USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 407 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 41 THR OG1 : rot 180:sc= -2.15 USER MOD Set 1.2: A 44 GLN : amide:sc= -8.05! K(o=-10!,f=-7.5) USER MOD Set 2.1: A 18 GLN : amide:sc= -1.71 K(o=-12,f=-9.9) USER MOD Set 2.2: A 38 CYS SG : rot -44:sc= -10.5! USER MOD Single : A 9 SER OG : rot 12:sc= 0.827 USER MOD Single : A 11 GLN : amide:sc= -0.62 K(o=-0.62,f=-0.003) USER MOD Single : A 23 LYS NZ :NH3+ 175:sc= 1.17 (180deg=1.06) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -2.93 K(o=-2.9,f=-0.93) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= 0.0707 (180deg=0.029) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 176:sc= 1.05 (180deg=1.03) USER MOD Single : A 37 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.05) USER MOD Single : A 51 ASN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 201 N SER A 9 12.106 -0.847 -0.001 1.00 0.00 N ATOM 202 CA SER A 9 12.848 -2.099 0.122 1.00 0.00 C ATOM 203 C SER A 9 11.945 -3.282 -0.243 1.00 0.00 C ATOM 204 O SER A 9 10.797 -3.080 -0.638 1.00 0.00 O ATOM 205 CB SER A 9 13.372 -2.239 1.556 1.00 0.00 C ATOM 206 OG SER A 9 13.135 -1.059 2.306 1.00 0.00 O ATOM 0 HA SER A 9 13.694 -2.092 -0.565 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.887 -3.086 2.042 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.441 -2.452 1.536 1.00 0.00 H new ATOM 0 HG SER A 9 12.520 -0.476 1.813 1.00 0.00 H new ATOM 212 N PRO A 10 12.421 -4.539 -0.107 1.00 0.00 N ATOM 213 CA PRO A 10 11.599 -5.710 -0.424 1.00 0.00 C ATOM 214 C PRO A 10 10.245 -5.631 0.265 1.00 0.00 C ATOM 215 O PRO A 10 9.265 -6.217 -0.192 1.00 0.00 O ATOM 216 CB PRO A 10 12.413 -6.897 0.112 1.00 0.00 C ATOM 217 CG PRO A 10 13.481 -6.291 0.958 1.00 0.00 C ATOM 218 CD PRO A 10 13.750 -4.934 0.374 1.00 0.00 C ATOM 0 HA PRO A 10 11.389 -5.792 -1.490 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.786 -7.573 0.694 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.841 -7.481 -0.703 1.00 0.00 H new ATOM 0 HG2 PRO A 10 13.159 -6.212 1.996 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.381 -6.905 0.949 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.137 -4.239 1.119 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.481 -4.975 -0.434 1.00 0.00 H new ATOM 226 N GLN A 11 10.199 -4.878 1.362 1.00 0.00 N ATOM 227 CA GLN A 11 8.970 -4.690 2.116 1.00 0.00 C ATOM 228 C GLN A 11 7.826 -4.313 1.188 1.00 0.00 C ATOM 229 O GLN A 11 6.669 -4.584 1.481 1.00 0.00 O ATOM 230 CB GLN A 11 9.158 -3.599 3.170 1.00 0.00 C ATOM 231 CG GLN A 11 10.081 -3.995 4.309 1.00 0.00 C ATOM 232 CD GLN A 11 10.267 -2.879 5.318 1.00 0.00 C ATOM 233 OE1 GLN A 11 10.258 -3.110 6.527 1.00 0.00 O ATOM 234 NE2 GLN A 11 10.436 -1.658 4.824 1.00 0.00 N ATOM 0 H GLN A 11 11.006 -4.387 1.747 1.00 0.00 H new ATOM 0 HA GLN A 11 8.726 -5.630 2.612 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.555 -2.706 2.687 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.184 -3.333 3.581 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.676 -4.873 4.813 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.052 -4.280 3.904 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.437 -1.512 3.815 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.565 -0.866 5.454 1.00 0.00 H new ATOM 243 N ALA A 12 8.147 -3.694 0.058 1.00 0.00 N ATOM 244 CA ALA A 12 7.120 -3.307 -0.900 1.00 0.00 C ATOM 245 C ALA A 12 6.134 -4.453 -1.100 1.00 0.00 C ATOM 246 O ALA A 12 4.927 -4.298 -0.907 1.00 0.00 O ATOM 247 CB ALA A 12 7.754 -2.916 -2.225 1.00 0.00 C ATOM 0 H ALA A 12 9.099 -3.452 -0.215 1.00 0.00 H new ATOM 0 HA ALA A 12 6.580 -2.445 -0.508 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.974 -2.629 -2.931 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.431 -2.076 -2.071 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.312 -3.762 -2.625 1.00 0.00 H new ATOM 253 N ARG A 13 6.672 -5.613 -1.461 1.00 0.00 N ATOM 254 CA ARG A 13 5.863 -6.805 -1.668 1.00 0.00 C ATOM 255 C ARG A 13 5.554 -7.485 -0.336 1.00 0.00 C ATOM 256 O ARG A 13 4.469 -8.027 -0.148 1.00 0.00 O ATOM 257 CB ARG A 13 6.584 -7.782 -2.603 1.00 0.00 C ATOM 258 CG ARG A 13 7.760 -8.498 -1.955 1.00 0.00 C ATOM 259 CD ARG A 13 8.835 -8.846 -2.972 1.00 0.00 C ATOM 260 NE ARG A 13 9.338 -10.205 -2.793 1.00 0.00 N ATOM 261 CZ ARG A 13 8.690 -11.295 -3.198 1.00 0.00 C ATOM 262 NH1 ARG A 13 7.514 -11.189 -3.803 1.00 0.00 N ATOM 263 NH2 ARG A 13 9.220 -12.494 -2.998 1.00 0.00 N ATOM 0 H ARG A 13 7.670 -5.752 -1.617 1.00 0.00 H new ATOM 0 HA ARG A 13 4.923 -6.504 -2.130 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.870 -8.525 -2.958 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.939 -7.238 -3.478 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.187 -7.866 -1.176 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.409 -9.409 -1.470 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.430 -8.739 -3.978 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.660 -8.139 -2.883 1.00 0.00 H new ATOM 0 HE ARG A 13 10.239 -10.326 -2.330 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.102 -10.269 -3.960 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.022 -12.027 -4.111 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.124 -12.581 -2.534 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.724 -13.329 -3.308 1.00 0.00 H new ATOM 277 N ALA A 14 6.523 -7.455 0.580 1.00 0.00 N ATOM 278 CA ALA A 14 6.362 -8.075 1.893 1.00 0.00 C ATOM 279 C ALA A 14 5.300 -7.360 2.723 1.00 0.00 C ATOM 280 O ALA A 14 4.322 -7.968 3.158 1.00 0.00 O ATOM 281 CB ALA A 14 7.694 -8.089 2.631 1.00 0.00 C ATOM 0 H ALA A 14 7.428 -7.007 0.435 1.00 0.00 H new ATOM 0 HA ALA A 14 6.027 -9.101 1.742 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.563 -8.553 3.609 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.424 -8.657 2.054 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.050 -7.067 2.759 1.00 0.00 H new ATOM 287 N PHE A 15 5.495 -6.064 2.935 1.00 0.00 N ATOM 288 CA PHE A 15 4.554 -5.263 3.702 1.00 0.00 C ATOM 289 C PHE A 15 3.155 -5.415 3.127 1.00 0.00 C ATOM 290 O PHE A 15 2.205 -5.691 3.853 1.00 0.00 O ATOM 291 CB PHE A 15 5.002 -3.785 3.740 1.00 0.00 C ATOM 292 CG PHE A 15 4.355 -2.880 2.717 1.00 0.00 C ATOM 293 CD1 PHE A 15 3.002 -2.583 2.784 1.00 0.00 C ATOM 294 CD2 PHE A 15 5.106 -2.316 1.696 1.00 0.00 C ATOM 295 CE1 PHE A 15 2.411 -1.748 1.853 1.00 0.00 C ATOM 296 CE2 PHE A 15 4.520 -1.479 0.763 1.00 0.00 C ATOM 297 CZ PHE A 15 3.172 -1.196 0.842 1.00 0.00 C ATOM 0 H PHE A 15 6.300 -5.545 2.584 1.00 0.00 H new ATOM 0 HA PHE A 15 4.534 -5.621 4.731 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.795 -3.387 4.733 1.00 0.00 H new ATOM 0 HB3 PHE A 15 6.082 -3.748 3.600 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.402 -3.010 3.574 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.162 -2.533 1.629 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.356 -1.528 1.917 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.117 -1.048 -0.027 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.713 -0.544 0.114 1.00 0.00 H new ATOM 307 N LEU A 16 3.040 -5.260 1.814 1.00 0.00 N ATOM 308 CA LEU A 16 1.753 -5.407 1.153 1.00 0.00 C ATOM 309 C LEU A 16 1.307 -6.862 1.194 1.00 0.00 C ATOM 310 O LEU A 16 0.116 -7.154 1.303 1.00 0.00 O ATOM 311 CB LEU A 16 1.826 -4.930 -0.296 1.00 0.00 C ATOM 312 CG LEU A 16 0.538 -5.134 -1.098 1.00 0.00 C ATOM 313 CD1 LEU A 16 -0.266 -3.844 -1.157 1.00 0.00 C ATOM 314 CD2 LEU A 16 0.854 -5.644 -2.498 1.00 0.00 C ATOM 0 H LEU A 16 3.816 -5.034 1.192 1.00 0.00 H new ATOM 0 HA LEU A 16 1.027 -4.791 1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.080 -3.870 -0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.638 -5.456 -0.798 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.068 -5.886 -0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.178 -4.009 -1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.526 -3.531 -0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.329 -3.066 -1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.074 -5.783 -3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.482 -4.919 -3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.381 -6.596 -2.428 1.00 0.00 H new ATOM 326 N GLU A 17 2.274 -7.775 1.115 1.00 0.00 N ATOM 327 CA GLU A 17 1.978 -9.203 1.153 1.00 0.00 C ATOM 328 C GLU A 17 1.075 -9.519 2.332 1.00 0.00 C ATOM 329 O GLU A 17 -0.034 -10.017 2.160 1.00 0.00 O ATOM 330 CB GLU A 17 3.272 -10.020 1.247 1.00 0.00 C ATOM 331 CG GLU A 17 3.635 -10.733 -0.046 1.00 0.00 C ATOM 332 CD GLU A 17 4.018 -12.183 0.174 1.00 0.00 C ATOM 333 OE1 GLU A 17 4.590 -12.490 1.241 1.00 0.00 O ATOM 334 OE2 GLU A 17 3.747 -13.012 -0.720 1.00 0.00 O ATOM 0 H GLU A 17 3.265 -7.551 1.025 1.00 0.00 H new ATOM 0 HA GLU A 17 1.464 -9.473 0.230 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.090 -9.358 1.530 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.169 -10.758 2.043 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.790 -10.685 -0.733 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.464 -10.211 -0.524 1.00 0.00 H new ATOM 341 N GLN A 18 1.560 -9.209 3.525 1.00 0.00 N ATOM 342 CA GLN A 18 0.804 -9.443 4.748 1.00 0.00 C ATOM 343 C GLN A 18 -0.434 -8.553 4.797 1.00 0.00 C ATOM 344 O GLN A 18 -1.493 -8.980 5.257 1.00 0.00 O ATOM 345 CB GLN A 18 1.682 -9.210 5.984 1.00 0.00 C ATOM 346 CG GLN A 18 2.715 -8.104 5.818 1.00 0.00 C ATOM 347 CD GLN A 18 2.762 -7.163 7.005 1.00 0.00 C ATOM 348 OE1 GLN A 18 2.806 -7.598 8.156 1.00 0.00 O ATOM 349 NE2 GLN A 18 2.755 -5.865 6.730 1.00 0.00 N ATOM 0 H GLN A 18 2.479 -8.792 3.673 1.00 0.00 H new ATOM 0 HA GLN A 18 0.479 -10.483 4.750 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.040 -8.968 6.831 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.197 -10.139 6.230 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.699 -8.550 5.675 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.489 -7.534 4.917 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.718 -5.549 5.761 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.787 -5.183 7.488 1.00 0.00 H new ATOM 358 N VAL A 19 -0.308 -7.318 4.308 1.00 0.00 N ATOM 359 CA VAL A 19 -1.441 -6.393 4.293 1.00 0.00 C ATOM 360 C VAL A 19 -2.616 -7.016 3.546 1.00 0.00 C ATOM 361 O VAL A 19 -3.637 -7.353 4.145 1.00 0.00 O ATOM 362 CB VAL A 19 -1.074 -5.045 3.636 1.00 0.00 C ATOM 363 CG1 VAL A 19 -2.292 -4.138 3.533 1.00 0.00 C ATOM 364 CG2 VAL A 19 0.032 -4.355 4.417 1.00 0.00 C ATOM 0 H VAL A 19 0.557 -6.939 3.922 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.718 -6.201 5.330 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.715 -5.250 2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.005 -3.195 3.067 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.057 -4.624 2.928 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.687 -3.944 4.530 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.278 -3.407 3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.304 -4.171 5.438 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.916 -4.992 4.435 1.00 0.00 H new ATOM 374 N PHE A 20 -2.455 -7.183 2.237 1.00 0.00 N ATOM 375 CA PHE A 20 -3.494 -7.784 1.411 1.00 0.00 C ATOM 376 C PHE A 20 -3.836 -9.196 1.900 1.00 0.00 C ATOM 377 O PHE A 20 -4.871 -9.752 1.536 1.00 0.00 O ATOM 378 CB PHE A 20 -3.037 -7.832 -0.051 1.00 0.00 C ATOM 379 CG PHE A 20 -4.144 -8.089 -1.044 1.00 0.00 C ATOM 380 CD1 PHE A 20 -5.470 -8.174 -0.640 1.00 0.00 C ATOM 381 CD2 PHE A 20 -3.851 -8.245 -2.391 1.00 0.00 C ATOM 382 CE1 PHE A 20 -6.476 -8.408 -1.558 1.00 0.00 C ATOM 383 CE2 PHE A 20 -4.854 -8.479 -3.312 1.00 0.00 C ATOM 384 CZ PHE A 20 -6.168 -8.561 -2.895 1.00 0.00 C ATOM 0 H PHE A 20 -1.615 -6.910 1.727 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.391 -7.170 1.488 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.556 -6.886 -0.299 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.282 -8.611 -0.157 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.718 -8.056 0.404 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.826 -8.183 -2.724 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.503 -8.471 -1.230 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.611 -8.598 -4.357 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.953 -8.744 -3.614 1.00 0.00 H new ATOM 394 N ARG A 21 -2.960 -9.773 2.723 1.00 0.00 N ATOM 395 CA ARG A 21 -3.176 -11.116 3.254 1.00 0.00 C ATOM 396 C ARG A 21 -4.147 -11.095 4.432 1.00 0.00 C ATOM 397 O ARG A 21 -4.969 -11.998 4.586 1.00 0.00 O ATOM 398 CB ARG A 21 -1.847 -11.730 3.698 1.00 0.00 C ATOM 399 CG ARG A 21 -1.622 -13.141 3.181 1.00 0.00 C ATOM 400 CD ARG A 21 -0.899 -13.134 1.844 1.00 0.00 C ATOM 401 NE ARG A 21 -0.649 -14.485 1.348 1.00 0.00 N ATOM 402 CZ ARG A 21 0.363 -15.248 1.753 1.00 0.00 C ATOM 403 NH1 ARG A 21 1.223 -14.798 2.659 1.00 0.00 N ATOM 404 NH2 ARG A 21 0.516 -16.466 1.252 1.00 0.00 N ATOM 0 H ARG A 21 -2.096 -9.331 3.035 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.610 -11.722 2.459 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.031 -11.093 3.357 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.808 -11.741 4.787 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.040 -13.708 3.908 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.581 -13.648 3.075 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.493 -12.584 1.114 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.048 -12.605 1.947 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.288 -14.866 0.650 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.110 -13.862 3.049 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.997 -15.388 2.965 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.142 -16.818 0.556 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.292 -17.051 1.562 1.00 0.00 H new ATOM 418 N ARG A 22 -4.042 -10.062 5.263 1.00 0.00 N ATOM 419 CA ARG A 22 -4.906 -9.930 6.429 1.00 0.00 C ATOM 420 C ARG A 22 -6.372 -9.886 6.015 1.00 0.00 C ATOM 421 O ARG A 22 -7.238 -10.439 6.692 1.00 0.00 O ATOM 422 CB ARG A 22 -4.548 -8.661 7.200 1.00 0.00 C ATOM 423 CG ARG A 22 -3.245 -8.767 7.977 1.00 0.00 C ATOM 424 CD ARG A 22 -2.967 -7.504 8.778 1.00 0.00 C ATOM 425 NE ARG A 22 -4.130 -7.076 9.552 1.00 0.00 N ATOM 426 CZ ARG A 22 -5.080 -6.267 9.085 1.00 0.00 C ATOM 427 NH1 ARG A 22 -5.014 -5.795 7.846 1.00 0.00 N ATOM 428 NH2 ARG A 22 -6.100 -5.930 9.861 1.00 0.00 N ATOM 0 H ARG A 22 -3.367 -9.305 5.150 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.754 -10.799 7.069 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.477 -7.829 6.500 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.356 -8.427 7.893 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.291 -9.623 8.650 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.422 -8.949 7.286 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.129 -7.680 9.452 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.669 -6.704 8.100 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.220 -7.418 10.509 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.232 -6.051 7.244 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.746 -5.176 7.496 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.157 -6.290 10.814 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.828 -5.311 9.506 1.00 0.00 H new ATOM 442 N LYS A 23 -6.637 -9.230 4.893 1.00 0.00 N ATOM 443 CA LYS A 23 -7.994 -9.115 4.374 1.00 0.00 C ATOM 444 C LYS A 23 -7.976 -8.597 2.935 1.00 0.00 C ATOM 445 O LYS A 23 -7.076 -8.935 2.168 1.00 0.00 O ATOM 446 CB LYS A 23 -8.840 -8.215 5.278 1.00 0.00 C ATOM 447 CG LYS A 23 -8.424 -6.755 5.251 1.00 0.00 C ATOM 448 CD LYS A 23 -9.494 -5.843 5.840 1.00 0.00 C ATOM 449 CE LYS A 23 -10.893 -6.197 5.352 1.00 0.00 C ATOM 450 NZ LYS A 23 -11.878 -5.127 5.670 1.00 0.00 N ATOM 0 H LYS A 23 -5.928 -8.768 4.323 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.450 -10.105 4.367 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.885 -8.291 4.976 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.777 -8.582 6.302 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.496 -6.632 5.810 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.219 -6.456 4.223 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.464 -5.908 6.928 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.271 -4.809 5.577 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.871 -6.362 4.275 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.212 -7.133 5.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.798 -5.366 5.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.981 -5.045 6.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.544 -4.222 5.282 1.00 0.00 H new ATOM 464 N GLN A 24 -8.971 -7.795 2.555 1.00 0.00 N ATOM 465 CA GLN A 24 -9.033 -7.276 1.193 1.00 0.00 C ATOM 466 C GLN A 24 -9.499 -5.829 1.163 1.00 0.00 C ATOM 467 O GLN A 24 -8.890 -4.982 0.511 1.00 0.00 O ATOM 468 CB GLN A 24 -9.981 -8.122 0.329 1.00 0.00 C ATOM 469 CG GLN A 24 -10.198 -9.543 0.831 1.00 0.00 C ATOM 470 CD GLN A 24 -10.135 -10.571 -0.282 1.00 0.00 C ATOM 471 OE1 GLN A 24 -10.716 -10.381 -1.351 1.00 0.00 O ATOM 472 NE2 GLN A 24 -9.428 -11.668 -0.037 1.00 0.00 N ATOM 0 H GLN A 24 -9.734 -7.495 3.163 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.022 -7.328 0.789 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.946 -7.619 0.273 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.585 -8.166 -0.686 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.443 -9.779 1.581 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.168 -9.606 1.324 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.963 -11.784 0.863 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.350 -12.394 -0.749 1.00 0.00 H new ATOM 481 N SER A 25 -10.602 -5.561 1.842 1.00 0.00 N ATOM 482 CA SER A 25 -11.177 -4.220 1.861 1.00 0.00 C ATOM 483 C SER A 25 -10.702 -3.391 3.052 1.00 0.00 C ATOM 484 O SER A 25 -11.434 -3.214 4.026 1.00 0.00 O ATOM 485 CB SER A 25 -12.703 -4.312 1.871 1.00 0.00 C ATOM 486 OG SER A 25 -13.293 -3.039 1.671 1.00 0.00 O ATOM 0 H SER A 25 -11.119 -6.251 2.387 1.00 0.00 H new ATOM 0 HA SER A 25 -10.835 -3.712 0.959 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.034 -4.996 1.090 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.039 -4.727 2.821 1.00 0.00 H new ATOM 0 HG SER A 25 -14.269 -3.126 1.680 1.00 0.00 H new ATOM 492 N LEU A 26 -9.487 -2.855 2.958 1.00 0.00 N ATOM 493 CA LEU A 26 -8.949 -2.015 4.024 1.00 0.00 C ATOM 494 C LEU A 26 -9.664 -0.665 4.025 1.00 0.00 C ATOM 495 O LEU A 26 -9.703 0.022 3.004 1.00 0.00 O ATOM 496 CB LEU A 26 -7.437 -1.801 3.849 1.00 0.00 C ATOM 497 CG LEU A 26 -6.597 -3.066 3.625 1.00 0.00 C ATOM 498 CD1 LEU A 26 -5.152 -2.835 4.053 1.00 0.00 C ATOM 499 CD2 LEU A 26 -7.186 -4.249 4.375 1.00 0.00 C ATOM 0 H LEU A 26 -8.862 -2.986 2.163 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.115 -2.520 4.976 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.281 -1.131 3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.058 -1.290 4.734 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.612 -3.294 2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.573 -3.744 3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.725 -2.020 3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.123 -2.576 5.111 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.573 -5.133 4.200 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.209 -4.029 5.442 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.200 -4.435 4.022 1.00 0.00 H new ATOM 511 N ASN A 27 -10.236 -0.289 5.166 1.00 0.00 N ATOM 512 CA ASN A 27 -10.952 0.983 5.269 1.00 0.00 C ATOM 513 C ASN A 27 -10.069 2.063 5.885 1.00 0.00 C ATOM 514 O ASN A 27 -8.932 1.801 6.270 1.00 0.00 O ATOM 515 CB ASN A 27 -12.247 0.829 6.082 1.00 0.00 C ATOM 516 CG ASN A 27 -12.196 -0.312 7.080 1.00 0.00 C ATOM 517 OD1 ASN A 27 -12.791 -1.369 6.865 1.00 0.00 O ATOM 518 ND2 ASN A 27 -11.486 -0.102 8.179 1.00 0.00 N ATOM 0 H ASN A 27 -10.219 -0.839 6.025 1.00 0.00 H new ATOM 0 HA ASN A 27 -11.217 1.290 4.257 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -12.447 1.759 6.614 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.080 0.668 5.398 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.416 -0.832 8.888 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.009 0.789 8.316 1.00 0.00 H new ATOM 525 N SER A 28 -10.600 3.280 5.967 1.00 0.00 N ATOM 526 CA SER A 28 -9.863 4.415 6.526 1.00 0.00 C ATOM 527 C SER A 28 -9.140 4.037 7.817 1.00 0.00 C ATOM 528 O SER A 28 -8.080 4.580 8.130 1.00 0.00 O ATOM 529 CB SER A 28 -10.815 5.583 6.790 1.00 0.00 C ATOM 530 OG SER A 28 -10.206 6.559 7.617 1.00 0.00 O ATOM 0 H SER A 28 -11.543 3.508 5.652 1.00 0.00 H new ATOM 0 HA SER A 28 -9.112 4.713 5.794 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.111 6.036 5.844 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.724 5.215 7.265 1.00 0.00 H new ATOM 0 HG SER A 28 -10.834 7.296 7.770 1.00 0.00 H new ATOM 536 N LYS A 29 -9.717 3.105 8.564 1.00 0.00 N ATOM 537 CA LYS A 29 -9.125 2.660 9.815 1.00 0.00 C ATOM 538 C LYS A 29 -7.985 1.685 9.557 1.00 0.00 C ATOM 539 O LYS A 29 -6.901 1.818 10.120 1.00 0.00 O ATOM 540 CB LYS A 29 -10.188 1.998 10.687 1.00 0.00 C ATOM 541 CG LYS A 29 -11.185 2.975 11.294 1.00 0.00 C ATOM 542 CD LYS A 29 -10.489 4.139 11.982 1.00 0.00 C ATOM 543 CE LYS A 29 -10.630 5.424 11.181 1.00 0.00 C ATOM 544 NZ LYS A 29 -10.005 6.584 11.875 1.00 0.00 N ATOM 0 H LYS A 29 -10.594 2.644 8.324 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.723 3.530 10.334 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.730 1.266 10.089 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.695 1.451 11.491 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.843 3.356 10.512 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.815 2.452 12.013 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.912 4.281 12.977 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.433 3.906 12.115 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.167 5.294 10.203 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.686 5.630 11.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.972 7.398 11.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.568 6.831 12.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.039 6.334 12.167 1.00 0.00 H new ATOM 558 N GLU A 30 -8.236 0.713 8.691 1.00 0.00 N ATOM 559 CA GLU A 30 -7.233 -0.278 8.345 1.00 0.00 C ATOM 560 C GLU A 30 -6.145 0.363 7.511 1.00 0.00 C ATOM 561 O GLU A 30 -4.974 0.062 7.668 1.00 0.00 O ATOM 562 CB GLU A 30 -7.863 -1.436 7.573 1.00 0.00 C ATOM 563 CG GLU A 30 -8.921 -2.189 8.364 1.00 0.00 C ATOM 564 CD GLU A 30 -8.855 -3.689 8.155 1.00 0.00 C ATOM 565 OE1 GLU A 30 -7.805 -4.179 7.688 1.00 0.00 O ATOM 566 OE2 GLU A 30 -9.853 -4.375 8.460 1.00 0.00 O ATOM 0 H GLU A 30 -9.130 0.592 8.215 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.801 -0.670 9.266 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.311 -1.050 6.657 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.079 -2.133 7.275 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.800 -1.969 9.425 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.909 -1.830 8.075 1.00 0.00 H new ATOM 573 N LYS A 31 -6.540 1.262 6.629 1.00 0.00 N ATOM 574 CA LYS A 31 -5.589 1.952 5.782 1.00 0.00 C ATOM 575 C LYS A 31 -4.593 2.727 6.637 1.00 0.00 C ATOM 576 O LYS A 31 -3.422 2.837 6.296 1.00 0.00 O ATOM 577 CB LYS A 31 -6.331 2.881 4.821 1.00 0.00 C ATOM 578 CG LYS A 31 -6.507 4.296 5.342 1.00 0.00 C ATOM 579 CD LYS A 31 -7.158 5.192 4.305 1.00 0.00 C ATOM 580 CE LYS A 31 -7.542 6.541 4.893 1.00 0.00 C ATOM 581 NZ LYS A 31 -7.271 7.660 3.946 1.00 0.00 N ATOM 0 H LYS A 31 -7.513 1.531 6.481 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.032 1.223 5.193 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.789 2.918 3.876 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.313 2.458 4.609 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.117 4.279 6.245 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.536 4.706 5.621 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.473 5.340 3.470 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.046 4.702 3.906 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.600 6.535 5.154 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.987 6.705 5.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.547 8.561 4.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.257 7.683 3.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.820 7.518 3.074 1.00 0.00 H new ATOM 595 N GLU A 32 -5.074 3.255 7.756 1.00 0.00 N ATOM 596 CA GLU A 32 -4.226 4.014 8.666 1.00 0.00 C ATOM 597 C GLU A 32 -3.589 3.090 9.701 1.00 0.00 C ATOM 598 O GLU A 32 -2.433 3.268 10.085 1.00 0.00 O ATOM 599 CB GLU A 32 -5.044 5.110 9.356 1.00 0.00 C ATOM 600 CG GLU A 32 -5.978 4.599 10.445 1.00 0.00 C ATOM 601 CD GLU A 32 -6.563 5.719 11.281 1.00 0.00 C ATOM 602 OE1 GLU A 32 -6.596 6.869 10.794 1.00 0.00 O ATOM 603 OE2 GLU A 32 -6.987 5.448 12.424 1.00 0.00 O ATOM 0 H GLU A 32 -6.046 3.172 8.055 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.428 4.483 8.090 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.360 5.838 9.792 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.633 5.636 8.605 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.788 4.031 9.987 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.434 3.912 11.093 1.00 0.00 H new ATOM 610 N GLU A 33 -4.357 2.100 10.142 1.00 0.00 N ATOM 611 CA GLU A 33 -3.889 1.136 11.126 1.00 0.00 C ATOM 612 C GLU A 33 -2.890 0.171 10.497 1.00 0.00 C ATOM 613 O GLU A 33 -1.925 -0.251 11.134 1.00 0.00 O ATOM 614 CB GLU A 33 -5.079 0.359 11.687 1.00 0.00 C ATOM 615 CG GLU A 33 -5.993 1.198 12.564 1.00 0.00 C ATOM 616 CD GLU A 33 -5.706 1.024 14.042 1.00 0.00 C ATOM 617 OE1 GLU A 33 -6.271 0.090 14.650 1.00 0.00 O ATOM 618 OE2 GLU A 33 -4.917 1.820 14.592 1.00 0.00 O ATOM 0 H GLU A 33 -5.315 1.945 9.829 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.391 1.672 11.934 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.658 -0.050 10.859 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.710 -0.487 12.266 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.881 2.249 12.298 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.030 0.927 12.365 1.00 0.00 H new ATOM 625 N VAL A 34 -3.136 -0.162 9.238 1.00 0.00 N ATOM 626 CA VAL A 34 -2.278 -1.070 8.487 1.00 0.00 C ATOM 627 C VAL A 34 -1.043 -0.334 7.985 1.00 0.00 C ATOM 628 O VAL A 34 0.058 -0.884 7.975 1.00 0.00 O ATOM 629 CB VAL A 34 -3.045 -1.693 7.294 1.00 0.00 C ATOM 630 CG1 VAL A 34 -2.134 -2.540 6.417 1.00 0.00 C ATOM 631 CG2 VAL A 34 -4.215 -2.525 7.799 1.00 0.00 C ATOM 0 H VAL A 34 -3.934 0.188 8.708 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.967 -1.874 9.154 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.424 -0.875 6.681 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.710 -2.959 5.592 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.331 -1.919 6.020 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.708 -3.349 7.010 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.746 -2.958 6.951 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.843 -3.324 8.440 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.895 -1.890 8.367 1.00 0.00 H new ATOM 641 N ALA A 35 -1.233 0.914 7.573 1.00 0.00 N ATOM 642 CA ALA A 35 -0.128 1.723 7.075 1.00 0.00 C ATOM 643 C ALA A 35 0.902 1.995 8.169 1.00 0.00 C ATOM 644 O ALA A 35 2.093 2.130 7.894 1.00 0.00 O ATOM 645 CB ALA A 35 -0.642 3.032 6.505 1.00 0.00 C ATOM 0 H ALA A 35 -2.137 1.386 7.574 1.00 0.00 H new ATOM 0 HA ALA A 35 0.363 1.159 6.282 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.197 3.623 6.138 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.328 2.827 5.683 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.164 3.588 7.284 1.00 0.00 H new ATOM 651 N LYS A 36 0.433 2.090 9.407 1.00 0.00 N ATOM 652 CA LYS A 36 1.312 2.365 10.539 1.00 0.00 C ATOM 653 C LYS A 36 1.902 1.088 11.136 1.00 0.00 C ATOM 654 O LYS A 36 2.906 1.138 11.847 1.00 0.00 O ATOM 655 CB LYS A 36 0.549 3.135 11.616 1.00 0.00 C ATOM 656 CG LYS A 36 -0.545 2.320 12.288 1.00 0.00 C ATOM 657 CD LYS A 36 -1.290 3.136 13.334 1.00 0.00 C ATOM 658 CE LYS A 36 -1.210 2.489 14.708 1.00 0.00 C ATOM 659 NZ LYS A 36 -2.106 1.304 14.818 1.00 0.00 N ATOM 0 H LYS A 36 -0.551 1.981 9.654 1.00 0.00 H new ATOM 0 HA LYS A 36 2.141 2.968 10.168 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.253 3.477 12.374 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.105 4.025 11.169 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.248 1.964 11.535 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.107 1.439 12.757 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.871 4.141 13.379 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.334 3.239 13.040 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.182 2.186 14.907 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.480 3.220 15.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.972 0.852 15.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.096 1.607 14.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.876 0.624 14.065 1.00 0.00 H new ATOM 673 N LYS A 37 1.275 -0.052 10.862 1.00 0.00 N ATOM 674 CA LYS A 37 1.752 -1.324 11.397 1.00 0.00 C ATOM 675 C LYS A 37 2.490 -2.137 10.337 1.00 0.00 C ATOM 676 O LYS A 37 3.343 -2.964 10.661 1.00 0.00 O ATOM 677 CB LYS A 37 0.582 -2.136 11.963 1.00 0.00 C ATOM 678 CG LYS A 37 -0.325 -2.738 10.899 1.00 0.00 C ATOM 679 CD LYS A 37 -0.389 -4.254 11.010 1.00 0.00 C ATOM 680 CE LYS A 37 -1.649 -4.706 11.729 1.00 0.00 C ATOM 681 NZ LYS A 37 -1.767 -4.095 13.082 1.00 0.00 N ATOM 0 H LYS A 37 0.442 -0.122 10.277 1.00 0.00 H new ATOM 0 HA LYS A 37 2.456 -1.102 12.199 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.978 -2.939 12.585 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.013 -1.493 12.612 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.328 -2.323 10.998 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.039 -2.460 9.910 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.359 -4.695 10.013 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.488 -4.618 11.546 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.522 -4.440 11.133 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.645 -5.792 11.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.541 -4.553 13.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.875 -4.226 13.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.967 -3.079 12.988 1.00 0.00 H new ATOM 695 N CYS A 38 2.154 -1.906 9.074 1.00 0.00 N ATOM 696 CA CYS A 38 2.785 -2.629 7.977 1.00 0.00 C ATOM 697 C CYS A 38 3.914 -1.815 7.354 1.00 0.00 C ATOM 698 O CYS A 38 4.874 -2.377 6.827 1.00 0.00 O ATOM 699 CB CYS A 38 1.745 -2.991 6.917 1.00 0.00 C ATOM 700 SG CYS A 38 0.401 -4.028 7.541 1.00 0.00 S ATOM 0 H CYS A 38 1.451 -1.226 8.785 1.00 0.00 H new ATOM 0 HA CYS A 38 3.216 -3.545 8.381 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.323 -2.074 6.506 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.241 -3.509 6.096 1.00 0.00 H new ATOM 0 HG CYS A 38 0.892 -4.969 8.292 1.00 0.00 H new ATOM 706 N GLY A 39 3.802 -0.493 7.426 1.00 0.00 N ATOM 707 CA GLY A 39 4.837 0.362 6.870 1.00 0.00 C ATOM 708 C GLY A 39 4.357 1.208 5.707 1.00 0.00 C ATOM 709 O GLY A 39 5.160 1.653 4.888 1.00 0.00 O ATOM 0 H GLY A 39 3.019 0.000 7.856 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.217 1.017 7.654 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.671 -0.257 6.540 1.00 0.00 H new ATOM 713 N ILE A 40 3.053 1.447 5.641 1.00 0.00 N ATOM 714 CA ILE A 40 2.487 2.264 4.577 1.00 0.00 C ATOM 715 C ILE A 40 2.005 3.597 5.148 1.00 0.00 C ATOM 716 O ILE A 40 2.380 3.972 6.259 1.00 0.00 O ATOM 717 CB ILE A 40 1.315 1.556 3.850 1.00 0.00 C ATOM 718 CG1 ILE A 40 1.188 0.092 4.274 1.00 0.00 C ATOM 719 CG2 ILE A 40 1.501 1.634 2.342 1.00 0.00 C ATOM 720 CD1 ILE A 40 -0.090 -0.553 3.786 1.00 0.00 C ATOM 0 H ILE A 40 2.371 1.088 6.309 1.00 0.00 H new ATOM 0 HA ILE A 40 3.275 2.432 3.843 1.00 0.00 H new ATOM 0 HB ILE A 40 0.398 2.074 4.132 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.041 -0.468 3.890 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.229 0.029 5.361 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.670 1.132 1.846 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.531 2.679 2.033 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.436 1.147 2.065 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.124 -1.591 4.118 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.947 -0.015 4.191 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.122 -0.519 2.697 1.00 0.00 H new ATOM 732 N THR A 41 1.179 4.312 4.394 1.00 0.00 N ATOM 733 CA THR A 41 0.661 5.599 4.847 1.00 0.00 C ATOM 734 C THR A 41 -0.732 5.855 4.275 1.00 0.00 C ATOM 735 O THR A 41 -1.075 5.344 3.210 1.00 0.00 O ATOM 736 CB THR A 41 1.618 6.728 4.444 1.00 0.00 C ATOM 737 OG1 THR A 41 2.746 6.212 3.761 1.00 0.00 O ATOM 738 CG2 THR A 41 2.129 7.530 5.622 1.00 0.00 C ATOM 0 H THR A 41 0.854 4.025 3.471 1.00 0.00 H new ATOM 0 HA THR A 41 0.584 5.574 5.934 1.00 0.00 H new ATOM 0 HB THR A 41 1.031 7.384 3.802 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.343 6.948 3.512 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.800 8.312 5.266 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.288 7.985 6.145 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.667 6.872 6.304 1.00 0.00 H new ATOM 746 N PRO A 42 -1.559 6.654 4.976 1.00 0.00 N ATOM 747 CA PRO A 42 -2.918 6.976 4.532 1.00 0.00 C ATOM 748 C PRO A 42 -2.963 7.390 3.065 1.00 0.00 C ATOM 749 O PRO A 42 -3.978 7.219 2.392 1.00 0.00 O ATOM 750 CB PRO A 42 -3.338 8.147 5.438 1.00 0.00 C ATOM 751 CG PRO A 42 -2.114 8.530 6.208 1.00 0.00 C ATOM 752 CD PRO A 42 -1.244 7.309 6.250 1.00 0.00 C ATOM 0 HA PRO A 42 -3.581 6.114 4.607 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.706 8.986 4.847 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.145 7.852 6.109 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.596 9.360 5.727 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.374 8.857 7.215 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.187 7.566 6.325 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.478 6.672 7.103 1.00 0.00 H new ATOM 760 N LEU A 43 -1.852 7.931 2.575 1.00 0.00 N ATOM 761 CA LEU A 43 -1.756 8.364 1.186 1.00 0.00 C ATOM 762 C LEU A 43 -1.394 7.190 0.282 1.00 0.00 C ATOM 763 O LEU A 43 -1.786 7.141 -0.886 1.00 0.00 O ATOM 764 CB LEU A 43 -0.715 9.482 1.056 1.00 0.00 C ATOM 765 CG LEU A 43 0.716 9.025 0.757 1.00 0.00 C ATOM 766 CD1 LEU A 43 0.954 8.961 -0.744 1.00 0.00 C ATOM 767 CD2 LEU A 43 1.722 9.956 1.417 1.00 0.00 C ATOM 0 H LEU A 43 -1.004 8.080 3.121 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.726 8.749 0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.033 10.160 0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.707 10.056 1.983 1.00 0.00 H new ATOM 0 HG LEU A 43 0.850 8.025 1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.976 8.634 -0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.256 8.254 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.800 9.949 -1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.733 9.616 1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.587 10.968 1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.568 9.952 2.496 1.00 0.00 H new ATOM 779 N GLN A 44 -0.651 6.239 0.836 1.00 0.00 N ATOM 780 CA GLN A 44 -0.247 5.061 0.088 1.00 0.00 C ATOM 781 C GLN A 44 -1.374 4.046 0.081 1.00 0.00 C ATOM 782 O GLN A 44 -1.856 3.646 -0.968 1.00 0.00 O ATOM 783 CB GLN A 44 1.013 4.436 0.691 1.00 0.00 C ATOM 784 CG GLN A 44 2.003 5.452 1.233 1.00 0.00 C ATOM 785 CD GLN A 44 2.567 6.352 0.152 1.00 0.00 C ATOM 786 OE1 GLN A 44 2.522 6.023 -1.033 1.00 0.00 O ATOM 787 NE2 GLN A 44 3.104 7.497 0.558 1.00 0.00 N ATOM 0 H GLN A 44 -0.318 6.263 1.800 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.023 5.363 -0.935 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.723 3.761 1.496 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.507 3.832 -0.070 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.512 6.064 1.990 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.821 4.928 1.728 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.120 7.729 1.551 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.501 8.144 -0.123 1.00 0.00 H new ATOM 796 N VAL A 45 -1.798 3.647 1.269 1.00 0.00 N ATOM 797 CA VAL A 45 -2.879 2.677 1.428 1.00 0.00 C ATOM 798 C VAL A 45 -3.974 2.847 0.376 1.00 0.00 C ATOM 799 O VAL A 45 -4.591 1.876 -0.047 1.00 0.00 O ATOM 800 CB VAL A 45 -3.504 2.799 2.818 1.00 0.00 C ATOM 801 CG1 VAL A 45 -2.501 2.375 3.871 1.00 0.00 C ATOM 802 CG2 VAL A 45 -3.972 4.223 3.066 1.00 0.00 C ATOM 0 H VAL A 45 -1.407 3.982 2.149 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.434 1.690 1.299 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.372 2.142 2.876 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.952 2.464 4.859 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.207 1.340 3.698 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.621 3.016 3.814 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.414 4.293 4.060 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.122 4.902 2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.716 4.497 2.318 1.00 0.00 H new ATOM 812 N ARG A 46 -4.210 4.078 -0.050 1.00 0.00 N ATOM 813 CA ARG A 46 -5.227 4.342 -1.055 1.00 0.00 C ATOM 814 C ARG A 46 -4.676 4.110 -2.462 1.00 0.00 C ATOM 815 O ARG A 46 -5.221 3.314 -3.222 1.00 0.00 O ATOM 816 CB ARG A 46 -5.764 5.768 -0.919 1.00 0.00 C ATOM 817 CG ARG A 46 -4.696 6.811 -0.630 1.00 0.00 C ATOM 818 CD ARG A 46 -4.759 7.969 -1.614 1.00 0.00 C ATOM 819 NE ARG A 46 -6.130 8.425 -1.837 1.00 0.00 N ATOM 820 CZ ARG A 46 -6.840 9.105 -0.939 1.00 0.00 C ATOM 821 NH1 ARG A 46 -6.313 9.412 0.240 1.00 0.00 N ATOM 822 NH2 ARG A 46 -8.080 9.481 -1.221 1.00 0.00 N ATOM 0 H ARG A 46 -3.714 4.905 0.282 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.050 3.647 -0.892 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.281 6.039 -1.840 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.504 5.791 -0.119 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.821 7.189 0.385 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.711 6.346 -0.678 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.158 8.797 -1.238 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.320 7.662 -2.563 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.568 8.210 -2.733 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.359 9.127 0.462 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.862 9.933 0.924 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.490 9.249 -2.126 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.624 10.002 -0.533 1.00 0.00 H new ATOM 836 N VAL A 47 -3.591 4.800 -2.802 1.00 0.00 N ATOM 837 CA VAL A 47 -2.973 4.655 -4.120 1.00 0.00 C ATOM 838 C VAL A 47 -2.311 3.289 -4.271 1.00 0.00 C ATOM 839 O VAL A 47 -2.415 2.638 -5.310 1.00 0.00 O ATOM 840 CB VAL A 47 -1.908 5.741 -4.349 1.00 0.00 C ATOM 841 CG1 VAL A 47 -2.526 7.126 -4.231 1.00 0.00 C ATOM 842 CG2 VAL A 47 -0.764 5.569 -3.358 1.00 0.00 C ATOM 0 H VAL A 47 -3.121 5.464 -2.186 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.769 4.757 -4.858 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.508 5.636 -5.358 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.758 7.882 -4.396 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.312 7.238 -4.977 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.951 7.251 -3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.015 6.343 -3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.148 5.653 -2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.309 4.588 -3.494 1.00 0.00 H new ATOM 852 N TRP A 48 -1.621 2.877 -3.220 1.00 0.00 N ATOM 853 CA TRP A 48 -0.919 1.608 -3.193 1.00 0.00 C ATOM 854 C TRP A 48 -1.900 0.441 -3.317 1.00 0.00 C ATOM 855 O TRP A 48 -1.776 -0.383 -4.223 1.00 0.00 O ATOM 856 CB TRP A 48 -0.095 1.511 -1.905 1.00 0.00 C ATOM 857 CG TRP A 48 1.360 1.249 -2.149 1.00 0.00 C ATOM 858 CD1 TRP A 48 2.337 2.185 -2.330 1.00 0.00 C ATOM 859 CD2 TRP A 48 2.004 -0.027 -2.241 1.00 0.00 C ATOM 860 NE1 TRP A 48 3.549 1.571 -2.528 1.00 0.00 N ATOM 861 CE2 TRP A 48 3.372 0.213 -2.478 1.00 0.00 C ATOM 862 CE3 TRP A 48 1.560 -1.348 -2.146 1.00 0.00 C ATOM 863 CZ2 TRP A 48 4.296 -0.818 -2.620 1.00 0.00 C ATOM 864 CZ3 TRP A 48 2.480 -2.370 -2.288 1.00 0.00 C ATOM 865 CH2 TRP A 48 3.833 -2.100 -2.523 1.00 0.00 C ATOM 0 H TRP A 48 -1.533 3.417 -2.359 1.00 0.00 H new ATOM 0 HA TRP A 48 -0.243 1.552 -4.046 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.200 2.440 -1.344 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.501 0.714 -1.282 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.179 3.253 -2.319 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.437 2.048 -2.686 1.00 0.00 H new ATOM 0 HE3 TRP A 48 0.518 -1.567 -1.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.341 -0.612 -2.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.149 -3.395 -2.216 1.00 0.00 H new ATOM 0 HH2 TRP A 48 4.525 -2.922 -2.630 1.00 0.00 H new ATOM 876 N PHE A 49 -2.886 0.381 -2.421 1.00 0.00 N ATOM 877 CA PHE A 49 -3.885 -0.681 -2.468 1.00 0.00 C ATOM 878 C PHE A 49 -4.710 -0.586 -3.750 1.00 0.00 C ATOM 879 O PHE A 49 -5.357 -1.547 -4.150 1.00 0.00 O ATOM 880 CB PHE A 49 -4.823 -0.614 -1.258 1.00 0.00 C ATOM 881 CG PHE A 49 -4.147 -0.786 0.078 1.00 0.00 C ATOM 882 CD1 PHE A 49 -2.879 -1.341 0.178 1.00 0.00 C ATOM 883 CD2 PHE A 49 -4.792 -0.391 1.239 1.00 0.00 C ATOM 884 CE1 PHE A 49 -2.272 -1.496 1.411 1.00 0.00 C ATOM 885 CE2 PHE A 49 -4.190 -0.543 2.471 1.00 0.00 C ATOM 886 CZ PHE A 49 -2.930 -1.095 2.559 1.00 0.00 C ATOM 0 H PHE A 49 -3.012 1.050 -1.661 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.352 -1.632 -2.448 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.337 0.347 -1.268 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.586 -1.385 -1.365 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.361 -1.655 -0.716 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.780 0.042 1.179 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.285 -1.930 1.477 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.706 -0.229 3.366 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.458 -1.214 3.523 1.00 0.00 H new ATOM 896 N ILE A 50 -4.693 0.579 -4.392 1.00 0.00 N ATOM 897 CA ILE A 50 -5.449 0.765 -5.625 1.00 0.00 C ATOM 898 C ILE A 50 -4.903 -0.144 -6.727 1.00 0.00 C ATOM 899 O ILE A 50 -5.639 -0.935 -7.316 1.00 0.00 O ATOM 900 CB ILE A 50 -5.429 2.246 -6.086 1.00 0.00 C ATOM 901 CG1 ILE A 50 -6.659 2.981 -5.542 1.00 0.00 C ATOM 902 CG2 ILE A 50 -5.371 2.360 -7.606 1.00 0.00 C ATOM 903 CD1 ILE A 50 -7.955 2.576 -6.212 1.00 0.00 C ATOM 0 H ILE A 50 -4.171 1.399 -4.083 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.485 0.493 -5.424 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.527 2.710 -5.687 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.740 2.793 -4.471 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.515 4.054 -5.668 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.358 3.412 -7.892 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.467 1.873 -7.973 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.246 1.876 -8.041 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.781 3.137 -5.775 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.895 2.790 -7.279 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.123 1.509 -6.064 1.00 0.00 H new ATOM 915 N ASN A 51 -3.607 -0.028 -6.995 1.00 0.00 N ATOM 916 CA ASN A 51 -2.962 -0.840 -8.022 1.00 0.00 C ATOM 917 C ASN A 51 -2.702 -2.255 -7.514 1.00 0.00 C ATOM 918 O ASN A 51 -2.783 -3.222 -8.271 1.00 0.00 O ATOM 919 CB ASN A 51 -1.648 -0.194 -8.463 1.00 0.00 C ATOM 920 CG ASN A 51 -1.858 0.901 -9.491 1.00 0.00 C ATOM 921 OD1 ASN A 51 -1.816 0.653 -10.696 1.00 0.00 O ATOM 922 ND2 ASN A 51 -2.086 2.121 -9.018 1.00 0.00 N ATOM 0 H ASN A 51 -2.982 0.620 -6.516 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.634 -0.899 -8.878 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.140 0.221 -7.592 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.992 -0.959 -8.880 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.235 2.898 -9.662 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.112 2.281 -8.011 1.00 0.00 H new ATOM 929 N LYS A 52 -2.389 -2.369 -6.227 1.00 0.00 N ATOM 930 CA LYS A 52 -2.118 -3.667 -5.617 1.00 0.00 C ATOM 931 C LYS A 52 -3.414 -4.385 -5.253 1.00 0.00 C ATOM 932 O LYS A 52 -3.427 -5.601 -5.064 1.00 0.00 O ATOM 933 CB LYS A 52 -1.246 -3.495 -4.369 1.00 0.00 C ATOM 934 CG LYS A 52 0.247 -3.463 -4.667 1.00 0.00 C ATOM 935 CD LYS A 52 0.683 -4.660 -5.499 1.00 0.00 C ATOM 936 CE LYS A 52 2.190 -4.851 -5.454 1.00 0.00 C ATOM 937 NZ LYS A 52 2.569 -6.290 -5.514 1.00 0.00 N ATOM 0 H LYS A 52 -2.317 -1.579 -5.586 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.583 -4.276 -6.346 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.527 -2.571 -3.864 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.452 -4.311 -3.677 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.492 -2.543 -5.198 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.804 -3.449 -3.730 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.190 -5.560 -5.130 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.363 -4.522 -6.532 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.648 -4.320 -6.288 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.585 -4.409 -4.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.605 -6.378 -5.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.153 -6.793 -4.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.214 -6.706 -6.399 1.00 0.00 H new ATOM 951 N ARG A 53 -4.501 -3.627 -5.151 1.00 0.00 N ATOM 952 CA ARG A 53 -5.796 -4.197 -4.805 1.00 0.00 C ATOM 953 C ARG A 53 -6.938 -3.483 -5.523 1.00 0.00 C ATOM 954 O ARG A 53 -7.965 -3.188 -4.913 1.00 0.00 O ATOM 955 CB ARG A 53 -6.033 -4.127 -3.297 1.00 0.00 C ATOM 956 CG ARG A 53 -7.256 -4.917 -2.857 1.00 0.00 C ATOM 957 CD ARG A 53 -8.240 -4.048 -2.089 1.00 0.00 C ATOM 958 NE ARG A 53 -7.601 -3.341 -0.982 1.00 0.00 N ATOM 959 CZ ARG A 53 -8.142 -2.295 -0.360 1.00 0.00 C ATOM 960 NH1 ARG A 53 -9.327 -1.830 -0.737 1.00 0.00 N ATOM 961 NH2 ARG A 53 -7.497 -1.714 0.641 1.00 0.00 N ATOM 0 H ARG A 53 -4.510 -2.618 -5.303 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.780 -5.239 -5.126 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.154 -4.507 -2.777 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.153 -3.085 -3.000 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.750 -5.340 -3.732 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.944 -5.753 -2.231 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.691 -3.325 -2.768 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.048 -4.670 -1.703 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.687 -3.667 -0.667 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.828 -2.274 -1.507 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.737 -1.029 -0.257 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.587 -2.068 0.935 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.911 -0.913 1.118 1.00 0.00 H new ATOM 975 N MET A 54 -6.764 -3.211 -6.813 1.00 0.00 N ATOM 976 CA MET A 54 -7.803 -2.541 -7.591 1.00 0.00 C ATOM 977 C MET A 54 -9.068 -3.398 -7.644 1.00 0.00 C ATOM 978 O MET A 54 -9.429 -3.931 -8.693 1.00 0.00 O ATOM 979 CB MET A 54 -7.304 -2.247 -9.009 1.00 0.00 C ATOM 980 CG MET A 54 -7.716 -0.878 -9.525 1.00 0.00 C ATOM 981 SD MET A 54 -7.969 -0.854 -11.310 1.00 0.00 S ATOM 982 CE MET A 54 -7.746 0.889 -11.658 1.00 0.00 C ATOM 0 H MET A 54 -5.921 -3.442 -7.339 1.00 0.00 H new ATOM 0 HA MET A 54 -8.042 -1.596 -7.103 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.217 -2.321 -9.026 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.686 -3.012 -9.686 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.635 -0.568 -9.028 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.950 -0.149 -9.261 1.00 0.00 H new ATOM 0 HE1 MET A 54 -7.872 1.066 -12.726 1.00 0.00 H new ATOM 0 HE2 MET A 54 -8.485 1.468 -11.105 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.745 1.195 -11.355 1.00 0.00 H new