USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 580 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 34 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 74 HIS : no HD1:sc= -3.03! C(o=-3!,f=-6.3!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00339 USER MOD Single : A 17 MET CE :methyl -168:sc= -0.644 (180deg=-1.33) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl -105:sc= -0.33 (180deg=-3.28!) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.182 USER MOD Single : A 52 ASN : amide:sc= -4.88 K(o=-4.9,f=-11!) USER MOD Single : A 55 MET CE :methyl 149:sc= -2.67! (180deg=-3.86!) USER MOD Single : A 60 GLN : amide:sc= -4.15! C(o=-4.2!,f=-3.7!) USER MOD Single : A 65 ASN : amide:sc= -2.77! C(o=-2.8!,f=-6.6!) USER MOD Single : A 72 MET CE :methyl -148:sc= -1.8 (180deg=-5.59!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 153:sc= 0.836 (180deg=-0.477) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 148 N PHE A 13 9.489 -3.927 -3.547 1.00 0.00 N ATOM 149 CA PHE A 13 9.905 -3.206 -2.350 1.00 0.00 C ATOM 150 C PHE A 13 8.694 -2.685 -1.581 1.00 0.00 C ATOM 151 O PHE A 13 7.667 -2.348 -2.171 1.00 0.00 O ATOM 152 CB PHE A 13 10.825 -2.042 -2.723 1.00 0.00 C ATOM 153 CG PHE A 13 10.112 -0.907 -3.400 1.00 0.00 C ATOM 154 CD1 PHE A 13 9.303 -0.048 -2.674 1.00 0.00 C ATOM 155 CD2 PHE A 13 10.251 -0.698 -4.763 1.00 0.00 C ATOM 156 CE1 PHE A 13 8.645 0.997 -3.295 1.00 0.00 C ATOM 157 CE2 PHE A 13 9.596 0.345 -5.389 1.00 0.00 C ATOM 158 CZ PHE A 13 8.793 1.194 -4.654 1.00 0.00 C ATOM 0 HA PHE A 13 10.450 -3.900 -1.710 1.00 0.00 H new ATOM 0 HB2 PHE A 13 11.310 -1.669 -1.821 1.00 0.00 H new ATOM 0 HB3 PHE A 13 11.613 -2.409 -3.380 1.00 0.00 H new ATOM 0 HD1 PHE A 13 9.185 -0.197 -1.611 1.00 0.00 H new ATOM 0 HD2 PHE A 13 10.879 -1.358 -5.343 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.016 1.659 -2.718 1.00 0.00 H new ATOM 0 HE2 PHE A 13 9.712 0.496 -6.452 1.00 0.00 H new ATOM 0 HZ PHE A 13 8.281 2.011 -5.141 1.00 0.00 H new ATOM 168 N THR A 14 8.822 -2.622 -0.259 1.00 0.00 N ATOM 169 CA THR A 14 7.739 -2.144 0.592 1.00 0.00 C ATOM 170 C THR A 14 7.853 -0.644 0.836 1.00 0.00 C ATOM 171 O THR A 14 8.941 -0.073 0.760 1.00 0.00 O ATOM 172 CB THR A 14 7.727 -2.874 1.948 1.00 0.00 C ATOM 173 OG1 THR A 14 9.040 -2.868 2.520 1.00 0.00 O ATOM 174 CG2 THR A 14 7.246 -4.309 1.787 1.00 0.00 C ATOM 0 H THR A 14 9.665 -2.896 0.245 1.00 0.00 H new ATOM 0 HA THR A 14 6.807 -2.354 0.066 1.00 0.00 H new ATOM 0 HB THR A 14 7.039 -2.349 2.611 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.023 -3.333 3.383 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.246 -4.804 2.758 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.235 -4.310 1.379 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.912 -4.842 1.108 1.00 0.00 H new ATOM 182 N VAL A 15 6.723 -0.010 1.131 1.00 0.00 N ATOM 183 CA VAL A 15 6.696 1.425 1.389 1.00 0.00 C ATOM 184 C VAL A 15 6.379 1.715 2.852 1.00 0.00 C ATOM 185 O VAL A 15 5.587 1.010 3.478 1.00 0.00 O ATOM 186 CB VAL A 15 5.658 2.136 0.500 1.00 0.00 C ATOM 187 CG1 VAL A 15 5.601 3.620 0.828 1.00 0.00 C ATOM 188 CG2 VAL A 15 5.980 1.918 -0.971 1.00 0.00 C ATOM 0 H VAL A 15 5.814 -0.467 1.197 1.00 0.00 H new ATOM 0 HA VAL A 15 7.689 1.807 1.153 1.00 0.00 H new ATOM 0 HB VAL A 15 4.677 1.707 0.701 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.862 4.106 0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.320 3.751 1.873 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.580 4.068 0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.237 2.427 -1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.969 2.320 -1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.965 0.851 -1.193 1.00 0.00 H new ATOM 198 N ASP A 16 7.003 2.756 3.391 1.00 0.00 N ATOM 199 CA ASP A 16 6.787 3.142 4.781 1.00 0.00 C ATOM 200 C ASP A 16 6.599 4.650 4.904 1.00 0.00 C ATOM 201 O ASP A 16 7.483 5.427 4.542 1.00 0.00 O ATOM 202 CB ASP A 16 7.963 2.689 5.647 1.00 0.00 C ATOM 203 CG ASP A 16 7.744 2.980 7.119 1.00 0.00 C ATOM 204 OD1 ASP A 16 7.109 2.148 7.799 1.00 0.00 O ATOM 205 OD2 ASP A 16 8.209 4.039 7.590 1.00 0.00 O ATOM 0 H ASP A 16 7.663 3.348 2.887 1.00 0.00 H new ATOM 0 HA ASP A 16 5.878 2.652 5.131 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.120 1.619 5.511 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.871 3.190 5.312 1.00 0.00 H new ATOM 210 N MET A 17 5.443 5.058 5.416 1.00 0.00 N ATOM 211 CA MET A 17 5.141 6.475 5.587 1.00 0.00 C ATOM 212 C MET A 17 4.119 6.682 6.700 1.00 0.00 C ATOM 213 O MET A 17 3.583 5.720 7.249 1.00 0.00 O ATOM 214 CB MET A 17 4.614 7.067 4.278 1.00 0.00 C ATOM 215 CG MET A 17 5.097 6.330 3.040 1.00 0.00 C ATOM 216 SD MET A 17 4.506 7.080 1.510 1.00 0.00 S ATOM 217 CE MET A 17 2.751 7.203 1.850 1.00 0.00 C ATOM 0 H MET A 17 4.700 4.428 5.720 1.00 0.00 H new ATOM 0 HA MET A 17 6.062 6.987 5.864 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.524 7.055 4.296 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.920 8.111 4.212 1.00 0.00 H new ATOM 0 HG2 MET A 17 6.187 6.313 3.034 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.762 5.294 3.085 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.218 7.446 0.931 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.388 6.252 2.239 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.577 7.986 2.588 1.00 0.00 H new ATOM 227 N GLU A 18 3.854 7.943 7.028 1.00 0.00 N ATOM 228 CA GLU A 18 2.897 8.275 8.076 1.00 0.00 C ATOM 229 C GLU A 18 1.739 9.096 7.516 1.00 0.00 C ATOM 230 O GLU A 18 1.747 9.487 6.349 1.00 0.00 O ATOM 231 CB GLU A 18 3.587 9.048 9.202 1.00 0.00 C ATOM 232 CG GLU A 18 4.088 8.163 10.331 1.00 0.00 C ATOM 233 CD GLU A 18 5.307 8.737 11.026 1.00 0.00 C ATOM 234 OE1 GLU A 18 5.237 9.897 11.483 1.00 0.00 O ATOM 235 OE2 GLU A 18 6.330 8.027 11.113 1.00 0.00 O ATOM 0 H GLU A 18 4.289 8.751 6.583 1.00 0.00 H new ATOM 0 HA GLU A 18 2.498 7.343 8.476 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.428 9.604 8.787 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.890 9.781 9.608 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.290 8.025 11.061 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.331 7.177 9.934 1.00 0.00 H new ATOM 242 N LYS A 19 0.743 9.352 8.357 1.00 0.00 N ATOM 243 CA LYS A 19 -0.423 10.127 7.949 1.00 0.00 C ATOM 244 C LYS A 19 -0.236 11.605 8.274 1.00 0.00 C ATOM 245 O LYS A 19 0.349 11.956 9.298 1.00 0.00 O ATOM 246 CB LYS A 19 -1.681 9.597 8.641 1.00 0.00 C ATOM 247 CG LYS A 19 -2.943 9.747 7.809 1.00 0.00 C ATOM 248 CD LYS A 19 -3.958 8.665 8.135 1.00 0.00 C ATOM 249 CE LYS A 19 -4.850 9.069 9.299 1.00 0.00 C ATOM 250 NZ LYS A 19 -6.037 8.178 9.424 1.00 0.00 N ATOM 0 H LYS A 19 0.720 9.034 9.326 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.537 10.022 6.870 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.537 8.543 8.880 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.814 10.123 9.586 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.384 10.727 7.989 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.689 9.702 6.750 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.572 8.465 7.257 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.438 7.738 8.378 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.275 9.040 10.224 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.181 10.098 9.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.619 8.486 10.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.600 8.225 8.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.722 7.199 9.580 1.00 0.00 H new ATOM 330 N GLY A 25 -1.255 12.022 2.454 1.00 0.00 N ATOM 331 CA GLY A 25 -1.033 12.857 1.288 1.00 0.00 C ATOM 332 C GLY A 25 -0.829 12.045 0.025 1.00 0.00 C ATOM 333 O GLY A 25 0.043 12.355 -0.787 1.00 0.00 O ATOM 0 HA2 GLY A 25 -1.885 13.523 1.154 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.159 13.487 1.457 1.00 0.00 H new ATOM 337 N PHE A 26 -1.635 11.001 -0.143 1.00 0.00 N ATOM 338 CA PHE A 26 -1.536 10.140 -1.316 1.00 0.00 C ATOM 339 C PHE A 26 -2.878 9.481 -1.621 1.00 0.00 C ATOM 340 O PHE A 26 -3.571 9.012 -0.717 1.00 0.00 O ATOM 341 CB PHE A 26 -0.466 9.069 -1.100 1.00 0.00 C ATOM 342 CG PHE A 26 -0.996 7.809 -0.477 1.00 0.00 C ATOM 343 CD1 PHE A 26 -1.905 7.014 -1.156 1.00 0.00 C ATOM 344 CD2 PHE A 26 -0.584 7.420 0.787 1.00 0.00 C ATOM 345 CE1 PHE A 26 -2.395 5.855 -0.584 1.00 0.00 C ATOM 346 CE2 PHE A 26 -1.070 6.262 1.364 1.00 0.00 C ATOM 347 CZ PHE A 26 -1.976 5.478 0.677 1.00 0.00 C ATOM 0 H PHE A 26 -2.363 10.731 0.518 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.253 10.759 -2.168 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.008 8.826 -2.059 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.321 9.476 -0.465 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.234 7.303 -2.143 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.125 8.029 1.328 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.105 5.245 -1.123 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.742 5.971 2.351 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.356 4.572 1.125 1.00 0.00 H new ATOM 357 N SER A 27 -3.239 9.450 -2.900 1.00 0.00 N ATOM 358 CA SER A 27 -4.499 8.852 -3.324 1.00 0.00 C ATOM 359 C SER A 27 -4.254 7.577 -4.125 1.00 0.00 C ATOM 360 O SER A 27 -3.156 7.354 -4.637 1.00 0.00 O ATOM 361 CB SER A 27 -5.303 9.848 -4.163 1.00 0.00 C ATOM 362 OG SER A 27 -6.210 10.578 -3.356 1.00 0.00 O ATOM 0 H SER A 27 -2.677 9.832 -3.660 1.00 0.00 H new ATOM 0 HA SER A 27 -5.069 8.595 -2.431 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.624 10.536 -4.666 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.851 9.315 -4.940 1.00 0.00 H new ATOM 0 HG SER A 27 -6.710 11.209 -3.915 1.00 0.00 H new ATOM 368 N ILE A 28 -5.283 6.743 -4.228 1.00 0.00 N ATOM 369 CA ILE A 28 -5.180 5.491 -4.967 1.00 0.00 C ATOM 370 C ILE A 28 -6.260 5.394 -6.039 1.00 0.00 C ATOM 371 O ILE A 28 -7.182 6.210 -6.081 1.00 0.00 O ATOM 372 CB ILE A 28 -5.293 4.274 -4.030 1.00 0.00 C ATOM 373 CG1 ILE A 28 -6.043 4.654 -2.752 1.00 0.00 C ATOM 374 CG2 ILE A 28 -3.911 3.731 -3.697 1.00 0.00 C ATOM 375 CD1 ILE A 28 -6.545 3.461 -1.968 1.00 0.00 C ATOM 0 H ILE A 28 -6.198 6.912 -3.809 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.199 5.485 -5.442 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.856 3.493 -4.541 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.384 5.245 -2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.889 5.290 -3.012 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.008 2.871 -3.034 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.409 3.426 -4.615 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.325 4.506 -3.203 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.067 3.806 -1.075 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.229 2.881 -2.587 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.701 2.836 -1.676 1.00 0.00 H new ATOM 387 N ARG A 29 -6.141 4.392 -6.903 1.00 0.00 N ATOM 388 CA ARG A 29 -7.108 4.188 -7.975 1.00 0.00 C ATOM 389 C ARG A 29 -7.197 2.712 -8.353 1.00 0.00 C ATOM 390 O ARG A 29 -6.388 1.898 -7.912 1.00 0.00 O ATOM 391 CB ARG A 29 -6.723 5.017 -9.201 1.00 0.00 C ATOM 392 CG ARG A 29 -5.558 4.437 -9.987 1.00 0.00 C ATOM 393 CD ARG A 29 -5.636 4.814 -11.458 1.00 0.00 C ATOM 394 NE ARG A 29 -5.153 6.171 -11.702 1.00 0.00 N ATOM 395 CZ ARG A 29 -3.867 6.484 -11.816 1.00 0.00 C ATOM 396 NH1 ARG A 29 -2.940 5.542 -11.710 1.00 0.00 N ATOM 397 NH2 ARG A 29 -3.506 7.741 -12.038 1.00 0.00 N ATOM 0 H ARG A 29 -5.384 3.708 -6.882 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.085 4.513 -7.617 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.588 5.101 -9.859 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.467 6.027 -8.881 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.619 4.798 -9.567 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.555 3.352 -9.888 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.047 4.109 -12.045 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.668 4.730 -11.800 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.841 6.919 -11.790 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.214 4.574 -11.541 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.953 5.785 -11.798 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.216 8.468 -12.121 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.518 7.980 -12.125 1.00 0.00 H new ATOM 411 N GLY A 30 -8.189 2.376 -9.172 1.00 0.00 N ATOM 412 CA GLY A 30 -8.367 0.999 -9.595 1.00 0.00 C ATOM 413 C GLY A 30 -8.897 0.115 -8.483 1.00 0.00 C ATOM 414 O GLY A 30 -9.259 0.601 -7.413 1.00 0.00 O ATOM 0 H GLY A 30 -8.872 3.032 -9.550 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.056 0.968 -10.439 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.414 0.604 -9.946 1.00 0.00 H new ATOM 418 N GLY A 31 -8.943 -1.190 -8.737 1.00 0.00 N ATOM 419 CA GLY A 31 -9.436 -2.122 -7.741 1.00 0.00 C ATOM 420 C GLY A 31 -10.474 -3.074 -8.300 1.00 0.00 C ATOM 421 O GLY A 31 -10.926 -2.914 -9.434 1.00 0.00 O ATOM 0 H GLY A 31 -8.648 -1.617 -9.615 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.600 -2.696 -7.340 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.869 -1.565 -6.910 1.00 0.00 H new ATOM 425 N ARG A 32 -10.853 -4.069 -7.504 1.00 0.00 N ATOM 426 CA ARG A 32 -11.843 -5.052 -7.928 1.00 0.00 C ATOM 427 C ARG A 32 -13.073 -4.366 -8.517 1.00 0.00 C ATOM 428 O ARG A 32 -13.763 -4.931 -9.364 1.00 0.00 O ATOM 429 CB ARG A 32 -12.254 -5.935 -6.748 1.00 0.00 C ATOM 430 CG ARG A 32 -11.403 -7.185 -6.599 1.00 0.00 C ATOM 431 CD ARG A 32 -11.712 -8.202 -7.687 1.00 0.00 C ATOM 432 NE ARG A 32 -10.574 -9.076 -7.957 1.00 0.00 N ATOM 433 CZ ARG A 32 -10.465 -9.824 -9.050 1.00 0.00 C ATOM 434 NH1 ARG A 32 -11.421 -9.804 -9.969 1.00 0.00 N ATOM 435 NH2 ARG A 32 -9.399 -10.595 -9.225 1.00 0.00 N ATOM 0 H ARG A 32 -10.490 -4.216 -6.562 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.392 -5.676 -8.700 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.192 -5.352 -5.829 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.297 -6.228 -6.870 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.348 -6.915 -6.641 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.579 -7.632 -5.621 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.569 -8.805 -7.387 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.994 -7.680 -8.602 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.822 -9.115 -7.269 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.242 -9.214 -9.838 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.335 -10.379 -10.807 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.662 -10.614 -8.520 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.317 -11.169 -10.064 1.00 0.00 H new ATOM 449 N GLU A 33 -13.339 -3.146 -8.060 1.00 0.00 N ATOM 450 CA GLU A 33 -14.486 -2.385 -8.541 1.00 0.00 C ATOM 451 C GLU A 33 -14.372 -2.116 -10.038 1.00 0.00 C ATOM 452 O GLU A 33 -15.364 -2.159 -10.766 1.00 0.00 O ATOM 453 CB GLU A 33 -14.603 -1.062 -7.781 1.00 0.00 C ATOM 454 CG GLU A 33 -16.028 -0.545 -7.674 1.00 0.00 C ATOM 455 CD GLU A 33 -16.089 0.936 -7.356 1.00 0.00 C ATOM 456 OE1 GLU A 33 -16.030 1.288 -6.159 1.00 0.00 O ATOM 457 OE2 GLU A 33 -16.196 1.743 -8.302 1.00 0.00 O ATOM 0 H GLU A 33 -12.777 -2.664 -7.358 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.383 -2.978 -8.364 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -14.196 -1.192 -6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.990 -0.311 -8.279 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.550 -0.733 -8.612 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -16.555 -1.101 -6.899 1.00 0.00 H new ATOM 464 N TYR A 34 -13.155 -1.838 -10.492 1.00 0.00 N ATOM 465 CA TYR A 34 -12.910 -1.559 -11.902 1.00 0.00 C ATOM 466 C TYR A 34 -12.165 -2.714 -12.565 1.00 0.00 C ATOM 467 O TYR A 34 -11.654 -2.582 -13.677 1.00 0.00 O ATOM 468 CB TYR A 34 -12.108 -0.265 -12.055 1.00 0.00 C ATOM 469 CG TYR A 34 -12.520 0.822 -11.089 1.00 0.00 C ATOM 470 CD1 TYR A 34 -13.654 1.591 -11.321 1.00 0.00 C ATOM 471 CD2 TYR A 34 -11.777 1.080 -9.944 1.00 0.00 C ATOM 472 CE1 TYR A 34 -14.035 2.586 -10.441 1.00 0.00 C ATOM 473 CE2 TYR A 34 -12.151 2.071 -9.057 1.00 0.00 C ATOM 474 CZ TYR A 34 -13.280 2.822 -9.311 1.00 0.00 C ATOM 475 OH TYR A 34 -13.656 3.811 -8.431 1.00 0.00 O ATOM 0 H TYR A 34 -12.323 -1.800 -9.904 1.00 0.00 H new ATOM 0 HA TYR A 34 -13.874 -1.442 -12.396 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.050 -0.484 -11.912 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.222 0.104 -13.074 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.248 1.408 -12.204 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.891 0.496 -9.744 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -14.919 3.175 -10.637 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.563 2.257 -8.170 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.019 3.847 -7.688 1.00 0.00 H new ATOM 485 N LYS A 35 -12.108 -3.846 -11.873 1.00 0.00 N ATOM 486 CA LYS A 35 -11.429 -5.027 -12.393 1.00 0.00 C ATOM 487 C LYS A 35 -9.990 -4.702 -12.778 1.00 0.00 C ATOM 488 O LYS A 35 -9.538 -5.041 -13.872 1.00 0.00 O ATOM 489 CB LYS A 35 -12.180 -5.581 -13.606 1.00 0.00 C ATOM 490 CG LYS A 35 -13.610 -5.993 -13.300 1.00 0.00 C ATOM 491 CD LYS A 35 -13.680 -7.420 -12.782 1.00 0.00 C ATOM 492 CE LYS A 35 -13.656 -8.428 -13.921 1.00 0.00 C ATOM 493 NZ LYS A 35 -14.184 -9.754 -13.499 1.00 0.00 N ATOM 0 H LYS A 35 -12.524 -3.971 -10.950 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.415 -5.782 -11.607 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.189 -4.827 -14.393 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.638 -6.443 -13.996 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -14.035 -5.315 -12.560 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -14.217 -5.902 -14.201 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.841 -7.607 -12.112 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.590 -7.552 -12.197 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -14.249 -8.049 -14.754 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.634 -8.542 -14.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.151 -10.413 -14.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.603 -10.127 -12.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -15.167 -9.650 -13.177 1.00 0.00 H new ATOM 507 N MET A 36 -9.274 -4.043 -11.873 1.00 0.00 N ATOM 508 CA MET A 36 -7.884 -3.674 -12.118 1.00 0.00 C ATOM 509 C MET A 36 -7.116 -3.546 -10.806 1.00 0.00 C ATOM 510 O MET A 36 -7.712 -3.474 -9.732 1.00 0.00 O ATOM 511 CB MET A 36 -7.813 -2.358 -12.895 1.00 0.00 C ATOM 512 CG MET A 36 -8.476 -1.193 -12.178 1.00 0.00 C ATOM 513 SD MET A 36 -8.967 0.126 -13.304 1.00 0.00 S ATOM 514 CE MET A 36 -7.799 1.408 -12.855 1.00 0.00 C ATOM 0 H MET A 36 -9.633 -3.753 -10.963 1.00 0.00 H new ATOM 0 HA MET A 36 -7.424 -4.463 -12.712 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.768 -2.112 -13.082 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.287 -2.493 -13.867 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.354 -1.553 -11.642 1.00 0.00 H new ATOM 0 HG3 MET A 36 -7.789 -0.792 -11.432 1.00 0.00 H new ATOM 0 HE1 MET A 36 -8.306 2.172 -12.266 1.00 0.00 H new ATOM 0 HE2 MET A 36 -6.991 0.974 -12.266 1.00 0.00 H new ATOM 0 HE3 MET A 36 -7.388 1.859 -13.758 1.00 0.00 H new ATOM 524 N ASP A 37 -5.791 -3.520 -10.902 1.00 0.00 N ATOM 525 CA ASP A 37 -4.942 -3.400 -9.723 1.00 0.00 C ATOM 526 C ASP A 37 -5.052 -2.006 -9.113 1.00 0.00 C ATOM 527 O ASP A 37 -5.659 -1.107 -9.698 1.00 0.00 O ATOM 528 CB ASP A 37 -3.486 -3.698 -10.085 1.00 0.00 C ATOM 529 CG ASP A 37 -3.324 -5.037 -10.776 1.00 0.00 C ATOM 530 OD1 ASP A 37 -3.681 -5.136 -11.968 1.00 0.00 O ATOM 531 OD2 ASP A 37 -2.840 -5.987 -10.125 1.00 0.00 O ATOM 0 H ASP A 37 -5.282 -3.580 -11.784 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.282 -4.127 -8.986 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.107 -2.909 -10.735 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.879 -3.684 -9.180 1.00 0.00 H new ATOM 536 N LEU A 38 -4.463 -1.833 -7.935 1.00 0.00 N ATOM 537 CA LEU A 38 -4.496 -0.548 -7.245 1.00 0.00 C ATOM 538 C LEU A 38 -3.226 0.250 -7.519 1.00 0.00 C ATOM 539 O LEU A 38 -2.118 -0.214 -7.249 1.00 0.00 O ATOM 540 CB LEU A 38 -4.663 -0.760 -5.739 1.00 0.00 C ATOM 541 CG LEU A 38 -5.997 -1.358 -5.289 1.00 0.00 C ATOM 542 CD1 LEU A 38 -5.802 -2.235 -4.062 1.00 0.00 C ATOM 543 CD2 LEU A 38 -7.006 -0.255 -5.004 1.00 0.00 C ATOM 0 H LEU A 38 -3.957 -2.566 -7.438 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.347 0.018 -7.623 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.861 -1.411 -5.393 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.532 0.200 -5.240 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.386 -1.979 -6.096 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.762 -2.652 -3.756 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.114 -3.046 -4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.391 -1.637 -3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.949 -0.698 -4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.624 0.392 -4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.168 0.332 -5.908 1.00 0.00 H new ATOM 555 N TYR A 39 -3.394 1.454 -8.056 1.00 0.00 N ATOM 556 CA TYR A 39 -2.261 2.317 -8.367 1.00 0.00 C ATOM 557 C TYR A 39 -2.411 3.677 -7.693 1.00 0.00 C ATOM 558 O TYR A 39 -3.485 4.024 -7.201 1.00 0.00 O ATOM 559 CB TYR A 39 -2.131 2.497 -9.881 1.00 0.00 C ATOM 560 CG TYR A 39 -2.533 1.273 -10.673 1.00 0.00 C ATOM 561 CD1 TYR A 39 -3.871 0.958 -10.870 1.00 0.00 C ATOM 562 CD2 TYR A 39 -1.574 0.431 -11.223 1.00 0.00 C ATOM 563 CE1 TYR A 39 -4.243 -0.160 -11.592 1.00 0.00 C ATOM 564 CE2 TYR A 39 -1.936 -0.687 -11.947 1.00 0.00 C ATOM 565 CZ TYR A 39 -3.272 -0.979 -12.129 1.00 0.00 C ATOM 566 OH TYR A 39 -3.638 -2.093 -12.850 1.00 0.00 O ATOM 0 H TYR A 39 -4.304 1.854 -8.285 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.358 1.840 -7.985 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.748 3.340 -10.193 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.099 2.752 -10.121 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.634 1.598 -10.452 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.527 0.655 -11.081 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.288 -0.391 -11.735 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.177 -1.330 -12.369 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.834 -2.561 -13.159 1.00 0.00 H new ATOM 576 N VAL A 40 -1.326 4.445 -7.676 1.00 0.00 N ATOM 577 CA VAL A 40 -1.336 5.768 -7.064 1.00 0.00 C ATOM 578 C VAL A 40 -2.037 6.783 -7.961 1.00 0.00 C ATOM 579 O VAL A 40 -1.532 7.140 -9.026 1.00 0.00 O ATOM 580 CB VAL A 40 0.094 6.261 -6.771 1.00 0.00 C ATOM 581 CG1 VAL A 40 0.062 7.641 -6.130 1.00 0.00 C ATOM 582 CG2 VAL A 40 0.827 5.268 -5.882 1.00 0.00 C ATOM 0 H VAL A 40 -0.429 4.173 -8.079 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.882 5.679 -6.125 1.00 0.00 H new ATOM 0 HB VAL A 40 0.635 6.337 -7.714 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.081 7.973 -5.930 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.423 8.345 -6.806 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.495 7.595 -5.194 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.835 5.632 -5.685 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.290 5.158 -4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.881 4.302 -6.384 1.00 0.00 H new ATOM 592 N LEU A 41 -3.204 7.243 -7.523 1.00 0.00 N ATOM 593 CA LEU A 41 -3.976 8.218 -8.285 1.00 0.00 C ATOM 594 C LEU A 41 -3.262 9.565 -8.328 1.00 0.00 C ATOM 595 O LEU A 41 -2.879 10.043 -9.396 1.00 0.00 O ATOM 596 CB LEU A 41 -5.368 8.385 -7.675 1.00 0.00 C ATOM 597 CG LEU A 41 -6.388 9.142 -8.526 1.00 0.00 C ATOM 598 CD1 LEU A 41 -5.932 10.574 -8.759 1.00 0.00 C ATOM 599 CD2 LEU A 41 -6.610 8.429 -9.852 1.00 0.00 C ATOM 0 H LEU A 41 -3.636 6.957 -6.645 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.075 7.848 -9.305 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.769 7.395 -7.459 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.265 8.903 -6.721 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.335 9.167 -7.986 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.671 11.097 -9.367 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.825 11.082 -7.801 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.973 10.571 -9.277 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.339 8.982 -10.445 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.668 8.372 -10.397 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.983 7.422 -9.666 1.00 0.00 H new ATOM 611 N ARG A 42 -3.084 10.172 -7.159 1.00 0.00 N ATOM 612 CA ARG A 42 -2.415 11.464 -7.063 1.00 0.00 C ATOM 613 C ARG A 42 -1.622 11.570 -5.763 1.00 0.00 C ATOM 614 O ARG A 42 -2.006 11.000 -4.741 1.00 0.00 O ATOM 615 CB ARG A 42 -3.437 12.599 -7.142 1.00 0.00 C ATOM 616 CG ARG A 42 -3.081 13.801 -6.283 1.00 0.00 C ATOM 617 CD ARG A 42 -3.621 13.654 -4.869 1.00 0.00 C ATOM 618 NE ARG A 42 -5.054 13.929 -4.798 1.00 0.00 N ATOM 619 CZ ARG A 42 -5.581 15.133 -4.990 1.00 0.00 C ATOM 620 NH1 ARG A 42 -4.798 16.168 -5.263 1.00 0.00 N ATOM 621 NH2 ARG A 42 -6.894 15.305 -4.910 1.00 0.00 N ATOM 0 H ARG A 42 -3.394 9.790 -6.265 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.722 11.549 -7.900 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.531 12.920 -8.179 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.412 12.220 -6.836 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.998 13.918 -6.250 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.486 14.706 -6.736 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.428 12.643 -4.511 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.088 14.335 -4.205 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.684 13.154 -4.590 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.788 16.041 -5.326 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.206 17.091 -5.410 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.500 14.512 -4.701 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.297 16.230 -5.058 1.00 0.00 H new ATOM 635 N LEU A 43 -0.514 12.301 -5.811 1.00 0.00 N ATOM 636 CA LEU A 43 0.335 12.481 -4.638 1.00 0.00 C ATOM 637 C LEU A 43 0.240 13.910 -4.112 1.00 0.00 C ATOM 638 O LEU A 43 0.053 14.853 -4.879 1.00 0.00 O ATOM 639 CB LEU A 43 1.788 12.146 -4.979 1.00 0.00 C ATOM 640 CG LEU A 43 2.237 10.717 -4.674 1.00 0.00 C ATOM 641 CD1 LEU A 43 3.714 10.543 -4.989 1.00 0.00 C ATOM 642 CD2 LEU A 43 1.955 10.368 -3.220 1.00 0.00 C ATOM 0 H LEU A 43 -0.182 12.779 -6.649 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.014 11.803 -3.859 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.944 12.335 -6.041 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.436 12.833 -4.434 1.00 0.00 H new ATOM 0 HG LEU A 43 1.669 10.035 -5.307 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.016 9.520 -4.766 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.888 10.750 -6.045 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.299 11.234 -4.383 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.281 9.347 -3.021 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.496 11.055 -2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.886 10.451 -3.027 1.00 0.00 H new ATOM 654 N ALA A 44 0.373 14.061 -2.798 1.00 0.00 N ATOM 655 CA ALA A 44 0.306 15.375 -2.170 1.00 0.00 C ATOM 656 C ALA A 44 1.664 16.069 -2.204 1.00 0.00 C ATOM 657 O ALA A 44 2.630 15.590 -1.611 1.00 0.00 O ATOM 658 CB ALA A 44 -0.190 15.250 -0.737 1.00 0.00 C ATOM 0 H ALA A 44 0.528 13.290 -2.148 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.399 15.985 -2.735 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.235 16.239 -0.280 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.184 14.803 -0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.493 14.619 -0.169 1.00 0.00 H new ATOM 664 N GLU A 45 1.728 17.199 -2.901 1.00 0.00 N ATOM 665 CA GLU A 45 2.969 17.957 -3.012 1.00 0.00 C ATOM 666 C GLU A 45 3.443 18.429 -1.641 1.00 0.00 C ATOM 667 O GLU A 45 4.635 18.652 -1.427 1.00 0.00 O ATOM 668 CB GLU A 45 2.777 19.159 -3.939 1.00 0.00 C ATOM 669 CG GLU A 45 1.783 20.181 -3.413 1.00 0.00 C ATOM 670 CD GLU A 45 1.480 21.272 -4.421 1.00 0.00 C ATOM 671 OE1 GLU A 45 0.996 20.944 -5.524 1.00 0.00 O ATOM 672 OE2 GLU A 45 1.726 22.455 -4.106 1.00 0.00 O ATOM 0 H GLU A 45 0.937 17.609 -3.397 1.00 0.00 H new ATOM 0 HA GLU A 45 3.730 17.300 -3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.740 19.647 -4.092 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.440 18.805 -4.914 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.857 19.675 -3.141 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.178 20.632 -2.503 1.00 0.00 H new ATOM 679 N ASP A 46 2.501 18.581 -0.716 1.00 0.00 N ATOM 680 CA ASP A 46 2.821 19.026 0.635 1.00 0.00 C ATOM 681 C ASP A 46 2.489 17.944 1.657 1.00 0.00 C ATOM 682 O ASP A 46 2.211 18.237 2.819 1.00 0.00 O ATOM 683 CB ASP A 46 2.057 20.309 0.967 1.00 0.00 C ATOM 684 CG ASP A 46 2.654 21.050 2.147 1.00 0.00 C ATOM 685 OD1 ASP A 46 3.790 21.553 2.020 1.00 0.00 O ATOM 686 OD2 ASP A 46 1.984 21.127 3.198 1.00 0.00 O ATOM 0 H ASP A 46 1.510 18.402 -0.877 1.00 0.00 H new ATOM 0 HA ASP A 46 3.891 19.227 0.680 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.054 20.963 0.095 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.017 20.063 1.184 1.00 0.00 H new ATOM 691 N GLY A 47 2.519 16.690 1.215 1.00 0.00 N ATOM 692 CA GLY A 47 2.218 15.583 2.104 1.00 0.00 C ATOM 693 C GLY A 47 3.441 14.746 2.423 1.00 0.00 C ATOM 694 O GLY A 47 4.516 14.935 1.852 1.00 0.00 O ATOM 0 H GLY A 47 2.746 16.421 0.258 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.795 15.970 3.031 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.458 14.950 1.646 1.00 0.00 H new ATOM 698 N PRO A 48 3.286 13.797 3.358 1.00 0.00 N ATOM 699 CA PRO A 48 4.377 12.910 3.774 1.00 0.00 C ATOM 700 C PRO A 48 4.762 11.914 2.686 1.00 0.00 C ATOM 701 O PRO A 48 5.923 11.524 2.570 1.00 0.00 O ATOM 702 CB PRO A 48 3.797 12.179 4.987 1.00 0.00 C ATOM 703 CG PRO A 48 2.322 12.217 4.782 1.00 0.00 C ATOM 704 CD PRO A 48 2.034 13.515 4.080 1.00 0.00 C ATOM 0 HA PRO A 48 5.292 13.463 3.989 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.163 11.154 5.043 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.080 12.670 5.918 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.989 11.368 4.185 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.794 12.163 5.734 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.189 13.424 3.398 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.790 14.308 4.786 1.00 0.00 H new ATOM 712 N ALA A 49 3.779 11.506 1.889 1.00 0.00 N ATOM 713 CA ALA A 49 4.016 10.557 0.809 1.00 0.00 C ATOM 714 C ALA A 49 5.053 11.091 -0.173 1.00 0.00 C ATOM 715 O ALA A 49 6.168 10.574 -0.255 1.00 0.00 O ATOM 716 CB ALA A 49 2.714 10.244 0.086 1.00 0.00 C ATOM 0 H ALA A 49 2.811 11.818 1.972 1.00 0.00 H new ATOM 0 HA ALA A 49 4.407 9.638 1.246 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.906 9.534 -0.718 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.002 9.812 0.789 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.300 11.162 -0.332 1.00 0.00 H new ATOM 722 N ILE A 50 4.679 12.126 -0.918 1.00 0.00 N ATOM 723 CA ILE A 50 5.578 12.729 -1.894 1.00 0.00 C ATOM 724 C ILE A 50 6.974 12.918 -1.312 1.00 0.00 C ATOM 725 O ILE A 50 7.958 13.004 -2.048 1.00 0.00 O ATOM 726 CB ILE A 50 5.048 14.091 -2.381 1.00 0.00 C ATOM 727 CG1 ILE A 50 5.556 14.385 -3.794 1.00 0.00 C ATOM 728 CG2 ILE A 50 5.466 15.195 -1.421 1.00 0.00 C ATOM 729 CD1 ILE A 50 4.690 15.363 -4.556 1.00 0.00 C ATOM 0 H ILE A 50 3.760 12.564 -0.864 1.00 0.00 H new ATOM 0 HA ILE A 50 5.630 12.045 -2.741 1.00 0.00 H new ATOM 0 HB ILE A 50 3.959 14.053 -2.408 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.569 14.781 -3.732 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.613 13.451 -4.353 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.084 16.152 -1.778 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.060 14.989 -0.431 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.554 15.236 -1.365 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.110 15.524 -5.549 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.682 14.960 -4.650 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.653 16.311 -4.019 1.00 0.00 H new ATOM 741 N ARG A 51 7.054 12.980 0.013 1.00 0.00 N ATOM 742 CA ARG A 51 8.331 13.158 0.694 1.00 0.00 C ATOM 743 C ARG A 51 9.025 11.816 0.906 1.00 0.00 C ATOM 744 O ARG A 51 10.252 11.730 0.878 1.00 0.00 O ATOM 745 CB ARG A 51 8.122 13.854 2.040 1.00 0.00 C ATOM 746 CG ARG A 51 7.611 15.280 1.915 1.00 0.00 C ATOM 747 CD ARG A 51 7.038 15.785 3.230 1.00 0.00 C ATOM 748 NE ARG A 51 8.050 15.840 4.282 1.00 0.00 N ATOM 749 CZ ARG A 51 8.947 16.814 4.389 1.00 0.00 C ATOM 750 NH1 ARG A 51 8.958 17.808 3.513 1.00 0.00 N ATOM 751 NH2 ARG A 51 9.836 16.794 5.374 1.00 0.00 N ATOM 0 H ARG A 51 6.250 12.910 0.636 1.00 0.00 H new ATOM 0 HA ARG A 51 8.967 13.781 0.065 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.415 13.274 2.633 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.065 13.862 2.586 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.424 15.932 1.597 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.844 15.326 1.141 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.613 16.778 3.083 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.223 15.133 3.545 1.00 0.00 H new ATOM 0 HE ARG A 51 8.069 15.089 4.972 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.277 17.827 2.754 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.648 18.555 3.597 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.831 16.030 6.050 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.524 17.542 5.455 1.00 0.00 H new ATOM 765 N ASN A 52 8.231 10.771 1.119 1.00 0.00 N ATOM 766 CA ASN A 52 8.770 9.434 1.338 1.00 0.00 C ATOM 767 C ASN A 52 9.665 9.012 0.176 1.00 0.00 C ATOM 768 O ASN A 52 10.849 8.735 0.361 1.00 0.00 O ATOM 769 CB ASN A 52 7.632 8.425 1.512 1.00 0.00 C ATOM 770 CG ASN A 52 7.933 7.095 0.849 1.00 0.00 C ATOM 771 OD1 ASN A 52 8.940 6.453 1.148 1.00 0.00 O ATOM 772 ND2 ASN A 52 7.057 6.674 -0.056 1.00 0.00 N ATOM 0 H ASN A 52 7.213 10.825 1.145 1.00 0.00 H new ATOM 0 HA ASN A 52 9.370 9.455 2.248 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.451 8.265 2.575 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.716 8.839 1.091 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.205 5.786 -0.535 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.236 7.239 -0.272 1.00 0.00 H new ATOM 779 N GLY A 53 9.089 8.965 -1.021 1.00 0.00 N ATOM 780 CA GLY A 53 9.849 8.577 -2.195 1.00 0.00 C ATOM 781 C GLY A 53 9.610 7.133 -2.589 1.00 0.00 C ATOM 782 O GLY A 53 9.269 6.843 -3.736 1.00 0.00 O ATOM 0 H GLY A 53 8.110 9.189 -1.199 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.582 9.227 -3.028 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.911 8.727 -2.002 1.00 0.00 H new ATOM 786 N ARG A 54 9.790 6.224 -1.636 1.00 0.00 N ATOM 787 CA ARG A 54 9.594 4.801 -1.890 1.00 0.00 C ATOM 788 C ARG A 54 8.437 4.576 -2.859 1.00 0.00 C ATOM 789 O ARG A 54 8.429 3.607 -3.617 1.00 0.00 O ATOM 790 CB ARG A 54 9.327 4.059 -0.579 1.00 0.00 C ATOM 791 CG ARG A 54 10.531 4.007 0.347 1.00 0.00 C ATOM 792 CD ARG A 54 11.536 2.959 -0.104 1.00 0.00 C ATOM 793 NE ARG A 54 12.609 2.775 0.870 1.00 0.00 N ATOM 794 CZ ARG A 54 12.438 2.188 2.049 1.00 0.00 C ATOM 795 NH1 ARG A 54 11.243 1.731 2.399 1.00 0.00 N ATOM 796 NH2 ARG A 54 13.463 2.057 2.881 1.00 0.00 N ATOM 0 H ARG A 54 10.071 6.447 -0.681 1.00 0.00 H new ATOM 0 HA ARG A 54 10.505 4.409 -2.342 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.500 4.543 -0.059 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.009 3.041 -0.805 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.012 4.985 0.376 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.202 3.784 1.362 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.024 2.010 -0.263 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.963 3.255 -1.062 1.00 0.00 H new ATOM 0 HE ARG A 54 13.540 3.116 0.632 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.453 1.830 1.762 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.115 1.281 3.305 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.383 2.407 2.615 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.331 1.606 3.786 1.00 0.00 H new ATOM 810 N MET A 55 7.462 5.479 -2.828 1.00 0.00 N ATOM 811 CA MET A 55 6.300 5.379 -3.704 1.00 0.00 C ATOM 812 C MET A 55 6.122 6.657 -4.518 1.00 0.00 C ATOM 813 O MET A 55 6.432 7.751 -4.048 1.00 0.00 O ATOM 814 CB MET A 55 5.039 5.101 -2.885 1.00 0.00 C ATOM 815 CG MET A 55 4.389 6.357 -2.325 1.00 0.00 C ATOM 816 SD MET A 55 2.863 6.009 -1.431 1.00 0.00 S ATOM 817 CE MET A 55 1.643 6.608 -2.597 1.00 0.00 C ATOM 0 H MET A 55 7.453 6.288 -2.206 1.00 0.00 H new ATOM 0 HA MET A 55 6.465 4.551 -4.393 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.317 4.576 -3.511 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.291 4.434 -2.061 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.090 6.858 -1.658 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.178 7.047 -3.142 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.730 6.021 -2.502 1.00 0.00 H new ATOM 0 HE2 MET A 55 1.424 7.655 -2.389 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.032 6.513 -3.611 1.00 0.00 H new ATOM 827 N ARG A 56 5.620 6.510 -5.740 1.00 0.00 N ATOM 828 CA ARG A 56 5.402 7.652 -6.619 1.00 0.00 C ATOM 829 C ARG A 56 4.075 7.521 -7.362 1.00 0.00 C ATOM 830 O ARG A 56 3.337 6.554 -7.170 1.00 0.00 O ATOM 831 CB ARG A 56 6.550 7.778 -7.622 1.00 0.00 C ATOM 832 CG ARG A 56 7.733 8.574 -7.096 1.00 0.00 C ATOM 833 CD ARG A 56 8.649 7.711 -6.242 1.00 0.00 C ATOM 834 NE ARG A 56 9.737 7.127 -7.023 1.00 0.00 N ATOM 835 CZ ARG A 56 10.333 5.982 -6.710 1.00 0.00 C ATOM 836 NH1 ARG A 56 9.949 5.302 -5.639 1.00 0.00 N ATOM 837 NH2 ARG A 56 11.315 5.516 -7.471 1.00 0.00 N ATOM 0 H ARG A 56 5.357 5.611 -6.143 1.00 0.00 H new ATOM 0 HA ARG A 56 5.367 8.551 -6.003 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.889 6.780 -7.901 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.178 8.253 -8.530 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.296 8.987 -7.933 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.373 9.418 -6.507 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.065 8.313 -5.435 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.068 6.914 -5.778 1.00 0.00 H new ATOM 0 HE ARG A 56 10.056 7.626 -7.854 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.194 5.658 -5.053 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.409 4.423 -5.401 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.612 6.037 -8.296 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.773 4.637 -7.231 1.00 0.00 H new ATOM 851 N VAL A 57 3.779 8.500 -8.210 1.00 0.00 N ATOM 852 CA VAL A 57 2.542 8.494 -8.982 1.00 0.00 C ATOM 853 C VAL A 57 2.704 7.699 -10.273 1.00 0.00 C ATOM 854 O VAL A 57 3.555 8.012 -11.105 1.00 0.00 O ATOM 855 CB VAL A 57 2.089 9.926 -9.327 1.00 0.00 C ATOM 856 CG1 VAL A 57 0.848 9.896 -10.206 1.00 0.00 C ATOM 857 CG2 VAL A 57 1.834 10.724 -8.057 1.00 0.00 C ATOM 0 H VAL A 57 4.379 9.307 -8.380 1.00 0.00 H new ATOM 0 HA VAL A 57 1.783 8.020 -8.360 1.00 0.00 H new ATOM 0 HB VAL A 57 2.887 10.417 -9.883 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.543 10.916 -10.439 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.070 9.363 -11.131 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.041 9.387 -9.679 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.515 11.733 -8.319 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.054 10.237 -7.472 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.750 10.775 -7.469 1.00 0.00 H new ATOM 867 N GLY A 58 1.880 6.668 -10.434 1.00 0.00 N ATOM 868 CA GLY A 58 1.948 5.843 -11.626 1.00 0.00 C ATOM 869 C GLY A 58 2.369 4.419 -11.323 1.00 0.00 C ATOM 870 O GLY A 58 2.290 3.545 -12.186 1.00 0.00 O ATOM 0 H GLY A 58 1.167 6.389 -9.760 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.973 5.834 -12.114 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.653 6.285 -12.330 1.00 0.00 H new ATOM 874 N ASP A 59 2.819 4.186 -10.095 1.00 0.00 N ATOM 875 CA ASP A 59 3.256 2.858 -9.681 1.00 0.00 C ATOM 876 C ASP A 59 2.060 1.937 -9.458 1.00 0.00 C ATOM 877 O ASP A 59 0.920 2.394 -9.381 1.00 0.00 O ATOM 878 CB ASP A 59 4.091 2.948 -8.402 1.00 0.00 C ATOM 879 CG ASP A 59 5.446 3.583 -8.640 1.00 0.00 C ATOM 880 OD1 ASP A 59 5.489 4.697 -9.203 1.00 0.00 O ATOM 881 OD2 ASP A 59 6.464 2.967 -8.262 1.00 0.00 O ATOM 0 H ASP A 59 2.891 4.899 -9.369 1.00 0.00 H new ATOM 0 HA ASP A 59 3.870 2.440 -10.478 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.547 3.528 -7.656 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.229 1.948 -7.990 1.00 0.00 H new ATOM 886 N GLN A 60 2.329 0.640 -9.357 1.00 0.00 N ATOM 887 CA GLN A 60 1.274 -0.344 -9.145 1.00 0.00 C ATOM 888 C GLN A 60 1.407 -0.998 -7.774 1.00 0.00 C ATOM 889 O GLN A 60 2.387 -1.691 -7.498 1.00 0.00 O ATOM 890 CB GLN A 60 1.317 -1.413 -10.239 1.00 0.00 C ATOM 891 CG GLN A 60 0.085 -2.303 -10.268 1.00 0.00 C ATOM 892 CD GLN A 60 0.238 -3.539 -9.403 1.00 0.00 C ATOM 893 OE1 GLN A 60 0.977 -4.463 -9.746 1.00 0.00 O ATOM 894 NE2 GLN A 60 -0.462 -3.563 -8.275 1.00 0.00 N ATOM 0 H GLN A 60 3.268 0.246 -9.418 1.00 0.00 H new ATOM 0 HA GLN A 60 0.316 0.173 -9.189 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.426 -0.925 -11.208 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.201 -2.034 -10.094 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.779 -1.732 -9.929 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.116 -2.606 -11.296 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.062 -2.775 -8.030 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.400 -4.369 -7.653 1.00 0.00 H new ATOM 903 N ILE A 61 0.416 -0.773 -6.918 1.00 0.00 N ATOM 904 CA ILE A 61 0.423 -1.341 -5.575 1.00 0.00 C ATOM 905 C ILE A 61 -0.053 -2.790 -5.589 1.00 0.00 C ATOM 906 O ILE A 61 -1.181 -3.079 -5.992 1.00 0.00 O ATOM 907 CB ILE A 61 -0.467 -0.529 -4.616 1.00 0.00 C ATOM 908 CG1 ILE A 61 -0.179 0.966 -4.760 1.00 0.00 C ATOM 909 CG2 ILE A 61 -0.247 -0.980 -3.180 1.00 0.00 C ATOM 910 CD1 ILE A 61 -1.381 1.843 -4.488 1.00 0.00 C ATOM 0 H ILE A 61 -0.402 -0.202 -7.130 1.00 0.00 H new ATOM 0 HA ILE A 61 1.453 -1.303 -5.221 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.511 -0.705 -4.876 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.623 1.241 -4.075 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.183 1.162 -5.769 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.883 -0.397 -2.514 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.498 -2.037 -3.088 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.798 -0.830 -2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.102 2.890 -4.609 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.178 1.596 -5.190 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.730 1.676 -3.469 1.00 0.00 H new ATOM 922 N ILE A 62 0.812 -3.695 -5.146 1.00 0.00 N ATOM 923 CA ILE A 62 0.479 -5.114 -5.105 1.00 0.00 C ATOM 924 C ILE A 62 -0.016 -5.522 -3.721 1.00 0.00 C ATOM 925 O ILE A 62 -0.801 -6.460 -3.584 1.00 0.00 O ATOM 926 CB ILE A 62 1.689 -5.988 -5.483 1.00 0.00 C ATOM 927 CG1 ILE A 62 2.993 -5.273 -5.125 1.00 0.00 C ATOM 928 CG2 ILE A 62 1.654 -6.327 -6.966 1.00 0.00 C ATOM 929 CD1 ILE A 62 3.403 -4.223 -6.133 1.00 0.00 C ATOM 0 H ILE A 62 1.749 -3.472 -4.810 1.00 0.00 H new ATOM 0 HA ILE A 62 -0.315 -5.273 -5.835 1.00 0.00 H new ATOM 0 HB ILE A 62 1.639 -6.918 -4.916 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.884 -4.803 -4.147 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.790 -6.011 -5.037 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.516 -6.945 -7.218 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.738 -6.872 -7.193 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.684 -5.407 -7.550 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.336 -3.757 -5.815 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.545 -4.690 -7.108 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.624 -3.464 -6.204 1.00 0.00 H new ATOM 941 N GLU A 63 0.446 -4.810 -2.699 1.00 0.00 N ATOM 942 CA GLU A 63 0.049 -5.098 -1.326 1.00 0.00 C ATOM 943 C GLU A 63 -0.318 -3.815 -0.585 1.00 0.00 C ATOM 944 O GLU A 63 0.144 -2.729 -0.936 1.00 0.00 O ATOM 945 CB GLU A 63 1.177 -5.821 -0.587 1.00 0.00 C ATOM 946 CG GLU A 63 0.699 -6.639 0.602 1.00 0.00 C ATOM 947 CD GLU A 63 1.830 -7.371 1.298 1.00 0.00 C ATOM 948 OE1 GLU A 63 2.939 -6.804 1.388 1.00 0.00 O ATOM 949 OE2 GLU A 63 1.605 -8.512 1.754 1.00 0.00 O ATOM 0 H GLU A 63 1.096 -4.030 -2.795 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.829 -5.744 -1.356 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.695 -6.479 -1.285 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.904 -5.086 -0.243 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.204 -5.981 1.316 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.044 -7.362 0.266 1.00 0.00 H new ATOM 956 N ILE A 64 -1.152 -3.950 0.440 1.00 0.00 N ATOM 957 CA ILE A 64 -1.582 -2.803 1.231 1.00 0.00 C ATOM 958 C ILE A 64 -1.716 -3.170 2.705 1.00 0.00 C ATOM 959 O ILE A 64 -2.508 -4.038 3.069 1.00 0.00 O ATOM 960 CB ILE A 64 -2.926 -2.244 0.728 1.00 0.00 C ATOM 961 CG1 ILE A 64 -2.778 -1.700 -0.694 1.00 0.00 C ATOM 962 CG2 ILE A 64 -3.433 -1.159 1.666 1.00 0.00 C ATOM 963 CD1 ILE A 64 -4.015 -0.996 -1.204 1.00 0.00 C ATOM 0 H ILE A 64 -1.544 -4.842 0.743 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.815 -2.037 1.119 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.656 -3.054 0.712 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.937 -1.007 -0.723 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.536 -2.523 -1.366 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.384 -0.774 1.297 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.573 -1.576 2.663 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.706 -0.348 1.711 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.837 -0.637 -2.218 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.854 -1.692 -1.207 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.247 -0.151 -0.555 1.00 0.00 H new ATOM 975 N ASN A 65 -0.937 -2.501 3.549 1.00 0.00 N ATOM 976 CA ASN A 65 -0.969 -2.756 4.984 1.00 0.00 C ATOM 977 C ASN A 65 -0.746 -4.236 5.279 1.00 0.00 C ATOM 978 O ASN A 65 -1.251 -4.766 6.268 1.00 0.00 O ATOM 979 CB ASN A 65 -2.307 -2.304 5.574 1.00 0.00 C ATOM 980 CG ASN A 65 -2.277 -0.859 6.032 1.00 0.00 C ATOM 981 OD1 ASN A 65 -1.210 -0.258 6.159 1.00 0.00 O ATOM 982 ND2 ASN A 65 -3.452 -0.294 6.284 1.00 0.00 N ATOM 0 H ASN A 65 -0.276 -1.778 3.264 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.164 -2.186 5.447 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.091 -2.430 4.828 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.564 -2.945 6.418 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.495 0.676 6.596 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -4.312 -0.830 6.165 1.00 0.00 H new ATOM 1072 N MET A 72 -9.732 -7.043 -3.563 1.00 0.00 N ATOM 1073 CA MET A 72 -10.137 -5.850 -2.829 1.00 0.00 C ATOM 1074 C MET A 72 -10.592 -4.751 -3.785 1.00 0.00 C ATOM 1075 O MET A 72 -10.095 -4.645 -4.907 1.00 0.00 O ATOM 1076 CB MET A 72 -8.983 -5.342 -1.962 1.00 0.00 C ATOM 1077 CG MET A 72 -8.222 -6.451 -1.253 1.00 0.00 C ATOM 1078 SD MET A 72 -7.474 -5.901 0.292 1.00 0.00 S ATOM 1079 CE MET A 72 -6.731 -4.355 -0.222 1.00 0.00 C ATOM 0 HA MET A 72 -10.975 -6.117 -2.186 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.290 -4.779 -2.587 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.376 -4.649 -1.218 1.00 0.00 H new ATOM 0 HG2 MET A 72 -8.901 -7.279 -1.049 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.443 -6.832 -1.914 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.823 -4.179 0.354 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.484 -4.405 -1.283 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.433 -3.539 -0.051 1.00 0.00 H new ATOM 1089 N THR A 73 -11.539 -3.935 -3.334 1.00 0.00 N ATOM 1090 CA THR A 73 -12.062 -2.846 -4.149 1.00 0.00 C ATOM 1091 C THR A 73 -11.452 -1.511 -3.739 1.00 0.00 C ATOM 1092 O THR A 73 -11.057 -1.324 -2.588 1.00 0.00 O ATOM 1093 CB THR A 73 -13.596 -2.751 -4.043 1.00 0.00 C ATOM 1094 OG1 THR A 73 -13.985 -2.628 -2.671 1.00 0.00 O ATOM 1095 CG2 THR A 73 -14.257 -3.975 -4.657 1.00 0.00 C ATOM 0 H THR A 73 -11.960 -4.008 -2.408 1.00 0.00 H new ATOM 0 HA THR A 73 -11.790 -3.065 -5.181 1.00 0.00 H new ATOM 0 HB THR A 73 -13.923 -1.868 -4.592 1.00 0.00 H new ATOM 0 HG1 THR A 73 -14.961 -2.566 -2.612 1.00 0.00 H new ATOM 0 HG21 THR A 73 -15.340 -3.886 -4.570 1.00 0.00 H new ATOM 0 HG22 THR A 73 -13.982 -4.048 -5.709 1.00 0.00 H new ATOM 0 HG23 THR A 73 -13.924 -4.870 -4.132 1.00 0.00 H new ATOM 1103 N HIS A 74 -11.378 -0.583 -4.688 1.00 0.00 N ATOM 1104 CA HIS A 74 -10.816 0.738 -4.424 1.00 0.00 C ATOM 1105 C HIS A 74 -11.247 1.247 -3.052 1.00 0.00 C ATOM 1106 O HIS A 74 -10.469 1.887 -2.345 1.00 0.00 O ATOM 1107 CB HIS A 74 -11.252 1.726 -5.507 1.00 0.00 C ATOM 1108 CG HIS A 74 -10.463 2.999 -5.508 1.00 0.00 C ATOM 1109 ND1 HIS A 74 -10.824 4.107 -6.245 1.00 0.00 N ATOM 1110 CD2 HIS A 74 -9.326 3.336 -4.856 1.00 0.00 C ATOM 1111 CE1 HIS A 74 -9.942 5.071 -6.046 1.00 0.00 C ATOM 1112 NE2 HIS A 74 -9.023 4.629 -5.207 1.00 0.00 N ATOM 0 H HIS A 74 -11.700 -0.721 -5.646 1.00 0.00 H new ATOM 0 HA HIS A 74 -9.729 0.653 -4.436 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -11.157 1.249 -6.482 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -12.307 1.962 -5.369 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -8.762 2.706 -4.185 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -9.968 6.054 -6.494 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -8.219 5.161 -4.874 1.00 0.00 H new ATOM 1121 N ALA A 75 -12.490 0.958 -2.682 1.00 0.00 N ATOM 1122 CA ALA A 75 -13.023 1.386 -1.395 1.00 0.00 C ATOM 1123 C ALA A 75 -12.235 0.771 -0.243 1.00 0.00 C ATOM 1124 O ALA A 75 -11.846 1.466 0.696 1.00 0.00 O ATOM 1125 CB ALA A 75 -14.496 1.019 -1.285 1.00 0.00 C ATOM 0 H ALA A 75 -13.147 0.429 -3.256 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.924 2.470 -1.331 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -14.881 1.345 -0.319 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -15.054 1.510 -2.082 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.610 -0.061 -1.375 1.00 0.00 H new ATOM 1131 N ARG A 76 -12.004 -0.535 -0.321 1.00 0.00 N ATOM 1132 CA ARG A 76 -11.264 -1.244 0.716 1.00 0.00 C ATOM 1133 C ARG A 76 -9.926 -0.564 0.989 1.00 0.00 C ATOM 1134 O ARG A 76 -9.690 -0.053 2.083 1.00 0.00 O ATOM 1135 CB ARG A 76 -11.035 -2.699 0.305 1.00 0.00 C ATOM 1136 CG ARG A 76 -10.098 -3.454 1.233 1.00 0.00 C ATOM 1137 CD ARG A 76 -10.544 -3.346 2.683 1.00 0.00 C ATOM 1138 NE ARG A 76 -10.168 -4.524 3.461 1.00 0.00 N ATOM 1139 CZ ARG A 76 -10.778 -4.889 4.583 1.00 0.00 C ATOM 1140 NH1 ARG A 76 -11.788 -4.173 5.056 1.00 0.00 N ATOM 1141 NH2 ARG A 76 -10.377 -5.974 5.234 1.00 0.00 N ATOM 0 H ARG A 76 -12.319 -1.124 -1.092 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.857 -1.222 1.630 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.995 -3.214 0.274 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.628 -2.722 -0.706 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.061 -4.503 0.940 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.087 -3.059 1.132 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.101 -2.458 3.133 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.626 -3.217 2.721 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.395 -5.098 3.124 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -12.099 -3.339 4.558 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -12.254 -4.456 5.918 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.600 -6.528 4.873 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.846 -6.254 6.096 1.00 0.00 H new ATOM 1155 N ALA A 77 -9.053 -0.564 -0.013 1.00 0.00 N ATOM 1156 CA ALA A 77 -7.739 0.053 0.119 1.00 0.00 C ATOM 1157 C ALA A 77 -7.844 1.439 0.747 1.00 0.00 C ATOM 1158 O ALA A 77 -6.991 1.836 1.542 1.00 0.00 O ATOM 1159 CB ALA A 77 -7.057 0.138 -1.239 1.00 0.00 C ATOM 0 H ALA A 77 -9.232 -0.984 -0.925 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.136 -0.572 0.778 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.077 0.601 -1.125 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.940 -0.864 -1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.666 0.739 -1.915 1.00 0.00 H new ATOM 1165 N ILE A 78 -8.893 2.169 0.386 1.00 0.00 N ATOM 1166 CA ILE A 78 -9.109 3.510 0.916 1.00 0.00 C ATOM 1167 C ILE A 78 -9.364 3.473 2.419 1.00 0.00 C ATOM 1168 O ILE A 78 -9.010 4.405 3.141 1.00 0.00 O ATOM 1169 CB ILE A 78 -10.296 4.205 0.222 1.00 0.00 C ATOM 1170 CG1 ILE A 78 -9.931 4.567 -1.219 1.00 0.00 C ATOM 1171 CG2 ILE A 78 -10.709 5.447 0.998 1.00 0.00 C ATOM 1172 CD1 ILE A 78 -9.041 5.785 -1.329 1.00 0.00 C ATOM 0 H ILE A 78 -9.607 1.855 -0.271 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.200 4.078 0.718 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.140 3.516 0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.429 3.717 -1.683 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.846 4.744 -1.784 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.549 5.927 0.496 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.005 5.163 2.008 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.870 6.141 1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.823 5.983 -2.379 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.548 6.647 -0.895 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.109 5.605 -0.793 1.00 0.00 H new ATOM 1184 N GLU A 79 -9.978 2.390 2.883 1.00 0.00 N ATOM 1185 CA GLU A 79 -10.279 2.231 4.301 1.00 0.00 C ATOM 1186 C GLU A 79 -9.107 1.590 5.038 1.00 0.00 C ATOM 1187 O GLU A 79 -8.960 1.746 6.251 1.00 0.00 O ATOM 1188 CB GLU A 79 -11.538 1.382 4.487 1.00 0.00 C ATOM 1189 CG GLU A 79 -11.249 -0.083 4.763 1.00 0.00 C ATOM 1190 CD GLU A 79 -12.480 -0.958 4.623 1.00 0.00 C ATOM 1191 OE1 GLU A 79 -13.255 -0.741 3.667 1.00 0.00 O ATOM 1192 OE2 GLU A 79 -12.669 -1.857 5.467 1.00 0.00 O ATOM 0 H GLU A 79 -10.277 1.610 2.298 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.452 3.222 4.722 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.122 1.790 5.312 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.154 1.460 3.591 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.479 -0.433 4.075 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.847 -0.186 5.771 1.00 0.00 H new ATOM 1199 N LEU A 80 -8.275 0.866 4.296 1.00 0.00 N ATOM 1200 CA LEU A 80 -7.115 0.199 4.878 1.00 0.00 C ATOM 1201 C LEU A 80 -6.069 1.216 5.323 1.00 0.00 C ATOM 1202 O LEU A 80 -5.478 1.084 6.396 1.00 0.00 O ATOM 1203 CB LEU A 80 -6.501 -0.772 3.868 1.00 0.00 C ATOM 1204 CG LEU A 80 -7.333 -2.012 3.538 1.00 0.00 C ATOM 1205 CD1 LEU A 80 -6.571 -2.930 2.595 1.00 0.00 C ATOM 1206 CD2 LEU A 80 -7.715 -2.752 4.812 1.00 0.00 C ATOM 0 H LEU A 80 -8.382 0.726 3.291 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.448 -0.359 5.753 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.311 -0.230 2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.534 -1.099 4.250 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.248 -1.691 3.040 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.178 -3.807 2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.348 -2.398 1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.640 -3.244 3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.307 -3.632 4.558 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.812 -3.062 5.338 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.301 -2.094 5.454 1.00 0.00 H new ATOM 1218 N ILE A 81 -5.847 2.230 4.495 1.00 0.00 N ATOM 1219 CA ILE A 81 -4.874 3.271 4.805 1.00 0.00 C ATOM 1220 C ILE A 81 -5.248 4.007 6.087 1.00 0.00 C ATOM 1221 O ILE A 81 -4.378 4.454 6.836 1.00 0.00 O ATOM 1222 CB ILE A 81 -4.755 4.291 3.657 1.00 0.00 C ATOM 1223 CG1 ILE A 81 -4.509 3.571 2.330 1.00 0.00 C ATOM 1224 CG2 ILE A 81 -3.638 5.283 3.944 1.00 0.00 C ATOM 1225 CD1 ILE A 81 -4.888 4.392 1.117 1.00 0.00 C ATOM 0 H ILE A 81 -6.327 2.354 3.604 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.913 2.775 4.940 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.692 4.842 3.581 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.455 3.302 2.262 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.076 2.640 2.320 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.566 5.997 3.124 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.853 5.815 4.871 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.693 4.748 4.043 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.687 3.819 0.212 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -5.949 4.639 1.162 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.302 5.311 1.102 1.00 0.00 H new ATOM 1237 N LYS A 82 -6.547 4.128 6.336 1.00 0.00 N ATOM 1238 CA LYS A 82 -7.038 4.807 7.530 1.00 0.00 C ATOM 1239 C LYS A 82 -7.377 3.803 8.627 1.00 0.00 C ATOM 1240 O LYS A 82 -7.507 4.166 9.796 1.00 0.00 O ATOM 1241 CB LYS A 82 -8.273 5.646 7.193 1.00 0.00 C ATOM 1242 CG LYS A 82 -9.079 5.102 6.026 1.00 0.00 C ATOM 1243 CD LYS A 82 -10.269 5.991 5.707 1.00 0.00 C ATOM 1244 CE LYS A 82 -9.835 7.281 5.028 1.00 0.00 C ATOM 1245 NZ LYS A 82 -8.717 7.054 4.069 1.00 0.00 N ATOM 0 H LYS A 82 -7.280 3.765 5.727 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.248 5.464 7.894 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.915 5.702 8.072 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.958 6.664 6.963 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.439 5.020 5.147 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.428 4.096 6.261 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -10.963 5.454 5.060 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.806 6.225 6.626 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -10.683 7.717 4.500 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.525 8.003 5.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -8.745 7.780 3.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -7.810 7.111 4.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -8.815 6.113 3.638 1.00 0.00 H new ATOM 1259 N SER A 83 -7.518 2.538 8.242 1.00 0.00 N ATOM 1260 CA SER A 83 -7.844 1.481 9.192 1.00 0.00 C ATOM 1261 C SER A 83 -6.651 1.172 10.091 1.00 0.00 C ATOM 1262 O SER A 83 -6.810 0.890 11.278 1.00 0.00 O ATOM 1263 CB SER A 83 -8.279 0.216 8.451 1.00 0.00 C ATOM 1264 OG SER A 83 -8.427 -0.873 9.345 1.00 0.00 O ATOM 0 H SER A 83 -7.411 2.221 7.279 1.00 0.00 H new ATOM 0 HA SER A 83 -8.667 1.829 9.816 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.222 0.399 7.936 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.542 -0.034 7.688 1.00 0.00 H new ATOM 0 HG SER A 83 -8.707 -1.669 8.847 1.00 0.00 H new ATOM 1270 N GLY A 84 -5.453 1.229 9.516 1.00 0.00 N ATOM 1271 CA GLY A 84 -4.250 0.953 10.278 1.00 0.00 C ATOM 1272 C GLY A 84 -3.964 2.020 11.316 1.00 0.00 C ATOM 1273 O GLY A 84 -3.699 1.711 12.477 1.00 0.00 O ATOM 0 H GLY A 84 -5.295 1.462 8.536 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -4.351 -0.013 10.773 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.402 0.876 9.597 1.00 0.00 H new ATOM 1277 N GLY A 85 -4.016 3.281 10.897 1.00 0.00 N ATOM 1278 CA GLY A 85 -3.756 4.378 11.811 1.00 0.00 C ATOM 1279 C GLY A 85 -3.003 5.516 11.151 1.00 0.00 C ATOM 1280 O GLY A 85 -3.396 5.994 10.087 1.00 0.00 O ATOM 0 H GLY A 85 -4.234 3.562 9.941 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.702 4.752 12.204 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.181 4.010 12.661 1.00 0.00 H new ATOM 1284 N ARG A 86 -1.920 5.952 11.785 1.00 0.00 N ATOM 1285 CA ARG A 86 -1.112 7.044 11.254 1.00 0.00 C ATOM 1286 C ARG A 86 0.054 6.507 10.429 1.00 0.00 C ATOM 1287 O ARG A 86 0.679 7.243 9.666 1.00 0.00 O ATOM 1288 CB ARG A 86 -0.584 7.917 12.394 1.00 0.00 C ATOM 1289 CG ARG A 86 -1.452 9.131 12.683 1.00 0.00 C ATOM 1290 CD ARG A 86 -1.105 9.757 14.024 1.00 0.00 C ATOM 1291 NE ARG A 86 -1.833 11.003 14.252 1.00 0.00 N ATOM 1292 CZ ARG A 86 -1.495 11.892 15.179 1.00 0.00 C ATOM 1293 NH1 ARG A 86 -0.447 11.674 15.961 1.00 0.00 N ATOM 1294 NH2 ARG A 86 -2.207 13.003 15.325 1.00 0.00 N ATOM 0 H ARG A 86 -1.581 5.566 12.667 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.746 7.649 10.605 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.507 7.312 13.298 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.424 8.252 12.147 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.323 9.869 11.891 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.502 8.839 12.678 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.334 9.052 14.823 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.033 9.950 14.067 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.645 11.201 13.667 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.102 10.822 15.852 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.190 12.359 16.672 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.014 13.174 14.725 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.947 13.685 16.037 1.00 0.00 H new ATOM 1308 N ARG A 87 0.340 5.219 10.588 1.00 0.00 N ATOM 1309 CA ARG A 87 1.431 4.583 9.859 1.00 0.00 C ATOM 1310 C ARG A 87 0.896 3.551 8.870 1.00 0.00 C ATOM 1311 O ARG A 87 0.172 2.630 9.248 1.00 0.00 O ATOM 1312 CB ARG A 87 2.402 3.915 10.834 1.00 0.00 C ATOM 1313 CG ARG A 87 2.946 4.858 11.895 1.00 0.00 C ATOM 1314 CD ARG A 87 3.632 4.097 13.018 1.00 0.00 C ATOM 1315 NE ARG A 87 4.670 4.895 13.666 1.00 0.00 N ATOM 1316 CZ ARG A 87 5.683 4.370 14.346 1.00 0.00 C ATOM 1317 NH1 ARG A 87 5.795 3.054 14.466 1.00 0.00 N ATOM 1318 NH2 ARG A 87 6.588 5.162 14.907 1.00 0.00 N ATOM 0 H ARG A 87 -0.168 4.595 11.215 1.00 0.00 H new ATOM 0 HA ARG A 87 1.960 5.355 9.301 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.896 3.083 11.324 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.236 3.494 10.272 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.653 5.551 11.439 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.132 5.456 12.304 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.890 3.797 13.758 1.00 0.00 H new ATOM 0 HD3 ARG A 87 4.073 3.183 12.620 1.00 0.00 H new ATOM 0 HE ARG A 87 4.614 5.911 13.592 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.102 2.442 14.035 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.574 2.654 14.989 1.00 0.00 H new ATOM 0 HH21 ARG A 87 6.506 6.175 14.816 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.366 4.758 15.429 1.00 0.00 H new ATOM 1332 N VAL A 88 1.258 3.713 7.601 1.00 0.00 N ATOM 1333 CA VAL A 88 0.815 2.796 6.558 1.00 0.00 C ATOM 1334 C VAL A 88 2.004 2.171 5.835 1.00 0.00 C ATOM 1335 O VAL A 88 3.048 2.802 5.675 1.00 0.00 O ATOM 1336 CB VAL A 88 -0.081 3.508 5.527 1.00 0.00 C ATOM 1337 CG1 VAL A 88 0.719 4.541 4.747 1.00 0.00 C ATOM 1338 CG2 VAL A 88 -0.721 2.497 4.588 1.00 0.00 C ATOM 0 H VAL A 88 1.856 4.470 7.271 1.00 0.00 H new ATOM 0 HA VAL A 88 0.238 2.013 7.050 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.877 4.027 6.061 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.069 5.034 4.023 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.124 5.283 5.435 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.537 4.047 4.223 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.350 3.018 3.867 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.058 1.947 4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.330 1.800 5.164 1.00 0.00 H new ATOM 1348 N ARG A 89 1.837 0.926 5.400 1.00 0.00 N ATOM 1349 CA ARG A 89 2.896 0.215 4.695 1.00 0.00 C ATOM 1350 C ARG A 89 2.322 -0.626 3.558 1.00 0.00 C ATOM 1351 O ARG A 89 1.620 -1.611 3.793 1.00 0.00 O ATOM 1352 CB ARG A 89 3.672 -0.680 5.664 1.00 0.00 C ATOM 1353 CG ARG A 89 4.581 -1.682 4.972 1.00 0.00 C ATOM 1354 CD ARG A 89 4.953 -2.829 5.899 1.00 0.00 C ATOM 1355 NE ARG A 89 5.799 -3.817 5.235 1.00 0.00 N ATOM 1356 CZ ARG A 89 6.545 -4.702 5.886 1.00 0.00 C ATOM 1357 NH1 ARG A 89 6.549 -4.723 7.212 1.00 0.00 N ATOM 1358 NH2 ARG A 89 7.288 -5.570 5.211 1.00 0.00 N ATOM 0 H ARG A 89 0.978 0.389 5.524 1.00 0.00 H new ATOM 0 HA ARG A 89 3.575 0.954 4.271 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.272 -0.053 6.323 1.00 0.00 H new ATOM 0 HB3 ARG A 89 2.964 -1.219 6.294 1.00 0.00 H new ATOM 0 HG2 ARG A 89 4.083 -2.076 4.086 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.486 -1.179 4.632 1.00 0.00 H new ATOM 0 HD2 ARG A 89 5.473 -2.435 6.772 1.00 0.00 H new ATOM 0 HD3 ARG A 89 4.045 -3.313 6.259 1.00 0.00 H new ATOM 0 HE ARG A 89 5.818 -3.828 4.215 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.978 -4.058 7.734 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.123 -5.404 7.710 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.287 -5.558 4.191 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.861 -6.249 5.712 1.00 0.00 H new ATOM 1372 N LEU A 90 2.625 -0.231 2.326 1.00 0.00 N ATOM 1373 CA LEU A 90 2.140 -0.948 1.152 1.00 0.00 C ATOM 1374 C LEU A 90 3.296 -1.343 0.239 1.00 0.00 C ATOM 1375 O LEU A 90 4.300 -0.635 0.150 1.00 0.00 O ATOM 1376 CB LEU A 90 1.138 -0.086 0.382 1.00 0.00 C ATOM 1377 CG LEU A 90 1.294 1.427 0.539 1.00 0.00 C ATOM 1378 CD1 LEU A 90 0.903 2.140 -0.746 1.00 0.00 C ATOM 1379 CD2 LEU A 90 0.458 1.931 1.706 1.00 0.00 C ATOM 0 H LEU A 90 3.204 0.582 2.114 1.00 0.00 H new ATOM 0 HA LEU A 90 1.643 -1.857 1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.217 -0.331 -0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.132 -0.362 0.699 1.00 0.00 H new ATOM 0 HG LEU A 90 2.341 1.645 0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.020 3.216 -0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.544 1.801 -1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.136 1.915 -0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.581 3.010 1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.592 1.700 1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.785 1.445 2.625 1.00 0.00 H new ATOM 1391 N LEU A 91 3.147 -2.475 -0.441 1.00 0.00 N ATOM 1392 CA LEU A 91 4.177 -2.963 -1.350 1.00 0.00 C ATOM 1393 C LEU A 91 4.022 -2.339 -2.734 1.00 0.00 C ATOM 1394 O LEU A 91 2.985 -2.489 -3.381 1.00 0.00 O ATOM 1395 CB LEU A 91 4.112 -4.487 -1.455 1.00 0.00 C ATOM 1396 CG LEU A 91 5.396 -5.185 -1.906 1.00 0.00 C ATOM 1397 CD1 LEU A 91 5.186 -6.689 -1.987 1.00 0.00 C ATOM 1398 CD2 LEU A 91 5.858 -4.636 -3.248 1.00 0.00 C ATOM 0 H LEU A 91 2.322 -3.072 -0.380 1.00 0.00 H new ATOM 0 HA LEU A 91 5.148 -2.674 -0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.828 -4.886 -0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.316 -4.749 -2.152 1.00 0.00 H new ATOM 0 HG LEU A 91 6.173 -4.987 -1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.110 -7.169 -2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.903 -7.070 -1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.395 -6.908 -2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.773 -5.144 -3.553 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.083 -4.803 -3.996 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.050 -3.567 -3.157 1.00 0.00 H new ATOM 1410 N LEU A 92 5.060 -1.641 -3.182 1.00 0.00 N ATOM 1411 CA LEU A 92 5.041 -0.996 -4.490 1.00 0.00 C ATOM 1412 C LEU A 92 6.299 -1.335 -5.283 1.00 0.00 C ATOM 1413 O LEU A 92 7.333 -1.680 -4.710 1.00 0.00 O ATOM 1414 CB LEU A 92 4.917 0.520 -4.331 1.00 0.00 C ATOM 1415 CG LEU A 92 4.324 1.273 -5.522 1.00 0.00 C ATOM 1416 CD1 LEU A 92 2.808 1.153 -5.528 1.00 0.00 C ATOM 1417 CD2 LEU A 92 4.745 2.735 -5.492 1.00 0.00 C ATOM 0 H LEU A 92 5.925 -1.507 -2.659 1.00 0.00 H new ATOM 0 HA LEU A 92 4.177 -1.369 -5.039 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.302 0.724 -3.455 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.908 0.926 -4.127 1.00 0.00 H new ATOM 0 HG LEU A 92 4.707 0.824 -6.438 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.403 1.695 -6.383 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.526 0.102 -5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.406 1.575 -4.607 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.314 3.255 -6.347 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.391 3.197 -4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.832 2.802 -5.537 1.00 0.00 H new