USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=8 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 18 GLN : amide:sc= -1.63 K(o=-12,f=-6.7) USER MOD Set 1.2: A 38 CYS SG : rot -130:sc= -10.1! USER MOD Set 2.1: A 9 SER OG : rot 8:sc= 0.858 USER MOD Set 2.2: A 11 GLN : amide:sc= -0.485 X(o=0.37,f=0.66) USER MOD Single : A 23 LYS NZ :NH3+ -124:sc= -0.999! (180deg=-2.08!) USER MOD Single : A 24 GLN : amide:sc= -3.79 K(o=-3.8,f=-2.2!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -2.24 K(o=-2.2,f=-0.9) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -146:sc= -0.049 (180deg=-0.811) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.73 USER MOD Single : A 44 GLN : amide:sc= -0.387 X(o=-0.39,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 176:sc= 0 (180deg=-0.0128) USER MOD ----------------------------------------------------------------- ATOM 201 N SER A 9 12.474 -1.010 0.563 1.00 0.00 N ATOM 202 CA SER A 9 13.138 -2.310 0.591 1.00 0.00 C ATOM 203 C SER A 9 12.177 -3.403 0.116 1.00 0.00 C ATOM 204 O SER A 9 11.051 -3.101 -0.280 1.00 0.00 O ATOM 205 CB SER A 9 13.626 -2.599 2.015 1.00 0.00 C ATOM 206 OG SER A 9 13.420 -1.482 2.864 1.00 0.00 O ATOM 0 HA SER A 9 13.995 -2.296 -0.082 1.00 0.00 H new ATOM 0 HB2 SER A 9 13.098 -3.465 2.414 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.686 -2.853 1.995 1.00 0.00 H new ATOM 0 HG SER A 9 12.888 -0.807 2.393 1.00 0.00 H new ATOM 212 N PRO A 10 12.578 -4.692 0.156 1.00 0.00 N ATOM 213 CA PRO A 10 11.701 -5.790 -0.264 1.00 0.00 C ATOM 214 C PRO A 10 10.343 -5.694 0.419 1.00 0.00 C ATOM 215 O PRO A 10 9.339 -6.195 -0.085 1.00 0.00 O ATOM 216 CB PRO A 10 12.448 -7.055 0.183 1.00 0.00 C ATOM 217 CG PRO A 10 13.515 -6.573 1.106 1.00 0.00 C ATOM 218 CD PRO A 10 13.875 -5.198 0.625 1.00 0.00 C ATOM 0 HA PRO A 10 11.500 -5.777 -1.335 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.777 -7.751 0.686 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.874 -7.583 -0.670 1.00 0.00 H new ATOM 0 HG2 PRO A 10 13.160 -6.547 2.136 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.381 -7.235 1.084 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.290 -4.582 1.423 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.616 -5.226 -0.174 1.00 0.00 H new ATOM 226 N GLN A 11 10.330 -5.024 1.568 1.00 0.00 N ATOM 227 CA GLN A 11 9.114 -4.820 2.340 1.00 0.00 C ATOM 228 C GLN A 11 7.994 -4.274 1.464 1.00 0.00 C ATOM 229 O GLN A 11 6.826 -4.436 1.782 1.00 0.00 O ATOM 230 CB GLN A 11 9.394 -3.864 3.498 1.00 0.00 C ATOM 231 CG GLN A 11 10.383 -4.419 4.512 1.00 0.00 C ATOM 232 CD GLN A 11 11.527 -3.464 4.801 1.00 0.00 C ATOM 233 OE1 GLN A 11 12.669 -3.885 4.981 1.00 0.00 O ATOM 234 NE2 GLN A 11 11.225 -2.171 4.850 1.00 0.00 N ATOM 0 H GLN A 11 11.162 -4.609 1.987 1.00 0.00 H new ATOM 0 HA GLN A 11 8.790 -5.782 2.736 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.781 -2.926 3.100 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.457 -3.633 4.004 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.858 -4.641 5.441 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.787 -5.361 4.141 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.264 -1.865 4.695 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.954 -1.484 5.043 1.00 0.00 H new ATOM 243 N ALA A 12 8.343 -3.642 0.349 1.00 0.00 N ATOM 244 CA ALA A 12 7.328 -3.113 -0.551 1.00 0.00 C ATOM 245 C ALA A 12 6.266 -4.180 -0.816 1.00 0.00 C ATOM 246 O ALA A 12 5.077 -3.981 -0.551 1.00 0.00 O ATOM 247 CB ALA A 12 7.960 -2.652 -1.857 1.00 0.00 C ATOM 0 H ALA A 12 9.306 -3.486 0.051 1.00 0.00 H new ATOM 0 HA ALA A 12 6.854 -2.251 -0.082 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.186 -2.260 -2.517 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.692 -1.871 -1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.455 -3.495 -2.339 1.00 0.00 H new ATOM 253 N ARG A 13 6.719 -5.325 -1.314 1.00 0.00 N ATOM 254 CA ARG A 13 5.834 -6.446 -1.601 1.00 0.00 C ATOM 255 C ARG A 13 5.533 -7.236 -0.329 1.00 0.00 C ATOM 256 O ARG A 13 4.438 -7.767 -0.165 1.00 0.00 O ATOM 257 CB ARG A 13 6.475 -7.369 -2.639 1.00 0.00 C ATOM 258 CG ARG A 13 7.673 -8.142 -2.104 1.00 0.00 C ATOM 259 CD ARG A 13 8.717 -8.378 -3.184 1.00 0.00 C ATOM 260 NE ARG A 13 8.721 -9.763 -3.649 1.00 0.00 N ATOM 261 CZ ARG A 13 9.530 -10.223 -4.602 1.00 0.00 C ATOM 262 NH1 ARG A 13 10.403 -9.414 -5.189 1.00 0.00 N ATOM 263 NH2 ARG A 13 9.466 -11.496 -4.968 1.00 0.00 N ATOM 0 H ARG A 13 7.701 -5.501 -1.528 1.00 0.00 H new ATOM 0 HA ARG A 13 4.899 -6.050 -1.997 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.727 -8.076 -2.997 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.789 -6.775 -3.497 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.122 -7.591 -1.278 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.339 -9.100 -1.705 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.524 -7.714 -4.026 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.703 -8.123 -2.796 1.00 0.00 H new ATOM 0 HE ARG A 13 8.066 -10.416 -3.219 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.457 -8.434 -4.911 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.020 -9.772 -5.918 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.797 -12.123 -4.520 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.085 -11.849 -5.698 1.00 0.00 H new ATOM 277 N ALA A 14 6.520 -7.315 0.561 1.00 0.00 N ATOM 278 CA ALA A 14 6.369 -8.048 1.814 1.00 0.00 C ATOM 279 C ALA A 14 5.346 -7.383 2.728 1.00 0.00 C ATOM 280 O ALA A 14 4.452 -8.042 3.261 1.00 0.00 O ATOM 281 CB ALA A 14 7.713 -8.161 2.519 1.00 0.00 C ATOM 0 H ALA A 14 7.434 -6.879 0.436 1.00 0.00 H new ATOM 0 HA ALA A 14 6.004 -9.048 1.578 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.589 -8.710 3.453 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.417 -8.691 1.877 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.097 -7.163 2.733 1.00 0.00 H new ATOM 287 N PHE A 15 5.480 -6.074 2.901 1.00 0.00 N ATOM 288 CA PHE A 15 4.571 -5.312 3.739 1.00 0.00 C ATOM 289 C PHE A 15 3.151 -5.457 3.225 1.00 0.00 C ATOM 290 O PHE A 15 2.225 -5.693 3.997 1.00 0.00 O ATOM 291 CB PHE A 15 5.007 -3.833 3.813 1.00 0.00 C ATOM 292 CG PHE A 15 4.363 -2.912 2.801 1.00 0.00 C ATOM 293 CD1 PHE A 15 2.997 -2.665 2.826 1.00 0.00 C ATOM 294 CD2 PHE A 15 5.129 -2.285 1.828 1.00 0.00 C ATOM 295 CE1 PHE A 15 2.412 -1.820 1.904 1.00 0.00 C ATOM 296 CE2 PHE A 15 4.548 -1.438 0.904 1.00 0.00 C ATOM 297 CZ PHE A 15 3.188 -1.206 0.941 1.00 0.00 C ATOM 0 H PHE A 15 6.216 -5.517 2.467 1.00 0.00 H new ATOM 0 HA PHE A 15 4.603 -5.707 4.754 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.787 -3.457 4.812 1.00 0.00 H new ATOM 0 HB3 PHE A 15 6.088 -3.785 3.686 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.384 -3.140 3.577 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.194 -2.462 1.793 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.348 -1.639 1.936 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.158 -0.958 0.153 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.732 -0.546 0.218 1.00 0.00 H new ATOM 307 N LEU A 16 2.984 -5.337 1.914 1.00 0.00 N ATOM 308 CA LEU A 16 1.668 -5.485 1.319 1.00 0.00 C ATOM 309 C LEU A 16 1.286 -6.958 1.264 1.00 0.00 C ATOM 310 O LEU A 16 0.110 -7.308 1.357 1.00 0.00 O ATOM 311 CB LEU A 16 1.615 -4.888 -0.085 1.00 0.00 C ATOM 312 CG LEU A 16 0.291 -5.112 -0.810 1.00 0.00 C ATOM 313 CD1 LEU A 16 -0.788 -4.204 -0.241 1.00 0.00 C ATOM 314 CD2 LEU A 16 0.458 -4.873 -2.296 1.00 0.00 C ATOM 0 H LEU A 16 3.735 -5.140 1.252 1.00 0.00 H new ATOM 0 HA LEU A 16 0.958 -4.943 1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.804 -3.816 -0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.420 -5.318 -0.681 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.017 -6.147 -0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.725 -4.377 -0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.924 -4.420 0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.489 -3.163 -0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.494 -5.037 -2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.787 -3.848 -2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.202 -5.563 -2.694 1.00 0.00 H new ATOM 326 N GLU A 17 2.291 -7.821 1.123 1.00 0.00 N ATOM 327 CA GLU A 17 2.055 -9.258 1.069 1.00 0.00 C ATOM 328 C GLU A 17 1.220 -9.687 2.259 1.00 0.00 C ATOM 329 O GLU A 17 0.279 -10.463 2.121 1.00 0.00 O ATOM 330 CB GLU A 17 3.381 -10.023 1.052 1.00 0.00 C ATOM 331 CG GLU A 17 3.727 -10.615 -0.305 1.00 0.00 C ATOM 332 CD GLU A 17 4.802 -11.682 -0.220 1.00 0.00 C ATOM 333 OE1 GLU A 17 5.871 -11.400 0.360 1.00 0.00 O ATOM 334 OE2 GLU A 17 4.573 -12.797 -0.732 1.00 0.00 O ATOM 0 H GLU A 17 3.271 -7.549 1.045 1.00 0.00 H new ATOM 0 HA GLU A 17 1.515 -9.488 0.151 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.182 -9.351 1.360 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.337 -10.826 1.788 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.829 -11.044 -0.750 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.062 -9.819 -0.970 1.00 0.00 H new ATOM 341 N GLN A 18 1.567 -9.157 3.424 1.00 0.00 N ATOM 342 CA GLN A 18 0.844 -9.466 4.648 1.00 0.00 C ATOM 343 C GLN A 18 -0.418 -8.611 4.757 1.00 0.00 C ATOM 344 O GLN A 18 -1.407 -9.028 5.360 1.00 0.00 O ATOM 345 CB GLN A 18 1.733 -9.276 5.886 1.00 0.00 C ATOM 346 CG GLN A 18 2.800 -8.199 5.740 1.00 0.00 C ATOM 347 CD GLN A 18 2.936 -7.342 6.981 1.00 0.00 C ATOM 348 OE1 GLN A 18 4.037 -7.135 7.491 1.00 0.00 O ATOM 349 NE2 GLN A 18 1.812 -6.837 7.478 1.00 0.00 N ATOM 0 H GLN A 18 2.346 -8.510 3.546 1.00 0.00 H new ATOM 0 HA GLN A 18 0.551 -10.515 4.606 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.099 -9.028 6.738 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.221 -10.223 6.116 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.758 -8.670 5.521 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.555 -7.563 4.889 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.920 -7.033 7.024 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.841 -6.253 8.314 1.00 0.00 H new ATOM 358 N VAL A 19 -0.389 -7.420 4.157 1.00 0.00 N ATOM 359 CA VAL A 19 -1.549 -6.528 4.183 1.00 0.00 C ATOM 360 C VAL A 19 -2.700 -7.128 3.377 1.00 0.00 C ATOM 361 O VAL A 19 -3.754 -7.451 3.925 1.00 0.00 O ATOM 362 CB VAL A 19 -1.207 -5.128 3.625 1.00 0.00 C ATOM 363 CG1 VAL A 19 -2.435 -4.227 3.604 1.00 0.00 C ATOM 364 CG2 VAL A 19 -0.098 -4.485 4.442 1.00 0.00 C ATOM 0 H VAL A 19 0.417 -7.053 3.651 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.849 -6.417 5.225 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.861 -5.254 2.599 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.162 -3.249 3.206 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.203 -4.674 2.973 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.819 -4.112 4.617 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.130 -3.500 4.035 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.421 -4.383 5.478 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.794 -5.110 4.400 1.00 0.00 H new ATOM 374 N PHE A 20 -2.486 -7.281 2.072 1.00 0.00 N ATOM 375 CA PHE A 20 -3.499 -7.851 1.188 1.00 0.00 C ATOM 376 C PHE A 20 -3.854 -9.273 1.617 1.00 0.00 C ATOM 377 O PHE A 20 -4.953 -9.756 1.360 1.00 0.00 O ATOM 378 CB PHE A 20 -2.993 -7.856 -0.255 1.00 0.00 C ATOM 379 CG PHE A 20 -4.004 -8.347 -1.253 1.00 0.00 C ATOM 380 CD1 PHE A 20 -4.356 -9.686 -1.302 1.00 0.00 C ATOM 381 CD2 PHE A 20 -4.599 -7.470 -2.146 1.00 0.00 C ATOM 382 CE1 PHE A 20 -5.281 -10.142 -2.220 1.00 0.00 C ATOM 383 CE2 PHE A 20 -5.525 -7.920 -3.067 1.00 0.00 C ATOM 384 CZ PHE A 20 -5.867 -9.257 -3.105 1.00 0.00 C ATOM 0 H PHE A 20 -1.619 -7.018 1.603 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.396 -7.235 1.253 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.690 -6.845 -0.527 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.103 -8.483 -0.316 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.901 -10.382 -0.613 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.336 -6.423 -2.122 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.546 -11.189 -2.246 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -5.981 -7.226 -3.757 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.591 -9.610 -3.825 1.00 0.00 H new ATOM 394 N ARG A 21 -2.909 -9.938 2.270 1.00 0.00 N ATOM 395 CA ARG A 21 -3.111 -11.302 2.737 1.00 0.00 C ATOM 396 C ARG A 21 -3.967 -11.313 4.002 1.00 0.00 C ATOM 397 O ARG A 21 -4.867 -12.139 4.148 1.00 0.00 O ATOM 398 CB ARG A 21 -1.748 -11.948 2.992 1.00 0.00 C ATOM 399 CG ARG A 21 -1.749 -13.124 3.957 1.00 0.00 C ATOM 400 CD ARG A 21 -0.724 -12.908 5.055 1.00 0.00 C ATOM 401 NE ARG A 21 -1.069 -13.621 6.283 1.00 0.00 N ATOM 402 CZ ARG A 21 -0.195 -13.905 7.246 1.00 0.00 C ATOM 403 NH1 ARG A 21 1.075 -13.537 7.129 1.00 0.00 N ATOM 404 NH2 ARG A 21 -0.592 -14.557 8.330 1.00 0.00 N ATOM 0 H ARG A 21 -1.991 -9.551 2.489 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.641 -11.875 1.976 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.341 -12.284 2.038 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.071 -11.186 3.377 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.740 -13.243 4.394 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.526 -14.045 3.418 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.254 -13.241 4.707 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.641 -11.842 5.267 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.036 -13.919 6.410 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.386 -13.034 6.298 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.740 -13.757 7.870 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.567 -14.841 8.426 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.078 -14.775 9.068 1.00 0.00 H new ATOM 418 N ARG A 22 -3.681 -10.385 4.910 1.00 0.00 N ATOM 419 CA ARG A 22 -4.429 -10.285 6.158 1.00 0.00 C ATOM 420 C ARG A 22 -5.902 -10.035 5.869 1.00 0.00 C ATOM 421 O ARG A 22 -6.783 -10.597 6.520 1.00 0.00 O ATOM 422 CB ARG A 22 -3.867 -9.155 7.019 1.00 0.00 C ATOM 423 CG ARG A 22 -2.664 -9.566 7.853 1.00 0.00 C ATOM 424 CD ARG A 22 -1.893 -8.356 8.359 1.00 0.00 C ATOM 425 NE ARG A 22 -2.782 -7.311 8.863 1.00 0.00 N ATOM 426 CZ ARG A 22 -3.472 -7.406 9.997 1.00 0.00 C ATOM 427 NH1 ARG A 22 -3.379 -8.497 10.749 1.00 0.00 N ATOM 428 NH2 ARG A 22 -4.257 -6.409 10.381 1.00 0.00 N ATOM 0 H ARG A 22 -2.939 -9.693 4.805 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.331 -11.225 6.701 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.584 -8.324 6.373 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.651 -8.791 7.683 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.996 -10.167 8.700 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.004 -10.195 7.255 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.212 -8.666 9.152 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.281 -7.953 7.552 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.879 -6.458 8.313 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.777 -9.267 10.458 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.910 -8.565 11.617 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.332 -5.569 9.807 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.786 -6.482 11.250 1.00 0.00 H new ATOM 442 N LYS A 23 -6.157 -9.192 4.877 1.00 0.00 N ATOM 443 CA LYS A 23 -7.520 -8.863 4.477 1.00 0.00 C ATOM 444 C LYS A 23 -7.529 -8.202 3.102 1.00 0.00 C ATOM 445 O LYS A 23 -6.577 -8.337 2.336 1.00 0.00 O ATOM 446 CB LYS A 23 -8.182 -7.956 5.518 1.00 0.00 C ATOM 447 CG LYS A 23 -7.693 -6.514 5.481 1.00 0.00 C ATOM 448 CD LYS A 23 -8.321 -5.654 6.576 1.00 0.00 C ATOM 449 CE LYS A 23 -8.697 -6.464 7.809 1.00 0.00 C ATOM 450 NZ LYS A 23 -7.517 -7.145 8.410 1.00 0.00 N ATOM 0 H LYS A 23 -5.435 -8.721 4.332 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.094 -9.788 4.416 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.261 -7.968 5.362 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.999 -8.366 6.511 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.608 -6.499 5.589 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.922 -6.081 4.507 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.623 -4.867 6.861 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.211 -5.163 6.182 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.152 -5.807 8.550 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.447 -7.208 7.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.700 -8.167 8.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.680 -6.978 7.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.346 -6.766 9.363 1.00 0.00 H new ATOM 464 N GLN A 24 -8.607 -7.498 2.785 1.00 0.00 N ATOM 465 CA GLN A 24 -8.725 -6.840 1.491 1.00 0.00 C ATOM 466 C GLN A 24 -9.405 -5.484 1.614 1.00 0.00 C ATOM 467 O GLN A 24 -8.959 -4.492 1.037 1.00 0.00 O ATOM 468 CB GLN A 24 -9.537 -7.718 0.542 1.00 0.00 C ATOM 469 CG GLN A 24 -9.151 -9.186 0.599 1.00 0.00 C ATOM 470 CD GLN A 24 -7.754 -9.445 0.077 1.00 0.00 C ATOM 471 OE1 GLN A 24 -7.180 -8.621 -0.636 1.00 0.00 O ATOM 472 NE2 GLN A 24 -7.198 -10.597 0.431 1.00 0.00 N ATOM 0 H GLN A 24 -9.408 -7.368 3.402 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.719 -6.688 1.101 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.595 -7.619 0.783 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.407 -7.355 -0.478 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.220 -9.535 1.629 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.865 -9.768 0.017 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.711 -11.250 1.023 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.258 -10.829 0.111 1.00 0.00 H new ATOM 481 N SER A 25 -10.503 -5.464 2.347 1.00 0.00 N ATOM 482 CA SER A 25 -11.283 -4.250 2.532 1.00 0.00 C ATOM 483 C SER A 25 -10.613 -3.277 3.498 1.00 0.00 C ATOM 484 O SER A 25 -11.087 -3.069 4.615 1.00 0.00 O ATOM 485 CB SER A 25 -12.681 -4.610 3.026 1.00 0.00 C ATOM 486 OG SER A 25 -13.536 -3.479 3.018 1.00 0.00 O ATOM 0 H SER A 25 -10.879 -6.281 2.828 1.00 0.00 H new ATOM 0 HA SER A 25 -11.352 -3.747 1.568 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.102 -5.392 2.394 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.619 -5.015 4.036 1.00 0.00 H new ATOM 0 HG SER A 25 -14.425 -3.739 3.338 1.00 0.00 H new ATOM 492 N LEU A 26 -9.520 -2.664 3.051 1.00 0.00 N ATOM 493 CA LEU A 26 -8.803 -1.692 3.872 1.00 0.00 C ATOM 494 C LEU A 26 -9.554 -0.364 3.882 1.00 0.00 C ATOM 495 O LEU A 26 -9.594 0.340 2.872 1.00 0.00 O ATOM 496 CB LEU A 26 -7.380 -1.472 3.337 1.00 0.00 C ATOM 497 CG LEU A 26 -6.394 -2.638 3.519 1.00 0.00 C ATOM 498 CD1 LEU A 26 -5.383 -2.327 4.617 1.00 0.00 C ATOM 499 CD2 LEU A 26 -7.125 -3.939 3.821 1.00 0.00 C ATOM 0 H LEU A 26 -9.113 -2.822 2.129 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.739 -2.083 4.887 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.446 -1.243 2.273 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.963 -0.592 3.827 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.856 -2.764 2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.696 -3.166 4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.822 -1.431 4.352 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.907 -2.161 5.558 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.400 -4.744 3.944 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.703 -3.827 4.739 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.797 -4.179 2.997 1.00 0.00 H new ATOM 511 N ASN A 27 -10.149 -0.019 5.021 1.00 0.00 N ATOM 512 CA ASN A 27 -10.891 1.233 5.135 1.00 0.00 C ATOM 513 C ASN A 27 -10.005 2.320 5.726 1.00 0.00 C ATOM 514 O ASN A 27 -8.840 2.080 6.025 1.00 0.00 O ATOM 515 CB ASN A 27 -12.158 1.063 5.993 1.00 0.00 C ATOM 516 CG ASN A 27 -12.357 -0.355 6.497 1.00 0.00 C ATOM 517 OD1 ASN A 27 -12.959 -1.189 5.821 1.00 0.00 O ATOM 518 ND2 ASN A 27 -11.852 -0.633 7.694 1.00 0.00 N ATOM 0 H ASN A 27 -10.132 -0.583 5.871 1.00 0.00 H new ATOM 0 HA ASN A 27 -11.200 1.526 4.132 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -12.104 1.740 6.846 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.028 1.358 5.406 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.956 -1.569 8.087 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.360 0.089 8.220 1.00 0.00 H new ATOM 525 N SER A 28 -10.559 3.513 5.903 1.00 0.00 N ATOM 526 CA SER A 28 -9.799 4.624 6.468 1.00 0.00 C ATOM 527 C SER A 28 -9.115 4.195 7.761 1.00 0.00 C ATOM 528 O SER A 28 -8.061 4.717 8.129 1.00 0.00 O ATOM 529 CB SER A 28 -10.716 5.821 6.729 1.00 0.00 C ATOM 530 OG SER A 28 -10.100 6.754 7.599 1.00 0.00 O ATOM 0 H SER A 28 -11.525 3.737 5.666 1.00 0.00 H new ATOM 0 HA SER A 28 -9.035 4.920 5.749 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.963 6.307 5.785 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.654 5.477 7.165 1.00 0.00 H new ATOM 0 HG SER A 28 -10.705 7.510 7.749 1.00 0.00 H new ATOM 536 N LYS A 29 -9.726 3.233 8.439 1.00 0.00 N ATOM 537 CA LYS A 29 -9.202 2.709 9.686 1.00 0.00 C ATOM 538 C LYS A 29 -8.055 1.743 9.431 1.00 0.00 C ATOM 539 O LYS A 29 -6.980 1.868 10.014 1.00 0.00 O ATOM 540 CB LYS A 29 -10.316 1.993 10.438 1.00 0.00 C ATOM 541 CG LYS A 29 -11.554 2.849 10.645 1.00 0.00 C ATOM 542 CD LYS A 29 -12.577 2.631 9.541 1.00 0.00 C ATOM 543 CE LYS A 29 -12.923 3.933 8.837 1.00 0.00 C ATOM 544 NZ LYS A 29 -14.112 4.592 9.446 1.00 0.00 N ATOM 0 H LYS A 29 -10.597 2.797 8.138 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.824 3.540 10.282 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.594 1.093 9.890 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.940 1.671 11.409 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.003 2.613 11.610 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.269 3.901 10.675 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.185 1.917 8.816 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.481 2.193 9.963 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.069 4.609 8.883 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.117 3.736 7.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.317 5.477 8.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.933 3.957 9.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.918 4.803 10.446 1.00 0.00 H new ATOM 558 N GLU A 30 -8.291 0.781 8.552 1.00 0.00 N ATOM 559 CA GLU A 30 -7.285 -0.207 8.212 1.00 0.00 C ATOM 560 C GLU A 30 -6.182 0.435 7.398 1.00 0.00 C ATOM 561 O GLU A 30 -5.014 0.130 7.568 1.00 0.00 O ATOM 562 CB GLU A 30 -7.911 -1.352 7.419 1.00 0.00 C ATOM 563 CG GLU A 30 -9.196 -1.885 8.033 1.00 0.00 C ATOM 564 CD GLU A 30 -9.029 -3.258 8.655 1.00 0.00 C ATOM 565 OE1 GLU A 30 -7.876 -3.727 8.764 1.00 0.00 O ATOM 566 OE2 GLU A 30 -10.053 -3.864 9.034 1.00 0.00 O ATOM 0 H GLU A 30 -9.177 0.665 8.060 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.864 -0.606 9.135 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.117 -1.011 6.405 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.190 -2.166 7.341 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.546 -1.187 8.794 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.968 -1.931 7.265 1.00 0.00 H new ATOM 573 N LYS A 31 -6.566 1.339 6.517 1.00 0.00 N ATOM 574 CA LYS A 31 -5.608 2.034 5.682 1.00 0.00 C ATOM 575 C LYS A 31 -4.624 2.810 6.551 1.00 0.00 C ATOM 576 O LYS A 31 -3.449 2.931 6.221 1.00 0.00 O ATOM 577 CB LYS A 31 -6.349 2.965 4.723 1.00 0.00 C ATOM 578 CG LYS A 31 -6.511 4.383 5.242 1.00 0.00 C ATOM 579 CD LYS A 31 -7.153 5.282 4.202 1.00 0.00 C ATOM 580 CE LYS A 31 -7.541 6.629 4.792 1.00 0.00 C ATOM 581 NZ LYS A 31 -6.478 7.650 4.594 1.00 0.00 N ATOM 0 H LYS A 31 -7.537 1.609 6.362 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.041 1.312 5.095 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.813 2.995 3.775 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.335 2.549 4.518 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.122 4.374 6.145 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.536 4.784 5.520 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.461 5.432 3.373 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.038 4.794 3.794 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.466 6.974 4.330 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.740 6.514 5.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.461 8.296 5.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.555 7.178 4.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.674 8.191 3.728 1.00 0.00 H new ATOM 595 N GLU A 32 -5.119 3.328 7.669 1.00 0.00 N ATOM 596 CA GLU A 32 -4.287 4.087 8.593 1.00 0.00 C ATOM 597 C GLU A 32 -3.675 3.165 9.646 1.00 0.00 C ATOM 598 O GLU A 32 -2.529 3.346 10.057 1.00 0.00 O ATOM 599 CB GLU A 32 -5.117 5.187 9.262 1.00 0.00 C ATOM 600 CG GLU A 32 -6.069 4.679 10.333 1.00 0.00 C ATOM 601 CD GLU A 32 -6.760 5.803 11.080 1.00 0.00 C ATOM 602 OE1 GLU A 32 -6.141 6.370 12.004 1.00 0.00 O ATOM 603 OE2 GLU A 32 -7.920 6.115 10.740 1.00 0.00 O ATOM 0 H GLU A 32 -6.093 3.236 7.957 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.475 4.550 8.032 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.442 5.917 9.708 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.692 5.710 8.498 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.821 4.039 9.872 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.517 4.062 11.042 1.00 0.00 H new ATOM 610 N GLU A 33 -4.454 2.178 10.073 1.00 0.00 N ATOM 611 CA GLU A 33 -4.011 1.217 11.075 1.00 0.00 C ATOM 612 C GLU A 33 -3.011 0.233 10.479 1.00 0.00 C ATOM 613 O GLU A 33 -2.050 -0.169 11.133 1.00 0.00 O ATOM 614 CB GLU A 33 -5.217 0.458 11.625 1.00 0.00 C ATOM 615 CG GLU A 33 -6.142 1.315 12.472 1.00 0.00 C ATOM 616 CD GLU A 33 -5.889 1.155 13.958 1.00 0.00 C ATOM 617 OE1 GLU A 33 -4.716 1.266 14.376 1.00 0.00 O ATOM 618 OE2 GLU A 33 -6.862 0.919 14.704 1.00 0.00 O ATOM 0 H GLU A 33 -5.404 2.022 9.737 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.519 1.760 11.882 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.783 0.041 10.792 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.865 -0.382 12.224 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.015 2.362 12.196 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.177 1.051 12.253 1.00 0.00 H new ATOM 625 N VAL A 34 -3.251 -0.143 9.229 1.00 0.00 N ATOM 626 CA VAL A 34 -2.387 -1.076 8.517 1.00 0.00 C ATOM 627 C VAL A 34 -1.135 -0.366 8.026 1.00 0.00 C ATOM 628 O VAL A 34 -0.035 -0.914 8.079 1.00 0.00 O ATOM 629 CB VAL A 34 -3.130 -1.718 7.321 1.00 0.00 C ATOM 630 CG1 VAL A 34 -2.207 -2.614 6.505 1.00 0.00 C ATOM 631 CG2 VAL A 34 -4.338 -2.504 7.809 1.00 0.00 C ATOM 0 H VAL A 34 -4.046 0.188 8.683 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.102 -1.867 9.211 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.471 -0.913 6.670 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.763 -3.048 5.674 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.376 -2.024 6.118 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.821 -3.412 7.139 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.851 -2.950 6.957 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.010 -3.291 8.487 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.020 -1.835 8.333 1.00 0.00 H new ATOM 641 N ALA A 35 -1.311 0.859 7.548 1.00 0.00 N ATOM 642 CA ALA A 35 -0.191 1.645 7.052 1.00 0.00 C ATOM 643 C ALA A 35 0.842 1.896 8.146 1.00 0.00 C ATOM 644 O ALA A 35 2.035 2.012 7.872 1.00 0.00 O ATOM 645 CB ALA A 35 -0.684 2.963 6.485 1.00 0.00 C ATOM 0 H ALA A 35 -2.215 1.328 7.494 1.00 0.00 H new ATOM 0 HA ALA A 35 0.292 1.074 6.259 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.164 3.541 6.118 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.375 2.770 5.664 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.196 3.526 7.265 1.00 0.00 H new ATOM 651 N LYS A 36 0.373 1.997 9.383 1.00 0.00 N ATOM 652 CA LYS A 36 1.254 2.256 10.517 1.00 0.00 C ATOM 653 C LYS A 36 1.820 0.971 11.121 1.00 0.00 C ATOM 654 O LYS A 36 2.827 1.007 11.828 1.00 0.00 O ATOM 655 CB LYS A 36 0.503 3.046 11.588 1.00 0.00 C ATOM 656 CG LYS A 36 -0.620 2.261 12.247 1.00 0.00 C ATOM 657 CD LYS A 36 -1.348 3.098 13.288 1.00 0.00 C ATOM 658 CE LYS A 36 -2.199 4.177 12.638 1.00 0.00 C ATOM 659 NZ LYS A 36 -2.626 5.215 13.618 1.00 0.00 N ATOM 0 H LYS A 36 -0.613 1.904 9.628 1.00 0.00 H new ATOM 0 HA LYS A 36 2.097 2.839 10.146 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.209 3.366 12.354 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.089 3.949 11.139 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.327 1.928 11.487 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.213 1.366 12.718 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.980 2.453 13.898 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.622 3.559 13.958 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.635 4.648 11.833 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.080 3.721 12.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.204 5.932 13.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.186 4.770 14.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.786 5.668 14.031 1.00 0.00 H new ATOM 673 N LYS A 37 1.173 -0.161 10.857 1.00 0.00 N ATOM 674 CA LYS A 37 1.633 -1.435 11.403 1.00 0.00 C ATOM 675 C LYS A 37 2.354 -2.272 10.349 1.00 0.00 C ATOM 676 O LYS A 37 3.190 -3.114 10.680 1.00 0.00 O ATOM 677 CB LYS A 37 0.457 -2.226 11.989 1.00 0.00 C ATOM 678 CG LYS A 37 -0.488 -2.801 10.942 1.00 0.00 C ATOM 679 CD LYS A 37 -0.759 -4.279 11.183 1.00 0.00 C ATOM 680 CE LYS A 37 0.515 -5.105 11.091 1.00 0.00 C ATOM 681 NZ LYS A 37 0.690 -5.989 12.276 1.00 0.00 N ATOM 0 H LYS A 37 0.338 -0.223 10.275 1.00 0.00 H new ATOM 0 HA LYS A 37 2.344 -1.212 12.198 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.848 -3.042 12.597 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.109 -1.575 12.655 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.429 -2.251 10.959 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.058 -2.667 9.950 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.209 -4.411 12.167 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.481 -4.641 10.451 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.490 -5.712 10.186 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.374 -4.439 11.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.569 -6.535 12.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.740 -5.409 13.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.117 -6.642 12.344 1.00 0.00 H new ATOM 695 N CYS A 38 2.024 -2.044 9.084 1.00 0.00 N ATOM 696 CA CYS A 38 2.641 -2.788 7.994 1.00 0.00 C ATOM 697 C CYS A 38 3.776 -1.992 7.358 1.00 0.00 C ATOM 698 O CYS A 38 4.732 -2.568 6.841 1.00 0.00 O ATOM 699 CB CYS A 38 1.592 -3.153 6.946 1.00 0.00 C ATOM 700 SG CYS A 38 0.286 -4.236 7.575 1.00 0.00 S ATOM 0 H CYS A 38 1.335 -1.352 8.788 1.00 0.00 H new ATOM 0 HA CYS A 38 3.064 -3.705 8.404 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.140 -2.238 6.562 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.085 -3.642 6.106 1.00 0.00 H new ATOM 0 HG CYS A 38 0.135 -5.246 6.771 1.00 0.00 H new ATOM 706 N GLY A 39 3.676 -0.667 7.410 1.00 0.00 N ATOM 707 CA GLY A 39 4.720 0.171 6.844 1.00 0.00 C ATOM 708 C GLY A 39 4.246 1.029 5.687 1.00 0.00 C ATOM 709 O GLY A 39 5.055 1.502 4.890 1.00 0.00 O ATOM 0 H GLY A 39 2.897 -0.161 7.831 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.120 0.817 7.625 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.539 -0.463 6.504 1.00 0.00 H new ATOM 713 N ILE A 40 2.940 1.250 5.600 1.00 0.00 N ATOM 714 CA ILE A 40 2.381 2.077 4.538 1.00 0.00 C ATOM 715 C ILE A 40 1.960 3.432 5.105 1.00 0.00 C ATOM 716 O ILE A 40 2.379 3.807 6.200 1.00 0.00 O ATOM 717 CB ILE A 40 1.173 1.404 3.841 1.00 0.00 C ATOM 718 CG1 ILE A 40 1.028 -0.064 4.254 1.00 0.00 C ATOM 719 CG2 ILE A 40 1.311 1.499 2.329 1.00 0.00 C ATOM 720 CD1 ILE A 40 -0.209 -0.718 3.681 1.00 0.00 C ATOM 0 H ILE A 40 2.251 0.870 6.249 1.00 0.00 H new ATOM 0 HA ILE A 40 3.159 2.210 3.786 1.00 0.00 H new ATOM 0 HB ILE A 40 0.276 1.937 4.158 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.909 -0.617 3.928 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.996 -0.129 5.342 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.454 1.021 1.855 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.352 2.547 2.033 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.226 0.997 2.015 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.256 -1.756 4.009 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.095 -0.187 4.028 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.168 -0.683 2.592 1.00 0.00 H new ATOM 732 N THR A 41 1.135 4.167 4.365 1.00 0.00 N ATOM 733 CA THR A 41 0.678 5.477 4.821 1.00 0.00 C ATOM 734 C THR A 41 -0.729 5.777 4.308 1.00 0.00 C ATOM 735 O THR A 41 -1.167 5.210 3.307 1.00 0.00 O ATOM 736 CB THR A 41 1.648 6.570 4.366 1.00 0.00 C ATOM 737 OG1 THR A 41 2.823 6.003 3.811 1.00 0.00 O ATOM 738 CG2 THR A 41 2.074 7.497 5.484 1.00 0.00 C ATOM 0 H THR A 41 0.772 3.882 3.455 1.00 0.00 H new ATOM 0 HA THR A 41 0.649 5.461 5.910 1.00 0.00 H new ATOM 0 HB THR A 41 1.099 7.148 3.623 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.428 6.719 3.525 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.761 8.247 5.093 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.197 7.991 5.901 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.572 6.921 6.264 1.00 0.00 H new ATOM 746 N PRO A 42 -1.457 6.679 4.991 1.00 0.00 N ATOM 747 CA PRO A 42 -2.820 7.056 4.598 1.00 0.00 C ATOM 748 C PRO A 42 -2.908 7.458 3.130 1.00 0.00 C ATOM 749 O PRO A 42 -3.972 7.378 2.519 1.00 0.00 O ATOM 750 CB PRO A 42 -3.133 8.249 5.501 1.00 0.00 C ATOM 751 CG PRO A 42 -2.269 8.053 6.698 1.00 0.00 C ATOM 752 CD PRO A 42 -1.010 7.403 6.196 1.00 0.00 C ATOM 0 HA PRO A 42 -3.520 6.228 4.708 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.911 9.192 5.002 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.188 8.273 5.774 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.051 9.005 7.182 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.764 7.425 7.438 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.243 8.141 5.960 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.584 6.726 6.937 1.00 0.00 H new ATOM 760 N LEU A 43 -1.781 7.885 2.569 1.00 0.00 N ATOM 761 CA LEU A 43 -1.726 8.294 1.169 1.00 0.00 C ATOM 762 C LEU A 43 -1.370 7.110 0.275 1.00 0.00 C ATOM 763 O LEU A 43 -1.743 7.065 -0.900 1.00 0.00 O ATOM 764 CB LEU A 43 -0.700 9.413 0.983 1.00 0.00 C ATOM 765 CG LEU A 43 -1.045 10.429 -0.107 1.00 0.00 C ATOM 766 CD1 LEU A 43 -1.597 11.704 0.510 1.00 0.00 C ATOM 767 CD2 LEU A 43 0.176 10.733 -0.961 1.00 0.00 C ATOM 0 H LEU A 43 -0.892 7.957 3.063 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.711 8.663 0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.586 9.942 1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.266 8.965 0.749 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.812 9.997 -0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.837 12.416 -0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.499 11.473 1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.851 12.139 1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.090 11.458 -1.731 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.966 11.144 -0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.528 9.815 -1.433 1.00 0.00 H new ATOM 779 N GLN A 44 -0.653 6.147 0.842 1.00 0.00 N ATOM 780 CA GLN A 44 -0.257 4.959 0.100 1.00 0.00 C ATOM 781 C GLN A 44 -1.403 3.966 0.069 1.00 0.00 C ATOM 782 O GLN A 44 -1.895 3.603 -0.989 1.00 0.00 O ATOM 783 CB GLN A 44 0.979 4.309 0.723 1.00 0.00 C ATOM 784 CG GLN A 44 1.980 5.304 1.285 1.00 0.00 C ATOM 785 CD GLN A 44 2.572 6.204 0.217 1.00 0.00 C ATOM 786 OE1 GLN A 44 3.209 5.734 -0.725 1.00 0.00 O ATOM 787 NE2 GLN A 44 2.362 7.507 0.361 1.00 0.00 N ATOM 0 H GLN A 44 -0.335 6.166 1.811 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.008 5.258 -0.918 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.661 3.638 1.521 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.474 3.696 -0.030 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.491 5.918 2.041 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.783 4.762 1.784 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.828 7.852 1.158 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.735 8.163 -0.326 1.00 0.00 H new ATOM 796 N VAL A 45 -1.831 3.545 1.249 1.00 0.00 N ATOM 797 CA VAL A 45 -2.930 2.596 1.391 1.00 0.00 C ATOM 798 C VAL A 45 -4.018 2.801 0.337 1.00 0.00 C ATOM 799 O VAL A 45 -4.645 1.848 -0.107 1.00 0.00 O ATOM 800 CB VAL A 45 -3.556 2.730 2.778 1.00 0.00 C ATOM 801 CG1 VAL A 45 -2.569 2.271 3.831 1.00 0.00 C ATOM 802 CG2 VAL A 45 -3.977 4.171 3.029 1.00 0.00 C ATOM 0 H VAL A 45 -1.429 3.850 2.135 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.509 1.600 1.253 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.444 2.101 2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.019 2.368 4.819 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.306 1.228 3.653 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.670 2.886 3.780 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.422 4.253 4.021 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.104 4.821 2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.707 4.473 2.278 1.00 0.00 H new ATOM 812 N ARG A 46 -4.229 4.044 -0.069 1.00 0.00 N ATOM 813 CA ARG A 46 -5.236 4.340 -1.080 1.00 0.00 C ATOM 814 C ARG A 46 -4.683 4.083 -2.481 1.00 0.00 C ATOM 815 O ARG A 46 -5.213 3.256 -3.221 1.00 0.00 O ATOM 816 CB ARG A 46 -5.728 5.786 -0.963 1.00 0.00 C ATOM 817 CG ARG A 46 -4.678 6.766 -0.469 1.00 0.00 C ATOM 818 CD ARG A 46 -4.832 8.133 -1.116 1.00 0.00 C ATOM 819 NE ARG A 46 -6.200 8.639 -1.017 1.00 0.00 N ATOM 820 CZ ARG A 46 -7.104 8.547 -1.992 1.00 0.00 C ATOM 821 NH1 ARG A 46 -6.804 7.956 -3.142 1.00 0.00 N ATOM 822 NH2 ARG A 46 -8.320 9.047 -1.811 1.00 0.00 N ATOM 0 H ARG A 46 -3.723 4.857 0.281 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.084 3.676 -0.910 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.085 6.116 -1.939 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.581 5.813 -0.285 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.755 6.866 0.614 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.684 6.372 -0.683 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.150 8.838 -0.640 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.544 8.071 -2.165 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.480 9.091 -0.147 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.873 7.566 -3.287 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.505 7.892 -3.880 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.559 9.499 -0.929 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.015 8.979 -2.554 1.00 0.00 H new ATOM 836 N VAL A 47 -3.613 4.788 -2.840 1.00 0.00 N ATOM 837 CA VAL A 47 -2.995 4.625 -4.155 1.00 0.00 C ATOM 838 C VAL A 47 -2.342 3.253 -4.296 1.00 0.00 C ATOM 839 O VAL A 47 -2.466 2.587 -5.325 1.00 0.00 O ATOM 840 CB VAL A 47 -1.923 5.704 -4.396 1.00 0.00 C ATOM 841 CG1 VAL A 47 -2.521 7.093 -4.240 1.00 0.00 C ATOM 842 CG2 VAL A 47 -0.750 5.507 -3.442 1.00 0.00 C ATOM 0 H VAL A 47 -3.156 5.476 -2.241 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.791 4.724 -4.893 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.554 5.607 -5.417 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.749 7.843 -4.414 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.326 7.226 -4.963 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.917 7.207 -3.231 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.000 6.277 -3.624 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.102 5.579 -2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.308 4.524 -3.606 1.00 0.00 H new ATOM 852 N TRP A 48 -1.637 2.853 -3.251 1.00 0.00 N ATOM 853 CA TRP A 48 -0.940 1.581 -3.219 1.00 0.00 C ATOM 854 C TRP A 48 -1.920 0.415 -3.344 1.00 0.00 C ATOM 855 O TRP A 48 -1.773 -0.429 -4.226 1.00 0.00 O ATOM 856 CB TRP A 48 -0.112 1.484 -1.934 1.00 0.00 C ATOM 857 CG TRP A 48 1.347 1.253 -2.188 1.00 0.00 C ATOM 858 CD1 TRP A 48 2.284 2.205 -2.467 1.00 0.00 C ATOM 859 CD2 TRP A 48 2.037 -0.002 -2.194 1.00 0.00 C ATOM 860 NE1 TRP A 48 3.514 1.622 -2.645 1.00 0.00 N ATOM 861 CE2 TRP A 48 3.389 0.268 -2.482 1.00 0.00 C ATOM 862 CE3 TRP A 48 1.646 -1.327 -1.983 1.00 0.00 C ATOM 863 CZ2 TRP A 48 4.349 -0.738 -2.564 1.00 0.00 C ATOM 864 CZ3 TRP A 48 2.601 -2.324 -2.064 1.00 0.00 C ATOM 865 CH2 TRP A 48 3.938 -2.024 -2.353 1.00 0.00 C ATOM 0 H TRP A 48 -1.532 3.404 -2.399 1.00 0.00 H new ATOM 0 HA TRP A 48 -0.265 1.522 -4.073 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.233 2.403 -1.361 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.500 0.672 -1.320 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.086 3.264 -2.538 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.379 2.116 -2.863 1.00 0.00 H new ATOM 0 HE3 TRP A 48 0.617 -1.568 -1.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.381 -0.510 -2.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.311 -3.352 -1.902 1.00 0.00 H new ATOM 0 HH2 TRP A 48 4.659 -2.826 -2.410 1.00 0.00 H new ATOM 876 N PHE A 49 -2.930 0.378 -2.474 1.00 0.00 N ATOM 877 CA PHE A 49 -3.929 -0.688 -2.523 1.00 0.00 C ATOM 878 C PHE A 49 -4.747 -0.602 -3.808 1.00 0.00 C ATOM 879 O PHE A 49 -5.308 -1.595 -4.259 1.00 0.00 O ATOM 880 CB PHE A 49 -4.883 -0.619 -1.328 1.00 0.00 C ATOM 881 CG PHE A 49 -4.236 -0.828 0.016 1.00 0.00 C ATOM 882 CD1 PHE A 49 -2.981 -1.409 0.131 1.00 0.00 C ATOM 883 CD2 PHE A 49 -4.897 -0.443 1.171 1.00 0.00 C ATOM 884 CE1 PHE A 49 -2.403 -1.600 1.373 1.00 0.00 C ATOM 885 CE2 PHE A 49 -4.325 -0.629 2.412 1.00 0.00 C ATOM 886 CZ PHE A 49 -3.076 -1.207 2.515 1.00 0.00 C ATOM 0 H PHE A 49 -3.077 1.066 -1.735 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.387 -1.633 -2.491 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.375 0.354 -1.330 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.662 -1.370 -1.460 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.450 -1.715 -0.758 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.875 0.010 1.098 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.427 -2.056 1.451 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.854 -0.323 3.302 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.625 -1.352 3.486 1.00 0.00 H new ATOM 896 N ILE A 50 -4.826 0.589 -4.393 1.00 0.00 N ATOM 897 CA ILE A 50 -5.590 0.775 -5.623 1.00 0.00 C ATOM 898 C ILE A 50 -5.110 -0.190 -6.708 1.00 0.00 C ATOM 899 O ILE A 50 -5.886 -0.994 -7.226 1.00 0.00 O ATOM 900 CB ILE A 50 -5.504 2.240 -6.127 1.00 0.00 C ATOM 901 CG1 ILE A 50 -6.693 3.049 -5.599 1.00 0.00 C ATOM 902 CG2 ILE A 50 -5.453 2.306 -7.651 1.00 0.00 C ATOM 903 CD1 ILE A 50 -8.014 2.678 -6.237 1.00 0.00 C ATOM 0 H ILE A 50 -4.375 1.433 -4.040 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.634 0.558 -5.399 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.579 2.672 -5.746 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.768 2.906 -4.521 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.503 4.109 -5.768 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.393 3.347 -7.968 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.576 1.766 -8.009 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.353 1.852 -8.065 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.808 3.292 -5.813 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.959 2.848 -7.312 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.228 1.626 -6.046 1.00 0.00 H new ATOM 915 N ASN A 51 -3.827 -0.109 -7.044 1.00 0.00 N ATOM 916 CA ASN A 51 -3.249 -0.977 -8.064 1.00 0.00 C ATOM 917 C ASN A 51 -2.953 -2.364 -7.500 1.00 0.00 C ATOM 918 O ASN A 51 -3.035 -3.365 -8.212 1.00 0.00 O ATOM 919 CB ASN A 51 -1.967 -0.357 -8.624 1.00 0.00 C ATOM 920 CG ASN A 51 -2.241 0.874 -9.466 1.00 0.00 C ATOM 921 OD1 ASN A 51 -2.977 0.813 -10.452 1.00 0.00 O ATOM 922 ND2 ASN A 51 -1.649 1.998 -9.083 1.00 0.00 N ATOM 0 H ASN A 51 -3.168 0.548 -6.626 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.977 -1.082 -8.869 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.305 -0.090 -7.800 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.442 -1.097 -9.228 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.796 2.858 -9.612 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.047 2.002 -8.259 1.00 0.00 H new ATOM 929 N LYS A 52 -2.606 -2.414 -6.218 1.00 0.00 N ATOM 930 CA LYS A 52 -2.295 -3.678 -5.556 1.00 0.00 C ATOM 931 C LYS A 52 -3.559 -4.368 -5.041 1.00 0.00 C ATOM 932 O LYS A 52 -3.488 -5.435 -4.432 1.00 0.00 O ATOM 933 CB LYS A 52 -1.334 -3.438 -4.391 1.00 0.00 C ATOM 934 CG LYS A 52 0.116 -3.260 -4.822 1.00 0.00 C ATOM 935 CD LYS A 52 0.691 -4.546 -5.395 1.00 0.00 C ATOM 936 CE LYS A 52 2.199 -4.614 -5.208 1.00 0.00 C ATOM 937 NZ LYS A 52 2.887 -5.142 -6.418 1.00 0.00 N ATOM 0 H LYS A 52 -2.533 -1.594 -5.616 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.826 -4.330 -6.293 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.653 -2.550 -3.845 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.398 -4.278 -3.699 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.180 -2.468 -5.568 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.714 -2.942 -3.968 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.224 -5.403 -4.909 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.452 -4.612 -6.456 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.581 -3.619 -4.979 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.430 -5.249 -4.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.913 -5.172 -6.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.542 -6.101 -6.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.688 -4.522 -7.229 1.00 0.00 H new ATOM 951 N ARG A 53 -4.713 -3.753 -5.280 1.00 0.00 N ATOM 952 CA ARG A 53 -5.984 -4.308 -4.830 1.00 0.00 C ATOM 953 C ARG A 53 -7.155 -3.630 -5.533 1.00 0.00 C ATOM 954 O ARG A 53 -8.200 -3.399 -4.926 1.00 0.00 O ATOM 955 CB ARG A 53 -6.130 -4.146 -3.315 1.00 0.00 C ATOM 956 CG ARG A 53 -7.267 -4.966 -2.724 1.00 0.00 C ATOM 957 CD ARG A 53 -7.817 -4.330 -1.458 1.00 0.00 C ATOM 958 NE ARG A 53 -9.265 -4.149 -1.521 1.00 0.00 N ATOM 959 CZ ARG A 53 -9.859 -3.147 -2.165 1.00 0.00 C ATOM 960 NH1 ARG A 53 -9.132 -2.233 -2.798 1.00 0.00 N ATOM 961 NH2 ARG A 53 -11.182 -3.057 -2.176 1.00 0.00 N ATOM 0 H ARG A 53 -4.794 -2.869 -5.783 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.994 -5.369 -5.081 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.195 -4.436 -2.835 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.294 -3.093 -3.084 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.066 -5.064 -3.459 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.913 -5.973 -2.502 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.567 -4.954 -0.600 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.337 -3.364 -1.300 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.855 -4.830 -1.044 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.114 -2.297 -2.792 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.592 -1.467 -3.290 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.745 -3.756 -1.691 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.637 -2.289 -2.670 1.00 0.00 H new ATOM 975 N MET A 54 -6.975 -3.311 -6.810 1.00 0.00 N ATOM 976 CA MET A 54 -8.022 -2.660 -7.590 1.00 0.00 C ATOM 977 C MET A 54 -9.256 -3.553 -7.694 1.00 0.00 C ATOM 978 O MET A 54 -9.530 -4.135 -8.743 1.00 0.00 O ATOM 979 CB MET A 54 -7.501 -2.311 -8.988 1.00 0.00 C ATOM 980 CG MET A 54 -7.820 -0.889 -9.417 1.00 0.00 C ATOM 981 SD MET A 54 -6.814 -0.340 -10.810 1.00 0.00 S ATOM 982 CE MET A 54 -7.415 -1.417 -12.108 1.00 0.00 C ATOM 0 H MET A 54 -6.115 -3.492 -7.327 1.00 0.00 H new ATOM 0 HA MET A 54 -8.308 -1.740 -7.080 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.421 -2.455 -9.011 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.930 -3.005 -9.711 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.874 -0.823 -9.687 1.00 0.00 H new ATOM 0 HG3 MET A 54 -7.664 -0.216 -8.574 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.939 -1.151 -13.051 1.00 0.00 H new ATOM 0 HE2 MET A 54 -7.178 -2.452 -11.861 1.00 0.00 H new ATOM 0 HE3 MET A 54 -8.495 -1.305 -12.203 1.00 0.00 H new