM 0 HB3 TRP A 46 4.579 7.374 -6.513 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.214 7.196 -9.529 1.00 0.00 H new ATOM 0 HE1 TRP A 46 2.915 8.947 -11.296 1.00 0.00 H new ATOM 0 HE3 TRP A 46 6.591 8.717 -7.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 5.048 10.747 -11.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 7.901 10.483 -8.486 1.00 0.00 H new ATOM 0 HH2 TRP A 46 7.139 11.477 -10.604 1.00 0.00 H new ATOM 629 N ARG A 47 3.816 4.789 -9.691 1.00 0.00 N ATOM 630 CA ARG A 47 3.029 3.966 -10.608 1.00 0.00 C ATOM 631 C ARG A 47 3.775 2.704 -11.031 1.00 0.00 C ATOM 632 O ARG A 47 3.245 1.923 -11.802 1.00 0.00 O ATOM 633 CB ARG A 47 2.621 4.740 -11.871 1.00 0.00 C ATOM 634 CG ARG A 47 3.571 5.862 -12.274 1.00 0.00 C ATOM 635 CD ARG A 47 4.947 5.342 -12.669 1.00 0.00 C ATOM 636 NE ARG A 47 6.020 6.239 -12.238 1.00 0.00 N ATOM 637 CZ ARG A 47 6.462 7.272 -12.954 1.00 0.00 C ATOM 638 NH1 ARG A 47 7.450 8.027 -12.489 1.00 0.00 N ATOM 639 NH2 ARG A 47 5.916 7.552 -14.130 1.00 0.00 N ATOM 0 H ARG A 47 4.348 5.531 -10.146 1.00 0.00 H new ATOM 0 HA ARG A 47 2.134 3.684 -10.053 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.541 4.037 -12.700 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.629 5.163 -11.715 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.141 6.416 -13.108 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.674 6.563 -11.445 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.101 4.356 -12.230 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.991 5.219 -13.751 1.00 0.00 H new ATOM 0 HE ARG A 47 6.457 6.062 -11.333 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.870 7.816 -11.584 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.789 8.818 -13.037 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.155 6.976 -14.489 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.257 8.344 -14.675 1.00 0.00 H new ATOM 653 N GLY A 48 4.999 2.510 -10.551 1.00 0.00 N ATOM 654 CA GLY A 48 5.773 1.346 -10.963 1.00 0.00 C ATOM 655 C GLY A 48 5.090 0.035 -10.640 1.00 0.00 C ATOM 656 O GLY A 48 5.000 -0.850 -11.489 1.00 0.00 O ATOM 0 H GLY A 48 5.468 3.129 -9.890 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.955 1.399 -12.036 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.746 1.372 -10.473 1.00 0.00 H new ATOM 660 N LEU A 49 4.599 -0.089 -9.415 1.00 0.00 N ATOM 661 CA LEU A 49 3.906 -1.298 -8.998 1.00 0.00 C ATOM 662 C LEU A 49 2.527 -1.387 -9.650 1.00 0.00 C ATOM 663 O LEU A 49 2.120 -2.456 -10.105 1.00 0.00 O ATOM 664 CB LEU A 49 3.788 -1.328 -7.474 1.00 0.00 C ATOM 665 CG LEU A 49 5.124 -1.317 -6.720 1.00 0.00 C ATOM 666 CD1 LEU A 49 4.886 -1.329 -5.226 1.00 0.00 C ATOM 667 CD2 LEU A 49 5.986 -2.502 -7.127 1.00 0.00 C ATOM 0 H LEU A 49 4.668 0.630 -8.695 1.00 0.00 H new ATOM 0 HA LEU A 49 4.484 -2.163 -9.323 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.200 -0.468 -7.153 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.232 -2.220 -7.185 1.00 0.00 H new ATOM 0 HG LEU A 49 5.655 -0.402 -6.983 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.843 -1.321 -4.705 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.311 -0.448 -4.942 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.332 -2.227 -4.953 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.928 -2.472 -6.579 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.462 -3.429 -6.897 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.187 -2.455 -8.197 1.00 0.00 H new ATOM 679 N ALA A 50 1.815 -0.258 -9.702 1.00 0.00 N ATOM 680 CA ALA A 50 0.482 -0.217 -10.309 1.00 0.00 C ATOM 681 C ALA A 50 0.514 -0.545 -11.800 1.00 0.00 C ATOM 682 O ALA A 50 -0.341 -1.277 -12.302 1.00 0.00 O ATOM 683 CB ALA A 50 -0.145 1.152 -10.111 1.00 0.00 C ATOM 0 H ALA A 50 2.138 0.636 -9.333 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.117 -0.979 -9.810 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.135 1.168 -10.567 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.233 1.361 -9.045 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.482 1.911 -10.579 1.00 0.00 H new ATOM 689 N GLU A 51 1.501 0.009 -12.497 1.00 0.00 N ATOM 690 CA GLU A 51 1.651 -0.198 -13.930 1.00 0.00 C ATOM 691 C GLU A 51 1.913 -1.671 -14.249 1.00 0.00 C ATOM 692 O GLU A 51 1.361 -2.215 -15.207 1.00 0.00 O ATOM 693 CB GLU A 51 2.787 0.682 -14.476 1.00 0.00 C ATOM 694 CG GLU A 51 2.979 0.582 -15.982 1.00 0.00 C ATOM 695 CD GLU A 51 4.087 1.482 -16.488 1.00 0.00 C ATOM 696 OE1 GLU A 51 5.252 1.272 -16.091 1.00 0.00 O ATOM 697 OE2 GLU A 51 3.787 2.403 -17.279 1.00 0.00 O ATOM 0 H GLU A 51 2.215 0.610 -12.086 1.00 0.00 H new ATOM 0 HA GLU A 51 0.718 0.089 -14.416 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.586 1.721 -14.214 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.718 0.403 -13.982 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.204 -0.451 -16.248 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.046 0.844 -16.482 1.00 0.00 H new ATOM 704 N ARG A 52 2.764 -2.308 -13.441 1.00 0.00 N ATOM 705 CA ARG A 52 3.093 -3.721 -13.630 1.00 0.00 C ATOM 706 C ARG A 52 1.893 -4.609 -13.311 1.00 0.00 C ATOM 707 O ARG A 52 1.627 -5.584 -14.018 1.00 0.00 O ATOM 708 CB ARG A 52 4.287 -4.113 -12.752 1.00 0.00 C ATOM 709 CG ARG A 52 5.527 -4.510 -13.540 1.00 0.00 C ATOM 710 CD ARG A 52 6.739 -3.684 -13.139 1.00 0.00 C ATOM 711 NE ARG A 52 6.768 -2.393 -13.825 1.00 0.00 N ATOM 712 CZ ARG A 52 7.339 -2.198 -15.011 1.00 0.00 C ATOM 713 NH1 ARG A 52 7.310 -0.995 -15.572 1.00 0.00 N ATOM 714 NH2 ARG A 52 7.937 -3.206 -15.639 1.00 0.00 N ATOM 0 H ARG A 52 3.236 -1.868 -12.651 1.00 0.00 H new ATOM 0 HA ARG A 52 3.360 -3.868 -14.677 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.536 -3.276 -12.099 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.996 -4.943 -12.109 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.738 -5.567 -13.378 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.337 -4.383 -14.606 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.728 -3.523 -12.061 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.649 -4.238 -13.369 1.00 0.00 H new ATOM 0 HE ARG A 52 6.325 -1.596 -13.368 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.850 -0.220 -15.094 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.748 -0.846 -16.481 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.959 -4.132 -15.212 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.374 -3.053 -16.548 1.00 0.00 H new ATOM 851 N ASP A 61 -5.182 8.172 -14.715 1.00 0.00 N ATOM 852 CA ASP A 61 -6.027 9.348 -14.520 1.00 0.00 C ATOM 853 C ASP A 61 -6.119 9.677 -13.032 1.00 0.00 C ATOM 854 O ASP A 61 -5.995 10.831 -12.627 1.00 0.00 O ATOM 855 CB ASP A 61 -7.422 9.100 -15.107 1.00 0.00 C ATOM 856 CG ASP A 61 -8.325 10.314 -15.020 1.00 0.00 C ATOM 857 OD1 ASP A 61 -8.300 11.138 -15.957 1.00 0.00 O ATOM 858 OD2 ASP A 61 -9.061 10.439 -14.018 1.00 0.00 O ATOM 0 HA ASP A 61 -5.584 10.198 -15.039 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.323 8.801 -16.151 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.889 8.268 -14.580 1.00 0.00 H new ATOM 863 N HIS A 62 -6.322 8.639 -12.226 1.00 0.00 N ATOM 864 CA HIS A 62 -6.418 8.778 -10.780 1.00 0.00 C ATOM 865 C HIS A 62 -5.048 8.887 -10.117 1.00 0.00 C ATOM 866 O HIS A 62 -4.940 9.461 -9.034 1.00 0.00 O ATOM 867 CB HIS A 62 -7.174 7.599 -10.175 1.00 0.00 C ATOM 868 CG HIS A 62 -8.616 7.881 -9.902 1.00 0.00 C ATOM 869 ND1 HIS A 62 -9.574 8.030 -10.880 1.00 0.00 N ATOM 870 CD2 HIS A 62 -9.255 8.042 -8.718 1.00 0.00 C ATOM 871 CE1 HIS A 62 -10.743 8.274 -10.271 1.00 0.00 C ATOM 872 NE2 HIS A 62 -10.603 8.292 -8.957 1.00 0.00 N ATOM 0 H HIS A 62 -6.424 7.680 -12.558 1.00 0.00 H new ATOM 0 HA HIS A 62 -6.962 9.704 -10.592 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -7.102 6.748 -10.852 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -6.688 7.308 -9.244 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -8.792 7.985 -7.744 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -11.678 8.435 -10.787 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -11.332 8.455 -8.262 1.00 0.00 H new ATOM 879 N ILE A 63 -4.002 8.372 -10.777 1.00 0.00 N ATOM 880 CA ILE A 63 -2.646 8.398 -10.213 1.00 0.00 C ATOM 881 C ILE A 63 -2.206 9.830 -9.909 1.00 0.00 C ATOM 882 O ILE A 63 -1.642 10.102 -8.845 1.00 0.00 O ATOM 883 CB ILE A 63 -1.620 7.701 -11.143 1.00 0.00 C ATOM 884 CG1 ILE A 63 -1.863 6.186 -11.157 1.00 0.00 C ATOM 885 CG2 ILE A 63 -0.190 8.001 -10.708 1.00 0.00 C ATOM 886 CD1 ILE A 63 -1.059 5.447 -12.206 1.00 0.00 C ATOM 0 H ILE A 63 -4.068 7.935 -11.696 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.678 7.839 -9.278 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.756 8.093 -12.151 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.621 5.780 -10.175 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.923 5.999 -11.327 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.507 7.499 -11.379 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.017 9.077 -10.744 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.036 7.642 -9.690 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.285 4.382 -12.154 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.317 5.825 -13.195 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.005 5.602 -12.025 1.00 0.00 H new ATOM 898 N GLU A 64 -2.457 10.740 -10.835 1.00 0.00 N ATOM 899 CA GLU A 64 -2.116 12.142 -10.630 1.00 0.00 C ATOM 900 C GLU A 64 -2.981 12.758 -9.521 1.00 0.00 C ATOM 901 O GLU A 64 -2.520 13.592 -8.745 1.00 0.00 O ATOM 902 CB GLU A 64 -2.302 12.928 -11.932 1.00 0.00 C ATOM 903 CG GLU A 64 -1.282 12.583 -13.008 1.00 0.00 C ATOM 904 CD GLU A 64 -1.579 13.252 -14.337 1.00 0.00 C ATOM 905 OE1 GLU A 64 -2.676 13.829 -14.483 1.00 0.00 O ATOM 906 OE2 GLU A 64 -0.711 13.196 -15.232 1.00 0.00 O ATOM 0 H GLU A 64 -2.894 10.537 -11.734 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.071 12.196 -10.325 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.303 12.740 -12.320 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.240 13.994 -11.714 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.290 12.881 -12.670 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.260 11.502 -13.148 1.00 0.00 H new ATOM 913 N LYS A 65 -4.245 12.346 -9.482 1.00 0.00 N ATOM 914 CA LYS A 65 -5.221 12.863 -8.515 1.00 0.00 C ATOM 915 C LYS A 65 -4.919 12.548 -7.037 1.00 0.00 C ATOM 916 O LYS A 65 -4.935 13.453 -6.204 1.00 0.00 O ATOM 917 CB LYS A 65 -6.601 12.309 -8.873 1.00 0.00 C ATOM 918 CG LYS A 65 -7.176 12.890 -10.155 1.00 0.00 C ATOM 919 CD LYS A 65 -8.504 12.246 -10.515 1.00 0.00 C ATOM 920 CE LYS A 65 -9.093 12.861 -11.773 1.00 0.00 C ATOM 921 NZ LYS A 65 -10.383 12.223 -12.152 1.00 0.00 N ATOM 0 H LYS A 65 -4.626 11.645 -10.117 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.172 13.949 -8.593 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.534 11.226 -8.973 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.289 12.511 -8.052 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.312 13.965 -10.039 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.468 12.745 -10.971 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.363 11.175 -10.663 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.204 12.364 -9.688 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.248 13.928 -11.617 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.383 12.759 -12.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.023 12.942 -12.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.210 11.486 -12.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.819 11.795 -11.310 1.00 0.00 H new ATOM 935 N GLU A 66 -4.643 11.283 -6.694 1.00 0.00 N ATOM 936 CA GLU A 66 -4.406 10.935 -5.280 1.00 0.00 C ATOM 937 C GLU A 66 -2.940 11.052 -4.867 1.00 0.00 C ATOM 938 O GLU A 66 -2.624 10.864 -3.694 1.00 0.00 O ATOM 939 CB GLU A 66 -4.927 9.532 -4.928 1.00 0.00 C ATOM 940 CG GLU A 66 -6.352 9.263 -5.396 1.00 0.00 C ATOM 941 CD GLU A 66 -7.367 10.219 -4.797 1.00 0.00 C ATOM 942 OE1 GLU A 66 -7.209 10.593 -3.617 1.00 0.00 O ATOM 943 OE2 GLU A 66 -8.316 10.597 -5.514 1.00 0.00 O ATOM 0 H GLU A 66 -4.579 10.504 -7.349 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.973 11.674 -4.714 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.264 8.788 -5.370 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.880 9.399 -3.847 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.391 9.336 -6.483 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.627 8.241 -5.135 1.00 0.00 H new ATOM 950 N VAL A 67 -2.039 11.335 -5.809 1.00 0.00 N ATOM 951 CA VAL A 67 -0.617 11.453 -5.470 1.00 0.00 C ATOM 952 C VAL A 67 -0.392 12.533 -4.400 1.00 0.00 C ATOM 953 O VAL A 67 0.493 12.408 -3.556 1.00 0.00 O ATOM 954 CB VAL A 67 0.258 11.731 -6.723 1.00 0.00 C ATOM 955 CG1 VAL A 67 0.092 13.158 -7.223 1.00 0.00 C ATOM 956 CG2 VAL A 67 1.723 11.429 -6.431 1.00 0.00 C ATOM 0 H VAL A 67 -2.260 11.484 -6.794 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.305 10.492 -5.060 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.084 11.066 -7.516 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.721 13.312 -8.100 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.951 13.331 -7.489 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.387 13.855 -6.439 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.320 11.630 -7.320 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.068 12.060 -5.612 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.830 10.381 -6.151 1.00 0.00 H new ATOM 966 N ASP A 68 -1.216 13.579 -4.429 1.00 0.00 N ATOM 967 CA ASP A 68 -1.124 14.658 -3.448 1.00 0.00 C ATOM 968 C ASP A 68 -1.981 14.343 -2.224 1.00 0.00 C ATOM 969 O ASP A 68 -1.969 15.080 -1.238 1.00 0.00 O ATOM 970 CB ASP A 68 -1.567 15.993 -4.059 1.00 0.00 C ATOM 971 CG ASP A 68 -0.575 16.538 -5.066 1.00 0.00 C ATOM 972 OD1 ASP A 68 0.573 16.049 -5.099 1.00 0.00 O ATOM 973 OD2 ASP A 68 -0.947 17.459 -5.822 1.00 0.00 O ATOM 0 H ASP A 68 -1.955 13.702 -5.121 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.081 14.743 -3.142 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.534 15.862 -4.544 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.706 16.723 -3.262 1.00 0.00 H new ATOM 978 N GLN A 69 -2.719 13.239 -2.296 1.00 0.00 N ATOM 979 CA GLN A 69 -3.608 12.822 -1.215 1.00 0.00 C ATOM 980 C GLN A 69 -3.028 11.648 -0.424 1.00 0.00 C ATOM 981 O GLN A 69 -3.763 10.926 0.250 1.00 0.00 O ATOM 982 CB GLN A 69 -4.983 12.441 -1.773 1.00 0.00 C ATOM 983 CG GLN A 69 -5.685 13.570 -2.515 1.00 0.00 C ATOM 984 CD GLN A 69 -5.922 14.790 -1.648 1.00 0.00 C ATOM 985 OE1 GLN A 69 -5.420 15.876 -1.934 1.00 0.00 O ATOM 986 NE2 GLN A 69 -6.690 14.620 -0.579 1.00 0.00 N ATOM 0 H GLN A 69 -2.718 12.611 -3.100 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.713 13.668 -0.535 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -4.867 11.593 -2.448 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -5.618 12.110 -0.951 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -5.087 13.856 -3.380 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -6.641 13.209 -2.894 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -7.087 13.703 -0.377 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -6.883 15.407 0.041 1.00 0.00 H new ATOM 995 N GLY A 70 -1.714 11.463 -0.495 1.00 0.00 N ATOM 996 CA GLY A 70 -1.085 10.378 0.239 1.00 0.00 C ATOM 997 C GLY A 70 -0.684 9.177 -0.607 1.00 0.00 C ATOM 998 O GLY A 70 -0.380 8.134 -0.034 1.00 0.00 O ATOM 0 H GLY A 70 -1.076 12.040 -1.043 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.197 10.764 0.739 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.769 10.042 1.019 1.00 0.00 H new ATOM 1002 N LYS A 71 -0.734 9.334 -1.951 1.00 0.00 N ATOM 1003 CA LYS A 71 -0.330 8.304 -2.948 1.00 0.00 C ATOM 1004 C LYS A 71 -1.527 7.780 -3.730 1.00 0.00 C ATOM 1005 O LYS A 71 -2.620 7.611 -3.198 1.00 0.00 O ATOM 1006 CB LYS A 71 0.443 7.117 -2.335 1.00 0.00 C ATOM 1007 CG LYS A 71 0.621 5.908 -3.259 1.00 0.00 C ATOM 1008 CD LYS A 71 1.474 6.222 -4.489 1.00 0.00 C ATOM 1009 CE LYS A 71 2.836 6.745 -4.109 1.00 0.00 C ATOM 1010 NZ LYS A 71 3.032 8.164 -4.527 1.00 0.00 N ATOM 0 H LYS A 71 -1.062 10.196 -2.385 1.00 0.00 H new ATOM 0 HA LYS A 71 0.351 8.820 -3.625 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.428 7.466 -2.026 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.077 6.792 -1.434 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.083 5.094 -2.700 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.359 5.556 -3.582 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.586 5.321 -5.093 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.962 6.959 -5.108 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.966 6.665 -3.030 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.604 6.123 -4.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.045 8.398 -4.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.675 8.293 -5.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.513 8.791 -3.880 1.00 0.00 H new ATOM 1024 N SER A 72 -1.298 7.547 -5.014 1.00 0.00 N ATOM 1025 CA SER A 72 -2.313 7.016 -5.902 1.00 0.00 C ATOM 1026 C SER A 72 -1.790 5.809 -6.657 1.00 0.00 C ATOM 1027 O SER A 72 -2.533 4.874 -6.919 1.00 0.00 O ATOM 1028 CB SER A 72 -2.738 8.072 -6.890 1.00 0.00 C ATOM 1029 OG SER A 72 -3.982 7.730 -7.463 1.00 0.00 O ATOM 0 H SER A 72 -0.401 7.722 -5.467 1.00 0.00 H new ATOM 0 HA SER A 72 -3.167 6.712 -5.297 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.812 9.038 -6.391 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.985 8.174 -7.671 1.00 0.00 H new ATOM 0 HG SER A 72 -4.456 8.546 -7.726 1.00 0.00 H new ATOM 1035 N GLY A 73 -0.509 5.836 -7.011 1.00 0.00 N ATOM 1036 CA GLY A 73 0.073 4.719 -7.732 1.00 0.00 C ATOM 1037 C GLY A 73 -0.241 3.396 -7.069 1.00 0.00 C ATOM 1038 O GLY A 73 -0.910 2.545 -7.646 1.00 0.00 O ATOM 0 H GLY A 73 0.132 6.605 -6.814 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.304 4.711 -8.755 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.154 4.848 -7.791 1.00 0.00 H new ATOM 1042 N THR A 74 0.220 3.228 -5.845 1.00 0.00 N ATOM 1043 CA THR A 74 -0.039 2.010 -5.111 1.00 0.00 C ATOM 1044 C THR A 74 -1.335 2.079 -4.297 1.00 0.00 C ATOM 1045 O THR A 74 -2.117 1.129 -4.282 1.00 0.00 O ATOM 1046 CB THR A 74 1.136 1.678 -4.178 1.00 0.00 C ATOM 1047 OG1 THR A 74 1.891 2.868 -3.905 1.00 0.00 O ATOM 1048 CG2 THR A 74 2.033 0.628 -4.806 1.00 0.00 C ATOM 0 H THR A 74 0.775 3.920 -5.341 1.00 0.00 H new ATOM 0 HA THR A 74 -0.154 1.220 -5.853 1.00 0.00 H new ATOM 0 HB THR A 74 0.739 1.281 -3.243 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.231 2.836 -2.986 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.860 0.405 -4.131 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.458 -0.280 -4.988 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.427 1.003 -5.751 1.00 0.00 H new ATOM 1056 N ARG A 75 -1.555 3.217 -3.633 1.00 0.00 N ATOM 1057 CA ARG A 75 -2.724 3.399 -2.764 1.00 0.00 C ATOM 1058 C ARG A 75 -4.052 3.293 -3.512 1.00 0.00 C ATOM 1059 O ARG A 75 -4.960 2.586 -3.069 1.00 0.00 O ATOM 1060 CB ARG A 75 -2.656 4.757 -2.061 1.00 0.00 C ATOM 1061 CG ARG A 75 -3.702 4.918 -0.971 1.00 0.00 C ATOM 1062 CD ARG A 75 -3.527 6.212 -0.200 1.00 0.00 C ATOM 1063 NE ARG A 75 -4.530 6.355 0.855 1.00 0.00 N ATOM 1064 CZ ARG A 75 -4.542 7.352 1.733 1.00 0.00 C ATOM 1065 NH1 ARG A 75 -5.495 7.412 2.654 1.00 0.00 N ATOM 1066 NH2 ARG A 75 -3.603 8.285 1.689 1.00 0.00 N ATOM 0 H ARG A 75 -0.939 4.028 -3.680 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.691 2.588 -2.037 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.665 4.885 -1.626 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.785 5.548 -2.799 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.696 4.894 -1.417 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.641 4.075 -0.283 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.530 6.241 0.240 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.598 7.056 -0.886 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.263 5.648 0.920 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.218 6.693 2.688 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.505 8.177 3.328 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.870 8.238 0.981 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.613 9.050 2.363 1.00 0.00 H new ATOM 1080 N GLU A 76 -4.166 3.981 -4.646 1.00 0.00 N ATOM 1081 CA GLU A 76 -5.403 3.965 -5.422 1.00 0.00 C ATOM 1082 C GLU A 76 -5.734 2.557 -5.909 1.00 0.00 C ATOM 1083 O GLU A 76 -6.883 2.126 -5.830 1.00 0.00 O ATOM 1084 CB GLU A 76 -5.314 4.934 -6.614 1.00 0.00 C ATOM 1085 CG GLU A 76 -6.543 4.930 -7.502 1.00 0.00 C ATOM 1086 CD GLU A 76 -7.798 5.400 -6.787 1.00 0.00 C ATOM 1087 OE1 GLU A 76 -7.673 6.107 -5.764 1.00 0.00 O ATOM 1088 OE2 GLU A 76 -8.905 5.057 -7.250 1.00 0.00 O ATOM 0 H GLU A 76 -3.422 4.553 -5.046 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.207 4.295 -4.764 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.153 5.944 -6.237 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.442 4.676 -7.215 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.362 5.571 -8.365 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.705 3.922 -7.883 1.00 0.00 H new ATOM 1095 N LEU A 77 -4.725 1.845 -6.402 1.00 0.00 N ATOM 1096 CA LEU A 77 -4.918 0.486 -6.906 1.00 0.00 C ATOM 1097 C LEU A 77 -5.365 -0.473 -5.797 1.00 0.00 C ATOM 1098 O LEU A 77 -6.273 -1.279 -5.998 1.00 0.00 O ATOM 1099 CB LEU A 77 -3.634 -0.022 -7.564 1.00 0.00 C ATOM 1100 CG LEU A 77 -3.714 -1.436 -8.147 1.00 0.00 C ATOM 1101 CD1 LEU A 77 -4.781 -1.513 -9.227 1.00 0.00 C ATOM 1102 CD2 LEU A 77 -2.367 -1.853 -8.708 1.00 0.00 C ATOM 0 H LEU A 77 -3.765 2.185 -6.464 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.712 0.519 -7.652 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.357 0.667 -8.362 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.832 0.005 -6.826 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.987 -2.122 -7.345 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.821 -2.526 -9.627 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.750 -1.253 -8.801 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.538 -0.815 -10.029 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.440 -2.860 -9.119 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.071 -1.160 -9.496 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.621 -1.838 -7.913 1.00 0.00 H new ATOM 1114 N LEU A 78 -4.725 -0.381 -4.631 1.00 0.00 N ATOM 1115 CA LEU A 78 -5.063 -1.250 -3.502 1.00 0.00 C ATOM 1116 C LEU A 78 -6.492 -0.982 -3.008 1.00 0.00 C ATOM 1117 O LEU A 78 -7.234 -1.908 -2.689 1.00 0.00 O ATOM 1118 CB LEU A 78 -4.054 -1.053 -2.357 1.00 0.00 C ATOM 1119 CG LEU A 78 -2.620 -1.495 -2.671 1.00 0.00 C ATOM 1120 CD1 LEU A 78 -1.686 -1.123 -1.527 1.00 0.00 C ATOM 1121 CD2 LEU A 78 -2.561 -2.992 -2.942 1.00 0.00 C ATOM 0 H LEU A 78 -3.973 0.283 -4.443 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.012 -2.284 -3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.041 0.002 -2.083 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.405 -1.605 -1.485 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.292 -0.974 -3.571 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.672 -1.444 -1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.700 -0.043 -1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.016 -1.616 -0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.534 -3.282 -3.162 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.911 -3.535 -2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.196 -3.233 -3.794 1.00 0.00 H new ATOM 1133 N TRP A 79 -6.876 0.292 -2.980 1.00 0.00 N ATOM 1134 CA TRP A 79 -8.209 0.700 -2.521 1.00 0.00 C ATOM 1135 C TRP A 79 -9.281 0.563 -3.607 1.00 0.00 C ATOM 1136 O TRP A 79 -10.461 0.775 -3.338 1.00 0.00 O ATOM 1137 CB TRP A 79 -8.184 2.138 -1.997 1.00 0.00 C ATOM 1138 CG TRP A 79 -7.590 2.263 -0.625 1.00 0.00 C ATOM 1139 CD1 TRP A 79 -6.319 2.643 -0.312 1.00 0.00 C ATOM 1140 CD2 TRP A 79 -8.254 2.015 0.619 1.00 0.00 C ATOM 1141 NE1 TRP A 79 -6.148 2.644 1.052 1.00 0.00 N ATOM 1142 CE2 TRP A 79 -7.322 2.261 1.646 1.00 0.00 C ATOM 1143 CE3 TRP A 79 -9.546 1.606 0.965 1.00 0.00 C ATOM 1144 CZ2 TRP A 79 -7.642 2.112 2.994 1.00 0.00 C ATOM 1145 CZ3 TRP A 79 -9.861 1.460 2.303 1.00 0.00 C ATOM 1146 CH2 TRP A 79 -8.913 1.712 3.303 1.00 0.00 C ATOM 0 H TRP A 79 -6.281 1.067 -3.271 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.477 0.019 -1.713 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -7.615 2.759 -2.689 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -9.201 2.529 -1.981 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -5.557 2.905 -1.031 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -5.288 2.890 1.542 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -10.284 1.408 0.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -6.913 2.305 3.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -10.856 1.146 2.582 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -9.191 1.588 4.339 1.00 0.00 H new ATOM 1157 N SER A 80 -8.870 0.231 -4.833 1.00 0.00 N ATOM 1158 CA SER A 80 -9.811 0.099 -5.951 1.00 0.00 C ATOM 1159 C SER A 80 -10.879 -0.966 -5.697 1.00 0.00 C ATOM 1160 O SER A 80 -12.039 -0.776 -6.061 1.00 0.00 O ATOM 1161 CB SER A 80 -9.065 -0.234 -7.248 1.00 0.00 C ATOM 1162 OG SER A 80 -8.264 0.855 -7.678 1.00 0.00 O ATOM 0 H SER A 80 -7.897 0.049 -5.078 1.00 0.00 H new ATOM 0 HA SER A 80 -10.313 1.062 -6.047 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.437 -1.111 -7.093 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.783 -0.490 -8.027 1.00 0.00 H new ATOM 0 HG SER A 80 -7.778 1.226 -6.912 1.00 0.00 H new ATOM 1168 N TRP A 81 -10.496 -2.088 -5.092 1.00 0.00 N ATOM 1169 CA TRP A 81 -11.459 -3.153 -4.820 1.00 0.00 C ATOM 1170 C TRP A 81 -12.189 -2.916 -3.495 1.00 0.00 C ATOM 1171 O TRP A 81 -13.238 -2.274 -3.462 1.00 0.00 O ATOM 1172 CB TRP A 81 -10.755 -4.514 -4.809 1.00 0.00 C ATOM 1173 CG TRP A 81 -10.453 -5.035 -6.181 1.00 0.00 C ATOM 1174 CD1 TRP A 81 -9.253 -4.991 -6.830 1.00 0.00 C ATOM 1175 CD2 TRP A 81 -11.368 -5.686 -7.072 1.00 0.00 C ATOM 1176 NE1 TRP A 81 -9.366 -5.570 -8.070 1.00 0.00 N ATOM 1177 CE2 TRP A 81 -10.655 -6.005 -8.242 1.00 0.00 C ATOM 1178 CE3 TRP A 81 -12.721 -6.028 -6.992 1.00 0.00 C ATOM 1179 CZ2 TRP A 81 -11.250 -6.650 -9.322 1.00 0.00 C ATOM 1180 CZ3 TRP A 81 -13.310 -6.669 -8.066 1.00 0.00 C ATOM 1181 CH2 TRP A 81 -12.575 -6.974 -9.216 1.00 0.00 C ATOM 0 H TRP A 81 -9.543 -2.282 -4.785 1.00 0.00 H new ATOM 0 HA TRP A 81 -12.203 -3.148 -5.616 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -9.825 -4.430 -4.247 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -11.381 -5.235 -4.283 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -8.347 -4.563 -6.427 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -8.613 -5.662 -8.752 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -13.296 -5.796 -6.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -10.686 -6.886 -10.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -14.355 -6.939 -8.016 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -13.064 -7.476 -10.038 1.00 0.00 H new ATOM 1192 N ALA A 82 -11.640 -3.449 -2.409 1.00 0.00 N ATOM 1193 CA ALA A 82 -12.234 -3.269 -1.087 1.00 0.00 C ATOM 1194 C ALA A 82 -11.375 -2.325 -0.253 1.00 0.00 C ATOM 1195 O ALA A 82 -11.612 -1.120 -0.204 1.00 0.00 O ATOM 1196 CB ALA A 82 -12.402 -4.612 -0.387 1.00 0.00 C ATOM 0 H ALA A 82 -10.787 -4.008 -2.416 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.223 -2.826 -1.203 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.846 -4.457 0.596 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.052 -5.253 -0.982 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.428 -5.088 -0.274 1.00 0.00 H new ATOM 1202 N GLN A 83 -10.377 -2.899 0.409 1.00 0.00 N ATOM 1203 CA GLN A 83 -9.440 -2.134 1.218 1.00 0.00 C ATOM 1204 C GLN A 83 -8.069 -2.214 0.559 1.00 0.00 C ATOM 1205 O GLN A 83 -7.453 -1.199 0.245 1.00 0.00 O ATOM 1206 CB GLN A 83 -9.404 -2.684 2.645 1.00 0.00 C ATOM 1207 CG GLN A 83 -10.694 -2.440 3.413 1.00 0.00 C ATOM 1208 CD GLN A 83 -10.731 -3.168 4.742 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -10.432 -4.358 4.814 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -11.099 -2.457 5.799 1.00 0.00 N ATOM 0 H GLN A 83 -10.196 -3.903 0.399 1.00 0.00 H new ATOM 0 HA GLN A 83 -9.751 -1.091 1.280 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -9.207 -3.755 2.610 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.575 -2.225 3.184 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -10.812 -1.370 3.586 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -11.540 -2.760 2.805 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -11.339 -1.471 5.692 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.142 -2.896 6.719 1.00 0.00 H new ATOM 1219 N LYS A 84 -7.594 -3.443 0.375 1.00 0.00 N ATOM 1220 CA LYS A 84 -6.337 -3.687 -0.319 1.00 0.00 C ATOM 1221 C LYS A 84 -6.560 -4.792 -1.357 1.00 0.00 C ATOM 1222 O LYS A 84 -6.098 -4.694 -2.494 1.00 0.00 O ATOM 1223 CB LYS A 84 -5.213 -4.069 0.665 1.00 0.00 C ATOM 1224 CG LYS A 84 -4.071 -4.851 0.024 1.00 0.00 C ATOM 1225 CD LYS A 84 -2.793 -4.814 0.849 1.00 0.00 C ATOM 1226 CE LYS A 84 -2.964 -5.509 2.186 1.00 0.00 C ATOM 1227 NZ LYS A 84 -3.567 -6.862 2.038 1.00 0.00 N ATOM 0 H LYS A 84 -8.065 -4.288 0.699 1.00 0.00 H new ATOM 0 HA LYS A 84 -6.018 -2.772 -0.818 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.811 -3.160 1.113 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.638 -4.663 1.474 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -4.379 -5.887 -0.113 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.870 -4.444 -0.967 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.987 -5.292 0.292 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.497 -3.778 1.013 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.994 -5.596 2.676 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.595 -4.900 2.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.089 -7.527 2.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.579 -6.819 2.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.455 -7.186 1.056 1.00 0.00 H new ATOM 1241 N ASN A 85 -7.302 -5.830 -0.936 1.00 0.00 N ATOM 1242 CA ASN A 85 -7.653 -6.985 -1.780 1.00 0.00 C ATOM 1243 C ASN A 85 -6.426 -7.558 -2.491 1.00 0.00 C ATOM 1244 O ASN A 85 -6.511 -8.050 -3.617 1.00 0.00 O ATOM 1245 CB ASN A 85 -8.726 -6.610 -2.805 1.00 0.00 C ATOM 1246 CG ASN A 85 -9.495 -7.822 -3.300 1.00 0.00 C ATOM 1247 OD1 ASN A 85 -9.833 -8.713 -2.523 1.00 0.00 O ATOM 1248 ND2 ASN A 85 -9.773 -7.866 -4.596 1.00 0.00 N ATOM 0 H ASN A 85 -7.679 -5.892 0.010 1.00 0.00 H new ATOM 0 HA ASN A 85 -8.052 -7.755 -1.120 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -9.421 -5.899 -2.358 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -8.258 -6.108 -3.652 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -10.285 -8.660 -4.981 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -9.475 -7.106 -5.208 1.00 0.00 H new ATOM 1255 N LYS A 86 -5.290 -7.488 -1.819 1.00 0.00 N ATOM 1256 CA LYS A 86 -4.038 -7.983 -2.360 1.00 0.00 C ATOM 1257 C LYS A 86 -3.263 -8.683 -1.255 1.00 0.00 C ATOM 1258 O LYS A 86 -3.612 -8.561 -0.082 1.00 0.00 O ATOM 1259 CB LYS A 86 -3.205 -6.826 -2.930 1.00 0.00 C ATOM 1260 CG LYS A 86 -3.176 -6.766 -4.454 1.00 0.00 C ATOM 1261 CD LYS A 86 -4.371 -6.005 -5.011 1.00 0.00 C ATOM 1262 CE LYS A 86 -4.902 -6.648 -6.284 1.00 0.00 C ATOM 1263 NZ LYS A 86 -3.840 -6.810 -7.316 1.00 0.00 N ATOM 0 H LYS A 86 -5.210 -7.087 -0.885 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.248 -8.685 -3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.602 -5.885 -2.548 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.183 -6.914 -2.562 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.254 -6.286 -4.782 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.169 -7.778 -4.858 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.163 -5.971 -4.262 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.083 -4.974 -5.217 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.328 -7.623 -6.047 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.709 -6.037 -6.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.275 -7.075 -8.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.325 -5.914 -7.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.178 -7.555 -7.019 1.00 0.00 H new ATOM 1277 N THR A 87 -2.217 -9.410 -1.610 1.00 0.00 N ATOM 1278 CA THR A 87 -1.419 -10.096 -0.605 1.00 0.00 C ATOM 1279 C THR A 87 0.055 -9.747 -0.759 1.00 0.00 C ATOM 1280 O THR A 87 0.492 -9.314 -1.831 1.00 0.00 O ATOM 1281 CB THR A 87 -1.584 -11.627 -0.674 1.00 0.00 C ATOM 1282 OG1 THR A 87 -1.104 -12.121 -1.933 1.00 0.00 O ATOM 1283 CG2 THR A 87 -3.040 -12.029 -0.491 1.00 0.00 C ATOM 0 H THR A 87 -1.903 -9.540 -2.572 1.00 0.00 H new ATOM 0 HA THR A 87 -1.782 -9.757 0.365 1.00 0.00 H new ATOM 0 HB THR A 87 -0.999 -12.064 0.135 1.00 0.00 H new ATOM 0 HG1 THR A 87 -1.212 -13.094 -1.965 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.127 -13.114 -0.544 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.393 -11.684 0.481 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.644 -11.577 -1.278 1.00 0.00 H new ATOM 1291 N ILE A 88 0.811 -9.939 0.317 1.00 0.00 N ATOM 1292 CA ILE A 88 2.240 -9.649 0.323 1.00 0.00 C ATOM 1293 C ILE A 88 2.982 -10.483 -0.721 1.00 0.00 C ATOM 1294 O ILE A 88 3.847 -9.967 -1.424 1.00 0.00 O ATOM 1295 CB ILE A 88 2.842 -9.854 1.742 1.00 0.00 C ATOM 1296 CG1 ILE A 88 2.600 -8.605 2.608 1.00 0.00 C ATOM 1297 CG2 ILE A 88 4.327 -10.188 1.683 1.00 0.00 C ATOM 1298 CD1 ILE A 88 1.161 -8.405 3.026 1.00 0.00 C ATOM 0 H ILE A 88 0.454 -10.297 1.203 1.00 0.00 H new ATOM 0 HA ILE A 88 2.368 -8.601 0.053 1.00 0.00 H new ATOM 0 HB ILE A 88 2.336 -10.705 2.199 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.220 -8.672 3.502 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.931 -7.725 2.056 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.710 -10.324 2.694 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.471 -11.107 1.114 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.864 -9.373 1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.080 -7.503 3.633 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.535 -8.303 2.139 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.828 -9.265 3.608 1.00 0.00 H new ATOM 1310 N GLY A 89 2.626 -11.762 -0.834 1.00 0.00 N ATOM 1311 CA GLY A 89 3.265 -12.630 -1.811 1.00 0.00 C ATOM 1312 C GLY A 89 3.043 -12.166 -3.244 1.00 0.00 C ATOM 1313 O GLY A 89 3.951 -12.230 -4.073 1.00 0.00 O ATOM 0 H GLY A 89 1.907 -12.212 -0.267 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.335 -12.672 -1.609 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.879 -13.643 -1.698 1.00 0.00 H new ATOM 1317 N ASP A 90 1.824 -11.707 -3.532 1.00 0.00 N ATOM 1318 CA ASP A 90 1.470 -11.224 -4.868 1.00 0.00 C ATOM 1319 C ASP A 90 2.272 -9.979 -5.252 1.00 0.00 C ATOM 1320 O ASP A 90 2.798 -9.886 -6.361 1.00 0.00 O ATOM 1321 CB ASP A 90 -0.029 -10.916 -4.938 1.00 0.00 C ATOM 1322 CG ASP A 90 -0.479 -10.500 -6.323 1.00 0.00 C ATOM 1323 OD1 ASP A 90 -0.835 -11.392 -7.121 1.00 0.00 O ATOM 1324 OD2 ASP A 90 -0.479 -9.285 -6.611 1.00 0.00 O ATOM 0 H ASP A 90 1.062 -11.660 -2.855 1.00 0.00 H new ATOM 0 HA ASP A 90 1.715 -12.014 -5.578 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -0.591 -11.797 -4.628 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.265 -10.121 -4.230 1.00 0.00 H new ATOM 1329 N LEU A 91 2.366 -9.030 -4.322 1.00 0.00 N ATOM 1330 CA LEU A 91 3.097 -7.787 -4.562 1.00 0.00 C ATOM 1331 C LEU A 91 4.606 -7.999 -4.489 1.00 0.00 C ATOM 1332 O LEU A 91 5.369 -7.250 -5.095 1.00 0.00 O ATOM 1333 CB LEU A 91 2.683 -6.708 -3.552 1.00 0.00 C ATOM 1334 CG LEU A 91 2.017 -5.452 -4.136 1.00 0.00 C ATOM 1335 CD1 LEU A 91 2.839 -4.889 -5.287 1.00 0.00 C ATOM 1336 CD2 LEU A 91 0.599 -5.761 -4.592 1.00 0.00 C ATOM 0 H LEU A 91 1.945 -9.098 -3.395 1.00 0.00 H new ATOM 0 HA LEU A 91 2.843 -7.456 -5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.997 -7.157 -2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.569 -6.400 -2.998 1.00 0.00 H new ATOM 0 HG LEU A 91 1.969 -4.697 -3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.348 -4.001 -5.684 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.834 -4.624 -4.928 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.925 -5.639 -6.074 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.144 -4.859 -5.002 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.624 -6.536 -5.358 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.011 -6.109 -3.743 1.00 0.00 H new ATOM 1348 N LEU A 92 5.028 -9.031 -3.762 1.00 0.00 N ATOM 1349 CA LEU A 92 6.449 -9.343 -3.595 1.00 0.00 C ATOM 1350 C LEU A 92 7.122 -9.604 -4.939 1.00 0.00 C ATOM 1351 O LEU A 92 8.245 -9.159 -5.175 1.00 0.00 O ATOM 1352 CB LEU A 92 6.612 -10.566 -2.683 1.00 0.00 C ATOM 1353 CG LEU A 92 8.054 -10.992 -2.401 1.00 0.00 C ATOM 1354 CD1 LEU A 92 8.810 -9.886 -1.678 1.00 0.00 C ATOM 1355 CD2 LEU A 92 8.079 -12.276 -1.584 1.00 0.00 C ATOM 0 H LEU A 92 4.401 -9.671 -3.275 1.00 0.00 H new ATOM 0 HA LEU A 92 6.932 -8.480 -3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.121 -10.356 -1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.085 -11.407 -3.135 1.00 0.00 H new ATOM 0 HG LEU A 92 8.549 -11.178 -3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.833 -10.209 -1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.823 -8.989 -2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.316 -9.667 -0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.112 -12.565 -1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.566 -12.114 -0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.577 -13.069 -2.138 1.00 0.00 H new ATOM 1367 N GLN A 93 6.428 -10.325 -5.813 1.00 0.00 N ATOM 1368 CA GLN A 93 6.953 -10.639 -7.139 1.00 0.00 C ATOM 1369 C GLN A 93 7.176 -9.357 -7.942 1.00 0.00 C ATOM 1370 O GLN A 93 8.183 -9.206 -8.633 1.00 0.00 O ATOM 1371 CB GLN A 93 5.967 -11.550 -7.871 1.00 0.00 C ATOM 1372 CG GLN A 93 5.868 -12.941 -7.266 1.00 0.00 C ATOM 1373 CD GLN A 93 4.732 -13.752 -7.854 1.00 0.00 C ATOM 1374 OE1 GLN A 93 4.860 -14.336 -8.929 1.00 0.00 O ATOM 1375 NE2 GLN A 93 3.604 -13.779 -7.155 1.00 0.00 N ATOM 0 H GLN A 93 5.499 -10.704 -5.628 1.00 0.00 H new ATOM 0 HA GLN A 93 7.910 -11.149 -7.032 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.980 -11.087 -7.862 1.00 0.00 H new ATOM 0 HB3 GLN A 93 6.269 -11.636 -8.915 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.808 -13.470 -7.425 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.729 -12.855 -6.188 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.542 -13.280 -6.268 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.799 -14.299 -7.505 1.00 0.00 H new ATOM 1384 N VAL A 94 6.221 -8.438 -7.832 1.00 0.00 N ATOM 1385 CA VAL A 94 6.291 -7.150 -8.518 1.00 0.00 C ATOM 1386 C VAL A 94 7.379 -6.268 -7.891 1.00 0.00 C ATOM 1387 O VAL A 94 8.117 -5.576 -8.595 1.00 0.00 O ATOM 1388 CB VAL A 94 4.927 -6.426 -8.476 1.00 0.00 C ATOM 1389 CG1 VAL A 94 5.008 -5.059 -9.137 1.00 0.00 C ATOM 1390 CG2 VAL A 94 3.856 -7.281 -9.137 1.00 0.00 C ATOM 0 H VAL A 94 5.380 -8.563 -7.268 1.00 0.00 H new ATOM 0 HA VAL A 94 6.547 -7.336 -9.561 1.00 0.00 H new ATOM 0 HB VAL A 94 4.656 -6.273 -7.431 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.033 -4.574 -9.092 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.743 -4.446 -8.615 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.307 -5.176 -10.179 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.900 -6.759 -9.100 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.129 -7.467 -10.176 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.771 -8.231 -8.609 1.00 0.00 H new ATOM 1400 N LEU A 95 7.468 -6.316 -6.559 1.00 0.00 N ATOM 1401 CA LEU A 95 8.458 -5.534 -5.811 1.00 0.00 C ATOM 1402 C LEU A 95 9.872 -5.931 -6.216 1.00 0.00 C ATOM 1403 O LEU A 95 10.756 -5.080 -6.341 1.00 0.00 O ATOM 1404 CB LEU A 95 8.289 -5.765 -4.303 1.00 0.00 C ATOM 1405 CG LEU A 95 7.010 -5.197 -3.681 1.00 0.00 C ATOM 1406 CD1 LEU A 95 6.850 -5.689 -2.250 1.00 0.00 C ATOM 1407 CD2 LEU A 95 7.019 -3.679 -3.718 1.00 0.00 C ATOM 0 H LEU A 95 6.863 -6.891 -5.973 1.00 0.00 H new ATOM 0 HA LEU A 95 8.298 -4.481 -6.041 1.00 0.00 H new ATOM 0 HB2 LEU A 95 8.317 -6.838 -4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 95 9.145 -5.328 -3.789 1.00 0.00 H new ATOM 0 HG LEU A 95 6.162 -5.549 -4.269 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.936 -5.276 -1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.794 -6.778 -2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.706 -5.367 -1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.101 -3.299 -3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.877 -3.306 -3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.086 -3.341 -4.752 1.00 0.00 H new ATOM 1419 N GLN A 96 10.077 -7.234 -6.405 1.00 0.00 N ATOM 1420 CA GLN A 96 11.375 -7.763 -6.804 1.00 0.00 C ATOM 1421 C GLN A 96 11.771 -7.252 -8.191 1.00 0.00 C ATOM 1422 O GLN A 96 12.935 -6.933 -8.431 1.00 0.00 O ATOM 1423 CB GLN A 96 11.344 -9.296 -6.796 1.00 0.00 C ATOM 1424 CG GLN A 96 12.705 -9.944 -7.021 1.00 0.00 C ATOM 1425 CD GLN A 96 13.703 -9.601 -5.932 1.00 0.00 C ATOM 1426 OE1 GLN A 96 13.457 -9.841 -4.750 1.00 0.00 O ATOM 1427 NE2 GLN A 96 14.834 -9.028 -6.322 1.00 0.00 N ATOM 0 H GLN A 96 9.354 -7.944 -6.287 1.00 0.00 H new ATOM 0 HA GLN A 96 12.120 -7.417 -6.087 1.00 0.00 H new ATOM 0 HB2 GLN A 96 10.944 -9.636 -5.841 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.657 -9.639 -7.569 1.00 0.00 H new ATOM 0 HG2 GLN A 96 12.584 -11.026 -7.070 1.00 0.00 H new ATOM 0 HG3 GLN A 96 13.101 -9.624 -7.985 1.00 0.00 H new ATOM 0 HE21 GLN A 96 14.999 -8.846 -7.312 1.00 0.00 H new ATOM 0 HE22 GLN A 96 15.539 -8.769 -5.632 1.00 0.00 H new ATOM 1436 N GLU A 97 10.796 -7.194 -9.101 1.00 0.00 N ATOM 1437 CA GLU A 97 11.041 -6.720 -10.463 1.00 0.00 C ATOM 1438 C GLU A 97 11.507 -5.265 -10.471 1.00 0.00 C ATOM 1439 O GLU A 97 12.484 -4.922 -11.139 1.00 0.00 O ATOM 1440 CB GLU A 97 9.767 -6.872 -11.309 1.00 0.00 C ATOM 1441 CG GLU A 97 9.923 -6.413 -12.752 1.00 0.00 C ATOM 1442 CD GLU A 97 8.681 -6.662 -13.587 1.00 0.00 C ATOM 1443 OE1 GLU A 97 7.714 -7.252 -13.056 1.00 0.00 O ATOM 1444 OE2 GLU A 97 8.672 -6.259 -14.770 1.00 0.00 O ATOM 0 H GLU A 97 9.831 -7.469 -8.919 1.00 0.00 H new ATOM 0 HA GLU A 97 11.836 -7.328 -10.894 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.462 -7.918 -11.302 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.963 -6.302 -10.842 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.157 -5.349 -12.766 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.769 -6.932 -13.204 1.00 0.00 H new ATOM 1451 N MET A 98 10.798 -4.411 -9.737 1.00 0.00 N ATOM 1452 CA MET A 98 11.146 -2.993 -9.656 1.00 0.00 C ATOM 1453 C MET A 98 12.425 -2.757 -8.851 1.00 0.00 C ATOM 1454 O MET A 98 13.227 -1.887 -9.192 1.00 0.00 O ATOM 1455 CB MET A 98 9.993 -2.185 -9.062 1.00 0.00 C ATOM 1456 CG MET A 98 8.777 -2.097 -9.973 1.00 0.00 C ATOM 1457 SD MET A 98 9.177 -1.417 -11.598 1.00 0.00 S ATOM 1458 CE MET A 98 9.729 0.229 -11.159 1.00 0.00 C ATOM 0 H MET A 98 9.979 -4.675 -9.189 1.00 0.00 H new ATOM 0 HA MET A 98 11.331 -2.653 -10.675 1.00 0.00 H new ATOM 0 HB2 MET A 98 9.695 -2.635 -8.115 1.00 0.00 H new ATOM 0 HB3 MET A 98 10.344 -1.177 -8.840 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.346 -3.091 -10.095 1.00 0.00 H new ATOM 0 HG3 MET A 98 8.017 -1.475 -9.500 1.00 0.00 H new ATOM 0 HE1 MET A 98 9.858 0.823 -12.064 1.00 0.00 H new ATOM 0 HE2 MET A 98 8.987 0.703 -10.517 1.00 0.00 H new ATOM 0 HE3 MET A 98 10.679 0.165 -10.629 1.00 0.00 H new ATOM 1468 N GLY A 99 12.611 -3.529 -7.784 1.00 0.00 N ATOM 1469 CA GLY A 99 13.791 -3.364 -6.950 1.00 0.00 C ATOM 1470 C GLY A 99 13.494 -2.579 -5.684 1.00 0.00 C ATOM 1471 O GLY A 99 14.292 -1.743 -5.256 1.00 0.00 O ATOM 0 H GLY A 99 11.970 -4.263 -7.482 1.00 0.00 H new ATOM 0 HA2 GLY A 99 14.185 -4.345 -6.683 1.00 0.00 H new ATOM 0 HA3 GLY A 99 14.567 -2.852 -7.519 1.00 0.00 H new ATOM 1475 N HIS A 100 12.339 -2.850 -5.085 1.00 0.00 N ATOM 1476 CA HIS A 100 11.912 -2.163 -3.867 1.00 0.00 C ATOM 1477 C HIS A 100 12.615 -2.714 -2.625 1.00 0.00 C ATOM 1478 O HIS A 100 12.068 -3.560 -1.915 1.00 0.00 O ATOM 1479 CB HIS A 100 10.399 -2.296 -3.698 1.00 0.00 C ATOM 1480 CG HIS A 100 9.609 -1.355 -4.553 1.00 0.00 C ATOM 1481 ND1 HIS A 100 9.520 -1.450 -5.921 1.00 0.00 N ATOM 1482 CD2 HIS A 100 8.846 -0.294 -4.200 1.00 0.00 C ATOM 1483 CE1 HIS A 100 8.724 -0.462 -6.349 1.00 0.00 C ATOM 1484 NE2 HIS A 100 8.287 0.267 -5.342 1.00 0.00 N ATOM 0 H HIS A 100 11.676 -3.546 -5.425 1.00 0.00 H new ATOM 0 HA HIS A 100 12.185 -1.113 -3.969 1.00 0.00 H new ATOM 0 HB2 HIS A 100 10.105 -3.319 -3.933 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.143 -2.123 -2.653 1.00 0.00 H new ATOM 0 HD2 HIS A 100 8.696 0.060 -3.191 1.00 0.00 H new ATOM 0 HE1 HIS A 100 8.473 -0.286 -7.384 1.00 0.00 H new ATOM 0 HE2 HIS A 100 7.667 1.075 -5.391 1.00 0.00 H new ATOM 1491 N ARG A 101 13.824 -2.221 -2.370 1.00 0.00 N ATOM 1492 CA ARG A 101 14.614 -2.653 -1.216 1.00 0.00 C ATOM 1493 C ARG A 101 13.936 -2.303 0.111 1.00 0.00 C ATOM 1494 O ARG A 101 13.935 -3.106 1.044 1.00 0.00 O ATOM 1495 CB ARG A 101 15.997 -2.004 -1.264 1.00 0.00 C ATOM 1496 CG ARG A 101 16.867 -2.492 -2.415 1.00 0.00 C ATOM 1497 CD ARG A 101 17.268 -3.947 -2.235 1.00 0.00 C ATOM 1498 NE ARG A 101 18.212 -4.386 -3.261 1.00 0.00 N ATOM 1499 CZ ARG A 101 18.701 -5.621 -3.334 1.00 0.00 C ATOM 1500 NH1 ARG A 101 19.558 -5.940 -4.296 1.00 0.00 N ATOM 1501 NH2 ARG A 101 18.332 -6.537 -2.447 1.00 0.00 N ATOM 0 H ARG A 101 14.282 -1.518 -2.950 1.00 0.00 H new ATOM 0 HA ARG A 101 14.703 -3.738 -1.270 1.00 0.00 H new ATOM 0 HB2 ARG A 101 15.878 -0.923 -1.344 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.512 -2.199 -0.324 1.00 0.00 H new ATOM 0 HG2 ARG A 101 16.327 -2.376 -3.355 1.00 0.00 H new ATOM 0 HG3 ARG A 101 17.762 -1.873 -2.483 1.00 0.00 H new ATOM 0 HD2 ARG A 101 17.715 -4.081 -1.250 1.00 0.00 H new ATOM 0 HD3 ARG A 101 16.378 -4.575 -2.269 1.00 0.00 H new ATOM 0 HE ARG A 101 18.513 -3.707 -3.960 1.00 0.00 H new ATOM 0 HH11 ARG A 101 19.842 -5.238 -4.980 1.00 0.00 H new ATOM 0 HH12 ARG A 101 19.933 -6.887 -4.352 1.00 0.00 H new ATOM 0 HH21 ARG A 101 17.672 -6.294 -1.708 1.00 0.00 H new ATOM 0 HH22 ARG A 101 18.708 -7.483 -2.505 1.00 0.00 H new ATOM 1515 N ARG A 102 13.362 -1.100 0.186 1.00 0.00 N ATOM 1516 CA ARG A 102 12.681 -0.649 1.402 1.00 0.00 C ATOM 1517 C ARG A 102 11.473 -1.531 1.704 1.00 0.00 C ATOM 1518 O ARG A 102 11.212 -1.879 2.858 1.00 0.00 O ATOM 1519 CB ARG A 102 12.236 0.811 1.271 1.00 0.00 C ATOM 1520 CG ARG A 102 11.549 1.352 2.518 1.00 0.00 C ATOM 1521 CD ARG A 102 12.506 1.434 3.697 1.00 0.00 C ATOM 1522 NE ARG A 102 13.599 2.375 3.456 1.00 0.00 N ATOM 1523 CZ ARG A 102 14.638 2.522 4.273 1.00 0.00 C ATOM 1524 NH1 ARG A 102 15.590 3.401 3.983 1.00 0.00 N ATOM 1525 NH2 ARG A 102 14.727 1.790 5.377 1.00 0.00 N ATOM 0 H ARG A 102 13.355 -0.423 -0.577 1.00 0.00 H new ATOM 0 HA ARG A 102 13.390 -0.726 2.226 1.00 0.00 H new ATOM 0 HB2 ARG A 102 13.106 1.429 1.048 1.00 0.00 H new ATOM 0 HB3 ARG A 102 11.556 0.901 0.424 1.00 0.00 H new ATOM 0 HG2 ARG A 102 11.143 2.342 2.309 1.00 0.00 H new ATOM 0 HG3 ARG A 102 10.707 0.710 2.777 1.00 0.00 H new ATOM 0 HD2 ARG A 102 11.957 1.738 4.588 1.00 0.00 H new ATOM 0 HD3 ARG A 102 12.918 0.445 3.898 1.00 0.00 H new ATOM 0 HE ARG A 102 13.563 2.951 2.615 1.00 0.00 H new ATOM 0 HH11 ARG A 102 15.524 3.963 3.134 1.00 0.00 H new ATOM 0 HH12 ARG A 102 16.387 3.514 4.609 1.00 0.00 H new ATOM 0 HH21 ARG A 102 13.997 1.113 5.600 1.00 0.00 H new ATOM 0 HH22 ARG A 102 15.525 1.905 6.002 1.00 0.00 H new ATOM 1539 N ALA A 103 10.740 -1.887 0.651 1.00 0.00 N ATOM 1540 CA ALA A 103 9.559 -2.729 0.784 1.00 0.00 C ATOM 1541 C ALA A 103 9.934 -4.084 1.364 1.00 0.00 C ATOM 1542 O ALA A 103 9.207 -4.636 2.181 1.00 0.00 O ATOM 1543 CB ALA A 103 8.868 -2.901 -0.556 1.00 0.00 C ATOM 0 H ALA A 103 10.947 -1.603 -0.307 1.00 0.00 H new ATOM 0 HA ALA A 103 8.866 -2.238 1.467 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.989 -3.533 -0.433 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.564 -1.926 -0.936 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.555 -3.368 -1.262 1.00 0.00 H new ATOM 1549 N ILE A 104 11.078 -4.611 0.931 1.00 0.00 N ATOM 1550 CA ILE A 104 11.570 -5.898 1.415 1.00 0.00 C ATOM 1551 C ILE A 104 11.847 -5.832 2.919 1.00 0.00 C ATOM 1552 O ILE A 104 11.507 -6.749 3.666 1.00 0.00 O ATOM 1553 CB ILE A 104 12.862 -6.316 0.669 1.00 0.00 C ATOM 1554 CG1 ILE A 104 12.581 -6.524 -0.822 1.00 0.00 C ATOM 1555 CG2 ILE A 104 13.457 -7.583 1.277 1.00 0.00 C ATOM 1556 CD1 ILE A 104 11.556 -7.604 -1.110 1.00 0.00 C ATOM 0 H ILE A 104 11.683 -4.164 0.243 1.00 0.00 H new ATOM 0 HA ILE A 104 10.798 -6.643 1.222 1.00 0.00 H new ATOM 0 HB ILE A 104 13.588 -5.510 0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 104 12.234 -5.584 -1.251 1.00 0.00 H new ATOM 0 HG13 ILE A 104 13.514 -6.779 -1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 104 14.363 -7.856 0.736 1.00 0.00 H new ATOM 0 HG22 ILE A 104 13.700 -7.404 2.324 1.00 0.00 H new ATOM 0 HG23 ILE A 104 12.734 -8.395 1.206 1.00 0.00 H new ATOM 0 HD11 ILE A 104 11.412 -7.691 -2.187 1.00 0.00 H new ATOM 0 HD12 ILE A 104 11.909 -8.556 -0.713 1.00 0.00 H new ATOM 0 HD13 ILE A 104 10.609 -7.342 -0.637 1.00 0.00 H new ATOM 1568 N HIS A 105 12.474 -4.742 3.351 1.00 0.00 N ATOM 1569 CA HIS A 105 12.803 -4.542 4.762 1.00 0.00 C ATOM 1570 C HIS A 105 11.544 -4.509 5.642 1.00 0.00 C ATOM 1571 O HIS A 105 11.475 -5.191 6.665 1.00 0.00 O ATOM 1572 CB HIS A 105 13.607 -3.243 4.925 1.00 0.00 C ATOM 1573 CG HIS A 105 14.016 -2.940 6.335 1.00 0.00 C ATOM 1574 ND1 HIS A 105 14.971 -3.650 7.027 1.00 0.00 N ATOM 1575 CD2 HIS A 105 13.583 -1.971 7.183 1.00 0.00 C ATOM 1576 CE1 HIS A 105 15.086 -3.105 8.245 1.00 0.00 C ATOM 1577 NE2 HIS A 105 14.267 -2.081 8.390 1.00 0.00 N ATOM 0 H HIS A 105 12.767 -3.978 2.741 1.00 0.00 H new ATOM 0 HA HIS A 105 13.406 -5.387 5.093 1.00 0.00 H new ATOM 0 HB2 HIS A 105 14.502 -3.304 4.305 1.00 0.00 H new ATOM 0 HB3 HIS A 105 13.012 -2.412 4.546 1.00 0.00 H new ATOM 0 HD2 HIS A 105 12.828 -1.233 6.956 1.00 0.00 H new ATOM 0 HE1 HIS A 105 15.762 -3.458 9.010 1.00 0.00 H new ATOM 0 HE2 HIS A 105 14.158 -1.492 9.216 1.00 0.00 H new ATOM 1584 N LEU A 106 10.544 -3.726 5.230 1.00 0.00 N ATOM 1585 CA LEU A 106 9.303 -3.598 6.003 1.00 0.00 C ATOM 1586 C LEU A 106 8.329 -4.761 5.782 1.00 0.00 C ATOM 1587 O LEU A 106 7.450 -4.996 6.611 1.00 0.00 O ATOM 1588 CB LEU A 106 8.617 -2.259 5.715 1.00 0.00 C ATOM 1589 CG LEU A 106 8.513 -1.318 6.924 1.00 0.00 C ATOM 1590 CD1 LEU A 106 9.890 -1.034 7.505 1.00 0.00 C ATOM 1591 CD2 LEU A 106 7.824 -0.018 6.541 1.00 0.00 C ATOM 0 H LEU A 106 10.567 -3.174 4.372 1.00 0.00 H new ATOM 0 HA LEU A 106 9.594 -3.633 7.053 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.164 -1.750 4.921 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.614 -2.454 5.336 1.00 0.00 H new ATOM 0 HG LEU A 106 7.911 -1.815 7.685 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.793 -0.365 8.360 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.350 -1.969 7.825 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.515 -0.564 6.746 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.762 0.632 7.414 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.396 0.480 5.758 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.819 -0.232 6.176 1.00 0.00 H new ATOM 1603 N ILE A 107 8.473 -5.478 4.666 1.00 0.00 N ATOM 1604 CA ILE A 107 7.591 -6.611 4.358 1.00 0.00 C ATOM 1605 C ILE A 107 7.726 -7.718 5.412 1.00 0.00 C ATOM 1606 O ILE A 107 6.827 -8.546 5.579 1.00 0.00 O ATOM 1607 CB ILE A 107 7.862 -7.185 2.939 1.00 0.00 C ATOM 1608 CG1 ILE A 107 6.584 -7.766 2.340 1.00 0.00 C ATOM 1609 CG2 ILE A 107 8.959 -8.242 2.954 1.00 0.00 C ATOM 1610 CD1 ILE A 107 5.785 -6.763 1.537 1.00 0.00 C ATOM 0 H ILE A 107 9.188 -5.297 3.962 1.00 0.00 H new ATOM 0 HA ILE A 107 6.569 -6.233 4.377 1.00 0.00 H new ATOM 0 HB ILE A 107 8.204 -6.358 2.317 1.00 0.00 H new ATOM 0 HG12 ILE A 107 6.843 -8.609 1.699 1.00 0.00 H new ATOM 0 HG13 ILE A 107 5.960 -8.156 3.144 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.117 -8.617 1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 107 9.884 -7.801 3.326 1.00 0.00 H new ATOM 0 HG23 ILE A 107 8.662 -9.065 3.604 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.891 -7.244 1.141 1.00 0.00 H new ATOM 0 HD12 ILE A 107 5.496 -5.931 2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 107 6.392 -6.391 0.712 1.00 0.00 H new ATOM 1622 N THR A 108 8.853 -7.706 6.125 1.00 0.00 N ATOM 1623 CA THR A 108 9.140 -8.685 7.175 1.00 0.00 C ATOM 1624 C THR A 108 8.129 -8.598 8.326 1.00 0.00 C ATOM 1625 O THR A 108 8.055 -9.494 9.166 1.00 0.00 O ATOM 1626 CB THR A 108 10.562 -8.482 7.736 1.00 0.00 C ATOM 1627 OG1 THR A 108 11.434 -8.016 6.698 1.00 0.00 O ATOM 1628 CG2 THR A 108 11.113 -9.779 8.311 1.00 0.00 C ATOM 0 H THR A 108 9.593 -7.017 5.991 1.00 0.00 H new ATOM 0 HA THR A 108 9.063 -9.672 6.718 1.00 0.00 H new ATOM 0 HB THR A 108 10.508 -7.742 8.534 1.00 0.00 H new ATOM 0 HG1 THR A 108 11.454 -7.036 6.703 1.00 0.00 H new ATOM 0 HG21 THR A 108 12.117 -9.607 8.700 1.00 0.00 H new ATOM 0 HG22 THR A 108 10.466 -10.123 9.118 1.00 0.00 H new ATOM 0 HG23 THR A 108 11.152 -10.537 7.528 1.00 0.00 H new ATOM 1636 N ASN A 109 7.361 -7.508 8.367 1.00 0.00 N ATOM 1637 CA ASN A 109 6.361 -7.311 9.419 1.00 0.00 C ATOM 1638 C ASN A 109 5.191 -8.284 9.271 1.00 0.00 C ATOM 1639 O ASN A 109 4.516 -8.601 10.253 1.00 0.00 O ATOM 1640 CB ASN A 109 5.844 -5.870 9.419 1.00 0.00 C ATOM 1641 CG ASN A 109 6.809 -4.908 10.082 1.00 0.00 C ATOM 1642 OD1 ASN A 109 6.882 -4.834 11.306 1.00 0.00 O ATOM 1643 ND2 ASN A 109 7.557 -4.166 9.279 1.00 0.00 N ATOM 0 H ASN A 109 7.411 -6.750 7.686 1.00 0.00 H new ATOM 0 HA ASN A 109 6.852 -7.510 10.371 1.00 0.00 H new ATOM 0 HB2 ASN A 109 5.666 -5.551 8.392 1.00 0.00 H new ATOM 0 HB3 ASN A 109 4.885 -5.831 9.935 1.00 0.00 H new ATOM 0 HD21 ASN A 109 8.224 -3.503 9.672 1.00 0.00 H new ATOM 0 HD22 ASN A 109 7.466 -4.258 8.267 1.00 0.00 H new ATOM 1650 N TYR A 110 4.937 -8.742 8.050 1.00 0.00 N ATOM 1651 CA TYR A 110 3.850 -9.688 7.803 1.00 0.00 C ATOM 1652 C TYR A 110 4.211 -11.067 8.358 1.00 0.00 C ATOM 1653 O TYR A 110 5.268 -11.615 8.044 1.00 0.00 O ATOM 1654 CB TYR A 110 3.549 -9.780 6.300 1.00 0.00 C ATOM 1655 CG TYR A 110 2.515 -10.830 5.945 1.00 0.00 C ATOM 1656 CD1 TYR A 110 1.155 -10.598 6.128 1.00 0.00 C ATOM 1657 CD2 TYR A 110 2.904 -12.062 5.431 1.00 0.00 C ATOM 1658 CE1 TYR A 110 0.219 -11.563 5.812 1.00 0.00 C ATOM 1659 CE2 TYR A 110 1.971 -13.030 5.111 1.00 0.00 C ATOM 1660 CZ TYR A 110 0.632 -12.776 5.305 1.00 0.00 C ATOM 1661 OH TYR A 110 -0.297 -13.740 4.997 1.00 0.00 O ATOM 0 H TYR A 110 5.465 -8.476 7.219 1.00 0.00 H new ATOM 0 HA TYR A 110 2.956 -9.329 8.313 1.00 0.00 H new ATOM 0 HB2 TYR A 110 3.202 -8.808 5.949 1.00 0.00 H new ATOM 0 HB3 TYR A 110 4.474 -10.000 5.767 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.826 -9.648 6.523 1.00 0.00 H new ATOM 0 HD2 TYR A 110 3.954 -12.266 5.279 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.833 -11.368 5.962 1.00 0.00 H new ATOM 0 HE2 TYR A 110 2.291 -13.981 4.711 1.00 0.00 H new ATOM 0 HH TYR A 110 0.159 -14.535 4.650 1.00 0.00 H new