USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 717 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 84 ASN : amide:sc= -5.15! C(o=-10!,f=-11!) USER MOD Set 1.2: A 88 HIS : no HD1:sc= -5! C(o=-10!,f=-15!) USER MOD Set 2.1: A 51 ASN : amide:sc= -0.954 X(o=-0.83,f=-0.36) USER MOD Set 2.2: A 54 THR OG1 : rot 63:sc= 0.121 USER MOD Single : A 16 THR OG1 : rot 45:sc= 0.708 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0306 USER MOD Single : A 33 SER OG : rot 17:sc= 0.444 USER MOD Single : A 37 GLN : amide:sc= -1.62 K(o=-1.6,f=-2.8!) USER MOD Single : A 43 SER OG : rot -150:sc= -4.81! USER MOD Single : A 44 MET CE :methyl -169:sc= -1.51 (180deg=-1.54) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.381 USER MOD Single : A 46 ASN : amide:sc= -0.447 X(o=-0.45,f=-0.21) USER MOD Single : A 58 LYS NZ :NH3+ -120:sc= -0.197 (180deg=-2.17!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -1.06 K(o=-1.1,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -8.38! C(o=-8.4!,f=-4.7!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 7:sc= 0.182 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 166:sc= -0.381 (180deg=-0.524) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 16 -10.064 -2.359 -5.132 1.00 0.00 N ATOM 191 CA THR A 16 -10.899 -1.302 -4.577 1.00 0.00 C ATOM 192 C THR A 16 -11.737 -1.818 -3.412 1.00 0.00 C ATOM 193 O THR A 16 -12.730 -2.518 -3.612 1.00 0.00 O ATOM 194 CB THR A 16 -11.837 -0.707 -5.645 1.00 0.00 C ATOM 195 OG1 THR A 16 -12.635 -1.743 -6.228 1.00 0.00 O ATOM 196 CG2 THR A 16 -11.040 -0.002 -6.732 1.00 0.00 C ATOM 0 HA THR A 16 -10.226 -0.522 -4.220 1.00 0.00 H new ATOM 0 HB THR A 16 -12.486 0.022 -5.161 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.988 -2.322 -5.520 1.00 0.00 H new ATOM 0 HG21 THR A 16 -11.723 0.410 -7.475 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.456 0.805 -6.289 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.369 -0.715 -7.212 1.00 0.00 H new ATOM 204 N ILE A 17 -11.331 -1.467 -2.197 1.00 0.00 N ATOM 205 CA ILE A 17 -12.047 -1.894 -1.001 1.00 0.00 C ATOM 206 C ILE A 17 -12.189 -0.746 -0.006 1.00 0.00 C ATOM 207 O ILE A 17 -11.202 -0.111 0.369 1.00 0.00 O ATOM 208 CB ILE A 17 -11.336 -3.072 -0.310 1.00 0.00 C ATOM 209 CG1 ILE A 17 -11.306 -4.291 -1.234 1.00 0.00 C ATOM 210 CG2 ILE A 17 -12.027 -3.412 1.002 1.00 0.00 C ATOM 211 CD1 ILE A 17 -10.227 -5.291 -0.881 1.00 0.00 C ATOM 0 H ILE A 17 -10.511 -0.889 -2.014 1.00 0.00 H new ATOM 0 HA ILE A 17 -13.037 -2.217 -1.324 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.309 -2.780 -0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -12.276 -4.787 -1.199 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -11.157 -3.955 -2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.513 -4.247 1.478 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -12.001 -2.545 1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -13.063 -3.688 0.807 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.265 -6.128 -1.578 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.251 -4.810 -0.944 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.387 -5.656 0.134 1.00 0.00 H new ATOM 223 N ILE A 18 -13.421 -0.487 0.419 1.00 0.00 N ATOM 224 CA ILE A 18 -13.691 0.581 1.372 1.00 0.00 C ATOM 225 C ILE A 18 -13.815 0.035 2.790 1.00 0.00 C ATOM 226 O ILE A 18 -14.443 -1.001 3.015 1.00 0.00 O ATOM 227 CB ILE A 18 -14.980 1.344 1.013 1.00 0.00 C ATOM 228 CG1 ILE A 18 -14.872 1.939 -0.392 1.00 0.00 C ATOM 229 CG2 ILE A 18 -15.252 2.435 2.037 1.00 0.00 C ATOM 230 CD1 ILE A 18 -13.785 2.983 -0.524 1.00 0.00 C ATOM 0 H ILE A 18 -14.248 -1.003 0.118 1.00 0.00 H new ATOM 0 HA ILE A 18 -12.846 1.268 1.323 1.00 0.00 H new ATOM 0 HB ILE A 18 -15.815 0.644 1.027 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -14.682 1.136 -1.104 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -15.829 2.386 -0.663 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -16.166 2.965 1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.368 1.987 3.024 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.417 3.136 2.052 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.766 3.361 -1.546 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.985 3.805 0.163 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.820 2.536 -0.285 1.00 0.00 H new ATOM 242 N LEU A 19 -13.214 0.738 3.744 1.00 0.00 N ATOM 243 CA LEU A 19 -13.259 0.324 5.142 1.00 0.00 C ATOM 244 C LEU A 19 -14.327 1.100 5.905 1.00 0.00 C ATOM 245 O LEU A 19 -14.464 2.316 5.768 1.00 0.00 O ATOM 246 CB LEU A 19 -11.893 0.533 5.800 1.00 0.00 C ATOM 247 CG LEU A 19 -11.547 -0.420 6.945 1.00 0.00 C ATOM 248 CD1 LEU A 19 -11.465 -1.852 6.440 1.00 0.00 C ATOM 249 CD2 LEU A 19 -10.239 -0.008 7.604 1.00 0.00 C ATOM 0 H LEU A 19 -12.690 1.597 3.575 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.513 -0.735 5.174 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.124 0.441 5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.846 1.555 6.177 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.339 -0.365 7.692 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.218 -2.516 7.268 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.426 -2.144 6.015 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.693 -1.924 5.674 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.008 -0.697 8.417 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.436 -0.034 6.867 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.334 1.003 8.001 1.00 0.00 H new ATOM 261 N PRO A 20 -15.103 0.382 6.732 1.00 0.00 N ATOM 262 CA PRO A 20 -16.171 0.983 7.536 1.00 0.00 C ATOM 263 C PRO A 20 -15.629 1.866 8.654 1.00 0.00 C ATOM 264 O PRO A 20 -14.417 1.978 8.835 1.00 0.00 O ATOM 265 CB PRO A 20 -16.901 -0.230 8.119 1.00 0.00 C ATOM 266 CG PRO A 20 -15.880 -1.314 8.137 1.00 0.00 C ATOM 267 CD PRO A 20 -14.996 -1.071 6.945 1.00 0.00 C ATOM 0 HA PRO A 20 -16.809 1.637 6.942 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -17.276 -0.022 9.121 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.761 -0.506 7.508 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.303 -1.291 9.062 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.352 -2.295 8.080 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.967 -1.374 7.139 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.334 -1.631 6.073 1.00 0.00 H new ATOM 275 N GLU A 21 -16.534 2.491 9.401 1.00 0.00 N ATOM 276 CA GLU A 21 -16.144 3.364 10.501 1.00 0.00 C ATOM 277 C GLU A 21 -16.001 2.574 11.799 1.00 0.00 C ATOM 278 O GLU A 21 -16.126 3.127 12.892 1.00 0.00 O ATOM 279 CB GLU A 21 -17.172 4.482 10.683 1.00 0.00 C ATOM 280 CG GLU A 21 -18.561 3.980 11.042 1.00 0.00 C ATOM 281 CD GLU A 21 -19.511 5.103 11.408 1.00 0.00 C ATOM 282 OE1 GLU A 21 -19.875 5.889 10.508 1.00 0.00 O ATOM 283 OE2 GLU A 21 -19.891 5.197 12.594 1.00 0.00 O ATOM 0 H GLU A 21 -17.541 2.409 9.264 1.00 0.00 H new ATOM 0 HA GLU A 21 -15.178 3.805 10.256 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.826 5.158 11.465 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -17.231 5.063 9.762 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.971 3.423 10.200 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.487 3.285 11.878 1.00 0.00 H new ATOM 290 N ASP A 22 -15.738 1.278 11.669 1.00 0.00 N ATOM 291 CA ASP A 22 -15.577 0.411 12.831 1.00 0.00 C ATOM 292 C ASP A 22 -14.142 -0.095 12.936 1.00 0.00 C ATOM 293 O ASP A 22 -13.751 -0.676 13.950 1.00 0.00 O ATOM 294 CB ASP A 22 -16.543 -0.772 12.748 1.00 0.00 C ATOM 295 CG ASP A 22 -17.878 -0.476 13.402 1.00 0.00 C ATOM 296 OD1 ASP A 22 -17.893 0.252 14.416 1.00 0.00 O ATOM 297 OD2 ASP A 22 -18.908 -0.974 12.901 1.00 0.00 O ATOM 0 H ASP A 22 -15.632 0.805 10.772 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.804 0.994 13.724 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -16.704 -1.033 11.702 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -16.091 -1.640 13.227 1.00 0.00 H new ATOM 302 N ILE A 23 -13.362 0.129 11.884 1.00 0.00 N ATOM 303 CA ILE A 23 -11.971 -0.304 11.859 1.00 0.00 C ATOM 304 C ILE A 23 -11.032 0.840 12.226 1.00 0.00 C ATOM 305 O ILE A 23 -11.296 1.999 11.907 1.00 0.00 O ATOM 306 CB ILE A 23 -11.576 -0.853 10.475 1.00 0.00 C ATOM 307 CG1 ILE A 23 -12.794 -1.463 9.778 1.00 0.00 C ATOM 308 CG2 ILE A 23 -10.465 -1.884 10.611 1.00 0.00 C ATOM 309 CD1 ILE A 23 -13.613 -2.366 10.674 1.00 0.00 C ATOM 0 H ILE A 23 -13.670 0.608 11.038 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.876 -1.100 12.597 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.207 -0.028 9.865 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -13.430 -0.660 9.406 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -12.459 -2.032 8.911 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.197 -2.262 9.625 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.592 -1.420 11.071 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.809 -2.709 11.235 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -14.460 -2.763 10.114 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.992 -3.190 11.026 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.978 -1.796 11.529 1.00 0.00 H new ATOM 321 N GLU A 24 -9.934 0.506 12.898 1.00 0.00 N ATOM 322 CA GLU A 24 -8.956 1.506 13.307 1.00 0.00 C ATOM 323 C GLU A 24 -7.723 1.461 12.409 1.00 0.00 C ATOM 324 O GLU A 24 -6.951 0.501 12.444 1.00 0.00 O ATOM 325 CB GLU A 24 -8.547 1.286 14.765 1.00 0.00 C ATOM 326 CG GLU A 24 -7.258 1.992 15.150 1.00 0.00 C ATOM 327 CD GLU A 24 -6.844 1.713 16.582 1.00 0.00 C ATOM 328 OE1 GLU A 24 -6.409 0.577 16.863 1.00 0.00 O ATOM 329 OE2 GLU A 24 -6.956 2.631 17.420 1.00 0.00 O ATOM 0 H GLU A 24 -9.700 -0.449 13.170 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.418 2.489 13.211 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.350 1.634 15.415 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.433 0.217 14.944 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.461 1.676 14.477 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.382 3.066 15.015 1.00 0.00 H new ATOM 336 N LEU A 25 -7.544 2.504 11.606 1.00 0.00 N ATOM 337 CA LEU A 25 -6.406 2.584 10.698 1.00 0.00 C ATOM 338 C LEU A 25 -5.147 3.020 11.441 1.00 0.00 C ATOM 339 O LEU A 25 -5.100 4.103 12.024 1.00 0.00 O ATOM 340 CB LEU A 25 -6.704 3.561 9.560 1.00 0.00 C ATOM 341 CG LEU A 25 -7.730 3.094 8.526 1.00 0.00 C ATOM 342 CD1 LEU A 25 -8.117 4.239 7.603 1.00 0.00 C ATOM 343 CD2 LEU A 25 -7.184 1.921 7.725 1.00 0.00 C ATOM 0 H LEU A 25 -8.173 3.306 11.565 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.235 1.592 10.281 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.055 4.497 9.994 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.770 3.781 9.042 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.624 2.762 9.054 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.848 3.888 6.874 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.550 5.049 8.190 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.231 4.602 7.082 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.927 1.602 6.994 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.274 2.226 7.208 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.959 1.094 8.398 1.00 0.00 H new ATOM 355 N LYS A 26 -4.126 2.170 11.413 1.00 0.00 N ATOM 356 CA LYS A 26 -2.863 2.468 12.080 1.00 0.00 C ATOM 357 C LYS A 26 -1.833 2.994 11.085 1.00 0.00 C ATOM 358 O LYS A 26 -1.757 2.548 9.940 1.00 0.00 O ATOM 359 CB LYS A 26 -2.323 1.217 12.776 1.00 0.00 C ATOM 360 CG LYS A 26 -3.125 0.808 14.000 1.00 0.00 C ATOM 361 CD LYS A 26 -3.079 -0.695 14.220 1.00 0.00 C ATOM 362 CE LYS A 26 -4.215 -1.400 13.494 1.00 0.00 C ATOM 363 NZ LYS A 26 -4.286 -2.845 13.846 1.00 0.00 N ATOM 0 H LYS A 26 -4.148 1.269 10.936 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.048 3.240 12.826 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.314 0.391 12.065 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.289 1.394 13.072 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.733 1.318 14.880 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.160 1.128 13.881 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.124 -1.086 13.870 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.139 -0.910 15.287 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.160 -0.918 13.744 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.079 -1.295 12.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.073 -3.290 13.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.394 -3.310 13.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.441 -2.946 14.869 1.00 0.00 H new ATOM 377 N PRO A 27 -1.020 3.963 11.531 1.00 0.00 N ATOM 378 CA PRO A 27 0.021 4.569 10.696 1.00 0.00 C ATOM 379 C PRO A 27 1.167 3.605 10.409 1.00 0.00 C ATOM 380 O PRO A 27 2.027 3.375 11.260 1.00 0.00 O ATOM 381 CB PRO A 27 0.512 5.747 11.541 1.00 0.00 C ATOM 382 CG PRO A 27 0.205 5.360 12.946 1.00 0.00 C ATOM 383 CD PRO A 27 -1.055 4.543 12.884 1.00 0.00 C ATOM 0 HA PRO A 27 -0.359 4.859 9.716 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.580 5.916 11.401 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.004 6.671 11.265 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.023 4.784 13.380 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.068 6.241 13.573 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.071 3.770 13.652 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.941 5.159 13.034 1.00 0.00 H new ATOM 391 N LEU A 28 1.174 3.043 9.205 1.00 0.00 N ATOM 392 CA LEU A 28 2.216 2.104 8.805 1.00 0.00 C ATOM 393 C LEU A 28 3.511 2.837 8.469 1.00 0.00 C ATOM 394 O LEU A 28 4.602 2.369 8.790 1.00 0.00 O ATOM 395 CB LEU A 28 1.754 1.282 7.600 1.00 0.00 C ATOM 396 CG LEU A 28 2.855 0.792 6.660 1.00 0.00 C ATOM 397 CD1 LEU A 28 2.398 -0.443 5.899 1.00 0.00 C ATOM 398 CD2 LEU A 28 3.262 1.896 5.694 1.00 0.00 C ATOM 0 H LEU A 28 0.470 3.221 8.489 1.00 0.00 H new ATOM 0 HA LEU A 28 2.407 1.434 9.643 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.204 0.415 7.966 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.052 1.884 7.023 1.00 0.00 H new ATOM 0 HG LEU A 28 3.724 0.522 7.260 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.195 -0.777 5.235 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.158 -1.237 6.606 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.513 -0.201 5.310 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.047 1.529 5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.399 2.197 5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.633 2.753 6.256 1.00 0.00 H new ATOM 410 N GLY A 29 3.380 3.991 7.820 1.00 0.00 N ATOM 411 CA GLY A 29 4.548 4.771 7.453 1.00 0.00 C ATOM 412 C GLY A 29 4.190 6.007 6.652 1.00 0.00 C ATOM 413 O GLY A 29 3.200 6.678 6.942 1.00 0.00 O ATOM 0 H GLY A 29 2.487 4.399 7.542 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.081 5.069 8.356 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.229 4.149 6.871 1.00 0.00 H new ATOM 417 N MET A 30 4.999 6.310 5.642 1.00 0.00 N ATOM 418 CA MET A 30 4.762 7.475 4.797 1.00 0.00 C ATOM 419 C MET A 30 5.558 7.375 3.499 1.00 0.00 C ATOM 420 O MET A 30 6.739 7.029 3.508 1.00 0.00 O ATOM 421 CB MET A 30 5.138 8.757 5.542 1.00 0.00 C ATOM 422 CG MET A 30 5.347 9.952 4.626 1.00 0.00 C ATOM 423 SD MET A 30 7.062 10.137 4.104 1.00 0.00 S ATOM 424 CE MET A 30 7.703 11.185 5.407 1.00 0.00 C ATOM 0 H MET A 30 5.824 5.766 5.389 1.00 0.00 H new ATOM 0 HA MET A 30 3.701 7.505 4.551 1.00 0.00 H new ATOM 0 HB2 MET A 30 4.354 8.993 6.261 1.00 0.00 H new ATOM 0 HB3 MET A 30 6.051 8.582 6.112 1.00 0.00 H new ATOM 0 HG2 MET A 30 4.713 9.845 3.746 1.00 0.00 H new ATOM 0 HG3 MET A 30 5.028 10.859 5.140 1.00 0.00 H new ATOM 0 HE1 MET A 30 8.758 11.389 5.224 1.00 0.00 H new ATOM 0 HE2 MET A 30 7.149 12.124 5.424 1.00 0.00 H new ATOM 0 HE3 MET A 30 7.592 10.681 6.367 1.00 0.00 H new ATOM 434 N VAL A 31 4.902 7.680 2.383 1.00 0.00 N ATOM 435 CA VAL A 31 5.548 7.625 1.078 1.00 0.00 C ATOM 436 C VAL A 31 6.929 8.271 1.120 1.00 0.00 C ATOM 437 O VAL A 31 7.060 9.463 1.395 1.00 0.00 O ATOM 438 CB VAL A 31 4.699 8.327 0.001 1.00 0.00 C ATOM 439 CG1 VAL A 31 5.394 8.268 -1.350 1.00 0.00 C ATOM 440 CG2 VAL A 31 3.314 7.702 -0.075 1.00 0.00 C ATOM 0 H VAL A 31 3.924 7.968 2.358 1.00 0.00 H new ATOM 0 HA VAL A 31 5.650 6.571 0.820 1.00 0.00 H new ATOM 0 HB VAL A 31 4.586 9.375 0.278 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.779 8.769 -2.098 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.362 8.765 -1.283 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.540 7.227 -1.639 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.727 8.210 -0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.405 6.646 -0.328 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.816 7.802 0.889 1.00 0.00 H new ATOM 450 N SER A 32 7.957 7.474 0.846 1.00 0.00 N ATOM 451 CA SER A 32 9.329 7.967 0.856 1.00 0.00 C ATOM 452 C SER A 32 9.838 8.188 -0.566 1.00 0.00 C ATOM 453 O SER A 32 10.553 9.152 -0.838 1.00 0.00 O ATOM 454 CB SER A 32 10.242 6.981 1.588 1.00 0.00 C ATOM 455 OG SER A 32 10.786 6.028 0.692 1.00 0.00 O ATOM 0 H SER A 32 7.866 6.485 0.615 1.00 0.00 H new ATOM 0 HA SER A 32 9.342 8.922 1.381 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.049 7.524 2.080 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.679 6.470 2.369 1.00 0.00 H new ATOM 0 HG SER A 32 11.367 5.411 1.184 1.00 0.00 H new ATOM 461 N SER A 33 9.463 7.288 -1.468 1.00 0.00 N ATOM 462 CA SER A 33 9.883 7.381 -2.862 1.00 0.00 C ATOM 463 C SER A 33 8.873 6.701 -3.780 1.00 0.00 C ATOM 464 O SER A 33 7.939 6.046 -3.317 1.00 0.00 O ATOM 465 CB SER A 33 11.263 6.747 -3.044 1.00 0.00 C ATOM 466 OG SER A 33 12.286 7.610 -2.578 1.00 0.00 O ATOM 0 H SER A 33 8.869 6.486 -1.259 1.00 0.00 H new ATOM 0 HA SER A 33 9.938 8.436 -3.130 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.306 5.801 -2.504 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.426 6.520 -4.097 1.00 0.00 H new ATOM 0 HG SER A 33 11.894 8.302 -2.005 1.00 0.00 H new ATOM 472 N ILE A 34 9.067 6.861 -5.085 1.00 0.00 N ATOM 473 CA ILE A 34 8.175 6.262 -6.069 1.00 0.00 C ATOM 474 C ILE A 34 8.962 5.544 -7.160 1.00 0.00 C ATOM 475 O ILE A 34 9.851 6.125 -7.783 1.00 0.00 O ATOM 476 CB ILE A 34 7.264 7.319 -6.721 1.00 0.00 C ATOM 477 CG1 ILE A 34 6.212 7.803 -5.722 1.00 0.00 C ATOM 478 CG2 ILE A 34 6.599 6.751 -7.966 1.00 0.00 C ATOM 479 CD1 ILE A 34 6.665 8.983 -4.890 1.00 0.00 C ATOM 0 H ILE A 34 9.834 7.401 -5.485 1.00 0.00 H new ATOM 0 HA ILE A 34 7.557 5.540 -5.535 1.00 0.00 H new ATOM 0 HB ILE A 34 7.876 8.171 -7.017 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.307 8.077 -6.264 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.948 6.980 -5.057 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.959 7.510 -8.415 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.364 6.451 -8.683 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.997 5.884 -7.694 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.869 9.272 -4.204 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.552 8.707 -4.320 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.901 9.821 -5.546 1.00 0.00 H new ATOM 491 N ILE A 35 8.628 4.278 -7.387 1.00 0.00 N ATOM 492 CA ILE A 35 9.302 3.481 -8.404 1.00 0.00 C ATOM 493 C ILE A 35 8.651 3.669 -9.770 1.00 0.00 C ATOM 494 O ILE A 35 7.484 4.048 -9.865 1.00 0.00 O ATOM 495 CB ILE A 35 9.292 1.983 -8.045 1.00 0.00 C ATOM 496 CG1 ILE A 35 10.120 1.734 -6.783 1.00 0.00 C ATOM 497 CG2 ILE A 35 9.824 1.157 -9.206 1.00 0.00 C ATOM 498 CD1 ILE A 35 10.100 0.294 -6.321 1.00 0.00 C ATOM 0 H ILE A 35 7.895 3.782 -6.880 1.00 0.00 H new ATOM 0 HA ILE A 35 10.334 3.829 -8.444 1.00 0.00 H new ATOM 0 HB ILE A 35 8.264 1.678 -7.849 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.151 2.033 -6.970 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.745 2.370 -5.981 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.811 0.101 -8.937 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.197 1.316 -10.083 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.846 1.461 -9.431 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.708 0.192 -5.422 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.075 -0.003 -6.101 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.503 -0.346 -7.106 1.00 0.00 H new ATOM 510 N GLU A 36 9.413 3.399 -10.826 1.00 0.00 N ATOM 511 CA GLU A 36 8.908 3.538 -12.187 1.00 0.00 C ATOM 512 C GLU A 36 7.416 3.223 -12.249 1.00 0.00 C ATOM 513 O GLU A 36 6.636 3.978 -12.827 1.00 0.00 O ATOM 514 CB GLU A 36 9.675 2.614 -13.135 1.00 0.00 C ATOM 515 CG GLU A 36 11.159 2.930 -13.225 1.00 0.00 C ATOM 516 CD GLU A 36 11.763 2.523 -14.554 1.00 0.00 C ATOM 517 OE1 GLU A 36 11.201 2.905 -15.602 1.00 0.00 O ATOM 518 OE2 GLU A 36 12.797 1.823 -14.547 1.00 0.00 O ATOM 0 H GLU A 36 10.381 3.083 -10.765 1.00 0.00 H new ATOM 0 HA GLU A 36 9.056 4.572 -12.499 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.551 1.583 -12.803 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.236 2.683 -14.130 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.309 3.999 -13.075 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.685 2.418 -12.419 1.00 0.00 H new ATOM 525 N GLN A 37 7.029 2.101 -11.649 1.00 0.00 N ATOM 526 CA GLN A 37 5.631 1.685 -11.637 1.00 0.00 C ATOM 527 C GLN A 37 5.127 1.514 -10.208 1.00 0.00 C ATOM 528 O GLN A 37 3.970 1.812 -9.907 1.00 0.00 O ATOM 529 CB GLN A 37 5.460 0.378 -12.412 1.00 0.00 C ATOM 530 CG GLN A 37 6.645 -0.566 -12.283 1.00 0.00 C ATOM 531 CD GLN A 37 7.709 -0.314 -13.333 1.00 0.00 C ATOM 532 OE1 GLN A 37 7.433 0.257 -14.388 1.00 0.00 O ATOM 533 NE2 GLN A 37 8.934 -0.740 -13.049 1.00 0.00 N ATOM 0 H GLN A 37 7.663 1.465 -11.166 1.00 0.00 H new ATOM 0 HA GLN A 37 5.041 2.464 -12.119 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.562 -0.129 -12.059 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.303 0.608 -13.466 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.085 -0.457 -11.292 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.295 -1.595 -12.365 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.118 -1.209 -12.162 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.691 -0.599 -13.718 1.00 0.00 H new ATOM 542 N LEU A 38 6.000 1.031 -9.332 1.00 0.00 N ATOM 543 CA LEU A 38 5.643 0.819 -7.933 1.00 0.00 C ATOM 544 C LEU A 38 5.951 2.058 -7.099 1.00 0.00 C ATOM 545 O LEU A 38 6.507 3.035 -7.601 1.00 0.00 O ATOM 546 CB LEU A 38 6.397 -0.388 -7.372 1.00 0.00 C ATOM 547 CG LEU A 38 6.290 -1.682 -8.180 1.00 0.00 C ATOM 548 CD1 LEU A 38 4.948 -1.758 -8.892 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.433 -1.781 -9.181 1.00 0.00 C ATOM 0 H LEU A 38 6.960 0.779 -9.565 1.00 0.00 H new ATOM 0 HA LEU A 38 4.571 0.627 -7.882 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.451 -0.124 -7.285 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.032 -0.582 -6.363 1.00 0.00 H new ATOM 0 HG LEU A 38 6.361 -2.524 -7.492 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.890 -2.685 -9.462 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.144 -1.733 -8.156 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.847 -0.910 -9.569 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.341 -2.708 -9.747 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.393 -0.933 -9.864 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.384 -1.774 -8.649 1.00 0.00 H new ATOM 561 N VAL A 39 5.586 2.010 -5.821 1.00 0.00 N ATOM 562 CA VAL A 39 5.826 3.127 -4.916 1.00 0.00 C ATOM 563 C VAL A 39 6.504 2.659 -3.633 1.00 0.00 C ATOM 564 O VAL A 39 6.180 1.597 -3.100 1.00 0.00 O ATOM 565 CB VAL A 39 4.514 3.849 -4.556 1.00 0.00 C ATOM 566 CG1 VAL A 39 4.783 5.001 -3.600 1.00 0.00 C ATOM 567 CG2 VAL A 39 3.815 4.342 -5.814 1.00 0.00 C ATOM 0 H VAL A 39 5.123 1.210 -5.390 1.00 0.00 H new ATOM 0 HA VAL A 39 6.483 3.822 -5.438 1.00 0.00 H new ATOM 0 HB VAL A 39 3.855 3.140 -4.056 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.844 5.499 -3.357 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.237 4.617 -2.686 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.461 5.714 -4.070 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.890 4.850 -5.541 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.467 5.036 -6.344 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.587 3.494 -6.459 1.00 0.00 H new ATOM 577 N ILE A 40 7.445 3.458 -3.142 1.00 0.00 N ATOM 578 CA ILE A 40 8.167 3.127 -1.921 1.00 0.00 C ATOM 579 C ILE A 40 7.580 3.859 -0.719 1.00 0.00 C ATOM 580 O ILE A 40 7.311 5.059 -0.781 1.00 0.00 O ATOM 581 CB ILE A 40 9.663 3.474 -2.039 1.00 0.00 C ATOM 582 CG1 ILE A 40 10.231 2.937 -3.354 1.00 0.00 C ATOM 583 CG2 ILE A 40 10.433 2.911 -0.854 1.00 0.00 C ATOM 584 CD1 ILE A 40 10.342 1.429 -3.394 1.00 0.00 C ATOM 0 H ILE A 40 7.725 4.340 -3.572 1.00 0.00 H new ATOM 0 HA ILE A 40 8.062 2.052 -1.775 1.00 0.00 H new ATOM 0 HB ILE A 40 9.771 4.559 -2.034 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.597 3.268 -4.176 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.218 3.370 -3.518 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.488 3.165 -0.952 1.00 0.00 H new ATOM 0 HG22 ILE A 40 10.042 3.337 0.070 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.321 1.827 -0.829 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.752 1.120 -4.355 1.00 0.00 H new ATOM 0 HD12 ILE A 40 11.000 1.091 -2.593 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.354 0.988 -3.262 1.00 0.00 H new ATOM 596 N ILE A 41 7.386 3.129 0.375 1.00 0.00 N ATOM 597 CA ILE A 41 6.834 3.710 1.592 1.00 0.00 C ATOM 598 C ILE A 41 7.666 3.325 2.811 1.00 0.00 C ATOM 599 O ILE A 41 7.733 2.155 3.184 1.00 0.00 O ATOM 600 CB ILE A 41 5.377 3.264 1.818 1.00 0.00 C ATOM 601 CG1 ILE A 41 4.522 3.603 0.595 1.00 0.00 C ATOM 602 CG2 ILE A 41 4.809 3.923 3.066 1.00 0.00 C ATOM 603 CD1 ILE A 41 3.376 2.641 0.373 1.00 0.00 C ATOM 0 H ILE A 41 7.603 2.135 0.443 1.00 0.00 H new ATOM 0 HA ILE A 41 6.859 4.792 1.465 1.00 0.00 H new ATOM 0 HB ILE A 41 5.361 2.184 1.962 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.123 4.611 0.709 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.157 3.610 -0.291 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.779 3.598 3.212 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.406 3.637 3.932 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.834 5.006 2.949 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.813 2.943 -0.510 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.769 1.635 0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.719 2.651 1.243 1.00 0.00 H new ATOM 615 N GLU A 42 8.297 4.320 3.428 1.00 0.00 N ATOM 616 CA GLU A 42 9.123 4.085 4.606 1.00 0.00 C ATOM 617 C GLU A 42 8.259 3.919 5.853 1.00 0.00 C ATOM 618 O GLU A 42 7.180 4.503 5.955 1.00 0.00 O ATOM 619 CB GLU A 42 10.108 5.239 4.803 1.00 0.00 C ATOM 620 CG GLU A 42 9.468 6.495 5.371 1.00 0.00 C ATOM 621 CD GLU A 42 10.379 7.704 5.283 1.00 0.00 C ATOM 622 OE1 GLU A 42 11.265 7.716 4.403 1.00 0.00 O ATOM 623 OE2 GLU A 42 10.205 8.638 6.093 1.00 0.00 O ATOM 0 H GLU A 42 8.252 5.295 3.132 1.00 0.00 H new ATOM 0 HA GLU A 42 9.682 3.163 4.448 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.906 4.914 5.470 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.571 5.478 3.845 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.543 6.702 4.833 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.199 6.322 6.413 1.00 0.00 H new ATOM 630 N SER A 43 8.742 3.120 6.798 1.00 0.00 N ATOM 631 CA SER A 43 8.013 2.874 8.037 1.00 0.00 C ATOM 632 C SER A 43 8.523 3.776 9.156 1.00 0.00 C ATOM 633 O SER A 43 9.539 4.454 9.007 1.00 0.00 O ATOM 634 CB SER A 43 8.146 1.406 8.449 1.00 0.00 C ATOM 635 OG SER A 43 8.027 1.258 9.853 1.00 0.00 O ATOM 0 H SER A 43 9.635 2.632 6.730 1.00 0.00 H new ATOM 0 HA SER A 43 6.961 3.101 7.862 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.378 0.814 7.951 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.110 1.018 8.120 1.00 0.00 H new ATOM 0 HG SER A 43 8.555 0.486 10.147 1.00 0.00 H new ATOM 641 N MET A 44 7.811 3.777 10.278 1.00 0.00 N ATOM 642 CA MET A 44 8.191 4.595 11.424 1.00 0.00 C ATOM 643 C MET A 44 8.479 3.723 12.642 1.00 0.00 C ATOM 644 O MET A 44 9.629 3.579 13.058 1.00 0.00 O ATOM 645 CB MET A 44 7.085 5.600 11.751 1.00 0.00 C ATOM 646 CG MET A 44 6.475 6.254 10.521 1.00 0.00 C ATOM 647 SD MET A 44 7.342 7.756 10.031 1.00 0.00 S ATOM 648 CE MET A 44 6.485 8.162 8.512 1.00 0.00 C ATOM 0 H MET A 44 6.968 3.221 10.418 1.00 0.00 H new ATOM 0 HA MET A 44 9.100 5.139 11.165 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.299 5.093 12.311 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.490 6.375 12.401 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.488 5.545 9.693 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.430 6.491 10.721 1.00 0.00 H new ATOM 0 HE1 MET A 44 7.027 8.949 7.988 1.00 0.00 H new ATOM 0 HE2 MET A 44 6.428 7.277 7.879 1.00 0.00 H new ATOM 0 HE3 MET A 44 5.478 8.508 8.744 1.00 0.00 H new ATOM 658 N THR A 45 7.427 3.144 13.212 1.00 0.00 N ATOM 659 CA THR A 45 7.566 2.288 14.383 1.00 0.00 C ATOM 660 C THR A 45 6.230 1.667 14.772 1.00 0.00 C ATOM 661 O THR A 45 5.183 2.047 14.250 1.00 0.00 O ATOM 662 CB THR A 45 8.126 3.070 15.586 1.00 0.00 C ATOM 663 OG1 THR A 45 8.284 2.194 16.708 1.00 0.00 O ATOM 664 CG2 THR A 45 7.205 4.221 15.960 1.00 0.00 C ATOM 0 H THR A 45 6.468 3.253 12.881 1.00 0.00 H new ATOM 0 HA THR A 45 8.266 1.497 14.115 1.00 0.00 H new ATOM 0 HB THR A 45 9.096 3.480 15.305 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.642 2.698 17.469 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.622 4.758 16.812 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.110 4.901 15.113 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.222 3.830 16.223 1.00 0.00 H new ATOM 672 N ASN A 46 6.273 0.710 15.694 1.00 0.00 N ATOM 673 CA ASN A 46 5.064 0.037 16.154 1.00 0.00 C ATOM 674 C ASN A 46 4.358 -0.664 14.997 1.00 0.00 C ATOM 675 O ASN A 46 3.138 -0.828 15.008 1.00 0.00 O ATOM 676 CB ASN A 46 4.115 1.040 16.812 1.00 0.00 C ATOM 677 CG ASN A 46 3.067 0.364 17.676 1.00 0.00 C ATOM 678 OD1 ASN A 46 1.869 0.591 17.508 1.00 0.00 O ATOM 679 ND2 ASN A 46 3.516 -0.471 18.605 1.00 0.00 N ATOM 0 H ASN A 46 7.132 0.384 16.137 1.00 0.00 H new ATOM 0 HA ASN A 46 5.354 -0.714 16.889 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.692 1.735 17.422 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.620 1.629 16.039 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.858 -0.955 19.216 1.00 0.00 H new ATOM 0 HD22 ASN A 46 4.519 -0.628 18.708 1.00 0.00 H new ATOM 686 N LEU A 47 5.134 -1.075 14.000 1.00 0.00 N ATOM 687 CA LEU A 47 4.584 -1.759 12.835 1.00 0.00 C ATOM 688 C LEU A 47 4.436 -3.254 13.101 1.00 0.00 C ATOM 689 O LEU A 47 5.394 -3.946 13.445 1.00 0.00 O ATOM 690 CB LEU A 47 5.480 -1.533 11.616 1.00 0.00 C ATOM 691 CG LEU A 47 5.152 -0.309 10.760 1.00 0.00 C ATOM 692 CD1 LEU A 47 5.820 0.934 11.327 1.00 0.00 C ATOM 693 CD2 LEU A 47 5.582 -0.537 9.318 1.00 0.00 C ATOM 0 H LEU A 47 6.146 -0.947 13.975 1.00 0.00 H new ATOM 0 HA LEU A 47 3.596 -1.345 12.634 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.511 -1.446 11.959 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.428 -2.419 10.983 1.00 0.00 H new ATOM 0 HG LEU A 47 4.073 -0.156 10.777 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.575 1.795 10.705 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.464 1.107 12.342 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.901 0.792 11.341 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.341 0.344 8.723 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.657 -0.716 9.283 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.057 -1.402 8.914 1.00 0.00 H new ATOM 705 N PRO A 48 3.207 -3.766 12.936 1.00 0.00 N ATOM 706 CA PRO A 48 2.905 -5.184 13.150 1.00 0.00 C ATOM 707 C PRO A 48 3.526 -6.077 12.081 1.00 0.00 C ATOM 708 O PRO A 48 3.949 -5.615 11.021 1.00 0.00 O ATOM 709 CB PRO A 48 1.377 -5.237 13.069 1.00 0.00 C ATOM 710 CG PRO A 48 1.001 -4.066 12.229 1.00 0.00 C ATOM 711 CD PRO A 48 2.018 -2.999 12.527 1.00 0.00 C ATOM 0 HA PRO A 48 3.309 -5.549 14.094 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.037 -6.171 12.621 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.926 -5.175 14.059 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.008 -4.327 11.171 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -0.006 -3.723 12.466 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.220 -2.381 11.652 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.679 -2.331 13.318 1.00 0.00 H new ATOM 719 N PRO A 49 3.584 -7.387 12.364 1.00 0.00 N ATOM 720 CA PRO A 49 4.152 -8.372 11.439 1.00 0.00 C ATOM 721 C PRO A 49 3.280 -8.577 10.204 1.00 0.00 C ATOM 722 O PRO A 49 2.523 -9.544 10.120 1.00 0.00 O ATOM 723 CB PRO A 49 4.206 -9.654 12.274 1.00 0.00 C ATOM 724 CG PRO A 49 3.143 -9.479 13.304 1.00 0.00 C ATOM 725 CD PRO A 49 3.100 -8.007 13.609 1.00 0.00 C ATOM 0 HA PRO A 49 5.122 -8.057 11.054 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.021 -10.535 11.659 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.185 -9.786 12.734 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.179 -9.829 12.934 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.369 -10.057 14.200 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.091 -7.677 13.856 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.735 -7.754 14.458 1.00 0.00 H new ATOM 733 N VAL A 50 3.393 -7.661 9.247 1.00 0.00 N ATOM 734 CA VAL A 50 2.617 -7.743 8.016 1.00 0.00 C ATOM 735 C VAL A 50 3.483 -8.202 6.849 1.00 0.00 C ATOM 736 O VAL A 50 4.579 -7.685 6.636 1.00 0.00 O ATOM 737 CB VAL A 50 1.978 -6.386 7.664 1.00 0.00 C ATOM 738 CG1 VAL A 50 0.647 -6.220 8.381 1.00 0.00 C ATOM 739 CG2 VAL A 50 2.925 -5.247 8.010 1.00 0.00 C ATOM 0 H VAL A 50 4.014 -6.854 9.301 1.00 0.00 H new ATOM 0 HA VAL A 50 1.828 -8.475 8.188 1.00 0.00 H new ATOM 0 HB VAL A 50 1.790 -6.360 6.591 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.211 -5.256 8.120 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.031 -7.018 8.079 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.806 -6.267 9.458 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.458 -4.296 7.755 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.145 -5.269 9.077 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.851 -5.360 7.446 1.00 0.00 H new ATOM 749 N ASN A 51 2.984 -9.176 6.095 1.00 0.00 N ATOM 750 CA ASN A 51 3.713 -9.705 4.949 1.00 0.00 C ATOM 751 C ASN A 51 3.227 -9.065 3.652 1.00 0.00 C ATOM 752 O ASN A 51 2.285 -8.274 3.655 1.00 0.00 O ATOM 753 CB ASN A 51 3.550 -11.225 4.872 1.00 0.00 C ATOM 754 CG ASN A 51 2.192 -11.686 5.362 1.00 0.00 C ATOM 755 OD1 ASN A 51 2.091 -12.420 6.346 1.00 0.00 O ATOM 756 ND2 ASN A 51 1.138 -11.258 4.677 1.00 0.00 N ATOM 0 H ASN A 51 2.078 -9.615 6.257 1.00 0.00 H new ATOM 0 HA ASN A 51 4.768 -9.465 5.079 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.691 -11.551 3.842 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.329 -11.702 5.467 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.198 -11.536 4.960 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.268 -10.651 3.868 1.00 0.00 H new ATOM 763 N GLU A 52 3.878 -9.412 2.546 1.00 0.00 N ATOM 764 CA GLU A 52 3.513 -8.870 1.243 1.00 0.00 C ATOM 765 C GLU A 52 2.007 -8.974 1.013 1.00 0.00 C ATOM 766 O GLU A 52 1.349 -7.985 0.694 1.00 0.00 O ATOM 767 CB GLU A 52 4.261 -9.608 0.131 1.00 0.00 C ATOM 768 CG GLU A 52 5.766 -9.655 0.337 1.00 0.00 C ATOM 769 CD GLU A 52 6.209 -10.873 1.123 1.00 0.00 C ATOM 770 OE1 GLU A 52 5.547 -11.926 1.010 1.00 0.00 O ATOM 771 OE2 GLU A 52 7.219 -10.773 1.851 1.00 0.00 O ATOM 0 H GLU A 52 4.661 -10.066 2.527 1.00 0.00 H new ATOM 0 HA GLU A 52 3.795 -7.817 1.224 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.880 -10.627 0.063 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.048 -9.124 -0.822 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.262 -9.653 -0.634 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.086 -8.754 0.860 1.00 0.00 H new ATOM 778 N GLU A 53 1.471 -10.179 1.179 1.00 0.00 N ATOM 779 CA GLU A 53 0.045 -10.413 0.988 1.00 0.00 C ATOM 780 C GLU A 53 -0.781 -9.347 1.703 1.00 0.00 C ATOM 781 O GLU A 53 -1.946 -9.121 1.372 1.00 0.00 O ATOM 782 CB GLU A 53 -0.341 -11.801 1.502 1.00 0.00 C ATOM 783 CG GLU A 53 -1.811 -12.135 1.309 1.00 0.00 C ATOM 784 CD GLU A 53 -2.198 -13.455 1.949 1.00 0.00 C ATOM 785 OE1 GLU A 53 -1.952 -13.622 3.161 1.00 0.00 O ATOM 786 OE2 GLU A 53 -2.747 -14.320 1.236 1.00 0.00 O ATOM 0 H GLU A 53 2.003 -11.008 1.445 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.166 -10.358 -0.080 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.263 -12.550 0.990 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.098 -11.867 2.563 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.420 -11.337 1.734 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.034 -12.173 0.243 1.00 0.00 H new ATOM 793 N THR A 54 -0.170 -8.694 2.687 1.00 0.00 N ATOM 794 CA THR A 54 -0.847 -7.654 3.450 1.00 0.00 C ATOM 795 C THR A 54 -1.298 -6.512 2.545 1.00 0.00 C ATOM 796 O THR A 54 -0.566 -6.092 1.649 1.00 0.00 O ATOM 797 CB THR A 54 0.062 -7.087 4.558 1.00 0.00 C ATOM 798 OG1 THR A 54 0.521 -8.147 5.404 1.00 0.00 O ATOM 799 CG2 THR A 54 -0.680 -6.052 5.389 1.00 0.00 C ATOM 0 H THR A 54 0.793 -8.868 2.974 1.00 0.00 H new ATOM 0 HA THR A 54 -1.721 -8.118 3.908 1.00 0.00 H new ATOM 0 HB THR A 54 0.917 -6.604 4.085 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.062 -8.774 4.879 1.00 0.00 H new ATOM 0 HG21 THR A 54 -0.019 -5.666 6.165 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.003 -5.233 4.746 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.551 -6.514 5.853 1.00 0.00 H new ATOM 807 N VAL A 55 -2.507 -6.015 2.786 1.00 0.00 N ATOM 808 CA VAL A 55 -3.054 -4.920 1.993 1.00 0.00 C ATOM 809 C VAL A 55 -2.789 -3.574 2.658 1.00 0.00 C ATOM 810 O VAL A 55 -2.743 -3.475 3.885 1.00 0.00 O ATOM 811 CB VAL A 55 -4.570 -5.086 1.780 1.00 0.00 C ATOM 812 CG1 VAL A 55 -5.108 -3.978 0.886 1.00 0.00 C ATOM 813 CG2 VAL A 55 -4.879 -6.454 1.191 1.00 0.00 C ATOM 0 H VAL A 55 -3.126 -6.353 3.523 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.553 -4.948 1.025 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.065 -5.012 2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.181 -4.112 0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.920 -3.011 1.352 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.609 -4.017 -0.082 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.955 -6.554 1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.373 -6.560 0.231 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.530 -7.230 1.872 1.00 0.00 H new ATOM 823 N ILE A 56 -2.617 -2.540 1.841 1.00 0.00 N ATOM 824 CA ILE A 56 -2.359 -1.199 2.351 1.00 0.00 C ATOM 825 C ILE A 56 -3.507 -0.253 2.015 1.00 0.00 C ATOM 826 O ILE A 56 -3.888 -0.111 0.853 1.00 0.00 O ATOM 827 CB ILE A 56 -1.050 -0.623 1.780 1.00 0.00 C ATOM 828 CG1 ILE A 56 0.092 -1.628 1.949 1.00 0.00 C ATOM 829 CG2 ILE A 56 -0.709 0.694 2.462 1.00 0.00 C ATOM 830 CD1 ILE A 56 0.411 -1.943 3.393 1.00 0.00 C ATOM 0 H ILE A 56 -2.652 -2.605 0.824 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.267 -1.285 3.434 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.188 -0.434 0.715 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.169 -2.552 1.433 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.986 -1.234 1.465 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.219 1.089 2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.514 1.409 2.295 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.587 0.528 3.532 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.230 -2.661 3.436 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.703 -1.028 3.909 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.470 -2.367 3.876 1.00 0.00 H new ATOM 842 N PHE A 57 -4.052 0.393 3.040 1.00 0.00 N ATOM 843 CA PHE A 57 -5.156 1.327 2.854 1.00 0.00 C ATOM 844 C PHE A 57 -4.653 2.768 2.839 1.00 0.00 C ATOM 845 O PHE A 57 -3.649 3.094 3.471 1.00 0.00 O ATOM 846 CB PHE A 57 -6.195 1.150 3.964 1.00 0.00 C ATOM 847 CG PHE A 57 -7.055 -0.069 3.790 1.00 0.00 C ATOM 848 CD1 PHE A 57 -6.482 -1.317 3.607 1.00 0.00 C ATOM 849 CD2 PHE A 57 -8.437 0.033 3.810 1.00 0.00 C ATOM 850 CE1 PHE A 57 -7.271 -2.440 3.447 1.00 0.00 C ATOM 851 CE2 PHE A 57 -9.231 -1.087 3.651 1.00 0.00 C ATOM 852 CZ PHE A 57 -8.647 -2.325 3.470 1.00 0.00 C ATOM 0 H PHE A 57 -3.747 0.287 4.008 1.00 0.00 H new ATOM 0 HA PHE A 57 -5.622 1.113 1.892 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.683 1.090 4.924 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.833 2.033 3.998 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.406 -1.413 3.589 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.899 0.999 3.951 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.812 -3.407 3.304 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.307 -0.994 3.668 1.00 0.00 H new ATOM 0 HZ PHE A 57 -9.265 -3.202 3.347 1.00 0.00 H new ATOM 862 N LYS A 58 -5.359 3.627 2.110 1.00 0.00 N ATOM 863 CA LYS A 58 -4.987 5.033 2.011 1.00 0.00 C ATOM 864 C LYS A 58 -5.605 5.841 3.148 1.00 0.00 C ATOM 865 O LYS A 58 -6.443 5.337 3.896 1.00 0.00 O ATOM 866 CB LYS A 58 -5.431 5.606 0.664 1.00 0.00 C ATOM 867 CG LYS A 58 -4.444 5.348 -0.462 1.00 0.00 C ATOM 868 CD LYS A 58 -5.148 5.227 -1.803 1.00 0.00 C ATOM 869 CE LYS A 58 -6.152 6.351 -2.010 1.00 0.00 C ATOM 870 NZ LYS A 58 -6.852 6.236 -3.319 1.00 0.00 N ATOM 0 H LYS A 58 -6.192 3.373 1.579 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.902 5.102 2.088 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.396 5.176 0.396 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.579 6.681 0.767 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.717 6.159 -0.503 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.888 4.433 -0.258 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.410 5.245 -2.605 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.659 4.266 -1.861 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.885 6.336 -1.204 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.639 7.311 -1.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.667 7.087 -3.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.503 5.398 -3.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.875 6.142 -3.158 1.00 0.00 H new ATOM 884 N SER A 59 -5.187 7.097 3.270 1.00 0.00 N ATOM 885 CA SER A 59 -5.699 7.974 4.317 1.00 0.00 C ATOM 886 C SER A 59 -7.212 8.131 4.203 1.00 0.00 C ATOM 887 O SER A 59 -7.880 8.526 5.158 1.00 0.00 O ATOM 888 CB SER A 59 -5.024 9.345 4.238 1.00 0.00 C ATOM 889 OG SER A 59 -5.431 10.047 3.076 1.00 0.00 O ATOM 0 H SER A 59 -4.496 7.530 2.657 1.00 0.00 H new ATOM 0 HA SER A 59 -5.471 7.520 5.281 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.273 9.928 5.125 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.941 9.221 4.231 1.00 0.00 H new ATOM 0 HG SER A 59 -4.987 10.920 3.049 1.00 0.00 H new ATOM 895 N ASP A 60 -7.745 7.819 3.027 1.00 0.00 N ATOM 896 CA ASP A 60 -9.180 7.925 2.786 1.00 0.00 C ATOM 897 C ASP A 60 -9.849 6.557 2.885 1.00 0.00 C ATOM 898 O ASP A 60 -10.930 6.343 2.335 1.00 0.00 O ATOM 899 CB ASP A 60 -9.444 8.537 1.410 1.00 0.00 C ATOM 900 CG ASP A 60 -9.291 10.046 1.409 1.00 0.00 C ATOM 901 OD1 ASP A 60 -10.083 10.723 2.098 1.00 0.00 O ATOM 902 OD2 ASP A 60 -8.380 10.549 0.719 1.00 0.00 O ATOM 0 H ASP A 60 -7.206 7.491 2.226 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.605 8.575 3.551 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.755 8.104 0.685 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.452 8.277 1.087 1.00 0.00 H new ATOM 907 N ARG A 61 -9.199 5.635 3.588 1.00 0.00 N ATOM 908 CA ARG A 61 -9.731 4.288 3.756 1.00 0.00 C ATOM 909 C ARG A 61 -9.994 3.634 2.403 1.00 0.00 C ATOM 910 O ARG A 61 -11.066 3.075 2.172 1.00 0.00 O ATOM 911 CB ARG A 61 -11.021 4.325 4.577 1.00 0.00 C ATOM 912 CG ARG A 61 -10.796 4.179 6.073 1.00 0.00 C ATOM 913 CD ARG A 61 -12.111 4.192 6.838 1.00 0.00 C ATOM 914 NE ARG A 61 -12.500 5.543 7.232 1.00 0.00 N ATOM 915 CZ ARG A 61 -13.192 6.366 6.451 1.00 0.00 C ATOM 916 NH1 ARG A 61 -13.568 5.977 5.241 1.00 0.00 N ATOM 917 NH2 ARG A 61 -13.509 7.581 6.881 1.00 0.00 N ATOM 0 H ARG A 61 -8.304 5.796 4.050 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.987 3.695 4.288 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.536 5.266 4.386 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.680 3.526 4.238 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.266 3.248 6.273 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.160 4.990 6.427 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.895 3.755 6.220 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.020 3.567 7.726 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.226 5.873 8.157 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.326 5.044 4.907 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.099 6.611 4.644 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.221 7.884 7.812 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.040 8.212 6.281 1.00 0.00 H new ATOM 931 N GLN A 62 -9.009 3.710 1.513 1.00 0.00 N ATOM 932 CA GLN A 62 -9.136 3.127 0.183 1.00 0.00 C ATOM 933 C GLN A 62 -7.940 2.236 -0.137 1.00 0.00 C ATOM 934 O GLN A 62 -6.820 2.719 -0.299 1.00 0.00 O ATOM 935 CB GLN A 62 -9.262 4.229 -0.870 1.00 0.00 C ATOM 936 CG GLN A 62 -10.699 4.631 -1.160 1.00 0.00 C ATOM 937 CD GLN A 62 -10.797 5.946 -1.907 1.00 0.00 C ATOM 938 OE1 GLN A 62 -11.227 5.989 -3.060 1.00 0.00 O ATOM 939 NE2 GLN A 62 -10.399 7.030 -1.252 1.00 0.00 N ATOM 0 H GLN A 62 -8.115 4.169 1.689 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.037 2.514 0.167 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.709 5.106 -0.534 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.794 3.892 -1.795 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.180 3.848 -1.746 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.247 4.709 -0.221 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.049 6.949 -0.297 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.443 7.944 -1.703 1.00 0.00 H new ATOM 948 N ALA A 63 -8.186 0.933 -0.226 1.00 0.00 N ATOM 949 CA ALA A 63 -7.130 -0.025 -0.528 1.00 0.00 C ATOM 950 C ALA A 63 -6.326 0.411 -1.748 1.00 0.00 C ATOM 951 O ALA A 63 -6.732 0.179 -2.886 1.00 0.00 O ATOM 952 CB ALA A 63 -7.720 -1.410 -0.750 1.00 0.00 C ATOM 0 H ALA A 63 -9.108 0.517 -0.093 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.454 -0.063 0.326 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.919 -2.115 -0.975 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.244 -1.731 0.150 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.420 -1.378 -1.585 1.00 0.00 H new ATOM 958 N ALA A 64 -5.183 1.044 -1.502 1.00 0.00 N ATOM 959 CA ALA A 64 -4.322 1.511 -2.581 1.00 0.00 C ATOM 960 C ALA A 64 -3.737 0.340 -3.363 1.00 0.00 C ATOM 961 O ALA A 64 -3.535 0.428 -4.574 1.00 0.00 O ATOM 962 CB ALA A 64 -3.208 2.386 -2.026 1.00 0.00 C ATOM 0 H ALA A 64 -4.833 1.245 -0.565 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.929 2.104 -3.265 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.573 2.728 -2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.641 3.248 -1.518 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.611 1.810 -1.319 1.00 0.00 H new ATOM 968 N GLY A 65 -3.466 -0.757 -2.663 1.00 0.00 N ATOM 969 CA GLY A 65 -2.906 -1.930 -3.308 1.00 0.00 C ATOM 970 C GLY A 65 -2.135 -2.810 -2.345 1.00 0.00 C ATOM 971 O GLY A 65 -1.814 -2.392 -1.231 1.00 0.00 O ATOM 0 H GLY A 65 -3.624 -0.854 -1.660 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.710 -2.510 -3.761 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.245 -1.616 -4.116 1.00 0.00 H new ATOM 975 N LYS A 66 -1.836 -4.032 -2.771 1.00 0.00 N ATOM 976 CA LYS A 66 -1.098 -4.975 -1.939 1.00 0.00 C ATOM 977 C LYS A 66 0.406 -4.767 -2.084 1.00 0.00 C ATOM 978 O LYS A 66 0.881 -4.311 -3.125 1.00 0.00 O ATOM 979 CB LYS A 66 -1.464 -6.413 -2.313 1.00 0.00 C ATOM 980 CG LYS A 66 -2.649 -6.961 -1.537 1.00 0.00 C ATOM 981 CD LYS A 66 -2.842 -8.447 -1.790 1.00 0.00 C ATOM 982 CE LYS A 66 -4.240 -8.902 -1.400 1.00 0.00 C ATOM 983 NZ LYS A 66 -4.564 -10.243 -1.960 1.00 0.00 N ATOM 0 H LYS A 66 -2.094 -4.393 -3.689 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.373 -4.796 -0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.687 -6.457 -3.379 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.600 -7.055 -2.142 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.498 -6.789 -0.471 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.553 -6.422 -1.822 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.669 -8.663 -2.844 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.103 -9.013 -1.223 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.322 -8.933 -0.314 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.970 -8.175 -1.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.525 -10.517 -1.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.511 -10.208 -2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.883 -10.942 -1.602 1.00 0.00 H new ATOM 997 N ILE A 67 1.149 -5.105 -1.036 1.00 0.00 N ATOM 998 CA ILE A 67 2.599 -4.958 -1.049 1.00 0.00 C ATOM 999 C ILE A 67 3.228 -5.806 -2.149 1.00 0.00 C ATOM 1000 O ILE A 67 2.942 -6.997 -2.270 1.00 0.00 O ATOM 1001 CB ILE A 67 3.218 -5.353 0.305 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.026 -4.229 1.325 1.00 0.00 C ATOM 1003 CG2 ILE A 67 4.695 -5.678 0.138 1.00 0.00 C ATOM 1004 CD1 ILE A 67 2.907 -4.721 2.751 1.00 0.00 C ATOM 0 H ILE A 67 0.771 -5.483 -0.167 1.00 0.00 H new ATOM 0 HA ILE A 67 2.807 -3.905 -1.241 1.00 0.00 H new ATOM 0 HB ILE A 67 2.710 -6.244 0.674 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.867 -3.539 1.256 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.129 -3.665 1.068 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.118 -5.955 1.104 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.808 -6.508 -0.560 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.218 -4.804 -0.250 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.773 -3.870 3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.049 -5.388 2.835 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.813 -5.260 3.027 1.00 0.00 H new ATOM 1016 N PHE A 68 4.088 -5.184 -2.949 1.00 0.00 N ATOM 1017 CA PHE A 68 4.759 -5.882 -4.040 1.00 0.00 C ATOM 1018 C PHE A 68 6.152 -6.340 -3.617 1.00 0.00 C ATOM 1019 O PHE A 68 6.656 -7.354 -4.099 1.00 0.00 O ATOM 1020 CB PHE A 68 4.858 -4.976 -5.269 1.00 0.00 C ATOM 1021 CG PHE A 68 6.042 -5.279 -6.143 1.00 0.00 C ATOM 1022 CD1 PHE A 68 5.982 -6.290 -7.088 1.00 0.00 C ATOM 1023 CD2 PHE A 68 7.215 -4.551 -6.020 1.00 0.00 C ATOM 1024 CE1 PHE A 68 7.070 -6.571 -7.892 1.00 0.00 C ATOM 1025 CE2 PHE A 68 8.306 -4.827 -6.822 1.00 0.00 C ATOM 1026 CZ PHE A 68 8.233 -5.838 -7.760 1.00 0.00 C ATOM 0 H PHE A 68 4.337 -4.199 -2.862 1.00 0.00 H new ATOM 0 HA PHE A 68 4.168 -6.762 -4.293 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.946 -5.076 -5.858 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.914 -3.938 -4.942 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.074 -6.865 -7.198 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.277 -3.759 -5.289 1.00 0.00 H new ATOM 0 HE1 PHE A 68 7.011 -7.364 -8.623 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.215 -4.253 -6.715 1.00 0.00 H new ATOM 0 HZ PHE A 68 9.084 -6.055 -8.389 1.00 0.00 H new ATOM 1036 N GLU A 69 6.768 -5.583 -2.715 1.00 0.00 N ATOM 1037 CA GLU A 69 8.104 -5.910 -2.228 1.00 0.00 C ATOM 1038 C GLU A 69 8.429 -5.123 -0.962 1.00 0.00 C ATOM 1039 O GLU A 69 7.946 -4.007 -0.771 1.00 0.00 O ATOM 1040 CB GLU A 69 9.149 -5.617 -3.307 1.00 0.00 C ATOM 1041 CG GLU A 69 10.581 -5.716 -2.809 1.00 0.00 C ATOM 1042 CD GLU A 69 11.566 -6.017 -3.922 1.00 0.00 C ATOM 1043 OE1 GLU A 69 11.359 -7.016 -4.643 1.00 0.00 O ATOM 1044 OE2 GLU A 69 12.543 -5.255 -4.073 1.00 0.00 O ATOM 0 H GLU A 69 6.364 -4.740 -2.307 1.00 0.00 H new ATOM 0 HA GLU A 69 8.127 -6.973 -1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.011 -6.314 -4.133 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.979 -4.616 -3.703 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.859 -4.779 -2.326 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.645 -6.497 -2.051 1.00 0.00 H new ATOM 1051 N ILE A 70 9.251 -5.713 -0.101 1.00 0.00 N ATOM 1052 CA ILE A 70 9.642 -5.068 1.146 1.00 0.00 C ATOM 1053 C ILE A 70 11.149 -5.159 1.364 1.00 0.00 C ATOM 1054 O ILE A 70 11.742 -6.229 1.231 1.00 0.00 O ATOM 1055 CB ILE A 70 8.921 -5.695 2.354 1.00 0.00 C ATOM 1056 CG1 ILE A 70 7.405 -5.638 2.157 1.00 0.00 C ATOM 1057 CG2 ILE A 70 9.322 -4.983 3.638 1.00 0.00 C ATOM 1058 CD1 ILE A 70 6.623 -6.199 3.324 1.00 0.00 C ATOM 0 H ILE A 70 9.659 -6.637 -0.244 1.00 0.00 H new ATOM 0 HA ILE A 70 9.352 -4.020 1.064 1.00 0.00 H new ATOM 0 HB ILE A 70 9.218 -6.741 2.434 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.107 -4.602 1.994 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.143 -6.191 1.255 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.804 -5.437 4.483 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.399 -5.071 3.782 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.050 -3.930 3.570 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.556 -6.126 3.115 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.893 -7.244 3.474 1.00 0.00 H new ATOM 0 HD13 ILE A 70 6.856 -5.631 4.225 1.00 0.00 H new ATOM 1070 N PHE A 71 11.762 -4.029 1.701 1.00 0.00 N ATOM 1071 CA PHE A 71 13.200 -3.981 1.939 1.00 0.00 C ATOM 1072 C PHE A 71 13.532 -3.009 3.066 1.00 0.00 C ATOM 1073 O PHE A 71 12.671 -2.264 3.533 1.00 0.00 O ATOM 1074 CB PHE A 71 13.935 -3.569 0.662 1.00 0.00 C ATOM 1075 CG PHE A 71 13.421 -2.294 0.058 1.00 0.00 C ATOM 1076 CD1 PHE A 71 13.781 -1.066 0.590 1.00 0.00 C ATOM 1077 CD2 PHE A 71 12.577 -2.322 -1.041 1.00 0.00 C ATOM 1078 CE1 PHE A 71 13.310 0.110 0.037 1.00 0.00 C ATOM 1079 CE2 PHE A 71 12.104 -1.150 -1.598 1.00 0.00 C ATOM 1080 CZ PHE A 71 12.470 0.068 -1.058 1.00 0.00 C ATOM 0 H PHE A 71 11.285 -3.134 1.815 1.00 0.00 H new ATOM 0 HA PHE A 71 13.528 -4.978 2.234 1.00 0.00 H new ATOM 0 HB2 PHE A 71 14.996 -3.454 0.884 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.848 -4.370 -0.072 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.437 -1.027 1.447 1.00 0.00 H new ATOM 0 HD2 PHE A 71 12.286 -3.271 -1.467 1.00 0.00 H new ATOM 0 HE1 PHE A 71 13.599 1.060 0.461 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.448 -1.186 -2.455 1.00 0.00 H new ATOM 0 HZ PHE A 71 12.100 0.985 -1.492 1.00 0.00 H new ATOM 1090 N GLY A 72 14.789 -3.022 3.500 1.00 0.00 N ATOM 1091 CA GLY A 72 15.214 -2.139 4.570 1.00 0.00 C ATOM 1092 C GLY A 72 15.509 -2.885 5.856 1.00 0.00 C ATOM 1093 O GLY A 72 15.710 -4.100 5.862 1.00 0.00 O ATOM 0 H GLY A 72 15.520 -3.629 3.129 1.00 0.00 H new ATOM 0 HA2 GLY A 72 16.106 -1.596 4.256 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.437 -1.397 4.754 1.00 0.00 H new ATOM 1097 N PRO A 73 15.541 -2.150 6.978 1.00 0.00 N ATOM 1098 CA PRO A 73 15.814 -2.730 8.296 1.00 0.00 C ATOM 1099 C PRO A 73 14.673 -3.613 8.790 1.00 0.00 C ATOM 1100 O PRO A 73 13.813 -4.025 8.011 1.00 0.00 O ATOM 1101 CB PRO A 73 15.969 -1.502 9.198 1.00 0.00 C ATOM 1102 CG PRO A 73 15.184 -0.433 8.520 1.00 0.00 C ATOM 1103 CD PRO A 73 15.311 -0.697 7.045 1.00 0.00 C ATOM 0 HA PRO A 73 16.689 -3.380 8.282 1.00 0.00 H new ATOM 0 HB2 PRO A 73 15.589 -1.697 10.201 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.016 -1.218 9.304 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.140 -0.458 8.832 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.569 0.555 8.774 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.409 -0.407 6.506 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.138 -0.138 6.606 1.00 0.00 H new ATOM 1111 N VAL A 74 14.671 -3.899 10.088 1.00 0.00 N ATOM 1112 CA VAL A 74 13.634 -4.731 10.685 1.00 0.00 C ATOM 1113 C VAL A 74 12.722 -3.909 11.589 1.00 0.00 C ATOM 1114 O VAL A 74 11.709 -4.405 12.081 1.00 0.00 O ATOM 1115 CB VAL A 74 14.244 -5.886 11.503 1.00 0.00 C ATOM 1116 CG1 VAL A 74 14.950 -5.351 12.739 1.00 0.00 C ATOM 1117 CG2 VAL A 74 13.169 -6.892 11.886 1.00 0.00 C ATOM 0 H VAL A 74 15.376 -3.567 10.746 1.00 0.00 H new ATOM 0 HA VAL A 74 13.049 -5.145 9.864 1.00 0.00 H new ATOM 0 HB VAL A 74 14.983 -6.396 10.885 1.00 0.00 H new ATOM 0 HG11 VAL A 74 15.374 -6.181 13.304 1.00 0.00 H new ATOM 0 HG12 VAL A 74 15.748 -4.672 12.437 1.00 0.00 H new ATOM 0 HG13 VAL A 74 14.235 -4.815 13.363 1.00 0.00 H new ATOM 0 HG21 VAL A 74 13.617 -7.701 12.463 1.00 0.00 H new ATOM 0 HG22 VAL A 74 12.405 -6.398 12.486 1.00 0.00 H new ATOM 0 HG23 VAL A 74 12.714 -7.299 10.983 1.00 0.00 H new ATOM 1127 N ALA A 75 13.089 -2.650 11.803 1.00 0.00 N ATOM 1128 CA ALA A 75 12.303 -1.758 12.646 1.00 0.00 C ATOM 1129 C ALA A 75 11.697 -0.622 11.828 1.00 0.00 C ATOM 1130 O ALA A 75 10.617 -0.123 12.144 1.00 0.00 O ATOM 1131 CB ALA A 75 13.163 -1.200 13.771 1.00 0.00 C ATOM 0 H ALA A 75 13.926 -2.225 11.404 1.00 0.00 H new ATOM 0 HA ALA A 75 11.486 -2.335 13.080 1.00 0.00 H new ATOM 0 HB1 ALA A 75 12.563 -0.535 14.392 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.543 -2.021 14.379 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.000 -0.644 13.348 1.00 0.00 H new ATOM 1137 N HIS A 76 12.400 -0.217 10.775 1.00 0.00 N ATOM 1138 CA HIS A 76 11.931 0.860 9.911 1.00 0.00 C ATOM 1139 C HIS A 76 12.039 0.465 8.441 1.00 0.00 C ATOM 1140 O HIS A 76 12.553 1.212 7.608 1.00 0.00 O ATOM 1141 CB HIS A 76 12.734 2.135 10.169 1.00 0.00 C ATOM 1142 CG HIS A 76 14.170 1.880 10.510 1.00 0.00 C ATOM 1143 ND1 HIS A 76 15.217 2.536 9.898 1.00 0.00 N ATOM 1144 CD2 HIS A 76 14.730 1.035 11.407 1.00 0.00 C ATOM 1145 CE1 HIS A 76 16.359 2.104 10.403 1.00 0.00 C ATOM 1146 NE2 HIS A 76 16.091 1.193 11.321 1.00 0.00 N ATOM 0 H HIS A 76 13.296 -0.618 10.500 1.00 0.00 H new ATOM 0 HA HIS A 76 10.882 1.047 10.142 1.00 0.00 H new ATOM 0 HB2 HIS A 76 12.686 2.770 9.284 1.00 0.00 H new ATOM 0 HB3 HIS A 76 12.268 2.689 10.984 1.00 0.00 H new ATOM 0 HD2 HIS A 76 14.204 0.362 12.068 1.00 0.00 H new ATOM 0 HE1 HIS A 76 17.344 2.439 10.114 1.00 0.00 H new ATOM 0 HE2 HIS A 76 16.783 0.689 11.876 1.00 0.00 H new ATOM 1154 N PRO A 77 11.545 -0.738 8.113 1.00 0.00 N ATOM 1155 CA PRO A 77 11.575 -1.260 6.744 1.00 0.00 C ATOM 1156 C PRO A 77 10.626 -0.508 5.816 1.00 0.00 C ATOM 1157 O PRO A 77 9.602 0.017 6.253 1.00 0.00 O ATOM 1158 CB PRO A 77 11.123 -2.713 6.908 1.00 0.00 C ATOM 1159 CG PRO A 77 10.305 -2.717 8.153 1.00 0.00 C ATOM 1160 CD PRO A 77 10.918 -1.681 9.055 1.00 0.00 C ATOM 0 HA PRO A 77 12.560 -1.155 6.289 1.00 0.00 H new ATOM 0 HB2 PRO A 77 10.539 -3.045 6.050 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.976 -3.386 6.993 1.00 0.00 H new ATOM 0 HG2 PRO A 77 9.264 -2.479 7.936 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.316 -3.700 8.624 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.166 -1.191 9.674 1.00 0.00 H new ATOM 0 HD3 PRO A 77 11.651 -2.120 9.732 1.00 0.00 H new ATOM 1168 N PHE A 78 10.973 -0.461 4.534 1.00 0.00 N ATOM 1169 CA PHE A 78 10.152 0.227 3.545 1.00 0.00 C ATOM 1170 C PHE A 78 9.350 -0.771 2.715 1.00 0.00 C ATOM 1171 O PHE A 78 9.895 -1.750 2.204 1.00 0.00 O ATOM 1172 CB PHE A 78 11.029 1.082 2.628 1.00 0.00 C ATOM 1173 CG PHE A 78 12.157 1.766 3.346 1.00 0.00 C ATOM 1174 CD1 PHE A 78 13.271 1.051 3.754 1.00 0.00 C ATOM 1175 CD2 PHE A 78 12.103 3.125 3.613 1.00 0.00 C ATOM 1176 CE1 PHE A 78 14.311 1.678 4.414 1.00 0.00 C ATOM 1177 CE2 PHE A 78 13.140 3.757 4.272 1.00 0.00 C ATOM 1178 CZ PHE A 78 14.245 3.033 4.674 1.00 0.00 C ATOM 0 H PHE A 78 11.817 -0.891 4.156 1.00 0.00 H new ATOM 0 HA PHE A 78 9.455 0.875 4.076 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.440 0.451 1.840 1.00 0.00 H new ATOM 0 HB3 PHE A 78 10.408 1.835 2.143 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.328 -0.009 3.554 1.00 0.00 H new ATOM 0 HD2 PHE A 78 11.241 3.696 3.302 1.00 0.00 H new ATOM 0 HE1 PHE A 78 15.174 1.109 4.726 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.086 4.817 4.473 1.00 0.00 H new ATOM 0 HZ PHE A 78 15.056 3.525 5.191 1.00 0.00 H new ATOM 1188 N TYR A 79 8.053 -0.517 2.585 1.00 0.00 N ATOM 1189 CA TYR A 79 7.175 -1.394 1.820 1.00 0.00 C ATOM 1190 C TYR A 79 6.919 -0.827 0.427 1.00 0.00 C ATOM 1191 O TYR A 79 6.891 0.388 0.233 1.00 0.00 O ATOM 1192 CB TYR A 79 5.848 -1.589 2.555 1.00 0.00 C ATOM 1193 CG TYR A 79 6.010 -2.053 3.985 1.00 0.00 C ATOM 1194 CD1 TYR A 79 6.419 -1.173 4.979 1.00 0.00 C ATOM 1195 CD2 TYR A 79 5.753 -3.371 4.341 1.00 0.00 C ATOM 1196 CE1 TYR A 79 6.569 -1.593 6.287 1.00 0.00 C ATOM 1197 CE2 TYR A 79 5.900 -3.800 5.646 1.00 0.00 C ATOM 1198 CZ TYR A 79 6.308 -2.907 6.615 1.00 0.00 C ATOM 1199 OH TYR A 79 6.456 -3.329 7.917 1.00 0.00 O ATOM 0 H TYR A 79 7.586 0.289 3.000 1.00 0.00 H new ATOM 0 HA TYR A 79 7.670 -2.360 1.715 1.00 0.00 H new ATOM 0 HB2 TYR A 79 5.297 -0.649 2.547 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.245 -2.317 2.012 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.623 -0.143 4.725 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.433 -4.072 3.585 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.889 -0.896 7.048 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.697 -4.828 5.906 1.00 0.00 H new ATOM 0 HH TYR A 79 6.232 -4.281 7.980 1.00 0.00 H new ATOM 1209 N VAL A 80 6.731 -1.718 -0.542 1.00 0.00 N ATOM 1210 CA VAL A 80 6.475 -1.309 -1.918 1.00 0.00 C ATOM 1211 C VAL A 80 5.044 -1.634 -2.331 1.00 0.00 C ATOM 1212 O VAL A 80 4.490 -2.661 -1.935 1.00 0.00 O ATOM 1213 CB VAL A 80 7.448 -1.992 -2.897 1.00 0.00 C ATOM 1214 CG1 VAL A 80 7.281 -1.425 -4.299 1.00 0.00 C ATOM 1215 CG2 VAL A 80 8.883 -1.835 -2.417 1.00 0.00 C ATOM 0 H VAL A 80 6.751 -2.728 -0.399 1.00 0.00 H new ATOM 0 HA VAL A 80 6.626 -0.230 -1.961 1.00 0.00 H new ATOM 0 HB VAL A 80 7.215 -3.056 -2.931 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.977 -1.920 -4.977 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.260 -1.594 -4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.487 -0.355 -4.286 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.557 -2.323 -3.120 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.131 -0.776 -2.352 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.990 -2.293 -1.434 1.00 0.00 H new ATOM 1225 N LEU A 81 4.450 -0.755 -3.130 1.00 0.00 N ATOM 1226 CA LEU A 81 3.082 -0.948 -3.599 1.00 0.00 C ATOM 1227 C LEU A 81 3.061 -1.324 -5.077 1.00 0.00 C ATOM 1228 O LEU A 81 3.872 -0.834 -5.863 1.00 0.00 O ATOM 1229 CB LEU A 81 2.260 0.321 -3.371 1.00 0.00 C ATOM 1230 CG LEU A 81 1.573 0.441 -2.010 1.00 0.00 C ATOM 1231 CD1 LEU A 81 0.554 1.570 -2.024 1.00 0.00 C ATOM 1232 CD2 LEU A 81 0.910 -0.874 -1.630 1.00 0.00 C ATOM 0 H LEU A 81 4.894 0.099 -3.467 1.00 0.00 H new ATOM 0 HA LEU A 81 2.641 -1.766 -3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.915 1.182 -3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.497 0.380 -4.147 1.00 0.00 H new ATOM 0 HG LEU A 81 2.330 0.673 -1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.075 1.640 -1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.056 2.511 -2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.201 1.369 -2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.426 -0.770 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.164 -1.136 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.664 -1.660 -1.578 1.00 0.00 H new ATOM 1244 N ARG A 82 2.127 -2.193 -5.448 1.00 0.00 N ATOM 1245 CA ARG A 82 1.999 -2.633 -6.832 1.00 0.00 C ATOM 1246 C ARG A 82 1.140 -1.661 -7.635 1.00 0.00 C ATOM 1247 O ARG A 82 0.197 -1.069 -7.108 1.00 0.00 O ATOM 1248 CB ARG A 82 1.391 -4.036 -6.890 1.00 0.00 C ATOM 1249 CG ARG A 82 0.840 -4.405 -8.257 1.00 0.00 C ATOM 1250 CD ARG A 82 1.956 -4.660 -9.258 1.00 0.00 C ATOM 1251 NE ARG A 82 1.524 -4.423 -10.633 1.00 0.00 N ATOM 1252 CZ ARG A 82 2.230 -4.786 -11.698 1.00 0.00 C ATOM 1253 NH1 ARG A 82 3.395 -5.400 -11.547 1.00 0.00 N ATOM 1254 NH2 ARG A 82 1.770 -4.536 -12.917 1.00 0.00 N ATOM 0 H ARG A 82 1.448 -2.607 -4.809 1.00 0.00 H new ATOM 0 HA ARG A 82 2.996 -2.658 -7.272 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.151 -4.764 -6.605 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.590 -4.106 -6.154 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.217 -5.295 -8.171 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.200 -3.602 -8.621 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.803 -4.014 -9.028 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.303 -5.689 -9.159 1.00 0.00 H new ATOM 0 HE ARG A 82 0.631 -3.953 -10.784 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.751 -5.595 -10.611 1.00 0.00 H new ATOM 0 HH12 ARG A 82 3.935 -5.678 -12.366 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.873 -4.065 -13.037 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.313 -4.815 -13.734 1.00 0.00 H new ATOM 1268 N PHE A 83 1.472 -1.500 -8.911 1.00 0.00 N ATOM 1269 CA PHE A 83 0.731 -0.599 -9.786 1.00 0.00 C ATOM 1270 C PHE A 83 1.103 -0.832 -11.248 1.00 0.00 C ATOM 1271 O PHE A 83 2.281 -0.853 -11.604 1.00 0.00 O ATOM 1272 CB PHE A 83 1.007 0.857 -9.404 1.00 0.00 C ATOM 1273 CG PHE A 83 0.258 1.308 -8.184 1.00 0.00 C ATOM 1274 CD1 PHE A 83 -1.111 1.520 -8.233 1.00 0.00 C ATOM 1275 CD2 PHE A 83 0.922 1.521 -6.986 1.00 0.00 C ATOM 1276 CE1 PHE A 83 -1.803 1.936 -7.111 1.00 0.00 C ATOM 1277 CE2 PHE A 83 0.234 1.936 -5.861 1.00 0.00 C ATOM 1278 CZ PHE A 83 -1.129 2.144 -5.924 1.00 0.00 C ATOM 0 H PHE A 83 2.249 -1.982 -9.363 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.332 -0.805 -9.663 1.00 0.00 H new ATOM 0 HB2 PHE A 83 2.076 0.983 -9.232 1.00 0.00 H new ATOM 0 HB3 PHE A 83 0.741 1.501 -10.242 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.643 1.358 -9.159 1.00 0.00 H new ATOM 0 HD2 PHE A 83 1.989 1.361 -6.931 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.870 2.098 -7.163 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.763 2.097 -4.933 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.668 2.469 -5.046 1.00 0.00 H new ATOM 1288 N ASN A 84 0.090 -1.008 -12.089 1.00 0.00 N ATOM 1289 CA ASN A 84 0.309 -1.241 -13.512 1.00 0.00 C ATOM 1290 C ASN A 84 1.184 -0.145 -14.114 1.00 0.00 C ATOM 1291 O ASN A 84 2.126 -0.426 -14.855 1.00 0.00 O ATOM 1292 CB ASN A 84 -1.029 -1.306 -14.252 1.00 0.00 C ATOM 1293 CG ASN A 84 -1.953 -0.164 -13.875 1.00 0.00 C ATOM 1294 OD1 ASN A 84 -1.682 0.997 -14.182 1.00 0.00 O ATOM 1295 ND2 ASN A 84 -3.053 -0.491 -13.207 1.00 0.00 N ATOM 0 H ASN A 84 -0.891 -0.994 -11.810 1.00 0.00 H new ATOM 0 HA ASN A 84 0.824 -2.195 -13.624 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -0.848 -1.284 -15.327 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -1.518 -2.254 -14.030 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.714 0.234 -12.927 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -3.237 -1.467 -12.974 1.00 0.00 H new ATOM 1302 N SER A 85 0.865 1.104 -13.790 1.00 0.00 N ATOM 1303 CA SER A 85 1.619 2.242 -14.301 1.00 0.00 C ATOM 1304 C SER A 85 1.620 3.389 -13.295 1.00 0.00 C ATOM 1305 O SER A 85 1.076 3.267 -12.198 1.00 0.00 O ATOM 1306 CB SER A 85 1.030 2.716 -15.631 1.00 0.00 C ATOM 1307 OG SER A 85 1.342 1.813 -16.678 1.00 0.00 O ATOM 0 H SER A 85 0.090 1.353 -13.176 1.00 0.00 H new ATOM 0 HA SER A 85 2.648 1.921 -14.462 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.052 2.812 -15.540 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.418 3.705 -15.872 1.00 0.00 H new ATOM 0 HG SER A 85 1.775 1.017 -16.305 1.00 0.00 H new ATOM 1313 N SER A 86 2.234 4.504 -13.678 1.00 0.00 N ATOM 1314 CA SER A 86 2.310 5.672 -12.810 1.00 0.00 C ATOM 1315 C SER A 86 0.930 6.292 -12.611 1.00 0.00 C ATOM 1316 O SER A 86 0.517 6.566 -11.484 1.00 0.00 O ATOM 1317 CB SER A 86 3.267 6.711 -13.398 1.00 0.00 C ATOM 1318 OG SER A 86 3.402 7.827 -12.535 1.00 0.00 O ATOM 0 H SER A 86 2.686 4.623 -14.585 1.00 0.00 H new ATOM 0 HA SER A 86 2.688 5.348 -11.840 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.244 6.257 -13.565 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.898 7.041 -14.369 1.00 0.00 H new ATOM 0 HG SER A 86 4.020 8.475 -12.933 1.00 0.00 H new ATOM 1324 N ASP A 87 0.222 6.510 -13.713 1.00 0.00 N ATOM 1325 CA ASP A 87 -1.112 7.096 -13.662 1.00 0.00 C ATOM 1326 C ASP A 87 -1.950 6.445 -12.565 1.00 0.00 C ATOM 1327 O ASP A 87 -2.685 7.123 -11.847 1.00 0.00 O ATOM 1328 CB ASP A 87 -1.812 6.943 -15.013 1.00 0.00 C ATOM 1329 CG ASP A 87 -2.861 8.013 -15.246 1.00 0.00 C ATOM 1330 OD1 ASP A 87 -3.639 8.296 -14.311 1.00 0.00 O ATOM 1331 OD2 ASP A 87 -2.903 8.567 -16.364 1.00 0.00 O ATOM 0 H ASP A 87 0.550 6.290 -14.653 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.007 8.157 -13.434 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.070 6.986 -15.810 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.281 5.961 -15.067 1.00 0.00 H new ATOM 1336 N HIS A 88 -1.833 5.127 -12.442 1.00 0.00 N ATOM 1337 CA HIS A 88 -2.580 4.384 -11.433 1.00 0.00 C ATOM 1338 C HIS A 88 -2.461 5.053 -10.067 1.00 0.00 C ATOM 1339 O HIS A 88 -3.451 5.208 -9.352 1.00 0.00 O ATOM 1340 CB HIS A 88 -2.077 2.943 -11.354 1.00 0.00 C ATOM 1341 CG HIS A 88 -3.135 1.960 -10.957 1.00 0.00 C ATOM 1342 ND1 HIS A 88 -2.921 0.598 -10.916 1.00 0.00 N ATOM 1343 CD2 HIS A 88 -4.422 2.148 -10.581 1.00 0.00 C ATOM 1344 CE1 HIS A 88 -4.030 -0.009 -10.534 1.00 0.00 C ATOM 1345 NE2 HIS A 88 -4.956 0.909 -10.323 1.00 0.00 N ATOM 0 H HIS A 88 -1.228 4.551 -13.028 1.00 0.00 H new ATOM 0 HA HIS A 88 -3.630 4.378 -11.725 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.671 2.655 -12.324 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -1.258 2.892 -10.637 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -4.934 3.096 -10.499 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.158 -1.075 -10.414 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -5.912 0.727 -10.018 1.00 0.00 H new ATOM 1353 N ILE A 89 -1.242 5.447 -9.711 1.00 0.00 N ATOM 1354 CA ILE A 89 -0.994 6.099 -8.431 1.00 0.00 C ATOM 1355 C ILE A 89 -1.574 7.509 -8.411 1.00 0.00 C ATOM 1356 O ILE A 89 -2.439 7.823 -7.594 1.00 0.00 O ATOM 1357 CB ILE A 89 0.512 6.171 -8.119 1.00 0.00 C ATOM 1358 CG1 ILE A 89 1.096 4.763 -7.987 1.00 0.00 C ATOM 1359 CG2 ILE A 89 0.752 6.971 -6.847 1.00 0.00 C ATOM 1360 CD1 ILE A 89 1.541 4.167 -9.304 1.00 0.00 C ATOM 0 H ILE A 89 -0.412 5.326 -10.291 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.486 5.495 -7.668 1.00 0.00 H new ATOM 0 HB ILE A 89 1.015 6.677 -8.943 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.946 4.794 -7.306 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.349 4.110 -7.536 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.821 7.013 -6.640 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.367 7.983 -6.975 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.239 6.491 -6.013 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.944 3.169 -9.134 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.689 4.104 -9.981 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.311 4.798 -9.747 1.00 0.00 H new ATOM 1372 N GLU A 90 -1.093 8.354 -9.317 1.00 0.00 N ATOM 1373 CA GLU A 90 -1.565 9.731 -9.404 1.00 0.00 C ATOM 1374 C GLU A 90 -3.052 9.818 -9.070 1.00 0.00 C ATOM 1375 O GLU A 90 -3.463 10.616 -8.227 1.00 0.00 O ATOM 1376 CB GLU A 90 -1.312 10.293 -10.804 1.00 0.00 C ATOM 1377 CG GLU A 90 0.135 10.682 -11.052 1.00 0.00 C ATOM 1378 CD GLU A 90 0.354 11.268 -12.433 1.00 0.00 C ATOM 1379 OE1 GLU A 90 0.365 10.492 -13.412 1.00 0.00 O ATOM 1380 OE2 GLU A 90 0.515 12.502 -12.536 1.00 0.00 O ATOM 0 H GLU A 90 -0.377 8.109 -10.001 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.011 10.325 -8.677 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.612 9.551 -11.544 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.945 11.167 -10.955 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.446 11.407 -10.300 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.769 9.804 -10.929 1.00 0.00 H new ATOM 1387 N SER A 91 -3.852 8.992 -9.736 1.00 0.00 N ATOM 1388 CA SER A 91 -5.293 8.979 -9.514 1.00 0.00 C ATOM 1389 C SER A 91 -5.613 8.723 -8.045 1.00 0.00 C ATOM 1390 O SER A 91 -6.384 9.458 -7.427 1.00 0.00 O ATOM 1391 CB SER A 91 -5.955 7.910 -10.386 1.00 0.00 C ATOM 1392 OG SER A 91 -7.309 8.233 -10.649 1.00 0.00 O ATOM 0 H SER A 91 -3.527 8.323 -10.434 1.00 0.00 H new ATOM 0 HA SER A 91 -5.687 9.957 -9.789 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.411 7.815 -11.326 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.899 6.943 -9.886 1.00 0.00 H new ATOM 0 HG SER A 91 -7.709 7.535 -11.209 1.00 0.00 H new ATOM 1398 N LYS A 92 -5.016 7.673 -7.490 1.00 0.00 N ATOM 1399 CA LYS A 92 -5.235 7.318 -6.093 1.00 0.00 C ATOM 1400 C LYS A 92 -4.946 8.504 -5.178 1.00 0.00 C ATOM 1401 O LYS A 92 -5.541 8.636 -4.109 1.00 0.00 O ATOM 1402 CB LYS A 92 -4.350 6.132 -5.702 1.00 0.00 C ATOM 1403 CG LYS A 92 -4.582 4.895 -6.551 1.00 0.00 C ATOM 1404 CD LYS A 92 -5.695 4.029 -5.983 1.00 0.00 C ATOM 1405 CE LYS A 92 -5.497 2.563 -6.337 1.00 0.00 C ATOM 1406 NZ LYS A 92 -6.752 1.778 -6.173 1.00 0.00 N ATOM 0 H LYS A 92 -4.376 7.053 -7.987 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.282 7.037 -5.976 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.304 6.427 -5.783 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.531 5.884 -4.656 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.835 5.193 -7.568 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.661 4.314 -6.609 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.728 4.141 -4.899 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.656 4.371 -6.368 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.150 2.482 -7.367 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.718 2.139 -5.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.575 0.784 -6.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -7.070 1.834 -5.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.488 2.167 -6.796 1.00 0.00 H new ATOM 1420 N GLY A 93 -4.030 9.367 -5.606 1.00 0.00 N ATOM 1421 CA GLY A 93 -3.680 10.532 -4.814 1.00 0.00 C ATOM 1422 C GLY A 93 -2.444 10.306 -3.966 1.00 0.00 C ATOM 1423 O GLY A 93 -2.070 11.161 -3.163 1.00 0.00 O ATOM 0 H GLY A 93 -3.524 9.280 -6.487 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.512 11.381 -5.477 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.518 10.793 -4.167 1.00 0.00 H new ATOM 1427 N ILE A 94 -1.811 9.151 -4.141 1.00 0.00 N ATOM 1428 CA ILE A 94 -0.611 8.815 -3.384 1.00 0.00 C ATOM 1429 C ILE A 94 0.580 9.648 -3.845 1.00 0.00 C ATOM 1430 O ILE A 94 0.768 9.874 -5.041 1.00 0.00 O ATOM 1431 CB ILE A 94 -0.262 7.321 -3.517 1.00 0.00 C ATOM 1432 CG1 ILE A 94 -1.498 6.460 -3.250 1.00 0.00 C ATOM 1433 CG2 ILE A 94 0.863 6.954 -2.561 1.00 0.00 C ATOM 1434 CD1 ILE A 94 -1.433 5.093 -3.894 1.00 0.00 C ATOM 0 H ILE A 94 -2.109 8.432 -4.800 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.824 9.038 -2.338 1.00 0.00 H new ATOM 0 HB ILE A 94 0.076 7.131 -4.536 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.622 6.340 -2.174 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.381 6.983 -3.616 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.099 5.895 -2.666 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.747 7.548 -2.794 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.550 7.156 -1.537 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.342 4.538 -3.663 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.341 5.204 -4.974 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.569 4.550 -3.510 1.00 0.00 H new ATOM 1446 N LYS A 95 1.384 10.100 -2.889 1.00 0.00 N ATOM 1447 CA LYS A 95 2.561 10.905 -3.196 1.00 0.00 C ATOM 1448 C LYS A 95 3.471 11.025 -1.977 1.00 0.00 C ATOM 1449 O LYS A 95 3.142 10.535 -0.896 1.00 0.00 O ATOM 1450 CB LYS A 95 2.142 12.298 -3.671 1.00 0.00 C ATOM 1451 CG LYS A 95 1.034 12.917 -2.837 1.00 0.00 C ATOM 1452 CD LYS A 95 1.586 13.601 -1.597 1.00 0.00 C ATOM 1453 CE LYS A 95 0.672 14.722 -1.125 1.00 0.00 C ATOM 1454 NZ LYS A 95 0.874 15.970 -1.912 1.00 0.00 N ATOM 0 H LYS A 95 1.242 9.923 -1.895 1.00 0.00 H new ATOM 0 HA LYS A 95 3.113 10.407 -3.993 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.011 12.956 -3.651 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.813 12.235 -4.708 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.485 13.641 -3.439 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.324 12.144 -2.542 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.707 12.868 -0.799 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.576 14.003 -1.812 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.367 14.403 -1.209 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.859 14.923 -0.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.233 16.710 -1.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.859 16.288 -1.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.671 15.785 -2.915 1.00 0.00 H new ATOM 1468 N ILE A 96 4.612 11.679 -2.159 1.00 0.00 N ATOM 1469 CA ILE A 96 5.567 11.865 -1.073 1.00 0.00 C ATOM 1470 C ILE A 96 4.930 12.604 0.099 1.00 0.00 C ATOM 1471 O ILE A 96 4.113 13.505 -0.091 1.00 0.00 O ATOM 1472 CB ILE A 96 6.809 12.646 -1.543 1.00 0.00 C ATOM 1473 CG1 ILE A 96 7.459 11.942 -2.736 1.00 0.00 C ATOM 1474 CG2 ILE A 96 7.804 12.794 -0.401 1.00 0.00 C ATOM 1475 CD1 ILE A 96 8.094 10.615 -2.382 1.00 0.00 C ATOM 0 H ILE A 96 4.898 12.089 -3.048 1.00 0.00 H new ATOM 0 HA ILE A 96 5.874 10.870 -0.749 1.00 0.00 H new ATOM 0 HB ILE A 96 6.497 13.642 -1.859 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.706 11.781 -3.507 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.218 12.596 -3.164 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.676 13.348 -0.748 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.335 13.333 0.422 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.114 11.807 -0.058 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.535 10.173 -3.275 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.871 10.771 -1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.334 9.943 -1.982 1.00 0.00 H new ATOM 1487 N LYS A 97 5.310 12.217 1.312 1.00 0.00 N ATOM 1488 CA LYS A 97 4.779 12.843 2.517 1.00 0.00 C ATOM 1489 C LYS A 97 3.317 12.462 2.729 1.00 0.00 C ATOM 1490 O LYS A 97 2.504 13.290 3.137 1.00 0.00 O ATOM 1491 CB LYS A 97 4.912 14.365 2.426 1.00 0.00 C ATOM 1492 CG LYS A 97 6.284 14.829 1.969 1.00 0.00 C ATOM 1493 CD LYS A 97 7.237 14.991 3.141 1.00 0.00 C ATOM 1494 CE LYS A 97 8.681 15.097 2.674 1.00 0.00 C ATOM 1495 NZ LYS A 97 9.545 15.759 3.690 1.00 0.00 N ATOM 0 H LYS A 97 5.984 11.472 1.487 1.00 0.00 H new ATOM 0 HA LYS A 97 5.357 12.484 3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.160 14.746 1.735 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.697 14.799 3.402 1.00 0.00 H new ATOM 0 HG2 LYS A 97 6.695 14.109 1.261 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.191 15.778 1.441 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.970 15.883 3.708 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.133 14.142 3.816 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.068 14.100 2.462 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.721 15.660 1.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.521 15.812 3.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.191 16.719 3.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.528 15.209 4.572 1.00 0.00 H new ATOM 1509 N GLU A 98 2.992 11.203 2.452 1.00 0.00 N ATOM 1510 CA GLU A 98 1.628 10.713 2.614 1.00 0.00 C ATOM 1511 C GLU A 98 1.590 9.512 3.554 1.00 0.00 C ATOM 1512 O GLU A 98 1.976 8.404 3.181 1.00 0.00 O ATOM 1513 CB GLU A 98 1.035 10.332 1.256 1.00 0.00 C ATOM 1514 CG GLU A 98 -0.472 10.508 1.179 1.00 0.00 C ATOM 1515 CD GLU A 98 -1.124 9.536 0.215 1.00 0.00 C ATOM 1516 OE1 GLU A 98 -0.627 8.398 0.091 1.00 0.00 O ATOM 1517 OE2 GLU A 98 -2.134 9.915 -0.416 1.00 0.00 O ATOM 0 H GLU A 98 3.654 10.504 2.115 1.00 0.00 H new ATOM 0 HA GLU A 98 1.031 11.513 3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.503 10.939 0.481 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.282 9.293 1.040 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.901 10.372 2.172 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.700 11.528 0.870 1.00 0.00 H new ATOM 1524 N THR A 99 1.121 9.740 4.777 1.00 0.00 N ATOM 1525 CA THR A 99 1.033 8.678 5.772 1.00 0.00 C ATOM 1526 C THR A 99 -0.079 7.694 5.428 1.00 0.00 C ATOM 1527 O THR A 99 -1.250 8.065 5.357 1.00 0.00 O ATOM 1528 CB THR A 99 0.781 9.248 7.181 1.00 0.00 C ATOM 1529 OG1 THR A 99 1.648 10.362 7.421 1.00 0.00 O ATOM 1530 CG2 THR A 99 1.008 8.184 8.244 1.00 0.00 C ATOM 0 H THR A 99 0.796 10.651 5.102 1.00 0.00 H new ATOM 0 HA THR A 99 1.991 8.157 5.765 1.00 0.00 H new ATOM 0 HB THR A 99 -0.257 9.577 7.235 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.480 10.720 8.318 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.824 8.610 9.230 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.326 7.350 8.076 1.00 0.00 H new ATOM 0 HG23 THR A 99 2.037 7.828 8.189 1.00 0.00 H new ATOM 1538 N MET A 100 0.295 6.436 5.217 1.00 0.00 N ATOM 1539 CA MET A 100 -0.672 5.397 4.882 1.00 0.00 C ATOM 1540 C MET A 100 -1.056 4.593 6.120 1.00 0.00 C ATOM 1541 O MET A 100 -0.463 4.756 7.187 1.00 0.00 O ATOM 1542 CB MET A 100 -0.102 4.466 3.811 1.00 0.00 C ATOM 1543 CG MET A 100 0.444 5.198 2.597 1.00 0.00 C ATOM 1544 SD MET A 100 0.301 4.233 1.080 1.00 0.00 S ATOM 1545 CE MET A 100 -1.244 4.859 0.425 1.00 0.00 C ATOM 0 H MET A 100 1.260 6.112 5.272 1.00 0.00 H new ATOM 0 HA MET A 100 -1.568 5.881 4.492 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.694 3.865 4.250 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.882 3.776 3.489 1.00 0.00 H new ATOM 0 HG2 MET A 100 -0.090 6.140 2.475 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.492 5.446 2.768 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.349 4.552 -0.616 1.00 0.00 H new ATOM 0 HE2 MET A 100 -2.074 4.459 1.007 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.250 5.947 0.485 1.00 0.00 H new ATOM 1555 N TYR A 101 -2.051 3.725 5.972 1.00 0.00 N ATOM 1556 CA TYR A 101 -2.515 2.898 7.079 1.00 0.00 C ATOM 1557 C TYR A 101 -3.002 1.541 6.578 1.00 0.00 C ATOM 1558 O TYR A 101 -3.183 1.338 5.377 1.00 0.00 O ATOM 1559 CB TYR A 101 -3.638 3.607 7.837 1.00 0.00 C ATOM 1560 CG TYR A 101 -3.364 5.071 8.095 1.00 0.00 C ATOM 1561 CD1 TYR A 101 -3.400 5.998 7.061 1.00 0.00 C ATOM 1562 CD2 TYR A 101 -3.066 5.528 9.373 1.00 0.00 C ATOM 1563 CE1 TYR A 101 -3.149 7.337 7.292 1.00 0.00 C ATOM 1564 CE2 TYR A 101 -2.816 6.865 9.614 1.00 0.00 C ATOM 1565 CZ TYR A 101 -2.858 7.765 8.570 1.00 0.00 C ATOM 1566 OH TYR A 101 -2.607 9.098 8.805 1.00 0.00 O ATOM 0 H TYR A 101 -2.552 3.576 5.096 1.00 0.00 H new ATOM 0 HA TYR A 101 -1.675 2.736 7.755 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.564 3.514 7.269 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.797 3.102 8.790 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.628 5.666 6.059 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -3.029 4.825 10.192 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -3.181 8.044 6.476 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.589 7.203 10.614 1.00 0.00 H new ATOM 0 HH TYR A 101 -2.420 9.233 9.758 1.00 0.00 H new ATOM 1576 N PHE A 102 -3.213 0.616 7.508 1.00 0.00 N ATOM 1577 CA PHE A 102 -3.679 -0.722 7.163 1.00 0.00 C ATOM 1578 C PHE A 102 -4.817 -1.156 8.083 1.00 0.00 C ATOM 1579 O PHE A 102 -5.177 -0.445 9.020 1.00 0.00 O ATOM 1580 CB PHE A 102 -2.527 -1.725 7.250 1.00 0.00 C ATOM 1581 CG PHE A 102 -1.734 -1.618 8.521 1.00 0.00 C ATOM 1582 CD1 PHE A 102 -2.353 -1.761 9.753 1.00 0.00 C ATOM 1583 CD2 PHE A 102 -0.371 -1.375 8.485 1.00 0.00 C ATOM 1584 CE1 PHE A 102 -1.626 -1.662 10.924 1.00 0.00 C ATOM 1585 CE2 PHE A 102 0.362 -1.275 9.653 1.00 0.00 C ATOM 1586 CZ PHE A 102 -0.267 -1.420 10.874 1.00 0.00 C ATOM 0 H PHE A 102 -3.069 0.768 8.506 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.053 -0.696 6.139 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -2.928 -2.735 7.165 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.860 -1.575 6.401 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.415 -1.952 9.798 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.126 -1.262 7.533 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.120 -1.774 11.878 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.424 -1.084 9.611 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.303 -1.344 11.788 1.00 0.00 H new ATOM 1596 N ALA A 103 -5.378 -2.329 7.807 1.00 0.00 N ATOM 1597 CA ALA A 103 -6.473 -2.859 8.610 1.00 0.00 C ATOM 1598 C ALA A 103 -6.146 -4.254 9.132 1.00 0.00 C ATOM 1599 O ALA A 103 -6.910 -4.833 9.904 1.00 0.00 O ATOM 1600 CB ALA A 103 -7.759 -2.886 7.797 1.00 0.00 C ATOM 0 H ALA A 103 -5.092 -2.930 7.034 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.612 -2.202 9.468 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.568 -3.284 8.409 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.009 -1.874 7.478 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.622 -3.519 6.920 1.00 0.00 H new