USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 537 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HE2:sc= -4.77 K(o=-4.8,f=-6.3!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -138:sc= -0.192 (180deg=-1.26) USER MOD Single : A 43 MET CE :methyl -123:sc= -1.71 (180deg=-3.99!) USER MOD Single : A 49 ASN : amide:sc= -0.274 K(o=-0.27,f=-0.9) USER MOD Single : A 51 HIS : no HD1:sc= -0.0545 X(o=-0.054,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.0184 X(o=-0.018,f=-0.48) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.502 K(o=-0.5,f=-2.6!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -167:sc= 0.266 (180deg=0.0424) USER MOD ----------------------------------------------------------------- ATOM 176 N VAL A 15 -0.318 -17.279 15.679 1.00 0.00 N ATOM 177 CA VAL A 15 -0.210 -15.846 15.929 1.00 0.00 C ATOM 178 C VAL A 15 0.306 -15.111 14.698 1.00 0.00 C ATOM 179 O VAL A 15 1.235 -15.556 14.022 1.00 0.00 O ATOM 180 CB VAL A 15 0.724 -15.554 17.118 1.00 0.00 C ATOM 181 CG1 VAL A 15 2.130 -16.057 16.829 1.00 0.00 C ATOM 182 CG2 VAL A 15 0.736 -14.065 17.431 1.00 0.00 C ATOM 0 HA VAL A 15 -1.212 -15.489 16.167 1.00 0.00 H new ATOM 0 HB VAL A 15 0.347 -16.084 17.993 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.776 -15.842 17.680 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.103 -17.133 16.657 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.520 -15.557 15.942 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.401 -13.876 18.274 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.088 -13.513 16.560 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.273 -13.738 17.684 1.00 0.00 H new ATOM 192 N PRO A 16 -0.307 -13.956 14.398 1.00 0.00 N ATOM 193 CA PRO A 16 0.075 -13.133 13.247 1.00 0.00 C ATOM 194 C PRO A 16 1.438 -12.474 13.432 1.00 0.00 C ATOM 195 O PRO A 16 2.073 -12.623 14.475 1.00 0.00 O ATOM 196 CB PRO A 16 -1.028 -12.073 13.187 1.00 0.00 C ATOM 197 CG PRO A 16 -1.541 -11.982 14.583 1.00 0.00 C ATOM 198 CD PRO A 16 -1.420 -13.365 15.159 1.00 0.00 C ATOM 0 HA PRO A 16 0.167 -13.724 12.336 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.638 -11.114 12.845 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.817 -12.362 12.493 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.963 -11.265 15.165 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.577 -11.643 14.597 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.206 -13.338 16.228 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.341 -13.935 15.032 1.00 0.00 H new ATOM 206 N VAL A 17 1.881 -11.745 12.413 1.00 0.00 N ATOM 207 CA VAL A 17 3.168 -11.062 12.463 1.00 0.00 C ATOM 208 C VAL A 17 3.090 -9.694 11.795 1.00 0.00 C ATOM 209 O VAL A 17 2.192 -9.430 10.996 1.00 0.00 O ATOM 210 CB VAL A 17 4.272 -11.892 11.782 1.00 0.00 C ATOM 211 CG1 VAL A 17 4.764 -12.991 12.711 1.00 0.00 C ATOM 212 CG2 VAL A 17 3.765 -12.479 10.472 1.00 0.00 C ATOM 0 H VAL A 17 1.367 -11.612 11.542 1.00 0.00 H new ATOM 0 HA VAL A 17 3.418 -10.935 13.516 1.00 0.00 H new ATOM 0 HB VAL A 17 5.112 -11.234 11.559 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.544 -13.567 12.212 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.167 -12.545 13.620 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.934 -13.650 12.967 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.558 -13.063 10.004 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.908 -13.123 10.669 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.465 -11.672 9.803 1.00 0.00 H new ATOM 222 N THR A 18 4.040 -8.825 12.127 1.00 0.00 N ATOM 223 CA THR A 18 4.080 -7.482 11.560 1.00 0.00 C ATOM 224 C THR A 18 5.117 -7.387 10.447 1.00 0.00 C ATOM 225 O THR A 18 6.241 -7.868 10.590 1.00 0.00 O ATOM 226 CB THR A 18 4.399 -6.428 12.637 1.00 0.00 C ATOM 227 OG1 THR A 18 3.531 -6.597 13.762 1.00 0.00 O ATOM 228 CG2 THR A 18 4.245 -5.021 12.078 1.00 0.00 C ATOM 0 H THR A 18 4.792 -9.027 12.786 1.00 0.00 H new ATOM 0 HA THR A 18 3.091 -7.282 11.148 1.00 0.00 H new ATOM 0 HB THR A 18 5.433 -6.566 12.954 1.00 0.00 H new ATOM 0 HG1 THR A 18 3.742 -5.924 14.442 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.475 -4.293 12.856 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.929 -4.885 11.240 1.00 0.00 H new ATOM 0 HG23 THR A 18 3.220 -4.875 11.737 1.00 0.00 H new ATOM 236 N ILE A 19 4.732 -6.762 9.339 1.00 0.00 N ATOM 237 CA ILE A 19 5.631 -6.602 8.202 1.00 0.00 C ATOM 238 C ILE A 19 5.791 -5.132 7.831 1.00 0.00 C ATOM 239 O ILE A 19 5.133 -4.263 8.402 1.00 0.00 O ATOM 240 CB ILE A 19 5.124 -7.378 6.972 1.00 0.00 C ATOM 241 CG1 ILE A 19 3.755 -6.851 6.538 1.00 0.00 C ATOM 242 CG2 ILE A 19 5.054 -8.867 7.277 1.00 0.00 C ATOM 243 CD1 ILE A 19 3.422 -7.154 5.093 1.00 0.00 C ATOM 0 H ILE A 19 3.805 -6.359 9.204 1.00 0.00 H new ATOM 0 HA ILE A 19 6.598 -7.005 8.504 1.00 0.00 H new ATOM 0 HB ILE A 19 5.826 -7.229 6.151 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.987 -7.286 7.178 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.724 -5.772 6.691 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.694 -9.402 6.398 1.00 0.00 H new ATOM 0 HG22 ILE A 19 6.047 -9.231 7.542 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.371 -9.036 8.110 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.438 -6.751 4.854 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.168 -6.696 4.444 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.420 -8.233 4.939 1.00 0.00 H new ATOM 255 N GLU A 20 6.669 -4.861 6.871 1.00 0.00 N ATOM 256 CA GLU A 20 6.915 -3.495 6.424 1.00 0.00 C ATOM 257 C GLU A 20 6.625 -3.351 4.933 1.00 0.00 C ATOM 258 O GLU A 20 7.001 -4.206 4.129 1.00 0.00 O ATOM 259 CB GLU A 20 8.362 -3.093 6.714 1.00 0.00 C ATOM 260 CG GLU A 20 8.623 -2.776 8.177 1.00 0.00 C ATOM 261 CD GLU A 20 10.071 -2.409 8.445 1.00 0.00 C ATOM 262 OE1 GLU A 20 10.965 -3.075 7.882 1.00 0.00 O ATOM 263 OE2 GLU A 20 10.308 -1.457 9.217 1.00 0.00 O ATOM 0 H GLU A 20 7.222 -5.569 6.388 1.00 0.00 H new ATOM 0 HA GLU A 20 6.245 -2.834 6.973 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.024 -3.901 6.402 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.616 -2.221 6.111 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.980 -1.952 8.487 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.352 -3.638 8.786 1.00 0.00 H new ATOM 270 N VAL A 21 5.952 -2.264 4.568 1.00 0.00 N ATOM 271 CA VAL A 21 5.612 -2.006 3.175 1.00 0.00 C ATOM 272 C VAL A 21 6.017 -0.596 2.762 1.00 0.00 C ATOM 273 O VAL A 21 5.500 0.389 3.290 1.00 0.00 O ATOM 274 CB VAL A 21 4.104 -2.189 2.922 1.00 0.00 C ATOM 275 CG1 VAL A 21 3.800 -2.129 1.433 1.00 0.00 C ATOM 276 CG2 VAL A 21 3.619 -3.500 3.521 1.00 0.00 C ATOM 0 H VAL A 21 5.631 -1.548 5.219 1.00 0.00 H new ATOM 0 HA VAL A 21 6.164 -2.730 2.576 1.00 0.00 H new ATOM 0 HB VAL A 21 3.570 -1.373 3.410 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.730 -2.260 1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.109 -1.162 1.037 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.343 -2.922 0.919 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.551 -3.613 3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.158 -4.330 3.064 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.800 -3.498 4.596 1.00 0.00 H new ATOM 286 N GLU A 22 6.946 -0.506 1.814 1.00 0.00 N ATOM 287 CA GLU A 22 7.420 0.785 1.330 1.00 0.00 C ATOM 288 C GLU A 22 6.323 1.515 0.562 1.00 0.00 C ATOM 289 O GLU A 22 5.912 1.085 -0.516 1.00 0.00 O ATOM 290 CB GLU A 22 8.648 0.600 0.436 1.00 0.00 C ATOM 291 CG GLU A 22 9.918 0.273 1.204 1.00 0.00 C ATOM 292 CD GLU A 22 10.971 -0.388 0.336 1.00 0.00 C ATOM 293 OE1 GLU A 22 11.585 0.316 -0.493 1.00 0.00 O ATOM 294 OE2 GLU A 22 11.182 -1.610 0.488 1.00 0.00 O ATOM 0 H GLU A 22 7.384 -1.311 1.367 1.00 0.00 H new ATOM 0 HA GLU A 22 7.697 1.389 2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.450 -0.199 -0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.807 1.511 -0.141 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.327 1.189 1.630 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.674 -0.385 2.038 1.00 0.00 H new ATOM 301 N VAL A 23 5.852 2.624 1.125 1.00 0.00 N ATOM 302 CA VAL A 23 4.803 3.415 0.494 1.00 0.00 C ATOM 303 C VAL A 23 4.956 4.895 0.825 1.00 0.00 C ATOM 304 O VAL A 23 5.255 5.276 1.958 1.00 0.00 O ATOM 305 CB VAL A 23 3.404 2.944 0.933 1.00 0.00 C ATOM 306 CG1 VAL A 23 2.327 3.834 0.330 1.00 0.00 C ATOM 307 CG2 VAL A 23 3.185 1.490 0.543 1.00 0.00 C ATOM 0 H VAL A 23 6.181 2.994 2.017 1.00 0.00 H new ATOM 0 HA VAL A 23 4.905 3.274 -0.582 1.00 0.00 H new ATOM 0 HB VAL A 23 3.338 3.019 2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.345 3.486 0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.475 4.861 0.664 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.388 3.793 -0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.191 1.174 0.861 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.270 1.387 -0.539 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.936 0.866 1.027 1.00 0.00 H new ATOM 317 N PRO A 24 4.746 5.753 -0.185 1.00 0.00 N ATOM 318 CA PRO A 24 4.853 7.207 -0.024 1.00 0.00 C ATOM 319 C PRO A 24 3.727 7.780 0.829 1.00 0.00 C ATOM 320 O PRO A 24 2.549 7.553 0.553 1.00 0.00 O ATOM 321 CB PRO A 24 4.758 7.729 -1.459 1.00 0.00 C ATOM 322 CG PRO A 24 4.003 6.678 -2.197 1.00 0.00 C ATOM 323 CD PRO A 24 4.385 5.371 -1.560 1.00 0.00 C ATOM 0 HA PRO A 24 5.771 7.495 0.489 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.241 8.688 -1.498 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.747 7.882 -1.891 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.929 6.847 -2.127 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.258 6.685 -3.257 1.00 0.00 H new ATOM 0 HD2 PRO A 24 3.559 4.660 -1.576 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.220 4.900 -2.079 1.00 0.00 H new ATOM 331 N PHE A 25 4.097 8.527 1.864 1.00 0.00 N ATOM 332 CA PHE A 25 3.116 9.134 2.757 1.00 0.00 C ATOM 333 C PHE A 25 2.095 9.948 1.970 1.00 0.00 C ATOM 334 O PHE A 25 0.914 9.989 2.320 1.00 0.00 O ATOM 335 CB PHE A 25 3.815 10.027 3.785 1.00 0.00 C ATOM 336 CG PHE A 25 2.882 10.606 4.809 1.00 0.00 C ATOM 337 CD1 PHE A 25 1.957 11.575 4.455 1.00 0.00 C ATOM 338 CD2 PHE A 25 2.929 10.179 6.127 1.00 0.00 C ATOM 339 CE1 PHE A 25 1.097 12.109 5.396 1.00 0.00 C ATOM 340 CE2 PHE A 25 2.071 10.709 7.072 1.00 0.00 C ATOM 341 CZ PHE A 25 1.155 11.676 6.706 1.00 0.00 C ATOM 0 H PHE A 25 5.068 8.727 2.105 1.00 0.00 H new ATOM 0 HA PHE A 25 2.591 8.333 3.278 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.585 9.447 4.294 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.320 10.841 3.264 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.907 11.917 3.432 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.644 9.424 6.419 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.381 12.864 5.107 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.117 10.367 8.096 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.485 12.093 7.443 1.00 0.00 H new ATOM 351 N ASP A 26 2.556 10.596 0.906 1.00 0.00 N ATOM 352 CA ASP A 26 1.684 11.410 0.068 1.00 0.00 C ATOM 353 C ASP A 26 0.441 10.627 -0.346 1.00 0.00 C ATOM 354 O ASP A 26 -0.575 11.208 -0.724 1.00 0.00 O ATOM 355 CB ASP A 26 2.435 11.891 -1.174 1.00 0.00 C ATOM 356 CG ASP A 26 3.603 12.795 -0.830 1.00 0.00 C ATOM 357 OD1 ASP A 26 4.644 12.273 -0.380 1.00 0.00 O ATOM 358 OD2 ASP A 26 3.475 14.024 -1.010 1.00 0.00 O ATOM 0 H ASP A 26 3.530 10.573 0.603 1.00 0.00 H new ATOM 0 HA ASP A 26 1.369 12.276 0.650 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.799 11.028 -1.732 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.746 12.426 -1.828 1.00 0.00 H new ATOM 363 N LEU A 27 0.532 9.302 -0.272 1.00 0.00 N ATOM 364 CA LEU A 27 -0.583 8.438 -0.640 1.00 0.00 C ATOM 365 C LEU A 27 -1.382 8.025 0.592 1.00 0.00 C ATOM 366 O LEU A 27 -2.603 7.873 0.531 1.00 0.00 O ATOM 367 CB LEU A 27 -0.072 7.195 -1.370 1.00 0.00 C ATOM 368 CG LEU A 27 0.453 7.418 -2.789 1.00 0.00 C ATOM 369 CD1 LEU A 27 1.019 6.127 -3.358 1.00 0.00 C ATOM 370 CD2 LEU A 27 -0.649 7.962 -3.686 1.00 0.00 C ATOM 0 H LEU A 27 1.366 8.805 0.039 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.240 8.998 -1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.726 6.751 -0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.881 6.466 -1.414 1.00 0.00 H new ATOM 0 HG LEU A 27 1.256 8.154 -2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.388 6.305 -4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.839 5.780 -2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.237 5.368 -3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.257 8.115 -4.692 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.474 7.250 -3.722 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.007 8.912 -3.288 1.00 0.00 H new ATOM 382 N HIS A 28 -0.685 7.847 1.710 1.00 0.00 N ATOM 383 CA HIS A 28 -1.330 7.455 2.958 1.00 0.00 C ATOM 384 C HIS A 28 -2.687 8.136 3.106 1.00 0.00 C ATOM 385 O HIS A 28 -3.715 7.471 3.240 1.00 0.00 O ATOM 386 CB HIS A 28 -0.438 7.806 4.150 1.00 0.00 C ATOM 387 CG HIS A 28 0.783 6.945 4.258 1.00 0.00 C ATOM 388 ND1 HIS A 28 1.591 6.921 5.375 1.00 0.00 N ATOM 389 CD2 HIS A 28 1.331 6.072 3.380 1.00 0.00 C ATOM 390 CE1 HIS A 28 2.585 6.074 5.180 1.00 0.00 C ATOM 391 NE2 HIS A 28 2.449 5.544 3.977 1.00 0.00 N ATOM 0 H HIS A 28 0.326 7.968 1.777 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.485 6.376 2.934 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -0.131 8.849 4.069 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.019 7.715 5.068 1.00 0.00 H new ATOM 0 HD1 HIS A 28 1.444 7.472 6.221 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.958 5.835 2.394 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.374 5.852 5.883 1.00 0.00 H new ATOM 399 N ARG A 29 -2.683 9.465 3.082 1.00 0.00 N ATOM 400 CA ARG A 29 -3.914 10.235 3.215 1.00 0.00 C ATOM 401 C ARG A 29 -5.015 9.659 2.330 1.00 0.00 C ATOM 402 O ARG A 29 -6.179 9.601 2.728 1.00 0.00 O ATOM 403 CB ARG A 29 -3.666 11.699 2.850 1.00 0.00 C ATOM 404 CG ARG A 29 -3.233 11.902 1.407 1.00 0.00 C ATOM 405 CD ARG A 29 -2.587 13.264 1.205 1.00 0.00 C ATOM 406 NE ARG A 29 -3.566 14.286 0.843 1.00 0.00 N ATOM 407 CZ ARG A 29 -3.380 15.586 1.050 1.00 0.00 C ATOM 408 NH1 ARG A 29 -2.260 16.019 1.610 1.00 0.00 N ATOM 409 NH2 ARG A 29 -4.318 16.455 0.693 1.00 0.00 N ATOM 0 H ARG A 29 -1.841 10.031 2.972 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.239 10.176 4.254 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.577 12.269 3.031 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.900 12.105 3.511 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.530 11.119 1.124 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.097 11.807 0.750 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.074 13.561 2.120 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.830 13.194 0.424 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.439 13.986 0.408 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.537 15.354 1.884 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.121 17.017 1.767 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.181 16.125 0.260 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.176 17.453 0.852 1.00 0.00 H new ATOM 423 N TYR A 30 -4.639 9.233 1.129 1.00 0.00 N ATOM 424 CA TYR A 30 -5.596 8.663 0.187 1.00 0.00 C ATOM 425 C TYR A 30 -5.937 7.224 0.561 1.00 0.00 C ATOM 426 O TYR A 30 -7.095 6.810 0.493 1.00 0.00 O ATOM 427 CB TYR A 30 -5.033 8.713 -1.235 1.00 0.00 C ATOM 428 CG TYR A 30 -4.565 10.089 -1.653 1.00 0.00 C ATOM 429 CD1 TYR A 30 -5.330 11.217 -1.380 1.00 0.00 C ATOM 430 CD2 TYR A 30 -3.359 10.261 -2.322 1.00 0.00 C ATOM 431 CE1 TYR A 30 -4.906 12.475 -1.760 1.00 0.00 C ATOM 432 CE2 TYR A 30 -2.928 11.515 -2.705 1.00 0.00 C ATOM 433 CZ TYR A 30 -3.705 12.620 -2.423 1.00 0.00 C ATOM 434 OH TYR A 30 -3.279 13.872 -2.803 1.00 0.00 O ATOM 0 H TYR A 30 -3.680 9.271 0.785 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.509 9.256 0.231 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.198 8.016 -1.311 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.798 8.371 -1.932 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.271 11.108 -0.862 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.749 9.399 -2.546 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.512 13.341 -1.539 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.987 11.631 -3.223 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.414 13.799 -3.258 1.00 0.00 H new ATOM 444 N VAL A 31 -4.920 6.464 0.956 1.00 0.00 N ATOM 445 CA VAL A 31 -5.111 5.072 1.343 1.00 0.00 C ATOM 446 C VAL A 31 -6.105 4.952 2.493 1.00 0.00 C ATOM 447 O VAL A 31 -7.084 4.211 2.406 1.00 0.00 O ATOM 448 CB VAL A 31 -3.780 4.417 1.759 1.00 0.00 C ATOM 449 CG1 VAL A 31 -3.998 2.962 2.144 1.00 0.00 C ATOM 450 CG2 VAL A 31 -2.757 4.534 0.639 1.00 0.00 C ATOM 0 H VAL A 31 -3.955 6.790 1.016 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.506 4.553 0.470 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.392 4.944 2.631 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.047 2.516 2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.695 2.907 2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.409 2.418 1.293 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.823 4.066 0.949 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.135 4.033 -0.253 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.580 5.586 0.417 1.00 0.00 H new ATOM 460 N ILE A 32 -5.847 5.687 3.570 1.00 0.00 N ATOM 461 CA ILE A 32 -6.719 5.664 4.737 1.00 0.00 C ATOM 462 C ILE A 32 -8.093 6.238 4.407 1.00 0.00 C ATOM 463 O ILE A 32 -9.105 5.545 4.497 1.00 0.00 O ATOM 464 CB ILE A 32 -6.112 6.457 5.909 1.00 0.00 C ATOM 465 CG1 ILE A 32 -4.676 5.999 6.173 1.00 0.00 C ATOM 466 CG2 ILE A 32 -6.965 6.290 7.159 1.00 0.00 C ATOM 467 CD1 ILE A 32 -3.893 6.946 7.055 1.00 0.00 C ATOM 0 H ILE A 32 -5.041 6.306 3.658 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.825 4.620 5.032 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.094 7.514 5.643 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.697 5.014 6.640 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.157 5.889 5.221 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.523 6.856 7.979 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.972 6.659 6.964 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.011 5.235 7.430 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.885 6.558 7.200 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.841 7.926 6.580 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.389 7.037 8.021 1.00 0.00 H new ATOM 550 N ILE A 39 -9.029 1.213 3.126 1.00 0.00 N ATOM 551 CA ILE A 39 -8.307 0.298 4.000 1.00 0.00 C ATOM 552 C ILE A 39 -9.241 -0.756 4.586 1.00 0.00 C ATOM 553 O ILE A 39 -8.931 -1.947 4.580 1.00 0.00 O ATOM 554 CB ILE A 39 -7.612 1.048 5.152 1.00 0.00 C ATOM 555 CG1 ILE A 39 -6.562 2.015 4.600 1.00 0.00 C ATOM 556 CG2 ILE A 39 -6.976 0.063 6.120 1.00 0.00 C ATOM 557 CD1 ILE A 39 -5.626 2.559 5.656 1.00 0.00 C ATOM 0 HA ILE A 39 -7.550 -0.191 3.387 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.362 1.625 5.694 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.976 1.505 3.835 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.068 2.847 4.111 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.489 0.609 6.928 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.746 -0.588 6.535 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.237 -0.540 5.593 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.909 3.237 5.193 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.201 3.098 6.409 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.092 1.735 6.129 1.00 0.00 H new ATOM 569 N ARG A 40 -10.387 -0.308 5.090 1.00 0.00 N ATOM 570 CA ARG A 40 -11.367 -1.212 5.679 1.00 0.00 C ATOM 571 C ARG A 40 -11.665 -2.377 4.740 1.00 0.00 C ATOM 572 O ARG A 40 -11.574 -3.541 5.130 1.00 0.00 O ATOM 573 CB ARG A 40 -12.659 -0.458 6.000 1.00 0.00 C ATOM 574 CG ARG A 40 -13.523 -1.146 7.044 1.00 0.00 C ATOM 575 CD ARG A 40 -12.977 -0.930 8.447 1.00 0.00 C ATOM 576 NE ARG A 40 -13.830 -1.538 9.466 1.00 0.00 N ATOM 577 CZ ARG A 40 -13.398 -1.894 10.671 1.00 0.00 C ATOM 578 NH1 ARG A 40 -12.129 -1.706 11.005 1.00 0.00 N ATOM 579 NH2 ARG A 40 -14.235 -2.440 11.542 1.00 0.00 N ATOM 0 H ARG A 40 -10.659 0.675 5.102 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.948 -1.611 6.603 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.408 0.543 6.351 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.237 -0.339 5.084 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -14.542 -0.762 6.985 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -13.572 -2.214 6.831 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.974 -1.352 8.515 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.887 0.139 8.640 1.00 0.00 H new ATOM 0 HE ARG A 40 -14.812 -1.698 9.240 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.482 -1.287 10.336 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.799 -1.980 11.931 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -15.212 -2.587 11.287 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.902 -2.713 12.467 1.00 0.00 H new ATOM 593 N LYS A 41 -12.022 -2.056 3.502 1.00 0.00 N ATOM 594 CA LYS A 41 -12.334 -3.074 2.505 1.00 0.00 C ATOM 595 C LYS A 41 -11.271 -4.168 2.496 1.00 0.00 C ATOM 596 O LYS A 41 -11.591 -5.357 2.482 1.00 0.00 O ATOM 597 CB LYS A 41 -12.442 -2.442 1.116 1.00 0.00 C ATOM 598 CG LYS A 41 -12.959 -3.395 0.053 1.00 0.00 C ATOM 599 CD LYS A 41 -12.986 -2.740 -1.318 1.00 0.00 C ATOM 600 CE LYS A 41 -12.967 -3.777 -2.431 1.00 0.00 C ATOM 601 NZ LYS A 41 -14.294 -4.429 -2.604 1.00 0.00 N ATOM 0 H LYS A 41 -12.103 -1.097 3.164 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.292 -3.523 2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.104 -1.578 1.170 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.461 -2.074 0.816 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.327 -4.283 0.021 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.963 -3.727 0.318 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.879 -2.122 -1.410 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.128 -2.077 -1.423 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.672 -3.301 -3.366 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.216 -4.535 -2.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.240 -5.129 -3.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.565 -4.905 -1.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.006 -3.709 -2.842 1.00 0.00 H new ATOM 615 N MET A 42 -10.007 -3.759 2.506 1.00 0.00 N ATOM 616 CA MET A 42 -8.897 -4.706 2.501 1.00 0.00 C ATOM 617 C MET A 42 -8.860 -5.506 3.800 1.00 0.00 C ATOM 618 O MET A 42 -9.000 -6.728 3.790 1.00 0.00 O ATOM 619 CB MET A 42 -7.570 -3.970 2.305 1.00 0.00 C ATOM 620 CG MET A 42 -7.483 -3.217 0.986 1.00 0.00 C ATOM 621 SD MET A 42 -6.440 -1.750 1.091 1.00 0.00 S ATOM 622 CE MET A 42 -4.827 -2.498 1.309 1.00 0.00 C ATOM 0 H MET A 42 -9.725 -2.779 2.518 1.00 0.00 H new ATOM 0 HA MET A 42 -9.046 -5.397 1.672 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.429 -3.267 3.126 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.753 -4.690 2.358 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.091 -3.883 0.217 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.485 -2.924 0.673 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.268 -1.944 2.063 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.946 -3.532 1.633 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.284 -2.474 0.364 1.00 0.00 H new ATOM 632 N MET A 43 -8.669 -4.808 4.915 1.00 0.00 N ATOM 633 CA MET A 43 -8.615 -5.455 6.221 1.00 0.00 C ATOM 634 C MET A 43 -9.723 -6.494 6.359 1.00 0.00 C ATOM 635 O MET A 43 -9.478 -7.623 6.784 1.00 0.00 O ATOM 636 CB MET A 43 -8.734 -4.412 7.334 1.00 0.00 C ATOM 637 CG MET A 43 -7.575 -3.430 7.375 1.00 0.00 C ATOM 638 SD MET A 43 -7.478 -2.534 8.936 1.00 0.00 S ATOM 639 CE MET A 43 -8.815 -1.359 8.736 1.00 0.00 C ATOM 0 H MET A 43 -8.549 -3.795 4.940 1.00 0.00 H new ATOM 0 HA MET A 43 -7.654 -5.962 6.310 1.00 0.00 H new ATOM 0 HB2 MET A 43 -9.664 -3.858 7.203 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.800 -4.924 8.294 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.642 -3.969 7.211 1.00 0.00 H new ATOM 0 HG3 MET A 43 -7.679 -2.717 6.557 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.428 -0.346 8.844 1.00 0.00 H new ATOM 0 HE2 MET A 43 -9.256 -1.475 7.746 1.00 0.00 H new ATOM 0 HE3 MET A 43 -9.575 -1.540 9.496 1.00 0.00 H new ATOM 649 N ASP A 44 -10.941 -6.105 6.000 1.00 0.00 N ATOM 650 CA ASP A 44 -12.086 -7.004 6.083 1.00 0.00 C ATOM 651 C ASP A 44 -11.932 -8.171 5.115 1.00 0.00 C ATOM 652 O ASP A 44 -12.323 -9.298 5.419 1.00 0.00 O ATOM 653 CB ASP A 44 -13.380 -6.245 5.785 1.00 0.00 C ATOM 654 CG ASP A 44 -13.968 -5.594 7.023 1.00 0.00 C ATOM 655 OD1 ASP A 44 -14.682 -6.289 7.776 1.00 0.00 O ATOM 656 OD2 ASP A 44 -13.712 -4.391 7.238 1.00 0.00 O ATOM 0 H ASP A 44 -11.161 -5.173 5.649 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.132 -7.401 7.097 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -13.184 -5.480 5.034 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.110 -6.932 5.357 1.00 0.00 H new ATOM 661 N GLU A 45 -11.362 -7.894 3.946 1.00 0.00 N ATOM 662 CA GLU A 45 -11.159 -8.922 2.932 1.00 0.00 C ATOM 663 C GLU A 45 -10.125 -9.945 3.394 1.00 0.00 C ATOM 664 O GLU A 45 -10.408 -11.141 3.467 1.00 0.00 O ATOM 665 CB GLU A 45 -10.712 -8.288 1.613 1.00 0.00 C ATOM 666 CG GLU A 45 -10.421 -9.301 0.519 1.00 0.00 C ATOM 667 CD GLU A 45 -11.667 -10.023 0.045 1.00 0.00 C ATOM 668 OE1 GLU A 45 -12.244 -10.793 0.842 1.00 0.00 O ATOM 669 OE2 GLU A 45 -12.065 -9.818 -1.120 1.00 0.00 O ATOM 0 H GLU A 45 -11.033 -6.966 3.678 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.108 -9.435 2.776 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.487 -7.605 1.267 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.818 -7.691 1.791 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.956 -8.794 -0.326 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.701 -10.031 0.888 1.00 0.00 H new ATOM 676 N PHE A 46 -8.926 -9.466 3.704 1.00 0.00 N ATOM 677 CA PHE A 46 -7.848 -10.338 4.158 1.00 0.00 C ATOM 678 C PHE A 46 -7.865 -10.480 5.677 1.00 0.00 C ATOM 679 O PHE A 46 -6.920 -10.994 6.273 1.00 0.00 O ATOM 680 CB PHE A 46 -6.494 -9.791 3.701 1.00 0.00 C ATOM 681 CG PHE A 46 -6.437 -9.483 2.232 1.00 0.00 C ATOM 682 CD1 PHE A 46 -6.407 -10.505 1.297 1.00 0.00 C ATOM 683 CD2 PHE A 46 -6.412 -8.171 1.786 1.00 0.00 C ATOM 684 CE1 PHE A 46 -6.354 -10.225 -0.055 1.00 0.00 C ATOM 685 CE2 PHE A 46 -6.360 -7.886 0.435 1.00 0.00 C ATOM 686 CZ PHE A 46 -6.330 -8.914 -0.487 1.00 0.00 C ATOM 0 H PHE A 46 -8.675 -8.479 3.649 1.00 0.00 H new ATOM 0 HA PHE A 46 -8.002 -11.323 3.717 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.269 -8.885 4.263 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.718 -10.517 3.942 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.425 -11.533 1.629 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.433 -7.363 2.502 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.331 -11.031 -0.773 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.343 -6.859 0.100 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.288 -8.693 -1.543 1.00 0.00 H new ATOM 696 N GLU A 47 -8.948 -10.018 6.296 1.00 0.00 N ATOM 697 CA GLU A 47 -9.088 -10.092 7.745 1.00 0.00 C ATOM 698 C GLU A 47 -7.777 -9.729 8.437 1.00 0.00 C ATOM 699 O GLU A 47 -7.425 -10.308 9.466 1.00 0.00 O ATOM 700 CB GLU A 47 -9.529 -11.496 8.166 1.00 0.00 C ATOM 701 CG GLU A 47 -10.968 -11.816 7.805 1.00 0.00 C ATOM 702 CD GLU A 47 -11.942 -11.455 8.911 1.00 0.00 C ATOM 703 OE1 GLU A 47 -12.184 -10.247 9.114 1.00 0.00 O ATOM 704 OE2 GLU A 47 -12.460 -12.379 9.571 1.00 0.00 O ATOM 0 H GLU A 47 -9.740 -9.589 5.817 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.850 -9.374 8.048 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.874 -12.229 7.696 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.402 -11.599 9.244 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.239 -11.277 6.897 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.055 -12.880 7.582 1.00 0.00 H new ATOM 711 N VAL A 48 -7.060 -8.766 7.867 1.00 0.00 N ATOM 712 CA VAL A 48 -5.790 -8.325 8.428 1.00 0.00 C ATOM 713 C VAL A 48 -5.925 -6.956 9.085 1.00 0.00 C ATOM 714 O VAL A 48 -7.018 -6.395 9.156 1.00 0.00 O ATOM 715 CB VAL A 48 -4.692 -8.257 7.349 1.00 0.00 C ATOM 716 CG1 VAL A 48 -4.431 -9.638 6.766 1.00 0.00 C ATOM 717 CG2 VAL A 48 -5.080 -7.272 6.257 1.00 0.00 C ATOM 0 H VAL A 48 -7.338 -8.276 7.016 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.505 -9.060 9.180 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.771 -7.905 7.813 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.653 -9.571 6.006 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.107 -10.312 7.559 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.346 -10.022 6.315 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.294 -7.236 5.503 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.013 -7.592 5.793 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.212 -6.281 6.691 1.00 0.00 H new ATOM 727 N ASN A 49 -4.807 -6.423 9.566 1.00 0.00 N ATOM 728 CA ASN A 49 -4.800 -5.119 10.219 1.00 0.00 C ATOM 729 C ASN A 49 -3.679 -4.241 9.670 1.00 0.00 C ATOM 730 O ASN A 49 -2.499 -4.564 9.810 1.00 0.00 O ATOM 731 CB ASN A 49 -4.641 -5.283 11.731 1.00 0.00 C ATOM 732 CG ASN A 49 -5.861 -5.911 12.377 1.00 0.00 C ATOM 733 OD1 ASN A 49 -6.931 -5.979 11.773 1.00 0.00 O ATOM 734 ND2 ASN A 49 -5.705 -6.374 13.611 1.00 0.00 N ATOM 0 H ASN A 49 -3.894 -6.874 9.516 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.753 -4.632 10.012 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.766 -5.900 11.937 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.456 -4.308 12.182 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.491 -6.807 14.096 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.799 -6.297 14.074 1.00 0.00 H new ATOM 741 N ILE A 50 -4.056 -3.130 9.046 1.00 0.00 N ATOM 742 CA ILE A 50 -3.082 -2.205 8.478 1.00 0.00 C ATOM 743 C ILE A 50 -2.915 -0.974 9.361 1.00 0.00 C ATOM 744 O ILE A 50 -3.894 -0.347 9.764 1.00 0.00 O ATOM 745 CB ILE A 50 -3.492 -1.757 7.063 1.00 0.00 C ATOM 746 CG1 ILE A 50 -3.539 -2.959 6.117 1.00 0.00 C ATOM 747 CG2 ILE A 50 -2.526 -0.703 6.542 1.00 0.00 C ATOM 748 CD1 ILE A 50 -4.171 -2.649 4.778 1.00 0.00 C ATOM 0 H ILE A 50 -5.028 -2.848 8.921 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.134 -2.739 8.421 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.488 -1.318 7.111 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.525 -3.324 5.955 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.095 -3.765 6.594 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.828 -0.396 5.541 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.538 0.161 7.206 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.519 -1.119 6.505 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.171 -3.546 4.159 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.197 -2.313 4.929 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.602 -1.864 4.280 1.00 0.00 H new ATOM 760 N HIS A 51 -1.665 -0.631 9.658 1.00 0.00 N ATOM 761 CA HIS A 51 -1.367 0.528 10.491 1.00 0.00 C ATOM 762 C HIS A 51 -0.448 1.501 9.760 1.00 0.00 C ATOM 763 O HIS A 51 0.624 1.123 9.289 1.00 0.00 O ATOM 764 CB HIS A 51 -0.719 0.085 11.803 1.00 0.00 C ATOM 765 CG HIS A 51 -1.707 -0.212 12.889 1.00 0.00 C ATOM 766 ND1 HIS A 51 -1.469 0.057 14.220 1.00 0.00 N ATOM 767 CD2 HIS A 51 -2.945 -0.760 12.834 1.00 0.00 C ATOM 768 CE1 HIS A 51 -2.515 -0.312 14.936 1.00 0.00 C ATOM 769 NE2 HIS A 51 -3.425 -0.810 14.119 1.00 0.00 N ATOM 0 H HIS A 51 -0.842 -1.140 9.334 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.305 1.038 10.711 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -0.116 -0.804 11.619 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -0.040 0.866 12.145 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.458 -1.095 11.945 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -2.610 -0.222 16.008 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.337 -1.173 14.398 1.00 0.00 H new ATOM 777 N VAL A 52 -0.876 2.756 9.668 1.00 0.00 N ATOM 778 CA VAL A 52 -0.093 3.785 8.994 1.00 0.00 C ATOM 779 C VAL A 52 0.517 4.758 9.997 1.00 0.00 C ATOM 780 O VAL A 52 -0.121 5.168 10.969 1.00 0.00 O ATOM 781 CB VAL A 52 -0.949 4.573 7.986 1.00 0.00 C ATOM 782 CG1 VAL A 52 -0.134 5.689 7.350 1.00 0.00 C ATOM 783 CG2 VAL A 52 -1.513 3.642 6.924 1.00 0.00 C ATOM 0 H VAL A 52 -1.762 3.085 10.052 1.00 0.00 H new ATOM 0 HA VAL A 52 0.706 3.273 8.458 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.784 5.025 8.521 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.756 6.235 6.640 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.216 6.371 8.125 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.723 5.262 6.828 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.115 4.216 6.220 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.694 3.159 6.391 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.135 2.883 7.399 1.00 0.00 H new ATOM 793 N PRO A 53 1.781 5.138 9.761 1.00 0.00 N ATOM 794 CA PRO A 53 2.504 6.069 10.633 1.00 0.00 C ATOM 795 C PRO A 53 1.956 7.489 10.545 1.00 0.00 C ATOM 796 O PRO A 53 1.742 8.016 9.453 1.00 0.00 O ATOM 797 CB PRO A 53 3.937 6.014 10.098 1.00 0.00 C ATOM 798 CG PRO A 53 3.795 5.603 8.673 1.00 0.00 C ATOM 799 CD PRO A 53 2.601 4.690 8.623 1.00 0.00 C ATOM 0 HA PRO A 53 2.416 5.796 11.685 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.429 6.983 10.183 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.541 5.300 10.658 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.650 6.470 8.029 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.692 5.092 8.323 1.00 0.00 H new ATOM 0 HD2 PRO A 53 2.064 4.783 7.679 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.891 3.644 8.723 1.00 0.00 H new ATOM 807 N ALA A 54 1.732 8.104 11.701 1.00 0.00 N ATOM 808 CA ALA A 54 1.212 9.465 11.755 1.00 0.00 C ATOM 809 C ALA A 54 2.087 10.419 10.949 1.00 0.00 C ATOM 810 O ALA A 54 3.208 10.092 10.558 1.00 0.00 O ATOM 811 CB ALA A 54 1.107 9.933 13.199 1.00 0.00 C ATOM 0 H ALA A 54 1.902 7.681 12.614 1.00 0.00 H new ATOM 0 HA ALA A 54 0.216 9.465 11.312 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.717 10.951 13.224 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.434 9.273 13.747 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.094 9.911 13.661 1.00 0.00 H new ATOM 817 N PRO A 55 1.565 11.629 10.694 1.00 0.00 N ATOM 818 CA PRO A 55 2.283 12.655 9.932 1.00 0.00 C ATOM 819 C PRO A 55 3.472 13.221 10.700 1.00 0.00 C ATOM 820 O PRO A 55 4.375 13.817 10.112 1.00 0.00 O ATOM 821 CB PRO A 55 1.224 13.738 9.710 1.00 0.00 C ATOM 822 CG PRO A 55 0.261 13.561 10.834 1.00 0.00 C ATOM 823 CD PRO A 55 0.235 12.087 11.129 1.00 0.00 C ATOM 0 HA PRO A 55 2.705 12.257 9.009 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.667 14.734 9.721 1.00 0.00 H new ATOM 0 HB3 PRO A 55 0.732 13.619 8.745 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.575 14.129 11.710 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.730 13.921 10.559 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.069 11.892 12.189 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.562 11.582 10.584 1.00 0.00 H new ATOM 831 N GLU A 56 3.466 13.033 12.016 1.00 0.00 N ATOM 832 CA GLU A 56 4.545 13.526 12.863 1.00 0.00 C ATOM 833 C GLU A 56 5.767 12.617 12.773 1.00 0.00 C ATOM 834 O GLU A 56 6.902 13.066 12.934 1.00 0.00 O ATOM 835 CB GLU A 56 4.076 13.626 14.316 1.00 0.00 C ATOM 836 CG GLU A 56 3.721 12.285 14.936 1.00 0.00 C ATOM 837 CD GLU A 56 3.741 12.318 16.452 1.00 0.00 C ATOM 838 OE1 GLU A 56 4.845 12.235 17.033 1.00 0.00 O ATOM 839 OE2 GLU A 56 2.655 12.428 17.058 1.00 0.00 O ATOM 0 H GLU A 56 2.726 12.543 12.518 1.00 0.00 H new ATOM 0 HA GLU A 56 4.826 14.518 12.509 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.860 14.095 14.910 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.206 14.280 14.364 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.730 11.983 14.596 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.423 11.529 14.584 1.00 0.00 H new ATOM 846 N LEU A 57 5.526 11.335 12.516 1.00 0.00 N ATOM 847 CA LEU A 57 6.606 10.362 12.404 1.00 0.00 C ATOM 848 C LEU A 57 7.356 10.529 11.086 1.00 0.00 C ATOM 849 O LEU A 57 8.520 10.149 10.972 1.00 0.00 O ATOM 850 CB LEU A 57 6.051 8.941 12.512 1.00 0.00 C ATOM 851 CG LEU A 57 5.398 8.574 13.846 1.00 0.00 C ATOM 852 CD1 LEU A 57 4.634 7.265 13.725 1.00 0.00 C ATOM 853 CD2 LEU A 57 6.447 8.481 14.944 1.00 0.00 C ATOM 0 H LEU A 57 4.593 10.946 12.382 1.00 0.00 H new ATOM 0 HA LEU A 57 7.305 10.536 13.222 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.316 8.798 11.719 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.864 8.240 12.323 1.00 0.00 H new ATOM 0 HG LEU A 57 4.691 9.360 14.111 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.177 7.021 14.684 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.857 7.366 12.967 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.320 6.469 13.437 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.965 8.219 15.886 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.178 7.715 14.685 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.950 9.442 15.049 1.00 0.00 H new ATOM 865 N GLN A 58 6.679 11.100 10.094 1.00 0.00 N ATOM 866 CA GLN A 58 7.282 11.319 8.785 1.00 0.00 C ATOM 867 C GLN A 58 7.919 10.036 8.258 1.00 0.00 C ATOM 868 O GLN A 58 9.091 10.023 7.884 1.00 0.00 O ATOM 869 CB GLN A 58 8.331 12.429 8.862 1.00 0.00 C ATOM 870 CG GLN A 58 7.794 13.737 9.419 1.00 0.00 C ATOM 871 CD GLN A 58 8.717 14.909 9.151 1.00 0.00 C ATOM 872 OE1 GLN A 58 9.227 15.072 8.042 1.00 0.00 O ATOM 873 NE2 GLN A 58 8.938 15.733 10.168 1.00 0.00 N ATOM 0 H GLN A 58 5.713 11.419 10.172 1.00 0.00 H new ATOM 0 HA GLN A 58 6.494 11.622 8.096 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.160 12.092 9.485 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.734 12.607 7.865 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.818 13.941 8.980 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.645 13.636 10.494 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.495 15.560 11.070 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.551 16.539 10.047 1.00 0.00 H new ATOM 882 N SER A 59 7.139 8.961 8.234 1.00 0.00 N ATOM 883 CA SER A 59 7.627 7.672 7.757 1.00 0.00 C ATOM 884 C SER A 59 6.792 7.176 6.581 1.00 0.00 C ATOM 885 O SER A 59 5.580 7.385 6.534 1.00 0.00 O ATOM 886 CB SER A 59 7.598 6.643 8.888 1.00 0.00 C ATOM 887 OG SER A 59 8.598 5.655 8.703 1.00 0.00 O ATOM 0 H SER A 59 6.166 8.956 8.539 1.00 0.00 H new ATOM 0 HA SER A 59 8.655 7.802 7.420 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.750 7.144 9.844 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.617 6.169 8.928 1.00 0.00 H new ATOM 0 HG SER A 59 8.560 5.010 9.440 1.00 0.00 H new ATOM 893 N ASP A 60 7.450 6.517 5.633 1.00 0.00 N ATOM 894 CA ASP A 60 6.770 5.990 4.455 1.00 0.00 C ATOM 895 C ASP A 60 6.668 4.469 4.524 1.00 0.00 C ATOM 896 O ASP A 60 6.326 3.816 3.537 1.00 0.00 O ATOM 897 CB ASP A 60 7.508 6.408 3.184 1.00 0.00 C ATOM 898 CG ASP A 60 8.996 6.591 3.411 1.00 0.00 C ATOM 899 OD1 ASP A 60 9.665 5.606 3.786 1.00 0.00 O ATOM 900 OD2 ASP A 60 9.490 7.720 3.214 1.00 0.00 O ATOM 0 H ASP A 60 8.453 6.335 5.657 1.00 0.00 H new ATOM 0 HA ASP A 60 5.762 6.404 4.431 1.00 0.00 H new ATOM 0 HB2 ASP A 60 7.351 5.654 2.412 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.083 7.340 2.811 1.00 0.00 H new ATOM 905 N ILE A 61 6.967 3.913 5.692 1.00 0.00 N ATOM 906 CA ILE A 61 6.908 2.470 5.888 1.00 0.00 C ATOM 907 C ILE A 61 5.651 2.069 6.653 1.00 0.00 C ATOM 908 O ILE A 61 5.531 2.330 7.850 1.00 0.00 O ATOM 909 CB ILE A 61 8.145 1.954 6.649 1.00 0.00 C ATOM 910 CG1 ILE A 61 9.398 2.706 6.198 1.00 0.00 C ATOM 911 CG2 ILE A 61 8.312 0.457 6.435 1.00 0.00 C ATOM 912 CD1 ILE A 61 9.760 2.463 4.750 1.00 0.00 C ATOM 0 H ILE A 61 7.253 4.440 6.518 1.00 0.00 H new ATOM 0 HA ILE A 61 6.886 2.018 4.896 1.00 0.00 H new ATOM 0 HB ILE A 61 8.000 2.134 7.714 1.00 0.00 H new ATOM 0 HG12 ILE A 61 9.246 3.774 6.352 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.236 2.410 6.828 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.190 0.107 6.979 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.427 -0.064 6.801 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.439 0.253 5.372 1.00 0.00 H new ATOM 0 HD11 ILE A 61 10.658 3.028 4.500 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.945 1.400 4.595 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.939 2.786 4.110 1.00 0.00 H new ATOM 924 N ILE A 62 4.718 1.432 5.953 1.00 0.00 N ATOM 925 CA ILE A 62 3.471 0.991 6.567 1.00 0.00 C ATOM 926 C ILE A 62 3.614 -0.404 7.164 1.00 0.00 C ATOM 927 O ILE A 62 4.259 -1.276 6.582 1.00 0.00 O ATOM 928 CB ILE A 62 2.315 0.987 5.550 1.00 0.00 C ATOM 929 CG1 ILE A 62 1.893 2.419 5.216 1.00 0.00 C ATOM 930 CG2 ILE A 62 1.135 0.194 6.094 1.00 0.00 C ATOM 931 CD1 ILE A 62 0.939 2.511 4.047 1.00 0.00 C ATOM 0 H ILE A 62 4.802 1.210 4.961 1.00 0.00 H new ATOM 0 HA ILE A 62 3.243 1.701 7.362 1.00 0.00 H new ATOM 0 HB ILE A 62 2.659 0.508 4.633 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.424 2.865 6.093 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.783 3.009 4.996 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.325 0.200 5.364 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.444 -0.834 6.285 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.789 0.647 7.023 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.683 3.555 3.868 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.412 2.095 3.157 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.033 1.949 4.272 1.00 0.00 H new ATOM 943 N ALA A 63 3.008 -0.609 8.328 1.00 0.00 N ATOM 944 CA ALA A 63 3.065 -1.900 9.002 1.00 0.00 C ATOM 945 C ALA A 63 1.746 -2.652 8.860 1.00 0.00 C ATOM 946 O ALA A 63 0.677 -2.110 9.142 1.00 0.00 O ATOM 947 CB ALA A 63 3.411 -1.713 10.472 1.00 0.00 C ATOM 0 H ALA A 63 2.472 0.103 8.824 1.00 0.00 H new ATOM 0 HA ALA A 63 3.846 -2.495 8.528 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.450 -2.685 10.963 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.381 -1.224 10.558 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.650 -1.096 10.949 1.00 0.00 H new ATOM 953 N ILE A 64 1.829 -3.904 8.419 1.00 0.00 N ATOM 954 CA ILE A 64 0.641 -4.729 8.239 1.00 0.00 C ATOM 955 C ILE A 64 0.710 -5.985 9.101 1.00 0.00 C ATOM 956 O ILE A 64 1.614 -6.807 8.950 1.00 0.00 O ATOM 957 CB ILE A 64 0.460 -5.140 6.766 1.00 0.00 C ATOM 958 CG1 ILE A 64 0.410 -3.900 5.870 1.00 0.00 C ATOM 959 CG2 ILE A 64 -0.804 -5.971 6.600 1.00 0.00 C ATOM 960 CD1 ILE A 64 0.452 -4.221 4.393 1.00 0.00 C ATOM 0 H ILE A 64 2.706 -4.368 8.180 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.213 -4.126 8.547 1.00 0.00 H new ATOM 0 HB ILE A 64 1.314 -5.748 6.466 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.501 -3.342 6.087 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.249 -3.249 6.116 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.919 -6.254 5.554 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.732 -6.869 7.213 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.668 -5.386 6.914 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.413 -3.296 3.818 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.375 -4.753 4.162 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.402 -4.846 4.132 1.00 0.00 H new ATOM 972 N THR A 65 -0.253 -6.129 10.006 1.00 0.00 N ATOM 973 CA THR A 65 -0.303 -7.286 10.892 1.00 0.00 C ATOM 974 C THR A 65 -1.239 -8.358 10.344 1.00 0.00 C ATOM 975 O THR A 65 -2.337 -8.059 9.878 1.00 0.00 O ATOM 976 CB THR A 65 -0.769 -6.889 12.306 1.00 0.00 C ATOM 977 OG1 THR A 65 0.061 -5.840 12.818 1.00 0.00 O ATOM 978 CG2 THR A 65 -0.721 -8.084 13.246 1.00 0.00 C ATOM 0 H THR A 65 -1.009 -5.459 10.145 1.00 0.00 H new ATOM 0 HA THR A 65 0.709 -7.686 10.949 1.00 0.00 H new ATOM 0 HB THR A 65 -1.799 -6.538 12.241 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.242 -5.592 13.716 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.054 -7.780 14.238 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.375 -8.870 12.869 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.301 -8.459 13.306 1.00 0.00 H new ATOM 986 N GLY A 66 -0.795 -9.610 10.405 1.00 0.00 N ATOM 987 CA GLY A 66 -1.605 -10.708 9.911 1.00 0.00 C ATOM 988 C GLY A 66 -0.795 -11.970 9.686 1.00 0.00 C ATOM 989 O GLY A 66 0.431 -11.957 9.794 1.00 0.00 O ATOM 0 H GLY A 66 0.110 -9.883 10.787 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.404 -10.915 10.623 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.080 -10.413 8.975 1.00 0.00 H new ATOM 993 N LEU A 67 -1.483 -13.063 9.374 1.00 0.00 N ATOM 994 CA LEU A 67 -0.821 -14.340 9.134 1.00 0.00 C ATOM 995 C LEU A 67 0.045 -14.278 7.880 1.00 0.00 C ATOM 996 O LEU A 67 -0.338 -13.674 6.878 1.00 0.00 O ATOM 997 CB LEU A 67 -1.856 -15.457 8.998 1.00 0.00 C ATOM 998 CG LEU A 67 -2.589 -15.853 10.281 1.00 0.00 C ATOM 999 CD1 LEU A 67 -3.699 -16.847 9.976 1.00 0.00 C ATOM 1000 CD2 LEU A 67 -1.613 -16.435 11.294 1.00 0.00 C ATOM 0 H LEU A 67 -2.498 -13.090 9.281 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.177 -14.552 9.988 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.597 -15.150 8.260 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.357 -16.341 8.601 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.039 -14.958 10.711 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.209 -17.117 10.900 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.412 -16.396 9.286 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.272 -17.741 9.522 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.151 -16.711 12.201 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.135 -17.319 10.872 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.853 -15.692 11.535 1.00 0.00 H new ATOM 1012 N ALA A 68 1.213 -14.909 7.940 1.00 0.00 N ATOM 1013 CA ALA A 68 2.130 -14.929 6.807 1.00 0.00 C ATOM 1014 C ALA A 68 1.371 -15.014 5.488 1.00 0.00 C ATOM 1015 O ALA A 68 1.723 -14.347 4.515 1.00 0.00 O ATOM 1016 CB ALA A 68 3.102 -16.093 6.936 1.00 0.00 C ATOM 0 H ALA A 68 1.547 -15.413 8.761 1.00 0.00 H new ATOM 0 HA ALA A 68 2.694 -13.997 6.811 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.781 -16.096 6.083 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.676 -15.987 7.857 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.546 -17.030 6.961 1.00 0.00 H new ATOM 1022 N ALA A 69 0.330 -15.839 5.462 1.00 0.00 N ATOM 1023 CA ALA A 69 -0.479 -16.009 4.261 1.00 0.00 C ATOM 1024 C ALA A 69 -1.216 -14.722 3.908 1.00 0.00 C ATOM 1025 O ALA A 69 -1.119 -14.229 2.785 1.00 0.00 O ATOM 1026 CB ALA A 69 -1.468 -17.151 4.449 1.00 0.00 C ATOM 0 H ALA A 69 0.027 -16.400 6.258 1.00 0.00 H new ATOM 0 HA ALA A 69 0.189 -16.252 3.435 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.066 -17.267 3.545 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.924 -18.075 4.646 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.123 -16.930 5.291 1.00 0.00 H new ATOM 1032 N ASN A 70 -1.952 -14.183 4.873 1.00 0.00 N ATOM 1033 CA ASN A 70 -2.707 -12.953 4.663 1.00 0.00 C ATOM 1034 C ASN A 70 -1.780 -11.807 4.270 1.00 0.00 C ATOM 1035 O ASN A 70 -2.060 -11.062 3.329 1.00 0.00 O ATOM 1036 CB ASN A 70 -3.484 -12.583 5.929 1.00 0.00 C ATOM 1037 CG ASN A 70 -4.279 -13.751 6.481 1.00 0.00 C ATOM 1038 OD1 ASN A 70 -4.371 -14.806 5.853 1.00 0.00 O ATOM 1039 ND2 ASN A 70 -4.857 -13.568 7.662 1.00 0.00 N ATOM 0 H ASN A 70 -2.042 -14.578 5.809 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.412 -13.124 3.849 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -2.788 -12.229 6.689 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.161 -11.758 5.708 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.404 -14.319 8.084 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.754 -12.677 8.147 1.00 0.00 H new ATOM 1046 N LEU A 71 -0.675 -11.672 4.995 1.00 0.00 N ATOM 1047 CA LEU A 71 0.295 -10.617 4.722 1.00 0.00 C ATOM 1048 C LEU A 71 0.641 -10.566 3.238 1.00 0.00 C ATOM 1049 O LEU A 71 0.727 -9.490 2.646 1.00 0.00 O ATOM 1050 CB LEU A 71 1.565 -10.839 5.547 1.00 0.00 C ATOM 1051 CG LEU A 71 1.369 -10.979 7.056 1.00 0.00 C ATOM 1052 CD1 LEU A 71 2.652 -11.451 7.719 1.00 0.00 C ATOM 1053 CD2 LEU A 71 0.908 -9.660 7.660 1.00 0.00 C ATOM 0 H LEU A 71 -0.428 -12.280 5.776 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.152 -9.664 5.004 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.060 -11.738 5.180 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.243 -10.005 5.365 1.00 0.00 H new ATOM 0 HG LEU A 71 0.596 -11.726 7.234 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.493 -11.545 8.793 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.939 -12.419 7.309 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.446 -10.728 7.531 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.774 -9.779 8.735 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.658 -8.892 7.471 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.038 -9.363 7.207 1.00 0.00 H new ATOM 1065 N ASP A 72 0.837 -11.737 2.641 1.00 0.00 N ATOM 1066 CA ASP A 72 1.170 -11.827 1.224 1.00 0.00 C ATOM 1067 C ASP A 72 0.065 -11.221 0.366 1.00 0.00 C ATOM 1068 O ASP A 72 0.311 -10.320 -0.436 1.00 0.00 O ATOM 1069 CB ASP A 72 1.402 -13.285 0.825 1.00 0.00 C ATOM 1070 CG ASP A 72 2.847 -13.709 0.992 1.00 0.00 C ATOM 1071 OD1 ASP A 72 3.239 -14.048 2.129 1.00 0.00 O ATOM 1072 OD2 ASP A 72 3.588 -13.703 -0.013 1.00 0.00 O ATOM 0 H ASP A 72 0.771 -12.637 3.117 1.00 0.00 H new ATOM 0 HA ASP A 72 2.087 -11.262 1.055 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.765 -13.930 1.431 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.103 -13.426 -0.214 1.00 0.00 H new ATOM 1077 N ARG A 73 -1.154 -11.722 0.540 1.00 0.00 N ATOM 1078 CA ARG A 73 -2.297 -11.231 -0.221 1.00 0.00 C ATOM 1079 C ARG A 73 -2.502 -9.736 0.009 1.00 0.00 C ATOM 1080 O ARG A 73 -2.505 -8.948 -0.937 1.00 0.00 O ATOM 1081 CB ARG A 73 -3.563 -11.995 0.171 1.00 0.00 C ATOM 1082 CG ARG A 73 -3.297 -13.418 0.635 1.00 0.00 C ATOM 1083 CD ARG A 73 -4.497 -14.319 0.387 1.00 0.00 C ATOM 1084 NE ARG A 73 -4.154 -15.733 0.512 1.00 0.00 N ATOM 1085 CZ ARG A 73 -5.056 -16.695 0.672 1.00 0.00 C ATOM 1086 NH1 ARG A 73 -6.347 -16.397 0.727 1.00 0.00 N ATOM 1087 NH2 ARG A 73 -4.667 -17.959 0.780 1.00 0.00 N ATOM 0 H ARG A 73 -1.375 -12.467 1.201 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.094 -11.394 -1.279 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.073 -11.452 0.967 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.240 -12.021 -0.683 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.428 -13.816 0.112 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.056 -13.416 1.698 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.287 -14.074 1.096 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.893 -14.129 -0.610 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.169 -15.996 0.474 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.650 -15.426 0.646 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.037 -17.138 0.850 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.675 -18.192 0.740 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.360 -18.697 0.903 1.00 0.00 H new ATOM 1101 N ALA A 74 -2.671 -9.354 1.271 1.00 0.00 N ATOM 1102 CA ALA A 74 -2.875 -7.955 1.624 1.00 0.00 C ATOM 1103 C ALA A 74 -1.747 -7.082 1.083 1.00 0.00 C ATOM 1104 O ALA A 74 -1.980 -6.167 0.293 1.00 0.00 O ATOM 1105 CB ALA A 74 -2.985 -7.801 3.133 1.00 0.00 C ATOM 0 H ALA A 74 -2.671 -9.994 2.065 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.808 -7.624 1.167 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.137 -6.751 3.381 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.829 -8.386 3.498 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.068 -8.156 3.603 1.00 0.00 H new ATOM 1111 N LYS A 75 -0.524 -7.372 1.513 1.00 0.00 N ATOM 1112 CA LYS A 75 0.642 -6.614 1.072 1.00 0.00 C ATOM 1113 C LYS A 75 0.599 -6.379 -0.434 1.00 0.00 C ATOM 1114 O LYS A 75 0.862 -5.273 -0.907 1.00 0.00 O ATOM 1115 CB LYS A 75 1.928 -7.354 1.449 1.00 0.00 C ATOM 1116 CG LYS A 75 3.189 -6.538 1.216 1.00 0.00 C ATOM 1117 CD LYS A 75 4.440 -7.366 1.455 1.00 0.00 C ATOM 1118 CE LYS A 75 5.614 -6.850 0.637 1.00 0.00 C ATOM 1119 NZ LYS A 75 6.915 -7.363 1.149 1.00 0.00 N ATOM 0 H LYS A 75 -0.314 -8.126 2.166 1.00 0.00 H new ATOM 0 HA LYS A 75 0.628 -5.646 1.573 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.879 -7.639 2.500 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.990 -8.276 0.871 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.193 -6.157 0.195 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.192 -5.673 1.879 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.696 -7.344 2.514 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.244 -8.407 1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.490 -7.148 -0.404 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.620 -5.760 0.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.690 -6.989 0.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.045 -7.057 2.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.920 -8.402 1.106 1.00 0.00 H new ATOM 1133 N ALA A 76 0.267 -7.425 -1.183 1.00 0.00 N ATOM 1134 CA ALA A 76 0.187 -7.331 -2.635 1.00 0.00 C ATOM 1135 C ALA A 76 -0.820 -6.269 -3.062 1.00 0.00 C ATOM 1136 O ALA A 76 -0.580 -5.513 -4.002 1.00 0.00 O ATOM 1137 CB ALA A 76 -0.182 -8.681 -3.232 1.00 0.00 C ATOM 0 H ALA A 76 0.049 -8.348 -0.808 1.00 0.00 H new ATOM 0 HA ALA A 76 1.167 -7.036 -3.009 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.238 -8.596 -4.317 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.577 -9.417 -2.965 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.149 -8.999 -2.842 1.00 0.00 H new ATOM 1143 N GLY A 77 -1.951 -6.218 -2.363 1.00 0.00 N ATOM 1144 CA GLY A 77 -2.978 -5.245 -2.686 1.00 0.00 C ATOM 1145 C GLY A 77 -2.501 -3.817 -2.510 1.00 0.00 C ATOM 1146 O GLY A 77 -2.817 -2.944 -3.319 1.00 0.00 O ATOM 0 H GLY A 77 -2.173 -6.833 -1.580 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.302 -5.392 -3.716 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.848 -5.415 -2.051 1.00 0.00 H new ATOM 1150 N LEU A 78 -1.738 -3.577 -1.449 1.00 0.00 N ATOM 1151 CA LEU A 78 -1.217 -2.243 -1.167 1.00 0.00 C ATOM 1152 C LEU A 78 -0.169 -1.839 -2.200 1.00 0.00 C ATOM 1153 O LEU A 78 -0.330 -0.843 -2.906 1.00 0.00 O ATOM 1154 CB LEU A 78 -0.611 -2.197 0.236 1.00 0.00 C ATOM 1155 CG LEU A 78 -0.375 -0.804 0.820 1.00 0.00 C ATOM 1156 CD1 LEU A 78 -1.698 -0.092 1.053 1.00 0.00 C ATOM 1157 CD2 LEU A 78 0.419 -0.895 2.115 1.00 0.00 C ATOM 0 H LEU A 78 -1.466 -4.288 -0.770 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.045 -1.537 -1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.267 -2.746 0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.341 -2.727 0.216 1.00 0.00 H new ATOM 0 HG LEU A 78 0.205 -0.224 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.510 0.898 1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.230 0.007 0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.304 -0.670 1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.577 0.106 2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.134 -1.493 2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.383 -1.364 1.918 1.00 0.00 H new ATOM 1169 N LEU A 79 0.903 -2.620 -2.284 1.00 0.00 N ATOM 1170 CA LEU A 79 1.977 -2.345 -3.233 1.00 0.00 C ATOM 1171 C LEU A 79 1.414 -2.002 -4.608 1.00 0.00 C ATOM 1172 O LEU A 79 1.838 -1.035 -5.240 1.00 0.00 O ATOM 1173 CB LEU A 79 2.913 -3.550 -3.337 1.00 0.00 C ATOM 1174 CG LEU A 79 3.793 -3.824 -2.117 1.00 0.00 C ATOM 1175 CD1 LEU A 79 4.483 -5.172 -2.250 1.00 0.00 C ATOM 1176 CD2 LEU A 79 4.817 -2.714 -1.938 1.00 0.00 C ATOM 0 H LEU A 79 1.052 -3.448 -1.707 1.00 0.00 H new ATOM 0 HA LEU A 79 2.541 -1.486 -2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.310 -4.437 -3.532 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.560 -3.408 -4.202 1.00 0.00 H new ATOM 0 HG LEU A 79 3.157 -3.850 -1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.105 -5.350 -1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.733 -5.959 -2.329 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.107 -5.175 -3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.434 -2.926 -1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.449 -2.656 -2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.302 -1.764 -1.796 1.00 0.00 H new ATOM 1188 N GLU A 80 0.455 -2.801 -5.065 1.00 0.00 N ATOM 1189 CA GLU A 80 -0.167 -2.581 -6.365 1.00 0.00 C ATOM 1190 C GLU A 80 -0.968 -1.282 -6.373 1.00 0.00 C ATOM 1191 O GLU A 80 -0.952 -0.536 -7.353 1.00 0.00 O ATOM 1192 CB GLU A 80 -1.078 -3.756 -6.725 1.00 0.00 C ATOM 1193 CG GLU A 80 -0.330 -5.059 -6.953 1.00 0.00 C ATOM 1194 CD GLU A 80 0.442 -5.068 -8.259 1.00 0.00 C ATOM 1195 OE1 GLU A 80 1.548 -4.490 -8.297 1.00 0.00 O ATOM 1196 OE2 GLU A 80 -0.060 -5.654 -9.240 1.00 0.00 O ATOM 0 H GLU A 80 0.092 -3.606 -4.554 1.00 0.00 H new ATOM 0 HA GLU A 80 0.626 -2.503 -7.109 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.805 -3.899 -5.926 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.639 -3.507 -7.625 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.360 -5.227 -6.126 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.040 -5.886 -6.949 1.00 0.00 H new ATOM 1203 N ARG A 81 -1.667 -1.018 -5.274 1.00 0.00 N ATOM 1204 CA ARG A 81 -2.474 0.190 -5.154 1.00 0.00 C ATOM 1205 C ARG A 81 -1.618 1.438 -5.346 1.00 0.00 C ATOM 1206 O ARG A 81 -2.054 2.415 -5.956 1.00 0.00 O ATOM 1207 CB ARG A 81 -3.164 0.235 -3.789 1.00 0.00 C ATOM 1208 CG ARG A 81 -4.496 0.966 -3.803 1.00 0.00 C ATOM 1209 CD ARG A 81 -5.643 0.028 -4.146 1.00 0.00 C ATOM 1210 NE ARG A 81 -6.929 0.719 -4.164 1.00 0.00 N ATOM 1211 CZ ARG A 81 -8.097 0.101 -4.029 1.00 0.00 C ATOM 1212 NH1 ARG A 81 -8.140 -1.213 -3.865 1.00 0.00 N ATOM 1213 NH2 ARG A 81 -9.225 0.801 -4.056 1.00 0.00 N ATOM 0 H ARG A 81 -1.691 -1.624 -4.454 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.233 0.168 -5.936 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.323 -0.785 -3.438 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.501 0.719 -3.072 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.674 1.419 -2.828 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.459 1.778 -4.529 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.461 -0.425 -5.121 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.678 -0.783 -3.419 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.931 1.732 -4.287 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.275 -1.753 -3.842 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -9.038 -1.685 -3.762 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.194 1.813 -4.180 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.122 0.327 -3.952 1.00 0.00 H new ATOM 1227 N VAL A 82 -0.399 1.399 -4.819 1.00 0.00 N ATOM 1228 CA VAL A 82 0.519 2.526 -4.932 1.00 0.00 C ATOM 1229 C VAL A 82 0.990 2.710 -6.370 1.00 0.00 C ATOM 1230 O VAL A 82 0.833 3.782 -6.955 1.00 0.00 O ATOM 1231 CB VAL A 82 1.748 2.344 -4.021 1.00 0.00 C ATOM 1232 CG1 VAL A 82 2.730 3.489 -4.212 1.00 0.00 C ATOM 1233 CG2 VAL A 82 1.319 2.235 -2.565 1.00 0.00 C ATOM 0 H VAL A 82 -0.024 0.599 -4.309 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.030 3.413 -4.616 1.00 0.00 H new ATOM 0 HB VAL A 82 2.251 1.418 -4.299 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.591 3.342 -3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.061 3.515 -5.250 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.243 4.432 -3.963 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.199 2.107 -1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.792 3.143 -2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.658 1.377 -2.444 1.00 0.00 H new ATOM 1243 N LYS A 83 1.567 1.655 -6.937 1.00 0.00 N ATOM 1244 CA LYS A 83 2.061 1.698 -8.309 1.00 0.00 C ATOM 1245 C LYS A 83 0.985 2.218 -9.257 1.00 0.00 C ATOM 1246 O LYS A 83 1.285 2.905 -10.233 1.00 0.00 O ATOM 1247 CB LYS A 83 2.517 0.307 -8.751 1.00 0.00 C ATOM 1248 CG LYS A 83 3.584 -0.297 -7.855 1.00 0.00 C ATOM 1249 CD LYS A 83 3.520 -1.815 -7.856 1.00 0.00 C ATOM 1250 CE LYS A 83 3.897 -2.388 -9.214 1.00 0.00 C ATOM 1251 NZ LYS A 83 2.710 -2.540 -10.101 1.00 0.00 N ATOM 0 H LYS A 83 1.704 0.760 -6.468 1.00 0.00 H new ATOM 0 HA LYS A 83 2.911 2.380 -8.343 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.654 -0.359 -8.774 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.901 0.366 -9.769 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.569 0.027 -8.192 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.458 0.073 -6.837 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.193 -2.209 -7.094 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.513 -2.138 -7.590 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.627 -1.736 -9.693 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.376 -3.358 -9.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.962 -3.128 -10.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.938 -2.995 -9.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.400 -1.603 -10.429 1.00 0.00 H new ATOM 1265 N GLU A 84 -0.269 1.885 -8.964 1.00 0.00 N ATOM 1266 CA GLU A 84 -1.388 2.318 -9.792 1.00 0.00 C ATOM 1267 C GLU A 84 -1.806 3.743 -9.438 1.00 0.00 C ATOM 1268 O GLU A 84 -2.102 4.551 -10.318 1.00 0.00 O ATOM 1269 CB GLU A 84 -2.576 1.369 -9.621 1.00 0.00 C ATOM 1270 CG GLU A 84 -2.566 0.201 -10.593 1.00 0.00 C ATOM 1271 CD GLU A 84 -1.587 -0.884 -10.192 1.00 0.00 C ATOM 1272 OE1 GLU A 84 -0.365 -0.649 -10.291 1.00 0.00 O ATOM 1273 OE2 GLU A 84 -2.044 -1.970 -9.776 1.00 0.00 O ATOM 0 H GLU A 84 -0.535 1.317 -8.160 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.065 2.300 -10.833 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.578 0.983 -8.602 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.501 1.931 -9.751 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.568 -0.224 -10.655 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.312 0.564 -11.589 1.00 0.00 H new ATOM 1280 N LEU A 85 -1.828 4.042 -8.143 1.00 0.00 N ATOM 1281 CA LEU A 85 -2.211 5.369 -7.671 1.00 0.00 C ATOM 1282 C LEU A 85 -1.247 6.430 -8.191 1.00 0.00 C ATOM 1283 O LEU A 85 -1.658 7.395 -8.833 1.00 0.00 O ATOM 1284 CB LEU A 85 -2.244 5.397 -6.142 1.00 0.00 C ATOM 1285 CG LEU A 85 -3.518 4.861 -5.488 1.00 0.00 C ATOM 1286 CD1 LEU A 85 -3.243 4.427 -4.057 1.00 0.00 C ATOM 1287 CD2 LEU A 85 -4.620 5.912 -5.526 1.00 0.00 C ATOM 0 H LEU A 85 -1.585 3.384 -7.402 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.207 5.592 -8.054 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.398 4.819 -5.770 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.097 6.426 -5.814 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.853 3.990 -6.051 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.162 4.049 -3.609 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.487 3.641 -4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.883 5.279 -3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.519 5.513 -5.056 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.293 6.802 -4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.837 6.174 -6.561 1.00 0.00 H new