USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 652 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 87 SER OG : rot 180:sc= -0.0012 USER MOD Set 1.2: A 91 HIS : no HE2:sc= -0.994 X(o=-1,f=-1) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0334 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0449) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 77:sc= 0.814 USER MOD Single : A 29 GLN : amide:sc= -0.86 X(o=-0.86,f=-1.2) USER MOD Single : A 35 CYS SG : rot 180:sc= 0.0184 USER MOD Single : A 38 GLN : amide:sc= -0.916 X(o=-0.92,f=-0.55) USER MOD Single : A 44 MET CE :methyl -132:sc= -4! (180deg=-6.4!) USER MOD Single : A 46 HIS : no HE2:sc= -0.232 X(o=-0.23,f=-0.45) USER MOD Single : A 49 ASN : amide:sc= -0.254 K(o=-0.25,f=-2.5!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -153:sc= -1.54 (180deg=-1.63) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot -110:sc= -0.304 USER MOD Single : A 82 GLN : amide:sc= -0.235 X(o=-0.23,f=-0.23) USER MOD Single : A 83 THR OG1 : rot 114:sc= 0.819 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 186 N PHE A 17 -5.009 9.140 3.616 1.00 0.00 N ATOM 187 CA PHE A 17 -6.003 8.482 2.776 1.00 0.00 C ATOM 188 C PHE A 17 -6.509 7.201 3.432 1.00 0.00 C ATOM 189 O PHE A 17 -7.703 6.906 3.402 1.00 0.00 O ATOM 190 CB PHE A 17 -5.411 8.164 1.403 1.00 0.00 C ATOM 191 CG PHE A 17 -5.090 9.384 0.587 1.00 0.00 C ATOM 192 CD1 PHE A 17 -6.081 10.032 -0.134 1.00 0.00 C ATOM 193 CD2 PHE A 17 -3.798 9.884 0.544 1.00 0.00 C ATOM 194 CE1 PHE A 17 -5.788 11.155 -0.884 1.00 0.00 C ATOM 195 CE2 PHE A 17 -3.500 11.007 -0.205 1.00 0.00 C ATOM 196 CZ PHE A 17 -4.496 11.643 -0.920 1.00 0.00 C ATOM 0 HA PHE A 17 -6.845 9.163 2.653 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.502 7.577 1.536 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -6.114 7.542 0.849 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -7.093 9.655 -0.109 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.016 9.391 1.102 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.569 11.651 -1.442 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.489 11.387 -0.231 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.265 12.520 -1.506 1.00 0.00 H new ATOM 206 N ILE A 18 -5.590 6.444 4.026 1.00 0.00 N ATOM 207 CA ILE A 18 -5.942 5.194 4.689 1.00 0.00 C ATOM 208 C ILE A 18 -5.881 5.342 6.205 1.00 0.00 C ATOM 209 O ILE A 18 -4.995 6.009 6.738 1.00 0.00 O ATOM 210 CB ILE A 18 -5.010 4.047 4.258 1.00 0.00 C ATOM 211 CG1 ILE A 18 -4.835 4.041 2.738 1.00 0.00 C ATOM 212 CG2 ILE A 18 -5.556 2.711 4.738 1.00 0.00 C ATOM 213 CD1 ILE A 18 -3.820 3.031 2.251 1.00 0.00 C ATOM 0 H ILE A 18 -4.597 6.675 4.061 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.962 4.953 4.390 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.033 4.205 4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -5.797 3.832 2.270 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.531 5.036 2.411 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.886 1.910 4.425 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.630 2.718 5.825 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.544 2.546 4.308 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.748 3.082 1.165 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.847 3.252 2.690 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.132 2.030 2.547 1.00 0.00 H new ATOM 225 N THR A 19 -6.830 4.717 6.894 1.00 0.00 N ATOM 226 CA THR A 19 -6.885 4.778 8.350 1.00 0.00 C ATOM 227 C THR A 19 -6.358 3.489 8.970 1.00 0.00 C ATOM 228 O THR A 19 -5.904 2.588 8.264 1.00 0.00 O ATOM 229 CB THR A 19 -8.318 5.034 8.816 1.00 0.00 C ATOM 230 OG1 THR A 19 -9.249 4.474 7.908 1.00 0.00 O ATOM 231 CG2 THR A 19 -8.648 6.505 8.963 1.00 0.00 C ATOM 0 H THR A 19 -7.572 4.162 6.467 1.00 0.00 H new ATOM 0 HA THR A 19 -6.251 5.602 8.678 1.00 0.00 H new ATOM 0 HB THR A 19 -8.390 4.563 9.796 1.00 0.00 H new ATOM 0 HG1 THR A 19 -10.160 4.647 8.225 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.680 6.615 9.296 1.00 0.00 H new ATOM 0 HG22 THR A 19 -7.980 6.956 9.696 1.00 0.00 H new ATOM 0 HG23 THR A 19 -8.522 7.004 8.002 1.00 0.00 H new ATOM 239 N LYS A 20 -6.420 3.406 10.295 1.00 0.00 N ATOM 240 CA LYS A 20 -5.949 2.225 11.011 1.00 0.00 C ATOM 241 C LYS A 20 -7.012 1.132 11.018 1.00 0.00 C ATOM 242 O LYS A 20 -6.694 -0.057 11.027 1.00 0.00 O ATOM 243 CB LYS A 20 -5.570 2.593 12.447 1.00 0.00 C ATOM 244 CG LYS A 20 -6.698 3.254 13.224 1.00 0.00 C ATOM 245 CD LYS A 20 -6.368 4.698 13.574 1.00 0.00 C ATOM 246 CE LYS A 20 -6.053 4.857 15.053 1.00 0.00 C ATOM 247 NZ LYS A 20 -6.665 6.090 15.622 1.00 0.00 N ATOM 0 H LYS A 20 -6.792 4.142 10.895 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.068 1.845 10.495 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.257 1.692 12.974 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.712 3.265 12.427 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.614 3.223 12.634 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.888 2.692 14.138 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.516 5.031 12.982 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.209 5.339 13.310 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.418 3.986 15.598 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.972 4.890 15.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.427 6.162 16.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.298 6.923 15.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.698 6.047 15.512 1.00 0.00 H new ATOM 261 N GLU A 21 -8.276 1.543 11.013 1.00 0.00 N ATOM 262 CA GLU A 21 -9.387 0.599 11.020 1.00 0.00 C ATOM 263 C GLU A 21 -9.390 -0.249 9.751 1.00 0.00 C ATOM 264 O GLU A 21 -9.813 -1.404 9.766 1.00 0.00 O ATOM 265 CB GLU A 21 -10.716 1.344 11.153 1.00 0.00 C ATOM 266 CG GLU A 21 -11.716 0.649 12.061 1.00 0.00 C ATOM 267 CD GLU A 21 -12.926 1.511 12.365 1.00 0.00 C ATOM 268 OE1 GLU A 21 -13.778 1.676 11.466 1.00 0.00 O ATOM 269 OE2 GLU A 21 -13.022 2.021 13.501 1.00 0.00 O ATOM 0 H GLU A 21 -8.556 2.524 11.004 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.262 -0.063 11.877 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.524 2.346 11.538 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.157 1.462 10.163 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.044 -0.278 11.591 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.225 0.377 12.995 1.00 0.00 H new ATOM 276 N LYS A 22 -8.914 0.334 8.655 1.00 0.00 N ATOM 277 CA LYS A 22 -8.862 -0.368 7.378 1.00 0.00 C ATOM 278 C LYS A 22 -7.728 -1.389 7.364 1.00 0.00 C ATOM 279 O LYS A 22 -7.930 -2.552 7.013 1.00 0.00 O ATOM 280 CB LYS A 22 -8.685 0.629 6.231 1.00 0.00 C ATOM 281 CG LYS A 22 -9.681 0.435 5.097 1.00 0.00 C ATOM 282 CD LYS A 22 -10.746 1.520 5.099 1.00 0.00 C ATOM 283 CE LYS A 22 -11.639 1.421 6.325 1.00 0.00 C ATOM 284 NZ LYS A 22 -12.550 0.245 6.257 1.00 0.00 N ATOM 0 H LYS A 22 -8.559 1.290 8.626 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.804 -0.899 7.244 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.785 1.642 6.622 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.674 0.539 5.835 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.154 0.443 4.143 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.155 -0.542 5.191 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.269 2.500 5.073 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.353 1.437 4.198 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.020 1.349 7.220 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.230 2.332 6.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.243 0.297 7.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.049 0.245 5.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.995 -0.630 6.348 1.00 0.00 H new ATOM 298 N LYS A 23 -6.535 -0.945 7.746 1.00 0.00 N ATOM 299 CA LYS A 23 -5.367 -1.819 7.776 1.00 0.00 C ATOM 300 C LYS A 23 -5.538 -2.922 8.816 1.00 0.00 C ATOM 301 O LYS A 23 -5.025 -4.029 8.650 1.00 0.00 O ATOM 302 CB LYS A 23 -4.107 -1.008 8.080 1.00 0.00 C ATOM 303 CG LYS A 23 -3.539 -0.291 6.865 1.00 0.00 C ATOM 304 CD LYS A 23 -3.137 1.138 7.195 1.00 0.00 C ATOM 305 CE LYS A 23 -1.693 1.217 7.662 1.00 0.00 C ATOM 306 NZ LYS A 23 -1.591 1.252 9.147 1.00 0.00 N ATOM 0 H LYS A 23 -6.351 0.015 8.039 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.266 -2.283 6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.335 -0.273 8.852 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.346 -1.673 8.488 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.672 -0.837 6.492 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.280 -0.286 6.066 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.271 1.767 6.315 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.793 1.532 7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.141 0.358 7.280 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.225 2.109 7.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.590 1.306 9.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.097 2.085 9.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.015 0.389 9.545 1.00 0.00 H new ATOM 320 N ASP A 24 -6.261 -2.614 9.887 1.00 0.00 N ATOM 321 CA ASP A 24 -6.499 -3.579 10.954 1.00 0.00 C ATOM 322 C ASP A 24 -7.322 -4.760 10.449 1.00 0.00 C ATOM 323 O ASP A 24 -7.191 -5.878 10.949 1.00 0.00 O ATOM 324 CB ASP A 24 -7.212 -2.906 12.129 1.00 0.00 C ATOM 325 CG ASP A 24 -6.268 -2.581 13.269 1.00 0.00 C ATOM 326 OD1 ASP A 24 -5.457 -1.643 13.119 1.00 0.00 O ATOM 327 OD2 ASP A 24 -6.340 -3.264 14.313 1.00 0.00 O ATOM 0 H ASP A 24 -6.693 -1.703 10.039 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.533 -3.954 11.292 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.689 -1.989 11.784 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.004 -3.560 12.492 1.00 0.00 H new ATOM 332 N THR A 25 -8.172 -4.507 9.460 1.00 0.00 N ATOM 333 CA THR A 25 -9.017 -5.551 8.892 1.00 0.00 C ATOM 334 C THR A 25 -8.300 -6.281 7.760 1.00 0.00 C ATOM 335 O THR A 25 -8.530 -7.468 7.532 1.00 0.00 O ATOM 336 CB THR A 25 -10.327 -4.951 8.377 1.00 0.00 C ATOM 337 OG1 THR A 25 -10.710 -3.836 9.162 1.00 0.00 O ATOM 338 CG2 THR A 25 -11.477 -5.934 8.382 1.00 0.00 C ATOM 0 H THR A 25 -8.294 -3.588 9.035 1.00 0.00 H new ATOM 0 HA THR A 25 -9.238 -6.271 9.680 1.00 0.00 H new ATOM 0 HB THR A 25 -10.126 -4.658 7.347 1.00 0.00 H new ATOM 0 HG1 THR A 25 -10.160 -3.062 8.921 1.00 0.00 H new ATOM 0 HG21 THR A 25 -12.375 -5.445 8.005 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.232 -6.784 7.745 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.653 -6.283 9.400 1.00 0.00 H new ATOM 346 N VAL A 26 -7.431 -5.563 7.055 1.00 0.00 N ATOM 347 CA VAL A 26 -6.683 -6.144 5.947 1.00 0.00 C ATOM 348 C VAL A 26 -5.719 -7.220 6.436 1.00 0.00 C ATOM 349 O VAL A 26 -5.558 -8.260 5.798 1.00 0.00 O ATOM 350 CB VAL A 26 -5.889 -5.069 5.179 1.00 0.00 C ATOM 351 CG1 VAL A 26 -5.265 -5.659 3.925 1.00 0.00 C ATOM 352 CG2 VAL A 26 -6.785 -3.886 4.836 1.00 0.00 C ATOM 0 H VAL A 26 -7.228 -4.579 7.232 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.414 -6.594 5.275 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.084 -4.710 5.820 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.709 -4.885 3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.588 -6.468 4.201 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.050 -6.048 3.277 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.207 -3.137 4.294 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.613 -4.225 4.214 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.176 -3.448 5.754 1.00 0.00 H new ATOM 362 N LEU A 27 -5.076 -6.962 7.571 1.00 0.00 N ATOM 363 CA LEU A 27 -4.127 -7.908 8.144 1.00 0.00 C ATOM 364 C LEU A 27 -4.848 -9.011 8.915 1.00 0.00 C ATOM 365 O LEU A 27 -4.346 -10.128 9.032 1.00 0.00 O ATOM 366 CB LEU A 27 -3.146 -7.182 9.068 1.00 0.00 C ATOM 367 CG LEU A 27 -2.505 -5.927 8.473 1.00 0.00 C ATOM 368 CD1 LEU A 27 -1.784 -5.134 9.552 1.00 0.00 C ATOM 369 CD2 LEU A 27 -1.546 -6.300 7.352 1.00 0.00 C ATOM 0 H LEU A 27 -5.196 -6.105 8.111 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.574 -8.367 7.324 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.669 -6.905 9.983 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.355 -7.876 9.351 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.294 -5.301 8.057 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.334 -4.245 9.111 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.496 -4.836 10.322 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.004 -5.752 9.998 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.099 -5.395 6.940 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.761 -6.946 7.745 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.090 -6.826 6.567 1.00 0.00 H new ATOM 381 N ARG A 28 -6.026 -8.688 9.440 1.00 0.00 N ATOM 382 CA ARG A 28 -6.814 -9.652 10.201 1.00 0.00 C ATOM 383 C ARG A 28 -7.099 -10.901 9.372 1.00 0.00 C ATOM 384 O ARG A 28 -6.929 -12.024 9.846 1.00 0.00 O ATOM 385 CB ARG A 28 -8.129 -9.020 10.659 1.00 0.00 C ATOM 386 CG ARG A 28 -8.753 -9.714 11.859 1.00 0.00 C ATOM 387 CD ARG A 28 -10.235 -9.399 11.977 1.00 0.00 C ATOM 388 NE ARG A 28 -10.974 -9.784 10.775 1.00 0.00 N ATOM 389 CZ ARG A 28 -12.182 -9.317 10.468 1.00 0.00 C ATOM 390 NH1 ARG A 28 -12.790 -8.450 11.268 1.00 0.00 N ATOM 391 NH2 ARG A 28 -12.784 -9.718 9.357 1.00 0.00 N ATOM 0 H ARG A 28 -6.456 -7.767 9.353 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.234 -9.944 11.077 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.952 -7.973 10.907 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.838 -9.036 9.831 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.615 -10.792 11.770 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.240 -9.401 12.769 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.649 -9.921 12.840 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.366 -8.332 12.157 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.539 -10.449 10.135 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.332 -8.138 12.124 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -13.716 -8.096 11.027 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -12.321 -10.384 8.738 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -13.710 -9.361 9.121 1.00 0.00 H new ATOM 405 N GLN A 29 -7.534 -10.697 8.134 1.00 0.00 N ATOM 406 CA GLN A 29 -7.843 -11.807 7.240 1.00 0.00 C ATOM 407 C GLN A 29 -6.597 -12.638 6.952 1.00 0.00 C ATOM 408 O GLN A 29 -6.680 -13.848 6.742 1.00 0.00 O ATOM 409 CB GLN A 29 -8.436 -11.286 5.929 1.00 0.00 C ATOM 410 CG GLN A 29 -9.795 -10.627 6.096 1.00 0.00 C ATOM 411 CD GLN A 29 -10.127 -9.680 4.961 1.00 0.00 C ATOM 412 OE1 GLN A 29 -9.306 -8.850 4.569 1.00 0.00 O ATOM 413 NE2 GLN A 29 -11.336 -9.798 4.424 1.00 0.00 N ATOM 0 H GLN A 29 -7.681 -9.774 7.726 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.577 -12.444 7.735 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.745 -10.568 5.487 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.527 -12.114 5.226 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.563 -11.398 6.158 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.816 -10.080 7.039 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.986 -10.500 4.779 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.615 -9.187 3.656 1.00 0.00 H new ATOM 422 N VAL A 30 -5.441 -11.980 6.944 1.00 0.00 N ATOM 423 CA VAL A 30 -4.177 -12.658 6.682 1.00 0.00 C ATOM 424 C VAL A 30 -3.736 -13.483 7.886 1.00 0.00 C ATOM 425 O VAL A 30 -3.403 -14.660 7.755 1.00 0.00 O ATOM 426 CB VAL A 30 -3.064 -11.655 6.326 1.00 0.00 C ATOM 427 CG1 VAL A 30 -1.814 -12.386 5.863 1.00 0.00 C ATOM 428 CG2 VAL A 30 -3.545 -10.680 5.261 1.00 0.00 C ATOM 0 H VAL A 30 -5.354 -10.978 7.116 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.344 -13.320 5.832 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.813 -11.086 7.221 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.039 -11.661 5.616 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.459 -13.040 6.660 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.047 -12.983 4.981 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.745 -9.979 5.022 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.825 -11.231 4.363 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.410 -10.131 5.634 1.00 0.00 H new ATOM 438 N ARG A 31 -3.735 -12.856 9.058 1.00 0.00 N ATOM 439 CA ARG A 31 -3.334 -13.533 10.286 1.00 0.00 C ATOM 440 C ARG A 31 -4.227 -14.739 10.561 1.00 0.00 C ATOM 441 O ARG A 31 -3.787 -15.728 11.148 1.00 0.00 O ATOM 442 CB ARG A 31 -3.390 -12.564 11.468 1.00 0.00 C ATOM 443 CG ARG A 31 -2.079 -11.835 11.719 1.00 0.00 C ATOM 444 CD ARG A 31 -2.051 -10.483 11.025 1.00 0.00 C ATOM 445 NE ARG A 31 -0.946 -9.650 11.494 1.00 0.00 N ATOM 446 CZ ARG A 31 -0.959 -8.981 12.644 1.00 0.00 C ATOM 447 NH1 ARG A 31 -2.015 -9.044 13.445 1.00 0.00 N ATOM 448 NH2 ARG A 31 0.088 -8.247 12.995 1.00 0.00 N ATOM 0 H ARG A 31 -4.007 -11.881 9.183 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.310 -13.884 10.159 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.176 -11.830 11.289 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.668 -13.115 12.366 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.937 -11.698 12.791 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.249 -12.445 11.363 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.963 -10.630 9.949 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.994 -9.966 11.200 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.116 -9.577 10.905 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.823 -9.608 13.180 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.019 -8.529 14.325 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.903 -8.195 12.383 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.079 -7.734 13.876 1.00 0.00 H new ATOM 462 N LEU A 32 -5.482 -14.652 10.133 1.00 0.00 N ATOM 463 CA LEU A 32 -6.436 -15.737 10.333 1.00 0.00 C ATOM 464 C LEU A 32 -6.198 -16.863 9.333 1.00 0.00 C ATOM 465 O LEU A 32 -5.882 -17.990 9.716 1.00 0.00 O ATOM 466 CB LEU A 32 -7.869 -15.215 10.200 1.00 0.00 C ATOM 467 CG LEU A 32 -8.485 -14.679 11.493 1.00 0.00 C ATOM 468 CD1 LEU A 32 -9.723 -13.849 11.190 1.00 0.00 C ATOM 469 CD2 LEU A 32 -8.825 -15.824 12.435 1.00 0.00 C ATOM 0 H LEU A 32 -5.862 -13.841 9.645 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.292 -16.133 11.338 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.883 -14.422 9.453 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.499 -16.020 9.822 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.754 -14.037 11.983 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.148 -13.476 12.122 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.450 -13.008 10.553 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.460 -14.468 10.678 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.262 -15.425 13.350 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.539 -16.492 11.953 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.918 -16.377 12.678 1.00 0.00 H new ATOM 481 N ASP A 33 -6.351 -16.551 8.051 1.00 0.00 N ATOM 482 CA ASP A 33 -6.154 -17.538 6.995 1.00 0.00 C ATOM 483 C ASP A 33 -4.924 -17.197 6.154 1.00 0.00 C ATOM 484 O ASP A 33 -5.019 -16.453 5.177 1.00 0.00 O ATOM 485 CB ASP A 33 -7.393 -17.612 6.100 1.00 0.00 C ATOM 486 CG ASP A 33 -7.774 -19.040 5.759 1.00 0.00 C ATOM 487 OD1 ASP A 33 -6.880 -19.912 5.770 1.00 0.00 O ATOM 488 OD2 ASP A 33 -8.966 -19.285 5.481 1.00 0.00 O ATOM 0 H ASP A 33 -6.611 -15.623 7.718 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.994 -18.509 7.464 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.230 -17.125 6.601 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.207 -17.059 5.180 1.00 0.00 H new ATOM 493 N PRO A 34 -3.750 -17.739 6.524 1.00 0.00 N ATOM 494 CA PRO A 34 -2.501 -17.488 5.796 1.00 0.00 C ATOM 495 C PRO A 34 -2.643 -17.733 4.298 1.00 0.00 C ATOM 496 O PRO A 34 -2.972 -18.839 3.868 1.00 0.00 O ATOM 497 CB PRO A 34 -1.523 -18.490 6.412 1.00 0.00 C ATOM 498 CG PRO A 34 -2.050 -18.738 7.782 1.00 0.00 C ATOM 499 CD PRO A 34 -3.548 -18.637 7.676 1.00 0.00 C ATOM 0 HA PRO A 34 -2.180 -16.450 5.884 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.481 -19.411 5.831 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.511 -18.087 6.444 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.750 -19.722 8.143 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.659 -18.006 8.489 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.006 -19.612 7.510 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -3.988 -18.229 8.586 1.00 0.00 H new ATOM 507 N CYS A 35 -2.392 -16.695 3.507 1.00 0.00 N ATOM 508 CA CYS A 35 -2.493 -16.798 2.056 1.00 0.00 C ATOM 509 C CYS A 35 -1.352 -16.046 1.377 1.00 0.00 C ATOM 510 O CYS A 35 -0.638 -15.273 2.016 1.00 0.00 O ATOM 511 CB CYS A 35 -3.837 -16.248 1.575 1.00 0.00 C ATOM 512 SG CYS A 35 -4.445 -17.012 0.054 1.00 0.00 S ATOM 0 H CYS A 35 -2.117 -15.773 3.846 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.423 -17.852 1.787 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.578 -16.390 2.362 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.742 -15.174 1.417 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.587 -16.483 -0.271 1.00 0.00 H new ATOM 518 N ASP A 36 -1.186 -16.278 0.079 1.00 0.00 N ATOM 519 CA ASP A 36 -0.132 -15.622 -0.686 1.00 0.00 C ATOM 520 C ASP A 36 -0.411 -14.129 -0.823 1.00 0.00 C ATOM 521 O ASP A 36 -1.515 -13.724 -1.187 1.00 0.00 O ATOM 522 CB ASP A 36 -0.005 -16.261 -2.070 1.00 0.00 C ATOM 523 CG ASP A 36 1.103 -17.294 -2.130 1.00 0.00 C ATOM 524 OD1 ASP A 36 1.256 -18.057 -1.153 1.00 0.00 O ATOM 525 OD2 ASP A 36 1.817 -17.341 -3.154 1.00 0.00 O ATOM 0 H ASP A 36 -1.768 -16.915 -0.465 1.00 0.00 H new ATOM 0 HA ASP A 36 0.808 -15.749 -0.149 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.951 -16.731 -2.338 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.186 -15.484 -2.810 1.00 0.00 H new ATOM 530 N LEU A 37 0.598 -13.314 -0.531 1.00 0.00 N ATOM 531 CA LEU A 37 0.462 -11.865 -0.622 1.00 0.00 C ATOM 532 C LEU A 37 1.511 -11.279 -1.561 1.00 0.00 C ATOM 533 O LEU A 37 1.995 -10.166 -1.351 1.00 0.00 O ATOM 534 CB LEU A 37 0.591 -11.232 0.765 1.00 0.00 C ATOM 535 CG LEU A 37 -0.378 -11.774 1.816 1.00 0.00 C ATOM 536 CD1 LEU A 37 0.095 -11.411 3.216 1.00 0.00 C ATOM 537 CD2 LEU A 37 -1.783 -11.243 1.571 1.00 0.00 C ATOM 0 H LEU A 37 1.519 -13.633 -0.229 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.526 -11.642 -1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.610 -11.380 1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.439 -10.157 0.673 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.403 -12.861 1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.607 -11.805 3.951 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.081 -11.841 3.390 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.150 -10.327 3.312 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.459 -11.639 2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.775 -10.154 1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.123 -11.554 0.583 1.00 0.00 H new ATOM 549 N GLN A 38 1.859 -12.035 -2.597 1.00 0.00 N ATOM 550 CA GLN A 38 2.852 -11.590 -3.569 1.00 0.00 C ATOM 551 C GLN A 38 2.204 -10.766 -4.680 1.00 0.00 C ATOM 552 O GLN A 38 2.648 -9.657 -4.980 1.00 0.00 O ATOM 553 CB GLN A 38 3.585 -12.793 -4.168 1.00 0.00 C ATOM 554 CG GLN A 38 5.093 -12.610 -4.244 1.00 0.00 C ATOM 555 CD GLN A 38 5.704 -12.250 -2.904 1.00 0.00 C ATOM 556 OE1 GLN A 38 5.937 -13.116 -2.061 1.00 0.00 O ATOM 557 NE2 GLN A 38 5.968 -10.964 -2.701 1.00 0.00 N ATOM 0 H GLN A 38 1.469 -12.958 -2.785 1.00 0.00 H new ATOM 0 HA GLN A 38 3.571 -10.957 -3.049 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.364 -13.677 -3.570 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.199 -12.981 -5.170 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.549 -13.529 -4.612 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.325 -11.828 -4.967 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.759 -10.279 -3.428 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.380 -10.661 -1.819 1.00 0.00 H new ATOM 566 N PRO A 39 1.139 -11.296 -5.310 1.00 0.00 N ATOM 567 CA PRO A 39 0.436 -10.599 -6.393 1.00 0.00 C ATOM 568 C PRO A 39 0.061 -9.169 -6.015 1.00 0.00 C ATOM 569 O PRO A 39 -0.066 -8.301 -6.880 1.00 0.00 O ATOM 570 CB PRO A 39 -0.822 -11.444 -6.600 1.00 0.00 C ATOM 571 CG PRO A 39 -0.438 -12.809 -6.147 1.00 0.00 C ATOM 572 CD PRO A 39 0.539 -12.613 -5.020 1.00 0.00 C ATOM 0 HA PRO A 39 1.054 -10.504 -7.286 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.660 -11.056 -6.021 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.131 -11.446 -7.645 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.311 -13.369 -5.813 1.00 0.00 H new ATOM 0 HG3 PRO A 39 0.013 -13.377 -6.960 1.00 0.00 H new ATOM 0 HD2 PRO A 39 0.041 -12.622 -4.051 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.292 -13.401 -4.999 1.00 0.00 H new ATOM 580 N ILE A 40 -0.112 -8.930 -4.719 1.00 0.00 N ATOM 581 CA ILE A 40 -0.472 -7.605 -4.228 1.00 0.00 C ATOM 582 C ILE A 40 0.741 -6.681 -4.207 1.00 0.00 C ATOM 583 O ILE A 40 0.615 -5.469 -4.384 1.00 0.00 O ATOM 584 CB ILE A 40 -1.075 -7.675 -2.812 1.00 0.00 C ATOM 585 CG1 ILE A 40 -2.184 -8.728 -2.754 1.00 0.00 C ATOM 586 CG2 ILE A 40 -1.609 -6.312 -2.395 1.00 0.00 C ATOM 587 CD1 ILE A 40 -2.083 -9.645 -1.554 1.00 0.00 C ATOM 0 H ILE A 40 -0.009 -9.636 -3.990 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.220 -7.205 -4.913 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.289 -7.965 -2.115 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.151 -8.225 -2.737 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.153 -9.328 -3.664 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.032 -6.378 -1.392 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.796 -5.586 -2.399 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.382 -5.995 -3.095 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.900 -10.366 -1.577 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.131 -10.175 -1.580 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.145 -9.055 -0.639 1.00 0.00 H new ATOM 599 N PHE A 41 1.917 -7.261 -3.989 1.00 0.00 N ATOM 600 CA PHE A 41 3.154 -6.490 -3.942 1.00 0.00 C ATOM 601 C PHE A 41 3.746 -6.323 -5.337 1.00 0.00 C ATOM 602 O PHE A 41 4.281 -5.266 -5.673 1.00 0.00 O ATOM 603 CB PHE A 41 4.169 -7.171 -3.024 1.00 0.00 C ATOM 604 CG PHE A 41 4.033 -6.777 -1.580 1.00 0.00 C ATOM 605 CD1 PHE A 41 2.997 -7.276 -0.809 1.00 0.00 C ATOM 606 CD2 PHE A 41 4.942 -5.910 -0.997 1.00 0.00 C ATOM 607 CE1 PHE A 41 2.869 -6.916 0.519 1.00 0.00 C ATOM 608 CE2 PHE A 41 4.819 -5.546 0.331 1.00 0.00 C ATOM 609 CZ PHE A 41 3.781 -6.049 1.090 1.00 0.00 C ATOM 0 H PHE A 41 2.039 -8.263 -3.842 1.00 0.00 H new ATOM 0 HA PHE A 41 2.921 -5.502 -3.546 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.056 -8.252 -3.109 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.175 -6.928 -3.365 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.281 -7.954 -1.250 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.756 -5.514 -1.586 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.057 -7.312 1.110 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.534 -4.869 0.774 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.682 -5.765 2.127 1.00 0.00 H new ATOM 619 N ASP A 42 3.651 -7.373 -6.146 1.00 0.00 N ATOM 620 CA ASP A 42 4.181 -7.341 -7.504 1.00 0.00 C ATOM 621 C ASP A 42 3.435 -6.326 -8.370 1.00 0.00 C ATOM 622 O ASP A 42 3.918 -5.933 -9.431 1.00 0.00 O ATOM 623 CB ASP A 42 4.091 -8.731 -8.139 1.00 0.00 C ATOM 624 CG ASP A 42 5.276 -9.036 -9.034 1.00 0.00 C ATOM 625 OD1 ASP A 42 6.401 -8.616 -8.693 1.00 0.00 O ATOM 626 OD2 ASP A 42 5.078 -9.696 -10.076 1.00 0.00 O ATOM 0 H ASP A 42 3.212 -8.256 -5.885 1.00 0.00 H new ATOM 0 HA ASP A 42 5.226 -7.036 -7.447 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.030 -9.483 -7.353 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.172 -8.803 -8.721 1.00 0.00 H new ATOM 631 N ASP A 43 2.255 -5.910 -7.917 1.00 0.00 N ATOM 632 CA ASP A 43 1.451 -4.947 -8.660 1.00 0.00 C ATOM 633 C ASP A 43 1.529 -3.557 -8.032 1.00 0.00 C ATOM 634 O ASP A 43 1.388 -2.547 -8.720 1.00 0.00 O ATOM 635 CB ASP A 43 -0.005 -5.409 -8.720 1.00 0.00 C ATOM 636 CG ASP A 43 -0.750 -4.824 -9.905 1.00 0.00 C ATOM 637 OD1 ASP A 43 -0.367 -5.126 -11.055 1.00 0.00 O ATOM 638 OD2 ASP A 43 -1.716 -4.064 -9.682 1.00 0.00 O ATOM 0 H ASP A 43 1.836 -6.224 -7.042 1.00 0.00 H new ATOM 0 HA ASP A 43 1.853 -4.887 -9.672 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.036 -6.497 -8.776 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.512 -5.123 -7.799 1.00 0.00 H new ATOM 643 N MET A 44 1.747 -3.513 -6.722 1.00 0.00 N ATOM 644 CA MET A 44 1.836 -2.244 -6.006 1.00 0.00 C ATOM 645 C MET A 44 3.283 -1.771 -5.893 1.00 0.00 C ATOM 646 O MET A 44 3.544 -0.574 -5.760 1.00 0.00 O ATOM 647 CB MET A 44 1.223 -2.380 -4.611 1.00 0.00 C ATOM 648 CG MET A 44 -0.275 -2.638 -4.628 1.00 0.00 C ATOM 649 SD MET A 44 -1.189 -1.367 -5.522 1.00 0.00 S ATOM 650 CE MET A 44 -1.243 -0.061 -4.297 1.00 0.00 C ATOM 0 H MET A 44 1.865 -4.339 -6.135 1.00 0.00 H new ATOM 0 HA MET A 44 1.278 -1.500 -6.575 1.00 0.00 H new ATOM 0 HB2 MET A 44 1.718 -3.195 -4.084 1.00 0.00 H new ATOM 0 HB3 MET A 44 1.420 -1.469 -4.046 1.00 0.00 H new ATOM 0 HG2 MET A 44 -0.467 -3.608 -5.086 1.00 0.00 H new ATOM 0 HG3 MET A 44 -0.642 -2.691 -3.603 1.00 0.00 H new ATOM 0 HE1 MET A 44 -2.261 0.320 -4.216 1.00 0.00 H new ATOM 0 HE2 MET A 44 -0.924 -0.454 -3.332 1.00 0.00 H new ATOM 0 HE3 MET A 44 -0.576 0.747 -4.597 1.00 0.00 H new ATOM 660 N LEU A 45 4.221 -2.712 -5.944 1.00 0.00 N ATOM 661 CA LEU A 45 5.640 -2.385 -5.845 1.00 0.00 C ATOM 662 C LEU A 45 6.042 -1.344 -6.886 1.00 0.00 C ATOM 663 O LEU A 45 6.975 -0.570 -6.675 1.00 0.00 O ATOM 664 CB LEU A 45 6.489 -3.647 -6.018 1.00 0.00 C ATOM 665 CG LEU A 45 6.736 -4.442 -4.736 1.00 0.00 C ATOM 666 CD1 LEU A 45 7.250 -5.835 -5.062 1.00 0.00 C ATOM 667 CD2 LEU A 45 7.718 -3.708 -3.836 1.00 0.00 C ATOM 0 H LEU A 45 4.024 -3.707 -6.053 1.00 0.00 H new ATOM 0 HA LEU A 45 5.817 -1.965 -4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.001 -4.298 -6.743 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.452 -3.363 -6.443 1.00 0.00 H new ATOM 0 HG LEU A 45 5.789 -4.541 -4.205 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.420 -6.386 -4.137 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.513 -6.362 -5.668 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.186 -5.757 -5.615 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.883 -4.288 -2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.665 -3.578 -4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.311 -2.731 -3.574 1.00 0.00 H new ATOM 679 N HIS A 46 5.331 -1.330 -8.009 1.00 0.00 N ATOM 680 CA HIS A 46 5.617 -0.384 -9.082 1.00 0.00 C ATOM 681 C HIS A 46 5.236 1.037 -8.673 1.00 0.00 C ATOM 682 O HIS A 46 5.847 2.006 -9.120 1.00 0.00 O ATOM 683 CB HIS A 46 4.866 -0.781 -10.354 1.00 0.00 C ATOM 684 CG HIS A 46 5.688 -0.651 -11.599 1.00 0.00 C ATOM 685 ND1 HIS A 46 7.040 -0.910 -11.655 1.00 0.00 N ATOM 686 CD2 HIS A 46 5.325 -0.282 -12.853 1.00 0.00 C ATOM 687 CE1 HIS A 46 7.447 -0.693 -12.913 1.00 0.00 C ATOM 688 NE2 HIS A 46 6.444 -0.310 -13.680 1.00 0.00 N ATOM 0 H HIS A 46 4.554 -1.962 -8.200 1.00 0.00 H new ATOM 0 HA HIS A 46 6.689 -0.410 -9.279 1.00 0.00 H new ATOM 0 HB2 HIS A 46 4.526 -1.812 -10.259 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.976 -0.160 -10.450 1.00 0.00 H new ATOM 0 HD1 HIS A 46 7.627 -1.213 -10.877 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.326 -0.010 -13.161 1.00 0.00 H new ATOM 0 HE1 HIS A 46 8.464 -0.816 -13.255 1.00 0.00 H new ATOM 696 N PHE A 47 4.220 1.151 -7.823 1.00 0.00 N ATOM 697 CA PHE A 47 3.758 2.454 -7.357 1.00 0.00 C ATOM 698 C PHE A 47 4.847 3.167 -6.562 1.00 0.00 C ATOM 699 O PHE A 47 5.223 4.296 -6.880 1.00 0.00 O ATOM 700 CB PHE A 47 2.503 2.297 -6.497 1.00 0.00 C ATOM 701 CG PHE A 47 1.261 2.019 -7.294 1.00 0.00 C ATOM 702 CD1 PHE A 47 1.063 0.781 -7.884 1.00 0.00 C ATOM 703 CD2 PHE A 47 0.291 2.996 -7.454 1.00 0.00 C ATOM 704 CE1 PHE A 47 -0.080 0.522 -8.619 1.00 0.00 C ATOM 705 CE2 PHE A 47 -0.853 2.744 -8.188 1.00 0.00 C ATOM 706 CZ PHE A 47 -1.038 1.505 -8.771 1.00 0.00 C ATOM 0 H PHE A 47 3.702 0.359 -7.444 1.00 0.00 H new ATOM 0 HA PHE A 47 3.518 3.059 -8.231 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.658 1.485 -5.787 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.355 3.206 -5.915 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.810 0.009 -7.769 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.431 3.966 -7.000 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.223 -0.447 -9.073 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.601 3.514 -8.306 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.931 1.306 -9.345 1.00 0.00 H new ATOM 716 N LEU A 48 5.350 2.502 -5.526 1.00 0.00 N ATOM 717 CA LEU A 48 6.396 3.076 -4.686 1.00 0.00 C ATOM 718 C LEU A 48 7.658 3.349 -5.499 1.00 0.00 C ATOM 719 O LEU A 48 7.766 2.938 -6.654 1.00 0.00 O ATOM 720 CB LEU A 48 6.719 2.137 -3.522 1.00 0.00 C ATOM 721 CG LEU A 48 5.507 1.456 -2.882 1.00 0.00 C ATOM 722 CD1 LEU A 48 5.499 -0.032 -3.197 1.00 0.00 C ATOM 723 CD2 LEU A 48 5.497 1.682 -1.378 1.00 0.00 C ATOM 0 H LEU A 48 5.051 1.567 -5.249 1.00 0.00 H new ATOM 0 HA LEU A 48 6.029 4.022 -4.289 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.404 1.367 -3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.246 2.703 -2.754 1.00 0.00 H new ATOM 0 HG LEU A 48 4.605 1.901 -3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.630 -0.497 -2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.454 -0.175 -4.277 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.408 -0.491 -2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.628 1.190 -0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.406 1.267 -0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.451 2.751 -1.171 1.00 0.00 H new ATOM 735 N ASN A 49 8.611 4.043 -4.885 1.00 0.00 N ATOM 736 CA ASN A 49 9.868 4.370 -5.549 1.00 0.00 C ATOM 737 C ASN A 49 11.006 3.507 -5.012 1.00 0.00 C ATOM 738 O ASN A 49 10.889 2.902 -3.946 1.00 0.00 O ATOM 739 CB ASN A 49 10.200 5.851 -5.357 1.00 0.00 C ATOM 740 CG ASN A 49 9.625 6.722 -6.457 1.00 0.00 C ATOM 741 OD1 ASN A 49 9.130 6.220 -7.466 1.00 0.00 O ATOM 742 ND2 ASN A 49 9.690 8.034 -6.267 1.00 0.00 N ATOM 0 H ASN A 49 8.537 4.390 -3.929 1.00 0.00 H new ATOM 0 HA ASN A 49 9.753 4.166 -6.614 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.813 6.185 -4.394 1.00 0.00 H new ATOM 0 HB3 ASN A 49 11.282 5.977 -5.327 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.321 8.671 -6.973 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.109 8.406 -5.415 1.00 0.00 H new ATOM 749 N PRO A 50 12.130 3.438 -5.748 1.00 0.00 N ATOM 750 CA PRO A 50 13.293 2.643 -5.340 1.00 0.00 C ATOM 751 C PRO A 50 13.730 2.947 -3.911 1.00 0.00 C ATOM 752 O PRO A 50 13.959 2.037 -3.113 1.00 0.00 O ATOM 753 CB PRO A 50 14.377 3.065 -6.332 1.00 0.00 C ATOM 754 CG PRO A 50 13.631 3.517 -7.539 1.00 0.00 C ATOM 755 CD PRO A 50 12.353 4.127 -7.033 1.00 0.00 C ATOM 0 HA PRO A 50 13.080 1.574 -5.351 1.00 0.00 H new ATOM 0 HB2 PRO A 50 14.995 3.866 -5.926 1.00 0.00 H new ATOM 0 HB3 PRO A 50 15.044 2.235 -6.566 1.00 0.00 H new ATOM 0 HG2 PRO A 50 14.212 4.244 -8.107 1.00 0.00 H new ATOM 0 HG3 PRO A 50 13.426 2.680 -8.207 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.447 5.205 -6.900 1.00 0.00 H new ATOM 0 HD3 PRO A 50 11.528 3.962 -7.726 1.00 0.00 H new ATOM 763 N GLU A 51 13.844 4.233 -3.594 1.00 0.00 N ATOM 764 CA GLU A 51 14.254 4.658 -2.260 1.00 0.00 C ATOM 765 C GLU A 51 13.240 4.214 -1.210 1.00 0.00 C ATOM 766 O GLU A 51 13.611 3.750 -0.132 1.00 0.00 O ATOM 767 CB GLU A 51 14.418 6.180 -2.218 1.00 0.00 C ATOM 768 CG GLU A 51 15.705 6.633 -1.548 1.00 0.00 C ATOM 769 CD GLU A 51 16.838 6.832 -2.536 1.00 0.00 C ATOM 770 OE1 GLU A 51 17.268 5.835 -3.154 1.00 0.00 O ATOM 771 OE2 GLU A 51 17.295 7.984 -2.691 1.00 0.00 O ATOM 0 H GLU A 51 13.658 4.998 -4.242 1.00 0.00 H new ATOM 0 HA GLU A 51 15.211 4.188 -2.033 1.00 0.00 H new ATOM 0 HB2 GLU A 51 14.391 6.569 -3.236 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.570 6.614 -1.689 1.00 0.00 H new ATOM 0 HG2 GLU A 51 15.524 7.567 -1.016 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.002 5.894 -0.804 1.00 0.00 H new ATOM 778 N GLU A 52 11.959 4.360 -1.533 1.00 0.00 N ATOM 779 CA GLU A 52 10.891 3.974 -0.618 1.00 0.00 C ATOM 780 C GLU A 52 10.826 2.457 -0.464 1.00 0.00 C ATOM 781 O GLU A 52 10.456 1.946 0.592 1.00 0.00 O ATOM 782 CB GLU A 52 9.547 4.507 -1.116 1.00 0.00 C ATOM 783 CG GLU A 52 9.453 6.023 -1.110 1.00 0.00 C ATOM 784 CD GLU A 52 8.207 6.535 -1.807 1.00 0.00 C ATOM 785 OE1 GLU A 52 7.785 5.908 -2.802 1.00 0.00 O ATOM 786 OE2 GLU A 52 7.653 7.560 -1.357 1.00 0.00 O ATOM 0 H GLU A 52 11.635 4.743 -2.421 1.00 0.00 H new ATOM 0 HA GLU A 52 11.108 4.410 0.357 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.375 4.145 -2.130 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.751 4.100 -0.493 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.460 6.379 -0.080 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.334 6.440 -1.598 1.00 0.00 H new ATOM 793 N LEU A 53 11.188 1.743 -1.525 1.00 0.00 N ATOM 794 CA LEU A 53 11.169 0.285 -1.507 1.00 0.00 C ATOM 795 C LEU A 53 12.119 -0.258 -0.445 1.00 0.00 C ATOM 796 O LEU A 53 11.877 -1.317 0.136 1.00 0.00 O ATOM 797 CB LEU A 53 11.551 -0.267 -2.881 1.00 0.00 C ATOM 798 CG LEU A 53 10.449 -0.192 -3.939 1.00 0.00 C ATOM 799 CD1 LEU A 53 11.009 -0.506 -5.317 1.00 0.00 C ATOM 800 CD2 LEU A 53 9.313 -1.143 -3.592 1.00 0.00 C ATOM 0 H LEU A 53 11.498 2.150 -2.407 1.00 0.00 H new ATOM 0 HA LEU A 53 10.157 -0.038 -1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 53 12.421 0.279 -3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.853 -1.308 -2.766 1.00 0.00 H new ATOM 0 HG LEU A 53 10.054 0.824 -3.954 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.210 -0.448 -6.056 1.00 0.00 H new ATOM 0 HD12 LEU A 53 11.788 0.215 -5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.431 -1.511 -5.318 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.537 -1.077 -4.355 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.693 -2.164 -3.548 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.893 -0.871 -2.624 1.00 0.00 H new ATOM 812 N ARG A 54 13.201 0.472 -0.196 1.00 0.00 N ATOM 813 CA ARG A 54 14.187 0.062 0.797 1.00 0.00 C ATOM 814 C ARG A 54 13.554 -0.046 2.181 1.00 0.00 C ATOM 815 O ARG A 54 13.958 -0.876 2.996 1.00 0.00 O ATOM 816 CB ARG A 54 15.351 1.056 0.831 1.00 0.00 C ATOM 817 CG ARG A 54 16.714 0.392 0.945 1.00 0.00 C ATOM 818 CD ARG A 54 17.794 1.399 1.306 1.00 0.00 C ATOM 819 NE ARG A 54 17.938 1.554 2.752 1.00 0.00 N ATOM 820 CZ ARG A 54 18.859 2.324 3.326 1.00 0.00 C ATOM 821 NH1 ARG A 54 19.718 3.011 2.583 1.00 0.00 N ATOM 822 NH2 ARG A 54 18.921 2.408 4.648 1.00 0.00 N ATOM 0 H ARG A 54 13.417 1.350 -0.668 1.00 0.00 H new ATOM 0 HA ARG A 54 14.565 -0.920 0.513 1.00 0.00 H new ATOM 0 HB2 ARG A 54 15.326 1.663 -0.074 1.00 0.00 H new ATOM 0 HB3 ARG A 54 15.215 1.734 1.673 1.00 0.00 H new ATOM 0 HG2 ARG A 54 16.677 -0.391 1.703 1.00 0.00 H new ATOM 0 HG3 ARG A 54 16.965 -0.090 0.000 1.00 0.00 H new ATOM 0 HD2 ARG A 54 18.745 1.079 0.879 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.553 2.364 0.860 1.00 0.00 H new ATOM 0 HE ARG A 54 17.295 1.042 3.356 1.00 0.00 H new ATOM 0 HH11 ARG A 54 19.675 2.951 1.566 1.00 0.00 H new ATOM 0 HH12 ARG A 54 20.422 3.599 3.029 1.00 0.00 H new ATOM 0 HH21 ARG A 54 18.263 1.883 5.224 1.00 0.00 H new ATOM 0 HH22 ARG A 54 19.627 2.998 5.089 1.00 0.00 H new ATOM 836 N VAL A 55 12.560 0.798 2.439 1.00 0.00 N ATOM 837 CA VAL A 55 11.871 0.798 3.724 1.00 0.00 C ATOM 838 C VAL A 55 11.084 -0.493 3.926 1.00 0.00 C ATOM 839 O VAL A 55 10.924 -0.964 5.052 1.00 0.00 O ATOM 840 CB VAL A 55 10.911 1.995 3.846 1.00 0.00 C ATOM 841 CG1 VAL A 55 10.353 2.092 5.258 1.00 0.00 C ATOM 842 CG2 VAL A 55 11.614 3.286 3.453 1.00 0.00 C ATOM 0 H VAL A 55 12.214 1.491 1.775 1.00 0.00 H new ATOM 0 HA VAL A 55 12.638 0.877 4.494 1.00 0.00 H new ATOM 0 HB VAL A 55 10.077 1.839 3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.677 2.944 5.324 1.00 0.00 H new ATOM 0 HG12 VAL A 55 9.810 1.178 5.498 1.00 0.00 H new ATOM 0 HG13 VAL A 55 11.172 2.223 5.965 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.920 4.121 3.546 1.00 0.00 H new ATOM 0 HG22 VAL A 55 12.468 3.450 4.110 1.00 0.00 H new ATOM 0 HG23 VAL A 55 11.959 3.213 2.421 1.00 0.00 H new ATOM 852 N ILE A 56 10.593 -1.060 2.828 1.00 0.00 N ATOM 853 CA ILE A 56 9.821 -2.295 2.887 1.00 0.00 C ATOM 854 C ILE A 56 10.719 -3.515 2.701 1.00 0.00 C ATOM 855 O ILE A 56 10.455 -4.581 3.257 1.00 0.00 O ATOM 856 CB ILE A 56 8.715 -2.319 1.816 1.00 0.00 C ATOM 857 CG1 ILE A 56 7.919 -1.013 1.845 1.00 0.00 C ATOM 858 CG2 ILE A 56 7.796 -3.513 2.030 1.00 0.00 C ATOM 859 CD1 ILE A 56 6.968 -0.859 0.679 1.00 0.00 C ATOM 0 H ILE A 56 10.716 -0.684 1.888 1.00 0.00 H new ATOM 0 HA ILE A 56 9.361 -2.332 3.874 1.00 0.00 H new ATOM 0 HB ILE A 56 9.181 -2.416 0.835 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.352 -0.963 2.775 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.614 -0.173 1.850 1.00 0.00 H new ATOM 0 HG21 ILE A 56 7.019 -3.516 1.265 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.375 -4.434 1.963 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.335 -3.445 3.015 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.438 0.089 0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.531 -0.877 -0.254 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.249 -1.679 0.685 1.00 0.00 H new ATOM 871 N GLU A 57 11.779 -3.350 1.918 1.00 0.00 N ATOM 872 CA GLU A 57 12.716 -4.437 1.661 1.00 0.00 C ATOM 873 C GLU A 57 13.349 -4.927 2.960 1.00 0.00 C ATOM 874 O GLU A 57 13.642 -6.114 3.111 1.00 0.00 O ATOM 875 CB GLU A 57 13.805 -3.979 0.686 1.00 0.00 C ATOM 876 CG GLU A 57 13.593 -4.471 -0.736 1.00 0.00 C ATOM 877 CD GLU A 57 14.863 -4.422 -1.564 1.00 0.00 C ATOM 878 OE1 GLU A 57 15.959 -4.528 -0.976 1.00 0.00 O ATOM 879 OE2 GLU A 57 14.759 -4.277 -2.801 1.00 0.00 O ATOM 0 H GLU A 57 12.011 -2.474 1.450 1.00 0.00 H new ATOM 0 HA GLU A 57 12.164 -5.264 1.214 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.844 -2.890 0.683 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.773 -4.331 1.043 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.219 -5.495 -0.711 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.826 -3.863 -1.217 1.00 0.00 H new ATOM 886 N GLU A 58 13.558 -4.005 3.893 1.00 0.00 N ATOM 887 CA GLU A 58 14.157 -4.341 5.180 1.00 0.00 C ATOM 888 C GLU A 58 13.294 -5.343 5.940 1.00 0.00 C ATOM 889 O GLU A 58 13.802 -6.148 6.721 1.00 0.00 O ATOM 890 CB GLU A 58 14.352 -3.079 6.020 1.00 0.00 C ATOM 891 CG GLU A 58 15.577 -2.268 5.628 1.00 0.00 C ATOM 892 CD GLU A 58 16.568 -2.117 6.766 1.00 0.00 C ATOM 893 OE1 GLU A 58 16.833 -3.122 7.458 1.00 0.00 O ATOM 894 OE2 GLU A 58 17.076 -0.994 6.964 1.00 0.00 O ATOM 0 H GLU A 58 13.322 -3.019 3.783 1.00 0.00 H new ATOM 0 HA GLU A 58 15.128 -4.798 4.990 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.466 -2.451 5.927 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.434 -3.361 7.070 1.00 0.00 H new ATOM 0 HG2 GLU A 58 16.071 -2.748 4.783 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.261 -1.280 5.293 1.00 0.00 H new ATOM 901 N ILE A 59 11.986 -5.288 5.708 1.00 0.00 N ATOM 902 CA ILE A 59 11.053 -6.191 6.373 1.00 0.00 C ATOM 903 C ILE A 59 10.994 -7.544 5.664 1.00 0.00 C ATOM 904 O ILE A 59 10.490 -7.643 4.545 1.00 0.00 O ATOM 905 CB ILE A 59 9.635 -5.591 6.422 1.00 0.00 C ATOM 906 CG1 ILE A 59 9.683 -4.153 6.942 1.00 0.00 C ATOM 907 CG2 ILE A 59 8.727 -6.445 7.294 1.00 0.00 C ATOM 908 CD1 ILE A 59 8.382 -3.402 6.765 1.00 0.00 C ATOM 0 H ILE A 59 11.549 -4.628 5.065 1.00 0.00 H new ATOM 0 HA ILE A 59 11.419 -6.332 7.390 1.00 0.00 H new ATOM 0 HB ILE A 59 9.228 -5.578 5.411 1.00 0.00 H new ATOM 0 HG12 ILE A 59 9.944 -4.167 8.000 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.477 -3.615 6.425 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.729 -6.007 7.318 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.671 -7.453 6.883 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.129 -6.487 8.306 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.490 -2.390 7.156 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.129 -3.357 5.706 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.588 -3.917 7.306 1.00 0.00 H new ATOM 920 N PRO A 60 11.509 -8.610 6.305 1.00 0.00 N ATOM 921 CA PRO A 60 11.507 -9.955 5.723 1.00 0.00 C ATOM 922 C PRO A 60 10.126 -10.602 5.759 1.00 0.00 C ATOM 923 O PRO A 60 9.686 -11.203 4.779 1.00 0.00 O ATOM 924 CB PRO A 60 12.481 -10.723 6.614 1.00 0.00 C ATOM 925 CG PRO A 60 12.396 -10.044 7.937 1.00 0.00 C ATOM 926 CD PRO A 60 12.132 -8.590 7.644 1.00 0.00 C ATOM 0 HA PRO A 60 11.786 -9.945 4.669 1.00 0.00 H new ATOM 0 HB2 PRO A 60 12.204 -11.775 6.690 1.00 0.00 H new ATOM 0 HB3 PRO A 60 13.495 -10.688 6.215 1.00 0.00 H new ATOM 0 HG2 PRO A 60 11.597 -10.471 8.543 1.00 0.00 H new ATOM 0 HG3 PRO A 60 13.322 -10.167 8.498 1.00 0.00 H new ATOM 0 HD2 PRO A 60 11.470 -8.146 8.387 1.00 0.00 H new ATOM 0 HD3 PRO A 60 13.053 -8.007 7.648 1.00 0.00 H new ATOM 934 N GLN A 61 9.449 -10.476 6.896 1.00 0.00 N ATOM 935 CA GLN A 61 8.120 -11.050 7.061 1.00 0.00 C ATOM 936 C GLN A 61 7.138 -10.451 6.059 1.00 0.00 C ATOM 937 O GLN A 61 7.317 -9.324 5.598 1.00 0.00 O ATOM 938 CB GLN A 61 7.615 -10.818 8.487 1.00 0.00 C ATOM 939 CG GLN A 61 8.639 -11.162 9.557 1.00 0.00 C ATOM 940 CD GLN A 61 8.162 -12.256 10.492 1.00 0.00 C ATOM 941 OE1 GLN A 61 8.537 -13.419 10.349 1.00 0.00 O ATOM 942 NE2 GLN A 61 7.329 -11.885 11.459 1.00 0.00 N ATOM 0 H GLN A 61 9.800 -9.981 7.716 1.00 0.00 H new ATOM 0 HA GLN A 61 8.190 -12.122 6.876 1.00 0.00 H new ATOM 0 HB2 GLN A 61 7.325 -9.773 8.596 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.718 -11.416 8.648 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.566 -11.477 9.079 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.867 -10.268 10.137 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.044 -10.909 11.540 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.974 -12.576 12.120 1.00 0.00 H new ATOM 951 N ALA A 62 6.101 -11.214 5.726 1.00 0.00 N ATOM 952 CA ALA A 62 5.091 -10.759 4.778 1.00 0.00 C ATOM 953 C ALA A 62 4.022 -9.925 5.476 1.00 0.00 C ATOM 954 O ALA A 62 3.596 -8.889 4.964 1.00 0.00 O ATOM 955 CB ALA A 62 4.457 -11.948 4.073 1.00 0.00 C ATOM 0 H ALA A 62 5.939 -12.149 6.099 1.00 0.00 H new ATOM 0 HA ALA A 62 5.581 -10.129 4.036 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.705 -11.594 3.368 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.225 -12.504 3.535 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.986 -12.599 4.810 1.00 0.00 H new ATOM 961 N GLU A 63 3.593 -10.381 6.648 1.00 0.00 N ATOM 962 CA GLU A 63 2.573 -9.676 7.416 1.00 0.00 C ATOM 963 C GLU A 63 3.035 -8.264 7.764 1.00 0.00 C ATOM 964 O GLU A 63 2.292 -7.298 7.595 1.00 0.00 O ATOM 965 CB GLU A 63 2.242 -10.450 8.695 1.00 0.00 C ATOM 966 CG GLU A 63 0.912 -11.183 8.633 1.00 0.00 C ATOM 967 CD GLU A 63 1.052 -12.604 8.125 1.00 0.00 C ATOM 968 OE1 GLU A 63 1.857 -12.825 7.195 1.00 0.00 O ATOM 969 OE2 GLU A 63 0.358 -13.496 8.656 1.00 0.00 O ATOM 0 H GLU A 63 3.936 -11.236 7.087 1.00 0.00 H new ATOM 0 HA GLU A 63 1.675 -9.603 6.803 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.036 -11.171 8.890 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.227 -9.757 9.536 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.464 -11.199 9.626 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.229 -10.635 7.984 1.00 0.00 H new ATOM 976 N ASP A 64 4.268 -8.153 8.248 1.00 0.00 N ATOM 977 CA ASP A 64 4.830 -6.859 8.619 1.00 0.00 C ATOM 978 C ASP A 64 5.098 -6.007 7.382 1.00 0.00 C ATOM 979 O ASP A 64 5.058 -4.778 7.442 1.00 0.00 O ATOM 980 CB ASP A 64 6.123 -7.050 9.411 1.00 0.00 C ATOM 981 CG ASP A 64 6.565 -5.780 10.112 1.00 0.00 C ATOM 982 OD1 ASP A 64 5.856 -5.337 11.039 1.00 0.00 O ATOM 983 OD2 ASP A 64 7.620 -5.229 9.733 1.00 0.00 O ATOM 0 H ASP A 64 4.897 -8.943 8.392 1.00 0.00 H new ATOM 0 HA ASP A 64 4.103 -6.341 9.244 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.980 -7.839 10.150 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.912 -7.384 8.737 1.00 0.00 H new ATOM 988 N LYS A 65 5.369 -6.669 6.260 1.00 0.00 N ATOM 989 CA LYS A 65 5.644 -5.971 5.008 1.00 0.00 C ATOM 990 C LYS A 65 4.474 -5.075 4.615 1.00 0.00 C ATOM 991 O LYS A 65 4.660 -3.905 4.281 1.00 0.00 O ATOM 992 CB LYS A 65 5.930 -6.979 3.892 1.00 0.00 C ATOM 993 CG LYS A 65 7.176 -6.655 3.085 1.00 0.00 C ATOM 994 CD LYS A 65 7.695 -7.878 2.346 1.00 0.00 C ATOM 995 CE LYS A 65 9.170 -7.739 2.000 1.00 0.00 C ATOM 996 NZ LYS A 65 9.386 -7.600 0.534 1.00 0.00 N ATOM 0 H LYS A 65 5.404 -7.686 6.193 1.00 0.00 H new ATOM 0 HA LYS A 65 6.523 -5.343 5.155 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.038 -7.972 4.329 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.072 -7.018 3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.952 -5.864 2.369 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.952 -6.273 3.749 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.547 -8.766 2.961 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.119 -8.024 1.432 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.582 -6.869 2.512 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.712 -8.611 2.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.404 -7.508 0.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.016 -8.441 0.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.890 -6.754 0.189 1.00 0.00 H new ATOM 1010 N LEU A 66 3.268 -5.631 4.661 1.00 0.00 N ATOM 1011 CA LEU A 66 2.067 -4.882 4.310 1.00 0.00 C ATOM 1012 C LEU A 66 1.895 -3.671 5.223 1.00 0.00 C ATOM 1013 O LEU A 66 1.364 -2.640 4.810 1.00 0.00 O ATOM 1014 CB LEU A 66 0.833 -5.782 4.401 1.00 0.00 C ATOM 1015 CG LEU A 66 -0.324 -5.391 3.480 1.00 0.00 C ATOM 1016 CD1 LEU A 66 0.069 -5.573 2.022 1.00 0.00 C ATOM 1017 CD2 LEU A 66 -1.564 -6.210 3.806 1.00 0.00 C ATOM 0 H LEU A 66 3.096 -6.598 4.938 1.00 0.00 H new ATOM 0 HA LEU A 66 2.176 -4.530 3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.131 -6.805 4.171 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.475 -5.778 5.430 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.554 -4.338 3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.767 -5.290 1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.929 -4.943 1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.326 -6.617 1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.377 -5.919 3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.346 -7.269 3.671 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.858 -6.029 4.840 1.00 0.00 H new ATOM 1029 N ASP A 67 2.349 -3.805 6.465 1.00 0.00 N ATOM 1030 CA ASP A 67 2.246 -2.721 7.436 1.00 0.00 C ATOM 1031 C ASP A 67 2.984 -1.479 6.947 1.00 0.00 C ATOM 1032 O ASP A 67 2.590 -0.352 7.247 1.00 0.00 O ATOM 1033 CB ASP A 67 2.810 -3.165 8.787 1.00 0.00 C ATOM 1034 CG ASP A 67 2.461 -2.201 9.904 1.00 0.00 C ATOM 1035 OD1 ASP A 67 1.286 -2.184 10.329 1.00 0.00 O ATOM 1036 OD2 ASP A 67 3.362 -1.462 10.354 1.00 0.00 O ATOM 0 H ASP A 67 2.791 -4.652 6.823 1.00 0.00 H new ATOM 0 HA ASP A 67 1.192 -2.471 7.554 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.424 -4.155 9.031 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.894 -3.255 8.713 1.00 0.00 H new ATOM 1041 N ARG A 68 4.056 -1.694 6.192 1.00 0.00 N ATOM 1042 CA ARG A 68 4.849 -0.591 5.659 1.00 0.00 C ATOM 1043 C ARG A 68 4.310 -0.135 4.308 1.00 0.00 C ATOM 1044 O ARG A 68 4.401 1.040 3.956 1.00 0.00 O ATOM 1045 CB ARG A 68 6.315 -1.009 5.522 1.00 0.00 C ATOM 1046 CG ARG A 68 7.297 0.122 5.780 1.00 0.00 C ATOM 1047 CD ARG A 68 7.855 0.064 7.193 1.00 0.00 C ATOM 1048 NE ARG A 68 7.190 1.014 8.083 1.00 0.00 N ATOM 1049 CZ ARG A 68 7.317 1.002 9.407 1.00 0.00 C ATOM 1050 NH1 ARG A 68 8.083 0.094 10.000 1.00 0.00 N ATOM 1051 NH2 ARG A 68 6.677 1.901 10.143 1.00 0.00 N ATOM 0 H ARG A 68 4.396 -2.621 5.935 1.00 0.00 H new ATOM 0 HA ARG A 68 4.779 0.243 6.357 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.519 -1.822 6.219 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.480 -1.401 4.518 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.115 0.066 5.062 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.800 1.079 5.623 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.739 -0.945 7.588 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.924 0.276 7.170 1.00 0.00 H new ATOM 0 HE ARG A 68 6.594 1.728 7.664 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.578 -0.600 9.440 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.176 0.090 11.016 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.087 2.602 9.694 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.774 1.892 11.158 1.00 0.00 H new ATOM 1065 N LEU A 69 3.749 -1.075 3.553 1.00 0.00 N ATOM 1066 CA LEU A 69 3.196 -0.771 2.238 1.00 0.00 C ATOM 1067 C LEU A 69 2.085 0.269 2.342 1.00 0.00 C ATOM 1068 O LEU A 69 2.025 1.208 1.549 1.00 0.00 O ATOM 1069 CB LEU A 69 2.659 -2.045 1.582 1.00 0.00 C ATOM 1070 CG LEU A 69 2.234 -1.891 0.121 1.00 0.00 C ATOM 1071 CD1 LEU A 69 3.450 -1.678 -0.768 1.00 0.00 C ATOM 1072 CD2 LEU A 69 1.443 -3.107 -0.334 1.00 0.00 C ATOM 0 H LEU A 69 3.666 -2.053 3.830 1.00 0.00 H new ATOM 0 HA LEU A 69 3.995 -0.361 1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.426 -2.817 1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.804 -2.399 2.158 1.00 0.00 H new ATOM 0 HG LEU A 69 1.592 -1.014 0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.129 -1.570 -1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.976 -0.776 -0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.118 -2.535 -0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.149 -2.981 -1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.061 -4.000 -0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.552 -3.214 0.284 1.00 0.00 H new ATOM 1084 N PHE A 70 1.208 0.095 3.325 1.00 0.00 N ATOM 1085 CA PHE A 70 0.098 1.019 3.531 1.00 0.00 C ATOM 1086 C PHE A 70 0.584 2.325 4.151 1.00 0.00 C ATOM 1087 O PHE A 70 -0.024 3.378 3.958 1.00 0.00 O ATOM 1088 CB PHE A 70 -0.965 0.380 4.428 1.00 0.00 C ATOM 1089 CG PHE A 70 -1.909 -0.523 3.687 1.00 0.00 C ATOM 1090 CD1 PHE A 70 -1.431 -1.596 2.953 1.00 0.00 C ATOM 1091 CD2 PHE A 70 -3.277 -0.299 3.727 1.00 0.00 C ATOM 1092 CE1 PHE A 70 -2.297 -2.428 2.271 1.00 0.00 C ATOM 1093 CE2 PHE A 70 -4.148 -1.128 3.047 1.00 0.00 C ATOM 1094 CZ PHE A 70 -3.658 -2.195 2.317 1.00 0.00 C ATOM 0 H PHE A 70 1.244 -0.677 3.991 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.342 1.241 2.559 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.471 -0.191 5.214 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.537 1.168 4.918 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.368 -1.784 2.914 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -3.666 0.533 4.296 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.910 -3.261 1.702 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.211 -0.943 3.086 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.337 -2.844 1.784 1.00 0.00 H new ATOM 1104 N GLU A 71 1.680 2.252 4.900 1.00 0.00 N ATOM 1105 CA GLU A 71 2.244 3.430 5.548 1.00 0.00 C ATOM 1106 C GLU A 71 2.739 4.438 4.514 1.00 0.00 C ATOM 1107 O GLU A 71 2.620 5.648 4.706 1.00 0.00 O ATOM 1108 CB GLU A 71 3.393 3.026 6.474 1.00 0.00 C ATOM 1109 CG GLU A 71 3.397 3.771 7.800 1.00 0.00 C ATOM 1110 CD GLU A 71 2.540 3.093 8.851 1.00 0.00 C ATOM 1111 OE1 GLU A 71 1.350 2.833 8.571 1.00 0.00 O ATOM 1112 OE2 GLU A 71 3.058 2.824 9.955 1.00 0.00 O ATOM 0 H GLU A 71 2.195 1.389 5.073 1.00 0.00 H new ATOM 0 HA GLU A 71 1.458 3.900 6.138 1.00 0.00 H new ATOM 0 HB2 GLU A 71 3.332 1.955 6.669 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.340 3.204 5.964 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.421 3.849 8.166 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.037 4.788 7.643 1.00 0.00 H new ATOM 1119 N ILE A 72 3.294 3.930 3.419 1.00 0.00 N ATOM 1120 CA ILE A 72 3.808 4.787 2.355 1.00 0.00 C ATOM 1121 C ILE A 72 2.690 5.235 1.420 1.00 0.00 C ATOM 1122 O ILE A 72 2.499 6.430 1.195 1.00 0.00 O ATOM 1123 CB ILE A 72 4.894 4.068 1.531 1.00 0.00 C ATOM 1124 CG1 ILE A 72 5.939 3.443 2.457 1.00 0.00 C ATOM 1125 CG2 ILE A 72 5.551 5.039 0.561 1.00 0.00 C ATOM 1126 CD1 ILE A 72 6.872 2.481 1.753 1.00 0.00 C ATOM 0 H ILE A 72 3.400 2.931 3.244 1.00 0.00 H new ATOM 0 HA ILE A 72 4.246 5.661 2.837 1.00 0.00 H new ATOM 0 HB ILE A 72 4.424 3.271 0.955 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.528 4.237 2.916 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.429 2.917 3.264 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.316 4.517 -0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.798 5.441 -0.117 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.010 5.855 1.118 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.586 2.076 2.470 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.294 1.666 1.317 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.409 3.007 0.964 1.00 0.00 H new ATOM 1138 N ILE A 73 1.956 4.270 0.875 1.00 0.00 N ATOM 1139 CA ILE A 73 0.858 4.568 -0.037 1.00 0.00 C ATOM 1140 C ILE A 73 -0.282 5.278 0.687 1.00 0.00 C ATOM 1141 O ILE A 73 -1.016 6.063 0.087 1.00 0.00 O ATOM 1142 CB ILE A 73 0.314 3.287 -0.700 1.00 0.00 C ATOM 1143 CG1 ILE A 73 1.457 2.485 -1.324 1.00 0.00 C ATOM 1144 CG2 ILE A 73 -0.732 3.635 -1.750 1.00 0.00 C ATOM 1145 CD1 ILE A 73 1.005 1.192 -1.970 1.00 0.00 C ATOM 0 H ILE A 73 2.102 3.276 1.049 1.00 0.00 H new ATOM 0 HA ILE A 73 1.258 5.225 -0.809 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.160 2.673 0.066 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.956 3.101 -2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.194 2.259 -0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.106 2.720 -2.209 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.558 4.168 -1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.282 4.267 -2.516 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.867 0.675 -2.392 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.532 0.557 -1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.290 1.412 -2.763 1.00 0.00 H new ATOM 1157 N GLY A 74 -0.424 4.997 1.977 1.00 0.00 N ATOM 1158 CA GLY A 74 -1.478 5.617 2.759 1.00 0.00 C ATOM 1159 C GLY A 74 -1.377 7.131 2.776 1.00 0.00 C ATOM 1160 O GLY A 74 -2.382 7.824 2.929 1.00 0.00 O ATOM 0 H GLY A 74 0.171 4.351 2.496 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.447 5.326 2.353 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.435 5.242 3.782 1.00 0.00 H new ATOM 1164 N VAL A 75 -0.161 7.644 2.617 1.00 0.00 N ATOM 1165 CA VAL A 75 0.068 9.083 2.615 1.00 0.00 C ATOM 1166 C VAL A 75 0.695 9.540 1.302 1.00 0.00 C ATOM 1167 O VAL A 75 1.492 10.478 1.275 1.00 0.00 O ATOM 1168 CB VAL A 75 0.978 9.510 3.782 1.00 0.00 C ATOM 1169 CG1 VAL A 75 0.255 9.355 5.110 1.00 0.00 C ATOM 1170 CG2 VAL A 75 2.269 8.707 3.772 1.00 0.00 C ATOM 0 H VAL A 75 0.681 7.083 2.488 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.907 9.557 2.733 1.00 0.00 H new ATOM 0 HB VAL A 75 1.230 10.563 3.655 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.915 9.662 5.922 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.638 9.979 5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.031 8.312 5.249 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.900 9.022 4.603 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.039 7.646 3.873 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.795 8.876 2.833 1.00 0.00 H new ATOM 1180 N LYS A 76 0.331 8.870 0.213 1.00 0.00 N ATOM 1181 CA LYS A 76 0.858 9.207 -1.104 1.00 0.00 C ATOM 1182 C LYS A 76 -0.192 9.926 -1.943 1.00 0.00 C ATOM 1183 O LYS A 76 -0.060 11.114 -2.239 1.00 0.00 O ATOM 1184 CB LYS A 76 1.330 7.944 -1.827 1.00 0.00 C ATOM 1185 CG LYS A 76 2.609 8.142 -2.624 1.00 0.00 C ATOM 1186 CD LYS A 76 2.728 7.124 -3.747 1.00 0.00 C ATOM 1187 CE LYS A 76 3.027 5.734 -3.208 1.00 0.00 C ATOM 1188 NZ LYS A 76 3.116 4.724 -4.299 1.00 0.00 N ATOM 0 H LYS A 76 -0.327 8.091 0.217 1.00 0.00 H new ATOM 0 HA LYS A 76 1.707 9.877 -0.967 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.487 7.153 -1.094 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.542 7.604 -2.499 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.627 9.149 -3.041 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.470 8.056 -1.961 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.801 7.102 -4.320 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.519 7.428 -4.433 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.965 5.753 -2.654 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.247 5.441 -2.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.864 3.787 -3.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.459 4.980 -5.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.087 4.699 -4.671 1.00 0.00 H new ATOM 1202 N SER A 77 -1.236 9.196 -2.325 1.00 0.00 N ATOM 1203 CA SER A 77 -2.310 9.764 -3.131 1.00 0.00 C ATOM 1204 C SER A 77 -3.483 8.794 -3.236 1.00 0.00 C ATOM 1205 O SER A 77 -3.324 7.589 -3.044 1.00 0.00 O ATOM 1206 CB SER A 77 -1.798 10.115 -4.530 1.00 0.00 C ATOM 1207 OG SER A 77 -2.384 11.314 -5.002 1.00 0.00 O ATOM 0 H SER A 77 -1.360 8.211 -2.089 1.00 0.00 H new ATOM 0 HA SER A 77 -2.655 10.674 -2.640 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.713 10.221 -4.507 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.024 9.301 -5.218 1.00 0.00 H new ATOM 0 HG SER A 77 -2.039 11.517 -5.897 1.00 0.00 H new ATOM 1213 N GLN A 78 -4.660 9.329 -3.539 1.00 0.00 N ATOM 1214 CA GLN A 78 -5.862 8.513 -3.670 1.00 0.00 C ATOM 1215 C GLN A 78 -5.756 7.566 -4.863 1.00 0.00 C ATOM 1216 O GLN A 78 -6.437 6.541 -4.916 1.00 0.00 O ATOM 1217 CB GLN A 78 -7.095 9.405 -3.820 1.00 0.00 C ATOM 1218 CG GLN A 78 -8.409 8.657 -3.666 1.00 0.00 C ATOM 1219 CD GLN A 78 -9.610 9.583 -3.668 1.00 0.00 C ATOM 1220 OE1 GLN A 78 -9.743 10.448 -2.802 1.00 0.00 O ATOM 1221 NE2 GLN A 78 -10.493 9.405 -4.644 1.00 0.00 N ATOM 0 H GLN A 78 -4.808 10.325 -3.699 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.962 7.914 -2.765 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -7.050 10.201 -3.076 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.071 9.882 -4.800 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.510 7.936 -4.477 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -8.393 8.090 -2.735 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.343 8.676 -5.341 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -11.321 9.998 -4.697 1.00 0.00 H new ATOM 1230 N GLU A 79 -4.903 7.916 -5.821 1.00 0.00 N ATOM 1231 CA GLU A 79 -4.713 7.096 -7.013 1.00 0.00 C ATOM 1232 C GLU A 79 -4.157 5.722 -6.651 1.00 0.00 C ATOM 1233 O GLU A 79 -4.415 4.736 -7.341 1.00 0.00 O ATOM 1234 CB GLU A 79 -3.774 7.800 -7.995 1.00 0.00 C ATOM 1235 CG GLU A 79 -4.479 8.349 -9.225 1.00 0.00 C ATOM 1236 CD GLU A 79 -3.539 8.536 -10.400 1.00 0.00 C ATOM 1237 OE1 GLU A 79 -2.868 7.556 -10.786 1.00 0.00 O ATOM 1238 OE2 GLU A 79 -3.474 9.663 -10.935 1.00 0.00 O ATOM 0 H GLU A 79 -4.333 8.761 -5.795 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.685 6.957 -7.486 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.270 8.618 -7.480 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.002 7.099 -8.312 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.283 7.671 -9.512 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.941 9.305 -8.978 1.00 0.00 H new ATOM 1245 N ALA A 80 -3.390 5.664 -5.566 1.00 0.00 N ATOM 1246 CA ALA A 80 -2.796 4.410 -5.118 1.00 0.00 C ATOM 1247 C ALA A 80 -3.508 3.870 -3.881 1.00 0.00 C ATOM 1248 O ALA A 80 -3.618 2.658 -3.697 1.00 0.00 O ATOM 1249 CB ALA A 80 -1.314 4.601 -4.834 1.00 0.00 C ATOM 0 H ALA A 80 -3.166 6.470 -4.982 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.912 3.678 -5.917 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.883 3.657 -4.500 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.809 4.930 -5.742 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.187 5.353 -4.056 1.00 0.00 H new ATOM 1255 N SER A 81 -3.987 4.776 -3.035 1.00 0.00 N ATOM 1256 CA SER A 81 -4.684 4.387 -1.815 1.00 0.00 C ATOM 1257 C SER A 81 -5.937 3.576 -2.135 1.00 0.00 C ATOM 1258 O SER A 81 -6.130 2.482 -1.608 1.00 0.00 O ATOM 1259 CB SER A 81 -5.060 5.626 -1.000 1.00 0.00 C ATOM 1260 OG SER A 81 -5.963 5.297 0.042 1.00 0.00 O ATOM 0 H SER A 81 -3.905 5.783 -3.172 1.00 0.00 H new ATOM 0 HA SER A 81 -4.011 3.763 -1.227 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.160 6.074 -0.578 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.511 6.372 -1.654 1.00 0.00 H new ATOM 0 HG SER A 81 -6.846 5.673 -0.159 1.00 0.00 H new ATOM 1266 N GLN A 82 -6.784 4.123 -3.002 1.00 0.00 N ATOM 1267 CA GLN A 82 -8.019 3.450 -3.392 1.00 0.00 C ATOM 1268 C GLN A 82 -7.727 2.089 -4.015 1.00 0.00 C ATOM 1269 O GLN A 82 -8.452 1.121 -3.781 1.00 0.00 O ATOM 1270 CB GLN A 82 -8.806 4.317 -4.376 1.00 0.00 C ATOM 1271 CG GLN A 82 -10.213 3.806 -4.645 1.00 0.00 C ATOM 1272 CD GLN A 82 -11.021 3.627 -3.375 1.00 0.00 C ATOM 1273 OE1 GLN A 82 -11.306 4.593 -2.666 1.00 0.00 O ATOM 1274 NE2 GLN A 82 -11.393 2.387 -3.080 1.00 0.00 N ATOM 0 H GLN A 82 -6.638 5.029 -3.447 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.617 3.295 -2.494 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.866 5.333 -3.985 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.261 4.369 -5.318 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.729 4.504 -5.304 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.155 2.853 -5.172 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -11.134 1.617 -3.697 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -11.937 2.205 -2.237 1.00 0.00 H new ATOM 1283 N THR A 83 -6.663 2.021 -4.808 1.00 0.00 N ATOM 1284 CA THR A 83 -6.278 0.778 -5.464 1.00 0.00 C ATOM 1285 C THR A 83 -5.598 -0.171 -4.482 1.00 0.00 C ATOM 1286 O THR A 83 -5.724 -1.390 -4.591 1.00 0.00 O ATOM 1287 CB THR A 83 -5.344 1.066 -6.640 1.00 0.00 C ATOM 1288 OG1 THR A 83 -5.530 2.387 -7.116 1.00 0.00 O ATOM 1289 CG2 THR A 83 -5.543 0.125 -7.809 1.00 0.00 C ATOM 0 H THR A 83 -6.052 2.812 -5.012 1.00 0.00 H new ATOM 0 HA THR A 83 -7.184 0.299 -5.835 1.00 0.00 H new ATOM 0 HB THR A 83 -4.337 0.925 -6.249 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.722 2.914 -6.943 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.849 0.386 -8.608 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.358 -0.900 -7.487 1.00 0.00 H new ATOM 0 HG23 THR A 83 -6.566 0.211 -8.175 1.00 0.00 H new ATOM 1297 N LEU A 84 -4.876 0.398 -3.521 1.00 0.00 N ATOM 1298 CA LEU A 84 -4.175 -0.396 -2.519 1.00 0.00 C ATOM 1299 C LEU A 84 -5.148 -1.259 -1.723 1.00 0.00 C ATOM 1300 O LEU A 84 -4.781 -2.320 -1.218 1.00 0.00 O ATOM 1301 CB LEU A 84 -3.393 0.517 -1.572 1.00 0.00 C ATOM 1302 CG LEU A 84 -2.674 -0.200 -0.428 1.00 0.00 C ATOM 1303 CD1 LEU A 84 -1.594 -1.125 -0.970 1.00 0.00 C ATOM 1304 CD2 LEU A 84 -2.077 0.811 0.541 1.00 0.00 C ATOM 0 H LEU A 84 -4.762 1.406 -3.416 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.479 -1.055 -3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.656 1.072 -2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.080 1.248 -1.147 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.403 -0.805 0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.094 -1.626 -0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.048 -1.870 -1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.866 -0.543 -1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.569 0.284 1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.362 1.442 0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.872 1.431 0.955 1.00 0.00 H new ATOM 1316 N LEU A 85 -6.390 -0.799 -1.612 1.00 0.00 N ATOM 1317 CA LEU A 85 -7.414 -1.532 -0.874 1.00 0.00 C ATOM 1318 C LEU A 85 -8.167 -2.493 -1.789 1.00 0.00 C ATOM 1319 O LEU A 85 -8.652 -3.534 -1.345 1.00 0.00 O ATOM 1320 CB LEU A 85 -8.396 -0.557 -0.221 1.00 0.00 C ATOM 1321 CG LEU A 85 -7.750 0.590 0.558 1.00 0.00 C ATOM 1322 CD1 LEU A 85 -8.770 1.679 0.849 1.00 0.00 C ATOM 1323 CD2 LEU A 85 -7.134 0.074 1.851 1.00 0.00 C ATOM 0 H LEU A 85 -6.712 0.077 -2.023 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.918 -2.115 -0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.034 -0.134 -0.997 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.043 -1.116 0.455 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.957 1.019 -0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.292 2.486 1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.165 2.068 -0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.585 1.265 1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.679 0.903 2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.910 -0.380 2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.372 -0.670 1.619 1.00 0.00 H new ATOM 1335 N ASP A 86 -8.264 -2.137 -3.064 1.00 0.00 N ATOM 1336 CA ASP A 86 -8.961 -2.969 -4.038 1.00 0.00 C ATOM 1337 C ASP A 86 -8.064 -4.099 -4.534 1.00 0.00 C ATOM 1338 O ASP A 86 -8.534 -5.204 -4.805 1.00 0.00 O ATOM 1339 CB ASP A 86 -9.432 -2.121 -5.221 1.00 0.00 C ATOM 1340 CG ASP A 86 -10.783 -1.479 -4.970 1.00 0.00 C ATOM 1341 OD1 ASP A 86 -11.032 -1.047 -3.825 1.00 0.00 O ATOM 1342 OD2 ASP A 86 -11.592 -1.410 -5.919 1.00 0.00 O ATOM 0 H ASP A 86 -7.869 -1.278 -3.448 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.828 -3.409 -3.545 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.695 -1.344 -5.424 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -9.489 -2.746 -6.112 1.00 0.00 H new ATOM 1347 N SER A 87 -6.771 -3.815 -4.654 1.00 0.00 N ATOM 1348 CA SER A 87 -5.809 -4.808 -5.122 1.00 0.00 C ATOM 1349 C SER A 87 -5.822 -6.047 -4.233 1.00 0.00 C ATOM 1350 O SER A 87 -5.760 -7.175 -4.723 1.00 0.00 O ATOM 1351 CB SER A 87 -4.403 -4.208 -5.156 1.00 0.00 C ATOM 1352 OG SER A 87 -3.667 -4.696 -6.265 1.00 0.00 O ATOM 0 H SER A 87 -6.365 -2.906 -4.434 1.00 0.00 H new ATOM 0 HA SER A 87 -6.097 -5.106 -6.130 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.469 -3.121 -5.209 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.878 -4.451 -4.232 1.00 0.00 H new ATOM 0 HG SER A 87 -2.772 -4.296 -6.265 1.00 0.00 H new ATOM 1358 N VAL A 88 -5.904 -5.833 -2.923 1.00 0.00 N ATOM 1359 CA VAL A 88 -5.925 -6.935 -1.968 1.00 0.00 C ATOM 1360 C VAL A 88 -7.075 -7.893 -2.259 1.00 0.00 C ATOM 1361 O VAL A 88 -6.878 -9.105 -2.346 1.00 0.00 O ATOM 1362 CB VAL A 88 -6.052 -6.422 -0.520 1.00 0.00 C ATOM 1363 CG1 VAL A 88 -5.904 -7.569 0.469 1.00 0.00 C ATOM 1364 CG2 VAL A 88 -5.022 -5.337 -0.246 1.00 0.00 C ATOM 0 H VAL A 88 -5.957 -4.907 -2.499 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.979 -7.465 -2.076 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.045 -5.990 -0.393 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.997 -7.187 1.486 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.683 -8.309 0.287 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.926 -8.034 0.344 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.127 -4.987 0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.020 -5.741 -0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.180 -4.504 -0.931 1.00 0.00 H new ATOM 1374 N TYR A 89 -8.275 -7.342 -2.409 1.00 0.00 N ATOM 1375 CA TYR A 89 -9.456 -8.149 -2.692 1.00 0.00 C ATOM 1376 C TYR A 89 -9.441 -8.651 -4.132 1.00 0.00 C ATOM 1377 O TYR A 89 -9.986 -9.713 -4.435 1.00 0.00 O ATOM 1378 CB TYR A 89 -10.727 -7.336 -2.435 1.00 0.00 C ATOM 1379 CG TYR A 89 -10.855 -6.849 -1.008 1.00 0.00 C ATOM 1380 CD1 TYR A 89 -10.850 -7.743 0.054 1.00 0.00 C ATOM 1381 CD2 TYR A 89 -10.981 -5.494 -0.727 1.00 0.00 C ATOM 1382 CE1 TYR A 89 -10.967 -7.301 1.359 1.00 0.00 C ATOM 1383 CE2 TYR A 89 -11.097 -5.045 0.575 1.00 0.00 C ATOM 1384 CZ TYR A 89 -11.090 -5.953 1.614 1.00 0.00 C ATOM 1385 OH TYR A 89 -11.206 -5.508 2.911 1.00 0.00 O ATOM 0 H TYR A 89 -8.455 -6.340 -2.339 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.444 -9.012 -2.027 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -10.741 -6.477 -3.106 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -11.595 -7.947 -2.681 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -10.753 -8.801 -0.142 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -10.988 -4.781 -1.538 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -10.962 -8.009 2.174 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -11.193 -3.989 0.778 1.00 0.00 H new ATOM 0 HH TYR A 89 -11.283 -4.531 2.916 1.00 0.00 H new ATOM 1395 N SER A 90 -8.814 -7.882 -5.017 1.00 0.00 N ATOM 1396 CA SER A 90 -8.729 -8.250 -6.425 1.00 0.00 C ATOM 1397 C SER A 90 -7.757 -9.408 -6.628 1.00 0.00 C ATOM 1398 O SER A 90 -7.999 -10.299 -7.442 1.00 0.00 O ATOM 1399 CB SER A 90 -8.289 -7.046 -7.262 1.00 0.00 C ATOM 1400 OG SER A 90 -9.393 -6.458 -7.928 1.00 0.00 O ATOM 0 H SER A 90 -8.358 -7.000 -4.783 1.00 0.00 H new ATOM 0 HA SER A 90 -9.719 -8.570 -6.752 1.00 0.00 H new ATOM 0 HB2 SER A 90 -7.812 -6.306 -6.619 1.00 0.00 H new ATOM 0 HB3 SER A 90 -7.544 -7.360 -7.993 1.00 0.00 H new ATOM 0 HG SER A 90 -9.086 -5.690 -8.454 1.00 0.00 H new ATOM 1406 N HIS A 91 -6.656 -9.389 -5.884 1.00 0.00 N ATOM 1407 CA HIS A 91 -5.648 -10.437 -5.983 1.00 0.00 C ATOM 1408 C HIS A 91 -6.025 -11.641 -5.124 1.00 0.00 C ATOM 1409 O HIS A 91 -5.739 -12.784 -5.481 1.00 0.00 O ATOM 1410 CB HIS A 91 -4.281 -9.901 -5.557 1.00 0.00 C ATOM 1411 CG HIS A 91 -3.646 -9.004 -6.574 1.00 0.00 C ATOM 1412 ND1 HIS A 91 -3.428 -9.364 -7.886 1.00 0.00 N ATOM 1413 CD2 HIS A 91 -3.180 -7.735 -6.452 1.00 0.00 C ATOM 1414 CE1 HIS A 91 -2.847 -8.327 -8.505 1.00 0.00 C ATOM 1415 NE2 HIS A 91 -2.676 -7.313 -7.680 1.00 0.00 N ATOM 0 H HIS A 91 -6.440 -8.659 -5.206 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.597 -10.758 -7.023 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -4.390 -9.354 -4.620 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -3.616 -10.742 -5.360 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -3.666 -10.260 -8.311 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -3.197 -7.146 -5.547 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.556 -8.323 -9.545 1.00 0.00 H new ATOM 1423 N LEU A 92 -6.668 -11.376 -3.992 1.00 0.00 N ATOM 1424 CA LEU A 92 -7.083 -12.438 -3.082 1.00 0.00 C ATOM 1425 C LEU A 92 -8.597 -12.629 -3.123 1.00 0.00 C ATOM 1426 O LEU A 92 -9.329 -12.022 -2.340 1.00 0.00 O ATOM 1427 CB LEU A 92 -6.635 -12.119 -1.654 1.00 0.00 C ATOM 1428 CG LEU A 92 -5.123 -12.154 -1.427 1.00 0.00 C ATOM 1429 CD1 LEU A 92 -4.708 -11.090 -0.424 1.00 0.00 C ATOM 1430 CD2 LEU A 92 -4.687 -13.534 -0.954 1.00 0.00 C ATOM 0 H LEU A 92 -6.913 -10.436 -3.683 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.609 -13.365 -3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -7.004 -11.129 -1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -7.106 -12.830 -0.975 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.628 -11.942 -2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -3.629 -11.131 -0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.985 -10.106 -0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -5.212 -11.269 0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.608 -13.541 -0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -5.191 -13.774 -0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.949 -14.277 -1.708 1.00 0.00 H new ATOM 1442 N PRO A 93 -9.089 -13.481 -4.040 1.00 0.00 N ATOM 1443 CA PRO A 93 -10.525 -13.750 -4.178 1.00 0.00 C ATOM 1444 C PRO A 93 -11.091 -14.534 -2.996 1.00 0.00 C ATOM 1445 O PRO A 93 -12.306 -14.668 -2.856 1.00 0.00 O ATOM 1446 CB PRO A 93 -10.610 -14.582 -5.459 1.00 0.00 C ATOM 1447 CG PRO A 93 -9.274 -15.228 -5.581 1.00 0.00 C ATOM 1448 CD PRO A 93 -8.287 -14.246 -5.013 1.00 0.00 C ATOM 0 HA PRO A 93 -11.107 -12.829 -4.210 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -11.405 -15.325 -5.396 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -10.827 -13.956 -6.324 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.245 -16.171 -5.035 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.044 -15.455 -6.622 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.448 -14.751 -4.534 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.871 -13.601 -5.787 1.00 0.00 H new ATOM 1456 N ASP A 94 -10.206 -15.051 -2.149 1.00 0.00 N ATOM 1457 CA ASP A 94 -10.625 -15.820 -0.982 1.00 0.00 C ATOM 1458 C ASP A 94 -11.084 -14.898 0.144 1.00 0.00 C ATOM 1459 O ASP A 94 -11.921 -15.274 0.965 1.00 0.00 O ATOM 1460 CB ASP A 94 -9.479 -16.711 -0.496 1.00 0.00 C ATOM 1461 CG ASP A 94 -9.907 -18.154 -0.311 1.00 0.00 C ATOM 1462 OD1 ASP A 94 -10.201 -18.820 -1.326 1.00 0.00 O ATOM 1463 OD2 ASP A 94 -9.948 -18.617 0.847 1.00 0.00 O ATOM 0 H ASP A 94 -9.196 -14.952 -2.249 1.00 0.00 H new ATOM 0 HA ASP A 94 -11.466 -16.449 -1.274 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.659 -16.667 -1.213 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.097 -16.324 0.449 1.00 0.00 H new ATOM 1468 N LEU A 95 -10.531 -13.689 0.177 1.00 0.00 N ATOM 1469 CA LEU A 95 -10.884 -12.715 1.204 1.00 0.00 C ATOM 1470 C LEU A 95 -12.379 -12.410 1.180 1.00 0.00 C ATOM 1471 O LEU A 95 -12.992 -12.183 2.224 1.00 0.00 O ATOM 1472 CB LEU A 95 -10.086 -11.424 1.007 1.00 0.00 C ATOM 1473 CG LEU A 95 -8.593 -11.532 1.319 1.00 0.00 C ATOM 1474 CD1 LEU A 95 -7.902 -10.197 1.095 1.00 0.00 C ATOM 1475 CD2 LEU A 95 -8.382 -12.011 2.748 1.00 0.00 C ATOM 0 H LEU A 95 -9.837 -13.361 -0.495 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.637 -13.145 2.175 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.203 -11.097 -0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.518 -10.648 1.638 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.151 -12.263 0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.840 -10.294 1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -8.024 -9.894 0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.345 -9.444 1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.314 -12.082 2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.838 -11.303 3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.842 -12.991 2.875 1.00 0.00 H new