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= -1.03 K(o=-11,f=-8.1) USER MOD Set 1.2: A 37 LYS NZ :NH3+ -132:sc= -0.428 (180deg=0) USER MOD Set 1.3: A 38 CYS SG : rot 76:sc= -9.77! USER MOD Single : A 9 SER OG : rot 14:sc= 0.801 USER MOD Single : A 11 GLN : amide:sc= -0.776 K(o=-0.78,f=-0.018) USER MOD Single : A 23 LYS NZ :NH3+ -154:sc= 0.805 (180deg=0.376) USER MOD Single : A 24 GLN : amide:sc= -2.23 K(o=-2.2,f=-4!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -2.06 K(o=-2.1,f=-0.79) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.89 USER MOD Single : A 44 GLN : amide:sc= -0.939 K(o=-0.94,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.537 K(o=-0.54,f=-1.5) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -152:sc= -0.287 (180deg=-1.38!) USER MOD ----------------------------------------------------------------- ATOM 201 N SER A 9 12.082 -0.837 0.111 1.00 0.00 N ATOM 202 CA SER A 9 12.813 -2.087 0.305 1.00 0.00 C ATOM 203 C SER A 9 11.934 -3.275 -0.099 1.00 0.00 C ATOM 204 O SER A 9 10.805 -3.080 -0.551 1.00 0.00 O ATOM 205 CB SER A 9 13.240 -2.207 1.772 1.00 0.00 C ATOM 206 OG SER A 9 12.931 -1.027 2.495 1.00 0.00 O ATOM 0 HA SER A 9 13.704 -2.089 -0.323 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.739 -3.059 2.231 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.311 -2.400 1.827 1.00 0.00 H new ATOM 0 HG SER A 9 12.311 -0.476 1.973 1.00 0.00 H new ATOM 212 N PRO A 10 12.408 -4.527 0.067 1.00 0.00 N ATOM 213 CA PRO A 10 11.610 -5.705 -0.284 1.00 0.00 C ATOM 214 C PRO A 10 10.229 -5.638 0.354 1.00 0.00 C ATOM 215 O PRO A 10 9.273 -6.239 -0.135 1.00 0.00 O ATOM 216 CB PRO A 10 12.411 -6.886 0.281 1.00 0.00 C ATOM 217 CG PRO A 10 13.431 -6.273 1.181 1.00 0.00 C ATOM 218 CD PRO A 10 13.715 -4.911 0.616 1.00 0.00 C ATOM 0 HA PRO A 10 11.443 -5.787 -1.358 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.766 -7.573 0.828 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.883 -7.459 -0.517 1.00 0.00 H new ATOM 0 HG2 PRO A 10 13.058 -6.202 2.203 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.337 -6.879 1.214 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.056 -4.215 1.382 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.487 -4.942 -0.153 1.00 0.00 H new ATOM 226 N GLN A 11 10.137 -4.881 1.445 1.00 0.00 N ATOM 227 CA GLN A 11 8.881 -4.702 2.157 1.00 0.00 C ATOM 228 C GLN A 11 7.763 -4.328 1.196 1.00 0.00 C ATOM 229 O GLN A 11 6.600 -4.602 1.456 1.00 0.00 O ATOM 230 CB GLN A 11 9.033 -3.614 3.219 1.00 0.00 C ATOM 231 CG GLN A 11 9.981 -3.985 4.348 1.00 0.00 C ATOM 232 CD GLN A 11 10.174 -2.854 5.340 1.00 0.00 C ATOM 233 OE1 GLN A 11 10.196 -3.071 6.550 1.00 0.00 O ATOM 234 NE2 GLN A 11 10.315 -1.636 4.827 1.00 0.00 N ATOM 0 H GLN A 11 10.925 -4.380 1.855 1.00 0.00 H new ATOM 0 HA GLN A 11 8.624 -5.645 2.639 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.391 -2.702 2.742 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.052 -3.390 3.639 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.594 -4.860 4.870 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.947 -4.265 3.929 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.290 -1.502 3.816 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.448 -0.835 5.444 1.00 0.00 H new ATOM 243 N ALA A 12 8.114 -3.706 0.075 1.00 0.00 N ATOM 244 CA ALA A 12 7.112 -3.321 -0.912 1.00 0.00 C ATOM 245 C ALA A 12 6.123 -4.462 -1.125 1.00 0.00 C ATOM 246 O ALA A 12 4.914 -4.303 -0.950 1.00 0.00 O ATOM 247 CB ALA A 12 7.780 -2.939 -2.223 1.00 0.00 C ATOM 0 H ALA A 12 9.073 -3.460 -0.171 1.00 0.00 H new ATOM 0 HA ALA A 12 6.567 -2.453 -0.541 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.019 -2.654 -2.950 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.455 -2.100 -2.056 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.346 -3.789 -2.604 1.00 0.00 H new ATOM 253 N ARG A 13 6.661 -5.625 -1.478 1.00 0.00 N ATOM 254 CA ARG A 13 5.850 -6.813 -1.694 1.00 0.00 C ATOM 255 C ARG A 13 5.521 -7.488 -0.365 1.00 0.00 C ATOM 256 O ARG A 13 4.428 -8.022 -0.188 1.00 0.00 O ATOM 257 CB ARG A 13 6.580 -7.798 -2.612 1.00 0.00 C ATOM 258 CG ARG A 13 7.761 -8.491 -1.949 1.00 0.00 C ATOM 259 CD ARG A 13 8.861 -8.808 -2.950 1.00 0.00 C ATOM 260 NE ARG A 13 9.380 -10.164 -2.785 1.00 0.00 N ATOM 261 CZ ARG A 13 8.724 -11.259 -3.163 1.00 0.00 C ATOM 262 NH1 ARG A 13 7.525 -11.163 -3.723 1.00 0.00 N ATOM 263 NH2 ARG A 13 9.270 -12.454 -2.981 1.00 0.00 N ATOM 0 H ARG A 13 7.661 -5.768 -1.621 1.00 0.00 H new ATOM 0 HA ARG A 13 4.919 -6.508 -2.171 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.873 -8.553 -2.956 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.932 -7.265 -3.495 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.160 -7.854 -1.159 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.423 -9.413 -1.475 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.475 -8.689 -3.962 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.675 -8.092 -2.833 1.00 0.00 H new ATOM 0 HE ARG A 13 10.298 -10.278 -2.355 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.101 -10.246 -3.866 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.027 -12.006 -4.010 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.192 -12.533 -2.552 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.768 -13.293 -3.270 1.00 0.00 H new ATOM 277 N ALA A 14 6.479 -7.464 0.561 1.00 0.00 N ATOM 278 CA ALA A 14 6.302 -8.081 1.874 1.00 0.00 C ATOM 279 C ALA A 14 5.224 -7.372 2.686 1.00 0.00 C ATOM 280 O ALA A 14 4.245 -7.987 3.109 1.00 0.00 O ATOM 281 CB ALA A 14 7.619 -8.081 2.633 1.00 0.00 C ATOM 0 H ALA A 14 7.388 -7.022 0.425 1.00 0.00 H new ATOM 0 HA ALA A 14 5.977 -9.110 1.719 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.476 -8.543 3.610 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.363 -8.645 2.070 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.964 -7.055 2.764 1.00 0.00 H new ATOM 287 N PHE A 15 5.406 -6.075 2.900 1.00 0.00 N ATOM 288 CA PHE A 15 4.446 -5.286 3.655 1.00 0.00 C ATOM 289 C PHE A 15 3.058 -5.440 3.053 1.00 0.00 C ATOM 290 O PHE A 15 2.108 -5.782 3.750 1.00 0.00 O ATOM 291 CB PHE A 15 4.887 -3.808 3.722 1.00 0.00 C ATOM 292 CG PHE A 15 4.253 -2.890 2.703 1.00 0.00 C ATOM 293 CD1 PHE A 15 2.904 -2.574 2.773 1.00 0.00 C ATOM 294 CD2 PHE A 15 5.011 -2.333 1.683 1.00 0.00 C ATOM 295 CE1 PHE A 15 2.324 -1.728 1.848 1.00 0.00 C ATOM 296 CE2 PHE A 15 4.434 -1.486 0.754 1.00 0.00 C ATOM 297 CZ PHE A 15 3.090 -1.185 0.837 1.00 0.00 C ATOM 0 H PHE A 15 6.211 -5.549 2.560 1.00 0.00 H new ATOM 0 HA PHE A 15 4.407 -5.655 4.680 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.663 -3.426 4.718 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.969 -3.765 3.600 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.299 -2.995 3.562 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.064 -2.563 1.614 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.272 -1.492 1.916 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.035 -1.061 -0.036 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.638 -0.525 0.111 1.00 0.00 H new ATOM 307 N LEU A 16 2.952 -5.216 1.749 1.00 0.00 N ATOM 308 CA LEU A 16 1.675 -5.361 1.068 1.00 0.00 C ATOM 309 C LEU A 16 1.223 -6.814 1.112 1.00 0.00 C ATOM 310 O LEU A 16 0.029 -7.101 1.208 1.00 0.00 O ATOM 311 CB LEU A 16 1.773 -4.893 -0.385 1.00 0.00 C ATOM 312 CG LEU A 16 0.525 -5.158 -1.232 1.00 0.00 C ATOM 313 CD1 LEU A 16 -0.341 -3.910 -1.312 1.00 0.00 C ATOM 314 CD2 LEU A 16 0.912 -5.634 -2.625 1.00 0.00 C ATOM 0 H LEU A 16 3.727 -4.936 1.148 1.00 0.00 H new ATOM 0 HA LEU A 16 0.943 -4.738 1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.980 -3.823 -0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.624 -5.386 -0.854 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.054 -5.947 -0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.223 -4.117 -1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.651 -3.617 -0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.229 -3.100 -1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.011 -5.817 -3.211 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.515 -4.870 -3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.487 -6.556 -2.547 1.00 0.00 H new ATOM 326 N GLU A 17 2.187 -7.730 1.046 1.00 0.00 N ATOM 327 CA GLU A 17 1.885 -9.155 1.086 1.00 0.00 C ATOM 328 C GLU A 17 0.994 -9.474 2.277 1.00 0.00 C ATOM 329 O GLU A 17 -0.148 -9.895 2.113 1.00 0.00 O ATOM 330 CB GLU A 17 3.174 -9.981 1.158 1.00 0.00 C ATOM 331 CG GLU A 17 3.555 -10.626 -0.164 1.00 0.00 C ATOM 332 CD GLU A 17 2.692 -11.827 -0.497 1.00 0.00 C ATOM 333 OE1 GLU A 17 1.452 -11.683 -0.507 1.00 0.00 O ATOM 334 OE2 GLU A 17 3.257 -12.914 -0.749 1.00 0.00 O ATOM 0 H GLU A 17 3.180 -7.510 0.965 1.00 0.00 H new ATOM 0 HA GLU A 17 1.357 -9.417 0.169 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.990 -9.338 1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.056 -10.759 1.912 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.468 -9.889 -0.962 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.600 -10.934 -0.126 1.00 0.00 H new ATOM 341 N GLN A 18 1.527 -9.260 3.475 1.00 0.00 N ATOM 342 CA GLN A 18 0.782 -9.517 4.699 1.00 0.00 C ATOM 343 C GLN A 18 -0.451 -8.618 4.788 1.00 0.00 C ATOM 344 O GLN A 18 -1.493 -9.035 5.291 1.00 0.00 O ATOM 345 CB GLN A 18 1.680 -9.320 5.926 1.00 0.00 C ATOM 346 CG GLN A 18 2.603 -8.113 5.828 1.00 0.00 C ATOM 347 CD GLN A 18 2.437 -7.158 6.992 1.00 0.00 C ATOM 348 OE1 GLN A 18 3.416 -6.639 7.529 1.00 0.00 O ATOM 349 NE2 GLN A 18 1.192 -6.921 7.389 1.00 0.00 N ATOM 0 H GLN A 18 2.473 -8.909 3.623 1.00 0.00 H new ATOM 0 HA GLN A 18 0.445 -10.553 4.678 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.052 -9.214 6.810 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.284 -10.216 6.070 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.638 -8.454 5.787 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.405 -7.583 4.896 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.411 -7.373 6.915 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.017 -6.287 8.168 1.00 0.00 H new ATOM 358 N VAL A 19 -0.336 -7.389 4.282 1.00 0.00 N ATOM 359 CA VAL A 19 -1.461 -6.456 4.299 1.00 0.00 C ATOM 360 C VAL A 19 -2.649 -7.052 3.550 1.00 0.00 C ATOM 361 O VAL A 19 -3.686 -7.345 4.144 1.00 0.00 O ATOM 362 CB VAL A 19 -1.085 -5.094 3.670 1.00 0.00 C ATOM 363 CG1 VAL A 19 -2.298 -4.181 3.559 1.00 0.00 C ATOM 364 CG2 VAL A 19 0.011 -4.417 4.476 1.00 0.00 C ATOM 0 H VAL A 19 0.516 -7.020 3.860 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.729 -6.286 5.342 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.714 -5.286 2.663 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.000 -3.232 3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.054 -4.655 2.932 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.710 -4.002 4.552 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.262 -3.460 4.018 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.337 -4.251 5.496 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.896 -5.054 4.494 1.00 0.00 H new ATOM 374 N PHE A 20 -2.482 -7.240 2.245 1.00 0.00 N ATOM 375 CA PHE A 20 -3.532 -7.815 1.414 1.00 0.00 C ATOM 376 C PHE A 20 -3.885 -9.233 1.870 1.00 0.00 C ATOM 377 O PHE A 20 -4.922 -9.773 1.488 1.00 0.00 O ATOM 378 CB PHE A 20 -3.091 -7.833 -0.050 1.00 0.00 C ATOM 379 CG PHE A 20 -4.136 -8.365 -0.988 1.00 0.00 C ATOM 380 CD1 PHE A 20 -5.187 -7.563 -1.403 1.00 0.00 C ATOM 381 CD2 PHE A 20 -4.065 -9.667 -1.458 1.00 0.00 C ATOM 382 CE1 PHE A 20 -6.149 -8.050 -2.269 1.00 0.00 C ATOM 383 CE2 PHE A 20 -5.024 -10.159 -2.324 1.00 0.00 C ATOM 384 CZ PHE A 20 -6.067 -9.350 -2.729 1.00 0.00 C ATOM 0 H PHE A 20 -1.628 -7.002 1.740 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.422 -7.194 1.516 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.825 -6.820 -0.353 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.190 -8.440 -0.142 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.256 -6.546 -1.046 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.251 -10.304 -1.144 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.963 -7.415 -2.585 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.957 -11.175 -2.683 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.818 -9.733 -3.404 1.00 0.00 H new ATOM 394 N ARG A 21 -3.019 -9.835 2.686 1.00 0.00 N ATOM 395 CA ARG A 21 -3.251 -11.188 3.186 1.00 0.00 C ATOM 396 C ARG A 21 -4.191 -11.175 4.385 1.00 0.00 C ATOM 397 O ARG A 21 -5.010 -12.078 4.556 1.00 0.00 O ATOM 398 CB ARG A 21 -1.929 -11.846 3.583 1.00 0.00 C ATOM 399 CG ARG A 21 -1.792 -13.280 3.102 1.00 0.00 C ATOM 400 CD ARG A 21 -0.569 -13.456 2.216 1.00 0.00 C ATOM 401 NE ARG A 21 0.046 -14.770 2.386 1.00 0.00 N ATOM 402 CZ ARG A 21 1.293 -15.058 2.018 1.00 0.00 C ATOM 403 NH1 ARG A 21 2.057 -14.129 1.458 1.00 0.00 N ATOM 404 NH2 ARG A 21 1.776 -16.278 2.210 1.00 0.00 N ATOM 0 H ARG A 21 -2.153 -9.407 3.013 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.714 -11.762 2.384 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.105 -11.257 3.181 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.835 -11.826 4.669 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.720 -13.948 3.961 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.687 -13.567 2.550 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.855 -13.322 1.173 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.161 -12.681 2.448 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.512 -15.510 2.811 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.690 -13.189 1.308 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.012 -14.354 1.178 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.192 -16.996 2.640 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.731 -16.499 1.928 1.00 0.00 H new ATOM 418 N ARG A 22 -4.063 -10.147 5.217 1.00 0.00 N ATOM 419 CA ARG A 22 -4.898 -10.020 6.405 1.00 0.00 C ATOM 420 C ARG A 22 -6.371 -9.977 6.022 1.00 0.00 C ATOM 421 O ARG A 22 -7.222 -10.546 6.705 1.00 0.00 O ATOM 422 CB ARG A 22 -4.524 -8.756 7.174 1.00 0.00 C ATOM 423 CG ARG A 22 -3.245 -8.892 7.985 1.00 0.00 C ATOM 424 CD ARG A 22 -3.006 -7.670 8.855 1.00 0.00 C ATOM 425 NE ARG A 22 -3.824 -7.692 10.065 1.00 0.00 N ATOM 426 CZ ARG A 22 -3.913 -6.675 10.918 1.00 0.00 C ATOM 427 NH1 ARG A 22 -3.237 -5.554 10.699 1.00 0.00 N ATOM 428 NH2 ARG A 22 -4.681 -6.779 11.995 1.00 0.00 N ATOM 0 H ARG A 22 -3.390 -9.391 5.091 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.729 -10.889 7.041 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.411 -7.932 6.469 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.343 -8.493 7.844 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.304 -9.781 8.613 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.399 -9.032 7.312 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.952 -7.621 9.130 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.228 -6.769 8.283 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.358 -8.537 10.268 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.645 -5.469 9.873 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.310 -4.778 11.357 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.203 -7.638 12.168 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.750 -6.000 12.650 1.00 0.00 H new ATOM 442 N LYS A 23 -6.658 -9.308 4.914 1.00 0.00 N ATOM 443 CA LYS A 23 -8.023 -9.193 4.417 1.00 0.00 C ATOM 444 C LYS A 23 -8.020 -8.749 2.953 1.00 0.00 C ATOM 445 O LYS A 23 -7.203 -9.227 2.168 1.00 0.00 O ATOM 446 CB LYS A 23 -8.836 -8.235 5.292 1.00 0.00 C ATOM 447 CG LYS A 23 -8.335 -6.800 5.270 1.00 0.00 C ATOM 448 CD LYS A 23 -9.304 -5.841 5.957 1.00 0.00 C ATOM 449 CE LYS A 23 -10.761 -6.172 5.663 1.00 0.00 C ATOM 450 NZ LYS A 23 -11.688 -5.165 6.250 1.00 0.00 N ATOM 0 H LYS A 23 -5.961 -8.835 4.340 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.500 -10.172 4.469 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.875 -8.251 4.962 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.822 -8.598 6.320 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.364 -6.748 5.763 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.185 -6.485 4.237 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.138 -5.872 7.034 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.094 -4.822 5.631 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.912 -6.220 4.585 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.997 -7.159 6.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.613 -5.606 6.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.296 -4.813 7.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.803 -4.372 5.587 1.00 0.00 H new ATOM 464 N GLN A 24 -8.926 -7.849 2.575 1.00 0.00 N ATOM 465 CA GLN A 24 -8.986 -7.387 1.193 1.00 0.00 C ATOM 466 C GLN A 24 -9.447 -5.939 1.108 1.00 0.00 C ATOM 467 O GLN A 24 -8.867 -5.135 0.380 1.00 0.00 O ATOM 468 CB GLN A 24 -9.929 -8.270 0.369 1.00 0.00 C ATOM 469 CG GLN A 24 -9.920 -9.737 0.773 1.00 0.00 C ATOM 470 CD GLN A 24 -8.695 -10.473 0.269 1.00 0.00 C ATOM 471 OE1 GLN A 24 -8.078 -10.073 -0.719 1.00 0.00 O ATOM 472 NE2 GLN A 24 -8.334 -11.556 0.948 1.00 0.00 N ATOM 0 H GLN A 24 -9.618 -7.431 3.197 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.977 -7.454 0.786 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.944 -7.885 0.463 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.655 -8.193 -0.683 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.962 -9.811 1.860 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.816 -10.222 0.385 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.874 -11.852 1.761 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.517 -12.092 0.656 1.00 0.00 H new ATOM 481 N SER A 25 -10.504 -5.617 1.837 1.00 0.00 N ATOM 482 CA SER A 25 -11.057 -4.267 1.818 1.00 0.00 C ATOM 483 C SER A 25 -10.621 -3.446 3.028 1.00 0.00 C ATOM 484 O SER A 25 -11.362 -3.322 4.002 1.00 0.00 O ATOM 485 CB SER A 25 -12.584 -4.327 1.758 1.00 0.00 C ATOM 486 OG SER A 25 -13.126 -3.090 1.331 1.00 0.00 O ATOM 0 H SER A 25 -10.997 -6.268 2.448 1.00 0.00 H new ATOM 0 HA SER A 25 -10.670 -3.772 0.928 1.00 0.00 H new ATOM 0 HB2 SER A 25 -12.893 -5.118 1.075 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.980 -4.581 2.741 1.00 0.00 H new ATOM 0 HG SER A 25 -14.103 -3.155 1.299 1.00 0.00 H new ATOM 492 N LEU A 26 -9.428 -2.862 2.950 1.00 0.00 N ATOM 493 CA LEU A 26 -8.920 -2.027 4.034 1.00 0.00 C ATOM 494 C LEU A 26 -9.637 -0.678 4.027 1.00 0.00 C ATOM 495 O LEU A 26 -9.657 0.015 3.012 1.00 0.00 O ATOM 496 CB LEU A 26 -7.406 -1.811 3.902 1.00 0.00 C ATOM 497 CG LEU A 26 -6.573 -3.062 3.596 1.00 0.00 C ATOM 498 CD1 LEU A 26 -5.122 -2.855 4.012 1.00 0.00 C ATOM 499 CD2 LEU A 26 -7.149 -4.283 4.293 1.00 0.00 C ATOM 0 H LEU A 26 -8.798 -2.951 2.152 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.111 -2.538 4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.231 -1.080 3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.039 -1.372 4.830 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.608 -3.233 2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.547 -3.753 3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.704 -2.010 3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.076 -2.653 5.082 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.540 -5.156 4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.151 -4.120 5.371 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.170 -4.450 3.949 1.00 0.00 H new ATOM 511 N ASN A 27 -10.229 -0.314 5.159 1.00 0.00 N ATOM 512 CA ASN A 27 -10.951 0.956 5.264 1.00 0.00 C ATOM 513 C ASN A 27 -10.059 2.043 5.852 1.00 0.00 C ATOM 514 O ASN A 27 -8.918 1.784 6.229 1.00 0.00 O ATOM 515 CB ASN A 27 -12.228 0.812 6.110 1.00 0.00 C ATOM 516 CG ASN A 27 -12.332 -0.522 6.829 1.00 0.00 C ATOM 517 OD1 ASN A 27 -12.896 -1.481 6.302 1.00 0.00 O ATOM 518 ND2 ASN A 27 -11.786 -0.587 8.038 1.00 0.00 N ATOM 0 H ASN A 27 -10.226 -0.873 6.012 1.00 0.00 H new ATOM 0 HA ASN A 27 -11.241 1.245 4.254 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -12.259 1.616 6.846 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.098 0.937 5.465 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.824 -1.457 8.569 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.328 0.233 8.436 1.00 0.00 H new ATOM 525 N SER A 28 -10.586 3.262 5.924 1.00 0.00 N ATOM 526 CA SER A 28 -9.839 4.398 6.465 1.00 0.00 C ATOM 527 C SER A 28 -9.137 4.025 7.768 1.00 0.00 C ATOM 528 O SER A 28 -8.081 4.566 8.096 1.00 0.00 O ATOM 529 CB SER A 28 -10.776 5.584 6.699 1.00 0.00 C ATOM 530 OG SER A 28 -10.062 6.712 7.176 1.00 0.00 O ATOM 0 H SER A 28 -11.530 3.491 5.614 1.00 0.00 H new ATOM 0 HA SER A 28 -9.079 4.679 5.735 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.285 5.838 5.769 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.546 5.306 7.418 1.00 0.00 H new ATOM 0 HG SER A 28 -10.683 7.457 7.316 1.00 0.00 H new ATOM 536 N LYS A 29 -9.729 3.093 8.504 1.00 0.00 N ATOM 537 CA LYS A 29 -9.164 2.639 9.764 1.00 0.00 C ATOM 538 C LYS A 29 -8.019 1.669 9.516 1.00 0.00 C ATOM 539 O LYS A 29 -6.939 1.805 10.088 1.00 0.00 O ATOM 540 CB LYS A 29 -10.246 1.966 10.604 1.00 0.00 C ATOM 541 CG LYS A 29 -11.291 2.930 11.146 1.00 0.00 C ATOM 542 CD LYS A 29 -10.648 4.126 11.831 1.00 0.00 C ATOM 543 CE LYS A 29 -10.714 5.369 10.958 1.00 0.00 C ATOM 544 NZ LYS A 29 -10.537 6.616 11.754 1.00 0.00 N ATOM 0 H LYS A 29 -10.604 2.636 8.247 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.776 3.502 10.304 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.744 1.208 9.999 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.775 1.448 11.439 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.926 3.275 10.330 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.936 2.408 11.853 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.151 4.318 12.778 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.608 3.898 12.063 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.942 5.315 10.191 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.674 5.400 10.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.588 7.441 11.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.289 6.680 12.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.610 6.598 12.226 1.00 0.00 H new ATOM 558 N GLU A 30 -8.261 0.698 8.648 1.00 0.00 N ATOM 559 CA GLU A 30 -7.253 -0.290 8.307 1.00 0.00 C ATOM 560 C GLU A 30 -6.153 0.356 7.493 1.00 0.00 C ATOM 561 O GLU A 30 -4.983 0.078 7.685 1.00 0.00 O ATOM 562 CB GLU A 30 -7.873 -1.441 7.516 1.00 0.00 C ATOM 563 CG GLU A 30 -8.956 -2.187 8.278 1.00 0.00 C ATOM 564 CD GLU A 30 -8.753 -3.691 8.274 1.00 0.00 C ATOM 565 OE1 GLU A 30 -7.634 -4.141 7.949 1.00 0.00 O ATOM 566 OE2 GLU A 30 -9.715 -4.419 8.597 1.00 0.00 O ATOM 0 H GLU A 30 -9.151 0.575 8.166 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.833 -0.688 9.231 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.295 -1.049 6.591 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.088 -2.143 7.236 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.979 -1.831 9.308 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.927 -1.955 7.839 1.00 0.00 H new ATOM 573 N LYS A 31 -6.538 1.235 6.587 1.00 0.00 N ATOM 574 CA LYS A 31 -5.578 1.928 5.752 1.00 0.00 C ATOM 575 C LYS A 31 -4.595 2.711 6.619 1.00 0.00 C ATOM 576 O LYS A 31 -3.421 2.832 6.286 1.00 0.00 O ATOM 577 CB LYS A 31 -6.314 2.853 4.783 1.00 0.00 C ATOM 578 CG LYS A 31 -6.499 4.269 5.299 1.00 0.00 C ATOM 579 CD LYS A 31 -7.138 5.160 4.252 1.00 0.00 C ATOM 580 CE LYS A 31 -7.508 6.519 4.824 1.00 0.00 C ATOM 581 NZ LYS A 31 -7.230 7.621 3.862 1.00 0.00 N ATOM 0 H LYS A 31 -7.511 1.486 6.411 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.009 1.201 5.172 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.764 2.889 3.843 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.293 2.427 4.563 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.121 4.253 6.194 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.533 4.681 5.589 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.450 5.291 3.416 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.031 4.676 3.857 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.565 6.526 5.088 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.949 6.690 5.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.496 8.531 4.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.216 7.631 3.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.783 7.472 2.994 1.00 0.00 H new ATOM 595 N GLU A 32 -5.089 3.235 7.735 1.00 0.00 N ATOM 596 CA GLU A 32 -4.255 4.000 8.653 1.00 0.00 C ATOM 597 C GLU A 32 -3.625 3.084 9.700 1.00 0.00 C ATOM 598 O GLU A 32 -2.477 3.274 10.100 1.00 0.00 O ATOM 599 CB GLU A 32 -5.088 5.095 9.330 1.00 0.00 C ATOM 600 CG GLU A 32 -6.040 4.578 10.400 1.00 0.00 C ATOM 601 CD GLU A 32 -6.660 5.695 11.216 1.00 0.00 C ATOM 602 OE1 GLU A 32 -7.230 6.627 10.611 1.00 0.00 O ATOM 603 OE2 GLU A 32 -6.575 5.637 12.462 1.00 0.00 O ATOM 0 H GLU A 32 -6.063 3.144 8.025 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.452 4.469 8.085 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.414 5.824 9.780 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.664 5.621 8.569 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.831 3.996 9.927 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.502 3.903 11.065 1.00 0.00 H new ATOM 610 N GLU A 33 -4.391 2.088 10.130 1.00 0.00 N ATOM 611 CA GLU A 33 -3.930 1.128 11.124 1.00 0.00 C ATOM 612 C GLU A 33 -2.928 0.158 10.508 1.00 0.00 C ATOM 613 O GLU A 33 -1.978 -0.279 11.158 1.00 0.00 O ATOM 614 CB GLU A 33 -5.128 0.357 11.676 1.00 0.00 C ATOM 615 CG GLU A 33 -6.053 1.206 12.531 1.00 0.00 C ATOM 616 CD GLU A 33 -5.763 1.077 14.013 1.00 0.00 C ATOM 617 OE1 GLU A 33 -5.865 -0.050 14.542 1.00 0.00 O ATOM 618 OE2 GLU A 33 -5.434 2.102 14.645 1.00 0.00 O ATOM 0 H GLU A 33 -5.343 1.924 9.802 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.435 1.666 11.933 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.696 -0.060 10.844 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.767 -0.483 12.269 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.957 2.251 12.236 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.086 0.915 12.341 1.00 0.00 H new ATOM 625 N VAL A 34 -3.157 -0.164 9.242 1.00 0.00 N ATOM 626 CA VAL A 34 -2.297 -1.075 8.497 1.00 0.00 C ATOM 627 C VAL A 34 -1.055 -0.344 8.001 1.00 0.00 C ATOM 628 O VAL A 34 0.043 -0.900 7.993 1.00 0.00 O ATOM 629 CB VAL A 34 -3.063 -1.690 7.299 1.00 0.00 C ATOM 630 CG1 VAL A 34 -2.156 -2.544 6.428 1.00 0.00 C ATOM 631 CG2 VAL A 34 -4.245 -2.510 7.794 1.00 0.00 C ATOM 0 H VAL A 34 -3.943 0.198 8.703 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.990 -1.880 9.165 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.430 -0.868 6.685 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.731 -2.957 5.599 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.344 -1.931 6.037 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.741 -3.358 7.023 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.774 -2.936 6.942 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.886 -3.313 8.437 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.922 -1.868 8.358 1.00 0.00 H new ATOM 641 N ALA A 35 -1.238 0.905 7.588 1.00 0.00 N ATOM 642 CA ALA A 35 -0.131 1.713 7.091 1.00 0.00 C ATOM 643 C ALA A 35 0.897 2.005 8.182 1.00 0.00 C ATOM 644 O ALA A 35 2.084 2.165 7.899 1.00 0.00 O ATOM 645 CB ALA A 35 -0.647 3.016 6.509 1.00 0.00 C ATOM 0 H ALA A 35 -2.141 1.379 7.587 1.00 0.00 H new ATOM 0 HA ALA A 35 0.365 1.137 6.310 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.192 3.608 6.142 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.328 2.802 5.685 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.176 3.575 7.281 1.00 0.00 H new ATOM 651 N LYS A 36 0.433 2.095 9.422 1.00 0.00 N ATOM 652 CA LYS A 36 1.315 2.395 10.546 1.00 0.00 C ATOM 653 C LYS A 36 1.944 1.137 11.144 1.00 0.00 C ATOM 654 O LYS A 36 2.950 1.218 11.850 1.00 0.00 O ATOM 655 CB LYS A 36 0.542 3.148 11.629 1.00 0.00 C ATOM 656 CG LYS A 36 -0.530 2.309 12.304 1.00 0.00 C ATOM 657 CD LYS A 36 -1.275 3.102 13.365 1.00 0.00 C ATOM 658 CE LYS A 36 -2.179 4.153 12.744 1.00 0.00 C ATOM 659 NZ LYS A 36 -2.728 5.089 13.765 1.00 0.00 N ATOM 0 H LYS A 36 -0.546 1.965 9.676 1.00 0.00 H new ATOM 0 HA LYS A 36 2.125 3.017 10.164 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.243 3.503 12.384 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.077 4.029 11.186 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.236 1.949 11.556 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.072 1.431 12.760 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.871 2.424 13.976 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.559 3.584 14.030 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.620 4.717 11.998 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.001 3.662 12.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.339 5.790 13.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.283 4.554 14.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.945 5.577 14.245 1.00 0.00 H new ATOM 673 N LYS A 37 1.351 -0.021 10.875 1.00 0.00 N ATOM 674 CA LYS A 37 1.870 -1.276 11.411 1.00 0.00 C ATOM 675 C LYS A 37 2.621 -2.073 10.347 1.00 0.00 C ATOM 676 O LYS A 37 3.492 -2.882 10.665 1.00 0.00 O ATOM 677 CB LYS A 37 0.730 -2.113 12.009 1.00 0.00 C ATOM 678 CG LYS A 37 -0.121 -2.845 10.977 1.00 0.00 C ATOM 679 CD LYS A 37 -0.264 -4.323 11.312 1.00 0.00 C ATOM 680 CE LYS A 37 1.090 -4.998 11.486 1.00 0.00 C ATOM 681 NZ LYS A 37 1.300 -6.093 10.500 1.00 0.00 N ATOM 0 H LYS A 37 0.518 -0.118 10.294 1.00 0.00 H new ATOM 0 HA LYS A 37 2.580 -1.033 12.201 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.154 -2.844 12.697 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.085 -1.460 12.597 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.108 -2.386 10.928 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.330 -2.737 9.991 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.845 -4.433 12.227 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.820 -4.823 10.519 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.881 -4.256 11.377 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.167 -5.400 12.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.644 -6.942 10.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.401 -6.309 10.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.002 -5.794 9.794 1.00 0.00 H new ATOM 695 N CYS A 38 2.277 -1.842 9.085 1.00 0.00 N ATOM 696 CA CYS A 38 2.921 -2.543 7.982 1.00 0.00 C ATOM 697 C CYS A 38 4.037 -1.702 7.376 1.00 0.00 C ATOM 698 O CYS A 38 5.025 -2.236 6.871 1.00 0.00 O ATOM 699 CB CYS A 38 1.891 -2.902 6.913 1.00 0.00 C ATOM 700 SG CYS A 38 0.477 -3.831 7.550 1.00 0.00 S ATOM 0 H CYS A 38 1.558 -1.177 8.801 1.00 0.00 H new ATOM 0 HA CYS A 38 3.362 -3.460 8.373 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.531 -1.986 6.445 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.378 -3.488 6.134 1.00 0.00 H new ATOM 0 HG CYS A 38 -0.323 -3.025 8.183 1.00 0.00 H new ATOM 706 N GLY A 39 3.881 -0.384 7.435 1.00 0.00 N ATOM 707 CA GLY A 39 4.895 0.503 6.894 1.00 0.00 C ATOM 708 C GLY A 39 4.401 1.333 5.727 1.00 0.00 C ATOM 709 O GLY A 39 5.198 1.818 4.924 1.00 0.00 O ATOM 0 H GLY A 39 3.074 0.085 7.846 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.244 1.169 7.683 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.752 -0.089 6.573 1.00 0.00 H new ATOM 713 N ILE A 40 3.089 1.516 5.638 1.00 0.00 N ATOM 714 CA ILE A 40 2.505 2.313 4.571 1.00 0.00 C ATOM 715 C ILE A 40 2.016 3.648 5.130 1.00 0.00 C ATOM 716 O ILE A 40 2.407 4.043 6.228 1.00 0.00 O ATOM 717 CB ILE A 40 1.333 1.585 3.862 1.00 0.00 C ATOM 718 CG1 ILE A 40 1.239 0.118 4.288 1.00 0.00 C ATOM 719 CG2 ILE A 40 1.492 1.670 2.351 1.00 0.00 C ATOM 720 CD1 ILE A 40 -0.035 -0.548 3.821 1.00 0.00 C ATOM 0 H ILE A 40 2.412 1.123 6.292 1.00 0.00 H new ATOM 0 HA ILE A 40 3.285 2.479 3.828 1.00 0.00 H new ATOM 0 HB ILE A 40 0.411 2.085 4.159 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.095 -0.427 3.890 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.299 0.056 5.375 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.662 1.154 1.868 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.498 2.716 2.044 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.431 1.201 2.057 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.045 -1.586 4.153 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.894 -0.024 4.240 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.085 -0.514 2.733 1.00 0.00 H new ATOM 732 N THR A 41 1.165 4.342 4.383 1.00 0.00 N ATOM 733 CA THR A 41 0.642 5.629 4.832 1.00 0.00 C ATOM 734 C THR A 41 -0.757 5.877 4.276 1.00 0.00 C ATOM 735 O THR A 41 -1.128 5.325 3.241 1.00 0.00 O ATOM 736 CB THR A 41 1.583 6.762 4.413 1.00 0.00 C ATOM 737 OG1 THR A 41 2.787 6.245 3.873 1.00 0.00 O ATOM 738 CG2 THR A 41 1.955 7.684 5.554 1.00 0.00 C ATOM 0 H THR A 41 0.824 4.039 3.471 1.00 0.00 H new ATOM 0 HA THR A 41 0.578 5.605 5.920 1.00 0.00 H new ATOM 0 HB THR A 41 1.029 7.333 3.668 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.372 6.986 3.611 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.623 8.464 5.189 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.053 8.141 5.962 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.457 7.113 6.335 1.00 0.00 H new ATOM 746 N PRO A 42 -1.555 6.719 4.960 1.00 0.00 N ATOM 747 CA PRO A 42 -2.917 7.041 4.525 1.00 0.00 C ATOM 748 C PRO A 42 -2.971 7.423 3.052 1.00 0.00 C ATOM 749 O PRO A 42 -3.977 7.204 2.379 1.00 0.00 O ATOM 750 CB PRO A 42 -3.293 8.236 5.403 1.00 0.00 C ATOM 751 CG PRO A 42 -2.478 8.067 6.637 1.00 0.00 C ATOM 752 CD PRO A 42 -1.188 7.425 6.203 1.00 0.00 C ATOM 0 HA PRO A 42 -3.594 6.193 4.626 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.068 9.180 4.906 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.359 8.241 5.630 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.293 9.028 7.116 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.998 7.444 7.365 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.409 8.167 6.028 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.808 6.737 6.958 1.00 0.00 H new ATOM 760 N LEU A 43 -1.876 7.990 2.558 1.00 0.00 N ATOM 761 CA LEU A 43 -1.782 8.401 1.163 1.00 0.00 C ATOM 762 C LEU A 43 -1.370 7.225 0.281 1.00 0.00 C ATOM 763 O LEU A 43 -1.703 7.175 -0.905 1.00 0.00 O ATOM 764 CB LEU A 43 -0.777 9.545 1.015 1.00 0.00 C ATOM 765 CG LEU A 43 -0.689 10.158 -0.384 1.00 0.00 C ATOM 766 CD1 LEU A 43 -2.074 10.532 -0.893 1.00 0.00 C ATOM 767 CD2 LEU A 43 0.226 11.373 -0.373 1.00 0.00 C ATOM 0 H LEU A 43 -1.037 8.176 3.107 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.764 8.748 0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.039 10.331 1.723 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.210 9.179 1.296 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.267 9.415 -1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.990 10.966 -1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.699 9.640 -0.937 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.526 11.258 -0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.278 11.798 -1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.168 12.119 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.224 11.074 -0.053 1.00 0.00 H new ATOM 779 N GLN A 44 -0.656 6.270 0.872 1.00 0.00 N ATOM 780 CA GLN A 44 -0.218 5.093 0.137 1.00 0.00 C ATOM 781 C GLN A 44 -1.334 4.067 0.104 1.00 0.00 C ATOM 782 O GLN A 44 -1.806 3.683 -0.956 1.00 0.00 O ATOM 783 CB GLN A 44 1.035 4.483 0.769 1.00 0.00 C ATOM 784 CG GLN A 44 1.995 5.509 1.350 1.00 0.00 C ATOM 785 CD GLN A 44 2.649 6.365 0.283 1.00 0.00 C ATOM 786 OE1 GLN A 44 3.723 6.035 -0.222 1.00 0.00 O ATOM 787 NE2 GLN A 44 2.004 7.471 -0.067 1.00 0.00 N ATOM 0 H GLN A 44 -0.371 6.290 1.851 1.00 0.00 H new ATOM 0 HA GLN A 44 0.030 5.395 -0.881 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.733 3.795 1.558 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.560 3.895 0.016 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.456 6.152 2.046 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.767 4.995 1.922 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.116 7.706 0.377 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.396 8.086 -0.780 1.00 0.00 H new ATOM 796 N VAL A 45 -1.762 3.642 1.283 1.00 0.00 N ATOM 797 CA VAL A 45 -2.837 2.664 1.417 1.00 0.00 C ATOM 798 C VAL A 45 -3.917 2.848 0.354 1.00 0.00 C ATOM 799 O VAL A 45 -4.509 1.883 -0.112 1.00 0.00 O ATOM 800 CB VAL A 45 -3.481 2.773 2.799 1.00 0.00 C ATOM 801 CG1 VAL A 45 -2.495 2.332 3.859 1.00 0.00 C ATOM 802 CG2 VAL A 45 -3.944 4.198 3.057 1.00 0.00 C ATOM 0 H VAL A 45 -1.377 3.962 2.172 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.389 1.679 1.285 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.353 2.121 2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.958 2.411 4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.204 1.297 3.677 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.611 2.969 3.822 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.400 4.259 4.045 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.089 4.873 3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.675 4.485 2.301 1.00 0.00 H new ATOM 812 N ARG A 46 -4.165 4.090 -0.036 1.00 0.00 N ATOM 813 CA ARG A 46 -5.167 4.369 -1.051 1.00 0.00 C ATOM 814 C ARG A 46 -4.606 4.129 -2.453 1.00 0.00 C ATOM 815 O ARG A 46 -5.130 3.311 -3.203 1.00 0.00 O ATOM 816 CB ARG A 46 -5.692 5.801 -0.919 1.00 0.00 C ATOM 817 CG ARG A 46 -4.623 6.835 -0.604 1.00 0.00 C ATOM 818 CD ARG A 46 -4.652 7.990 -1.593 1.00 0.00 C ATOM 819 NE ARG A 46 -6.010 8.478 -1.825 1.00 0.00 N ATOM 820 CZ ARG A 46 -6.357 9.241 -2.859 1.00 0.00 C ATOM 821 NH1 ARG A 46 -5.450 9.610 -3.754 1.00 0.00 N ATOM 822 NH2 ARG A 46 -7.615 9.636 -2.997 1.00 0.00 N ATOM 0 H ARG A 46 -3.690 4.914 0.332 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.001 3.684 -0.896 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.188 6.080 -1.849 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.448 5.827 -0.134 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.772 7.217 0.406 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.641 6.362 -0.625 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.033 8.805 -1.217 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.216 7.669 -2.539 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.734 8.219 -1.155 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.481 9.309 -3.652 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.722 10.195 -4.544 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.316 9.355 -2.311 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.882 10.221 -3.789 1.00 0.00 H new ATOM 836 N VAL A 47 -3.534 4.837 -2.801 1.00 0.00 N ATOM 837 CA VAL A 47 -2.911 4.686 -4.116 1.00 0.00 C ATOM 838 C VAL A 47 -2.236 3.324 -4.258 1.00 0.00 C ATOM 839 O VAL A 47 -2.352 2.655 -5.286 1.00 0.00 O ATOM 840 CB VAL A 47 -1.856 5.782 -4.354 1.00 0.00 C ATOM 841 CG1 VAL A 47 -2.479 7.160 -4.215 1.00 0.00 C ATOM 842 CG2 VAL A 47 -0.690 5.613 -3.388 1.00 0.00 C ATOM 0 H VAL A 47 -3.079 5.519 -2.194 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.707 4.774 -4.855 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.475 5.684 -5.370 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.719 7.922 -4.386 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.278 7.274 -4.947 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.888 7.275 -3.211 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.048 6.395 -3.568 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.053 5.686 -2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.229 4.637 -3.541 1.00 0.00 H new ATOM 852 N TRP A 48 -1.519 2.936 -3.216 1.00 0.00 N ATOM 853 CA TRP A 48 -0.802 1.675 -3.189 1.00 0.00 C ATOM 854 C TRP A 48 -1.764 0.494 -3.323 1.00 0.00 C ATOM 855 O TRP A 48 -1.587 -0.357 -4.195 1.00 0.00 O ATOM 856 CB TRP A 48 0.018 1.583 -1.898 1.00 0.00 C ATOM 857 CG TRP A 48 1.474 1.319 -2.136 1.00 0.00 C ATOM 858 CD1 TRP A 48 2.457 2.254 -2.299 1.00 0.00 C ATOM 859 CD2 TRP A 48 2.114 0.043 -2.239 1.00 0.00 C ATOM 860 NE1 TRP A 48 3.669 1.636 -2.496 1.00 0.00 N ATOM 861 CE2 TRP A 48 3.485 0.279 -2.464 1.00 0.00 C ATOM 862 CE3 TRP A 48 1.664 -1.276 -2.163 1.00 0.00 C ATOM 863 CZ2 TRP A 48 4.405 -0.755 -2.613 1.00 0.00 C ATOM 864 CZ3 TRP A 48 2.578 -2.302 -2.311 1.00 0.00 C ATOM 865 CH2 TRP A 48 3.934 -2.037 -2.534 1.00 0.00 C ATOM 0 H TRP A 48 -1.419 3.489 -2.365 1.00 0.00 H new ATOM 0 HA TRP A 48 -0.122 1.633 -4.040 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.089 2.514 -1.341 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.390 0.789 -1.273 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.304 3.323 -2.276 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.560 2.111 -2.642 1.00 0.00 H new ATOM 0 HE3 TRP A 48 0.620 -1.491 -1.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.452 -0.553 -2.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.240 -3.326 -2.254 1.00 0.00 H new ATOM 0 HH2 TRP A 48 4.623 -2.861 -2.646 1.00 0.00 H new ATOM 876 N PHE A 49 -2.791 0.450 -2.473 1.00 0.00 N ATOM 877 CA PHE A 49 -3.772 -0.628 -2.534 1.00 0.00 C ATOM 878 C PHE A 49 -4.580 -0.550 -3.826 1.00 0.00 C ATOM 879 O PHE A 49 -5.114 -1.549 -4.287 1.00 0.00 O ATOM 880 CB PHE A 49 -4.731 -0.578 -1.340 1.00 0.00 C ATOM 881 CG PHE A 49 -4.080 -0.779 0.004 1.00 0.00 C ATOM 882 CD1 PHE A 49 -2.818 -1.345 0.117 1.00 0.00 C ATOM 883 CD2 PHE A 49 -4.745 -0.402 1.160 1.00 0.00 C ATOM 884 CE1 PHE A 49 -2.236 -1.527 1.358 1.00 0.00 C ATOM 885 CE2 PHE A 49 -4.167 -0.579 2.400 1.00 0.00 C ATOM 886 CZ PHE A 49 -2.912 -1.142 2.501 1.00 0.00 C ATOM 0 H PHE A 49 -2.962 1.141 -1.743 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.220 -1.568 -2.505 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.239 0.386 -1.341 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.496 -1.342 -1.475 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.285 -1.646 -0.773 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.729 0.036 1.089 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.254 -1.970 1.434 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.697 -0.277 3.291 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.458 -1.282 3.471 1.00 0.00 H new ATOM 896 N ILE A 50 -4.677 0.641 -4.411 1.00 0.00 N ATOM 897 CA ILE A 50 -5.432 0.806 -5.650 1.00 0.00 C ATOM 898 C ILE A 50 -4.912 -0.153 -6.722 1.00 0.00 C ATOM 899 O ILE A 50 -5.674 -0.933 -7.296 1.00 0.00 O ATOM 900 CB ILE A 50 -5.372 2.268 -6.161 1.00 0.00 C ATOM 901 CG1 ILE A 50 -6.565 3.064 -5.620 1.00 0.00 C ATOM 902 CG2 ILE A 50 -5.343 2.328 -7.686 1.00 0.00 C ATOM 903 CD1 ILE A 50 -7.892 2.657 -6.223 1.00 0.00 C ATOM 0 H ILE A 50 -4.249 1.495 -4.054 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.475 0.569 -5.438 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.447 2.714 -5.794 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.614 2.938 -4.538 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.399 4.124 -5.811 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.301 3.368 -8.008 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.464 1.798 -8.054 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.243 1.860 -8.086 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.689 3.263 -5.792 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.863 2.809 -7.302 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.081 1.605 -6.010 1.00 0.00 H new ATOM 915 N ASN A 51 -3.609 -0.098 -6.973 1.00 0.00 N ATOM 916 CA ASN A 51 -2.982 -0.966 -7.964 1.00 0.00 C ATOM 917 C ASN A 51 -2.720 -2.351 -7.377 1.00 0.00 C ATOM 918 O ASN A 51 -2.733 -3.352 -8.092 1.00 0.00 O ATOM 919 CB ASN A 51 -1.671 -0.351 -8.455 1.00 0.00 C ATOM 920 CG ASN A 51 -1.852 1.065 -8.965 1.00 0.00 C ATOM 921 OD1 ASN A 51 -2.826 1.371 -9.652 1.00 0.00 O ATOM 922 ND2 ASN A 51 -0.910 1.940 -8.631 1.00 0.00 N ATOM 0 H ASN A 51 -2.965 0.539 -6.504 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.663 -1.068 -8.809 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.946 -0.351 -7.641 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.258 -0.971 -9.251 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.978 2.908 -8.946 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.119 1.644 -8.059 1.00 0.00 H new ATOM 929 N LYS A 52 -2.487 -2.396 -6.069 1.00 0.00 N ATOM 930 CA LYS A 52 -2.226 -3.654 -5.377 1.00 0.00 C ATOM 931 C LYS A 52 -3.514 -4.242 -4.805 1.00 0.00 C ATOM 932 O LYS A 52 -3.477 -5.134 -3.959 1.00 0.00 O ATOM 933 CB LYS A 52 -1.217 -3.432 -4.249 1.00 0.00 C ATOM 934 CG LYS A 52 0.211 -3.257 -4.737 1.00 0.00 C ATOM 935 CD LYS A 52 0.673 -4.456 -5.548 1.00 0.00 C ATOM 936 CE LYS A 52 2.186 -4.480 -5.694 1.00 0.00 C ATOM 937 NZ LYS A 52 2.638 -5.556 -6.618 1.00 0.00 N ATOM 0 H LYS A 52 -2.474 -1.574 -5.466 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.815 -4.359 -6.100 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.509 -2.549 -3.680 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.257 -4.279 -3.565 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.281 -2.356 -5.346 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.874 -3.117 -3.883 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.338 -5.374 -5.065 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.211 -4.429 -6.535 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.530 -3.515 -6.065 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.643 -4.626 -4.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.675 -5.539 -6.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.332 -6.480 -6.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.223 -5.402 -7.559 1.00 0.00 H new ATOM 951 N ARG A 53 -4.651 -3.729 -5.266 1.00 0.00 N ATOM 952 CA ARG A 53 -5.946 -4.188 -4.798 1.00 0.00 C ATOM 953 C ARG A 53 -7.079 -3.468 -5.520 1.00 0.00 C ATOM 954 O ARG A 53 -8.110 -3.170 -4.920 1.00 0.00 O ATOM 955 CB ARG A 53 -6.083 -3.957 -3.294 1.00 0.00 C ATOM 956 CG ARG A 53 -7.335 -4.585 -2.712 1.00 0.00 C ATOM 957 CD ARG A 53 -8.032 -3.649 -1.738 1.00 0.00 C ATOM 958 NE ARG A 53 -8.180 -2.301 -2.283 1.00 0.00 N ATOM 959 CZ ARG A 53 -8.418 -1.222 -1.540 1.00 0.00 C ATOM 960 NH1 ARG A 53 -8.536 -1.328 -0.222 1.00 0.00 N ATOM 961 NH2 ARG A 53 -8.539 -0.035 -2.117 1.00 0.00 N ATOM 0 H ARG A 53 -4.697 -2.990 -5.968 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.013 -5.255 -5.012 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.209 -4.366 -2.788 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.094 -2.885 -3.096 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.020 -4.847 -3.519 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.074 -5.512 -2.202 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.015 -4.050 -1.491 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.463 -3.604 -0.809 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.096 -2.180 -3.292 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.444 -2.239 0.227 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.718 -0.498 0.342 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.450 0.051 -3.129 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.721 0.792 -1.549 1.00 0.00 H new ATOM 975 N MET A 54 -6.887 -3.186 -6.805 1.00 0.00 N ATOM 976 CA MET A 54 -7.909 -2.502 -7.591 1.00 0.00 C ATOM 977 C MET A 54 -9.183 -3.345 -7.653 1.00 0.00 C ATOM 978 O MET A 54 -9.540 -3.879 -8.702 1.00 0.00 O ATOM 979 CB MET A 54 -7.392 -2.217 -9.004 1.00 0.00 C ATOM 980 CG MET A 54 -7.736 -0.824 -9.506 1.00 0.00 C ATOM 981 SD MET A 54 -8.360 -0.826 -11.198 1.00 0.00 S ATOM 982 CE MET A 54 -7.202 -1.943 -11.985 1.00 0.00 C ATOM 0 H MET A 54 -6.039 -3.419 -7.322 1.00 0.00 H new ATOM 0 HA MET A 54 -8.142 -1.553 -7.108 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.309 -2.343 -9.018 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.808 -2.955 -9.690 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.483 -0.380 -8.848 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.849 -0.194 -9.452 1.00 0.00 H new ATOM 0 HE1 MET A 54 -7.112 -1.689 -13.041 1.00 0.00 H new ATOM 0 HE2 MET A 54 -6.227 -1.853 -11.506 1.00 0.00 H new ATOM 0 HE3 MET A 54 -7.561 -2.968 -11.887 1.00 0.00 H new