USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 377 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 46 CYS SG : rot 120:sc= 0.297 USER MOD Set 1.2: A 48 ASN : amide:sc= -0.114 K(o=-6.9,f=-8.8!) USER MOD Set 1.3: A 49 CYS SG : rot -61:sc= -0.701 USER MOD Set 1.4: A 61 HIS : no HD1:sc= -6.01! C(o=-6.9!,f=-7.8!) USER MOD Set 1.5: A 65 CYS SG : rot 86:sc= -0.384 USER MOD Set 2.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 52 ASN : amide:sc= -0.0642 X(o=-0.064,f=0.2) USER MOD Set 3.1: A 20 CYS SG : rot -170:sc= 0.453 USER MOD Set 3.2: A 21 GLN : amide:sc= -4.01! C(o=-6.1!,f=-8.7!) USER MOD Set 3.3: A 22 HIS :FLIP no HE2:sc= -0.696 F(o=-9.7,f=-6.1) USER MOD Set 3.4: A 23 CYS SG : rot -112:sc= -1.26 USER MOD Set 3.5: A 35 HIS : no HE2:sc= -0.387 K(o=-6.1,f=-6.8) USER MOD Set 3.6: A 39 CYS SG : rot 100:sc= -0.16 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -153:sc= -0.225 (180deg=-1.1) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 210 N LEU A 17 -18.478 -9.817 3.661 1.00 0.00 N ATOM 211 CA LEU A 17 -17.587 -8.701 3.961 1.00 0.00 C ATOM 212 C LEU A 17 -16.242 -8.875 3.262 1.00 0.00 C ATOM 213 O LEU A 17 -15.792 -9.996 3.030 1.00 0.00 O ATOM 214 CB LEU A 17 -17.377 -8.582 5.472 1.00 0.00 C ATOM 215 CG LEU A 17 -18.602 -8.170 6.289 1.00 0.00 C ATOM 216 CD1 LEU A 17 -18.296 -8.231 7.777 1.00 0.00 C ATOM 217 CD2 LEU A 17 -19.063 -6.775 5.893 1.00 0.00 C ATOM 0 HA LEU A 17 -18.053 -7.787 3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -17.022 -9.542 5.846 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -16.584 -7.856 5.652 1.00 0.00 H new ATOM 0 HG LEU A 17 -19.409 -8.871 6.076 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -19.179 -7.934 8.343 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -18.015 -9.248 8.049 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -17.474 -7.554 8.007 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -19.936 -6.499 6.485 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -18.260 -6.061 6.075 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -19.324 -6.765 4.835 1.00 0.00 H new ATOM 229 N ALA A 18 -15.605 -7.757 2.930 1.00 0.00 N ATOM 230 CA ALA A 18 -14.310 -7.785 2.261 1.00 0.00 C ATOM 231 C ALA A 18 -13.227 -7.161 3.135 1.00 0.00 C ATOM 232 O ALA A 18 -13.396 -6.059 3.657 1.00 0.00 O ATOM 233 CB ALA A 18 -14.391 -7.066 0.923 1.00 0.00 C ATOM 0 H ALA A 18 -15.965 -6.820 3.113 1.00 0.00 H new ATOM 0 HA ALA A 18 -14.042 -8.827 2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.417 -7.095 0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -15.129 -7.558 0.290 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -14.685 -6.029 1.084 1.00 0.00 H new ATOM 239 N VAL A 19 -12.116 -7.873 3.291 1.00 0.00 N ATOM 240 CA VAL A 19 -11.005 -7.388 4.101 1.00 0.00 C ATOM 241 C VAL A 19 -9.858 -6.898 3.224 1.00 0.00 C ATOM 242 O VAL A 19 -9.511 -7.530 2.226 1.00 0.00 O ATOM 243 CB VAL A 19 -10.481 -8.484 5.048 1.00 0.00 C ATOM 244 CG1 VAL A 19 -9.332 -7.955 5.893 1.00 0.00 C ATOM 245 CG2 VAL A 19 -11.605 -9.008 5.930 1.00 0.00 C ATOM 0 H VAL A 19 -11.961 -8.788 2.867 1.00 0.00 H new ATOM 0 HA VAL A 19 -11.385 -6.557 4.695 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.107 -9.312 4.446 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.975 -8.743 6.556 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.520 -7.633 5.242 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.677 -7.109 6.488 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.217 -9.782 6.593 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.011 -8.190 6.525 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -12.393 -9.428 5.304 1.00 0.00 H new ATOM 255 N CYS A 20 -9.271 -5.768 3.604 1.00 0.00 N ATOM 256 CA CYS A 20 -8.162 -5.192 2.854 1.00 0.00 C ATOM 257 C CYS A 20 -6.905 -6.043 3.002 1.00 0.00 C ATOM 258 O CYS A 20 -6.795 -6.850 3.924 1.00 0.00 O ATOM 259 CB CYS A 20 -7.884 -3.764 3.330 1.00 0.00 C ATOM 260 SG CYS A 20 -6.761 -2.825 2.246 1.00 0.00 S ATOM 0 H CYS A 20 -9.545 -5.233 4.428 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.442 -5.169 1.801 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.830 -3.228 3.408 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.456 -3.803 4.332 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.417 -1.717 2.833 1.00 0.00 H new ATOM 265 N GLN A 21 -5.959 -5.856 2.087 1.00 0.00 N ATOM 266 CA GLN A 21 -4.709 -6.607 2.116 1.00 0.00 C ATOM 267 C GLN A 21 -3.573 -5.751 2.665 1.00 0.00 C ATOM 268 O GLN A 21 -2.547 -6.272 3.105 1.00 0.00 O ATOM 269 CB GLN A 21 -4.357 -7.105 0.713 1.00 0.00 C ATOM 270 CG GLN A 21 -3.871 -6.006 -0.219 1.00 0.00 C ATOM 271 CD GLN A 21 -2.366 -5.829 -0.178 1.00 0.00 C ATOM 272 OE1 GLN A 21 -1.737 -6.006 0.866 1.00 0.00 O ATOM 273 NE2 GLN A 21 -1.780 -5.478 -1.316 1.00 0.00 N ATOM 0 H GLN A 21 -6.034 -5.191 1.317 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.844 -7.465 2.775 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.585 -7.871 0.791 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.234 -7.580 0.274 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.178 -6.238 -1.239 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -4.351 -5.066 0.053 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.340 -5.342 -2.157 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -0.769 -5.344 -1.349 1.00 0.00 H new ATOM 282 N HIS A 22 -3.761 -4.436 2.637 1.00 0.00 N ATOM 283 CA HIS A 22 -2.751 -3.508 3.132 1.00 0.00 C ATOM 284 C HIS A 22 -2.916 -3.275 4.631 1.00 0.00 C ATOM 285 O HIS A 22 -1.996 -3.520 5.413 1.00 0.00 O ATOM 286 CB HIS A 22 -2.841 -2.177 2.385 1.00 0.00 C ATOM 287 CG HIS A 22 -2.888 -2.328 0.896 1.00 0.00 C ATOM 288 ND1 HIS A 22 -3.939 -2.454 0.052 1.00 0.00 N flip ATOM 289 CD2 HIS A 22 -1.758 -2.365 0.106 1.00 0.00 C flip ATOM 290 CE1 HIS A 22 -3.430 -2.562 -1.219 1.00 0.00 C flip ATOM 291 NE2 HIS A 22 -2.112 -2.506 -1.159 1.00 0.00 N flip ATOM 0 H HIS A 22 -4.604 -3.989 2.277 1.00 0.00 H new ATOM 0 HA HIS A 22 -1.770 -3.949 2.956 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -3.732 -1.643 2.716 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.983 -1.561 2.653 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -4.925 -2.466 0.312 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -0.742 -2.290 0.465 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -4.013 -2.674 -2.121 1.00 0.00 H new ATOM 299 N CYS A 23 -4.093 -2.800 5.025 1.00 0.00 N ATOM 300 CA CYS A 23 -4.379 -2.533 6.430 1.00 0.00 C ATOM 301 C CYS A 23 -4.907 -3.785 7.125 1.00 0.00 C ATOM 302 O CYS A 23 -4.796 -3.924 8.343 1.00 0.00 O ATOM 303 CB CYS A 23 -5.395 -1.397 6.558 1.00 0.00 C ATOM 304 SG CYS A 23 -7.059 -1.815 5.943 1.00 0.00 S ATOM 0 H CYS A 23 -4.864 -2.592 4.391 1.00 0.00 H new ATOM 0 HA CYS A 23 -3.449 -2.235 6.915 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.469 -1.106 7.606 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -5.025 -0.529 6.012 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.316 -1.116 4.878 1.00 0.00 H new ATOM 309 N ASP A 24 -5.481 -4.691 6.342 1.00 0.00 N ATOM 310 CA ASP A 24 -6.026 -5.932 6.882 1.00 0.00 C ATOM 311 C ASP A 24 -7.135 -5.646 7.889 1.00 0.00 C ATOM 312 O ASP A 24 -7.170 -6.230 8.973 1.00 0.00 O ATOM 313 CB ASP A 24 -4.919 -6.755 7.543 1.00 0.00 C ATOM 314 CG ASP A 24 -4.244 -7.704 6.572 1.00 0.00 C ATOM 315 OD1 ASP A 24 -4.220 -7.397 5.361 1.00 0.00 O ATOM 316 OD2 ASP A 24 -3.738 -8.752 7.023 1.00 0.00 O ATOM 0 H ASP A 24 -5.581 -4.590 5.332 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.449 -6.504 6.056 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.173 -6.082 7.966 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.340 -7.326 8.371 1.00 0.00 H new ATOM 321 N LEU A 25 -8.039 -4.744 7.525 1.00 0.00 N ATOM 322 CA LEU A 25 -9.150 -4.379 8.397 1.00 0.00 C ATOM 323 C LEU A 25 -10.480 -4.835 7.805 1.00 0.00 C ATOM 324 O LEU A 25 -10.638 -4.898 6.587 1.00 0.00 O ATOM 325 CB LEU A 25 -9.172 -2.866 8.622 1.00 0.00 C ATOM 326 CG LEU A 25 -10.115 -2.363 9.716 1.00 0.00 C ATOM 327 CD1 LEU A 25 -9.510 -2.595 11.091 1.00 0.00 C ATOM 328 CD2 LEU A 25 -10.431 -0.889 9.512 1.00 0.00 C ATOM 0 H LEU A 25 -8.025 -4.252 6.632 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.008 -4.881 9.354 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.160 -2.540 8.864 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.446 -2.383 7.684 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.046 -2.926 9.652 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.195 -2.231 11.856 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.337 -3.661 11.237 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.564 -2.060 11.167 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.103 -0.549 10.300 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.508 -0.311 9.548 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.909 -0.750 8.542 1.00 0.00 H new ATOM 340 N GLU A 26 -11.433 -5.150 8.677 1.00 0.00 N ATOM 341 CA GLU A 26 -12.749 -5.599 8.239 1.00 0.00 C ATOM 342 C GLU A 26 -13.598 -4.421 7.770 1.00 0.00 C ATOM 343 O GLU A 26 -13.711 -3.409 8.463 1.00 0.00 O ATOM 344 CB GLU A 26 -13.464 -6.337 9.374 1.00 0.00 C ATOM 345 CG GLU A 26 -14.423 -7.412 8.891 1.00 0.00 C ATOM 346 CD GLU A 26 -15.592 -7.617 9.834 1.00 0.00 C ATOM 347 OE1 GLU A 26 -16.007 -6.637 10.488 1.00 0.00 O ATOM 348 OE2 GLU A 26 -16.093 -8.758 9.919 1.00 0.00 O ATOM 0 H GLU A 26 -11.318 -5.103 9.689 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.611 -6.282 7.401 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.719 -6.793 10.026 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.015 -5.614 9.976 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.800 -7.141 7.905 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.883 -8.352 8.779 1.00 0.00 H new ATOM 355 N LEU A 27 -14.191 -4.560 6.590 1.00 0.00 N ATOM 356 CA LEU A 27 -15.030 -3.507 6.027 1.00 0.00 C ATOM 357 C LEU A 27 -16.066 -4.090 5.071 1.00 0.00 C ATOM 358 O LEU A 27 -16.001 -5.265 4.710 1.00 0.00 O ATOM 359 CB LEU A 27 -14.167 -2.478 5.295 1.00 0.00 C ATOM 360 CG LEU A 27 -13.586 -1.356 6.156 1.00 0.00 C ATOM 361 CD1 LEU A 27 -12.224 -1.753 6.703 1.00 0.00 C ATOM 362 CD2 LEU A 27 -13.485 -0.066 5.354 1.00 0.00 C ATOM 0 H LEU A 27 -14.107 -5.391 6.004 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.554 -3.016 6.847 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.342 -3.002 4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.766 -2.028 4.503 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.257 -1.186 6.998 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.826 -0.942 7.313 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.325 -2.651 7.313 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.543 -1.952 5.875 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.070 0.722 5.983 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.836 -0.223 4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.477 0.228 5.012 1.00 0.00 H new ATOM 374 N SER A 28 -17.021 -3.260 4.664 1.00 0.00 N ATOM 375 CA SER A 28 -18.073 -3.692 3.752 1.00 0.00 C ATOM 376 C SER A 28 -17.538 -3.822 2.329 1.00 0.00 C ATOM 377 O SER A 28 -16.770 -2.980 1.864 1.00 0.00 O ATOM 378 CB SER A 28 -19.241 -2.705 3.782 1.00 0.00 C ATOM 379 OG SER A 28 -20.188 -3.066 4.773 1.00 0.00 O ATOM 0 H SER A 28 -17.088 -2.284 4.952 1.00 0.00 H new ATOM 0 HA SER A 28 -18.425 -4.670 4.080 1.00 0.00 H new ATOM 0 HB2 SER A 28 -18.867 -1.700 3.980 1.00 0.00 H new ATOM 0 HB3 SER A 28 -19.724 -2.678 2.805 1.00 0.00 H new ATOM 0 HG SER A 28 -20.924 -2.419 4.773 1.00 0.00 H new ATOM 385 N ILE A 29 -17.951 -4.883 1.643 1.00 0.00 N ATOM 386 CA ILE A 29 -17.515 -5.123 0.273 1.00 0.00 C ATOM 387 C ILE A 29 -17.819 -3.924 -0.619 1.00 0.00 C ATOM 388 O ILE A 29 -17.184 -3.732 -1.657 1.00 0.00 O ATOM 389 CB ILE A 29 -18.188 -6.374 -0.321 1.00 0.00 C ATOM 390 CG1 ILE A 29 -17.763 -6.566 -1.778 1.00 0.00 C ATOM 391 CG2 ILE A 29 -19.702 -6.262 -0.215 1.00 0.00 C ATOM 392 CD1 ILE A 29 -18.253 -7.862 -2.385 1.00 0.00 C ATOM 0 H ILE A 29 -18.587 -5.589 2.014 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.437 -5.282 0.308 1.00 0.00 H new ATOM 0 HB ILE A 29 -17.867 -7.246 0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -18.139 -5.732 -2.370 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -16.675 -6.535 -1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -20.163 -7.154 -0.639 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -19.987 -6.169 0.833 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -20.041 -5.383 -0.763 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -17.914 -7.931 -3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -17.856 -8.703 -1.817 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -19.342 -7.888 -2.358 1.00 0.00 H new ATOM 404 N LEU A 30 -18.792 -3.119 -0.207 1.00 0.00 N ATOM 405 CA LEU A 30 -19.179 -1.936 -0.967 1.00 0.00 C ATOM 406 C LEU A 30 -18.148 -0.824 -0.807 1.00 0.00 C ATOM 407 O LEU A 30 -17.805 -0.137 -1.770 1.00 0.00 O ATOM 408 CB LEU A 30 -20.554 -1.442 -0.513 1.00 0.00 C ATOM 409 CG LEU A 30 -21.756 -2.026 -1.256 1.00 0.00 C ATOM 410 CD1 LEU A 30 -21.699 -1.664 -2.732 1.00 0.00 C ATOM 411 CD2 LEU A 30 -21.812 -3.536 -1.077 1.00 0.00 C ATOM 0 H LEU A 30 -19.327 -3.264 0.649 1.00 0.00 H new ATOM 0 HA LEU A 30 -19.228 -2.211 -2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -20.665 -1.664 0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -20.580 -0.357 -0.616 1.00 0.00 H new ATOM 0 HG LEU A 30 -22.664 -1.596 -0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -22.562 -2.088 -3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -21.709 -0.580 -2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -20.785 -2.064 -3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -22.674 -3.934 -1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -20.900 -3.983 -1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -21.902 -3.774 -0.017 1.00 0.00 H new ATOM 423 N LYS A 31 -17.654 -0.653 0.415 1.00 0.00 N ATOM 424 CA LYS A 31 -16.659 0.373 0.702 1.00 0.00 C ATOM 425 C LYS A 31 -15.268 -0.084 0.275 1.00 0.00 C ATOM 426 O LYS A 31 -14.501 0.686 -0.306 1.00 0.00 O ATOM 427 CB LYS A 31 -16.661 0.711 2.194 1.00 0.00 C ATOM 428 CG LYS A 31 -17.760 1.680 2.597 1.00 0.00 C ATOM 429 CD LYS A 31 -19.104 0.982 2.709 1.00 0.00 C ATOM 430 CE LYS A 31 -20.206 1.954 3.104 1.00 0.00 C ATOM 431 NZ LYS A 31 -20.160 2.284 4.556 1.00 0.00 N ATOM 0 H LYS A 31 -17.927 -1.213 1.223 1.00 0.00 H new ATOM 0 HA LYS A 31 -16.919 1.266 0.133 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -16.772 -0.210 2.766 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -15.695 1.138 2.462 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.508 2.141 3.552 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -17.826 2.483 1.863 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -19.353 0.515 1.756 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -19.040 0.183 3.448 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -20.109 2.869 2.520 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -21.176 1.521 2.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -20.926 2.949 4.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -20.278 1.414 5.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -19.244 2.720 4.784 1.00 0.00 H new ATOM 445 N LEU A 32 -14.948 -1.341 0.565 1.00 0.00 N ATOM 446 CA LEU A 32 -13.649 -1.901 0.210 1.00 0.00 C ATOM 447 C LEU A 32 -13.136 -1.302 -1.096 1.00 0.00 C ATOM 448 O LEU A 32 -11.947 -1.019 -1.237 1.00 0.00 O ATOM 449 CB LEU A 32 -13.745 -3.422 0.083 1.00 0.00 C ATOM 450 CG LEU A 32 -12.539 -4.122 -0.544 1.00 0.00 C ATOM 451 CD1 LEU A 32 -11.521 -4.492 0.523 1.00 0.00 C ATOM 452 CD2 LEU A 32 -12.980 -5.357 -1.315 1.00 0.00 C ATOM 0 H LEU A 32 -15.570 -1.991 1.045 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.945 -1.652 1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -13.906 -3.840 1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.628 -3.662 -0.510 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.066 -3.432 -1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.670 -4.989 0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.181 -3.589 1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.981 -5.163 1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.108 -5.842 -1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.478 -6.050 -0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.670 -5.065 -2.107 1.00 0.00 H new ATOM 464 N LYS A 33 -14.043 -1.111 -2.049 1.00 0.00 N ATOM 465 CA LYS A 33 -13.684 -0.542 -3.343 1.00 0.00 C ATOM 466 C LYS A 33 -13.046 0.833 -3.176 1.00 0.00 C ATOM 467 O LYS A 33 -11.869 1.022 -3.482 1.00 0.00 O ATOM 468 CB LYS A 33 -14.922 -0.436 -4.237 1.00 0.00 C ATOM 469 CG LYS A 33 -14.608 -0.506 -5.721 1.00 0.00 C ATOM 470 CD LYS A 33 -14.201 -1.909 -6.140 1.00 0.00 C ATOM 471 CE LYS A 33 -13.314 -1.886 -7.375 1.00 0.00 C ATOM 472 NZ LYS A 33 -13.020 -3.259 -7.872 1.00 0.00 N ATOM 0 H LYS A 33 -15.032 -1.342 -1.949 1.00 0.00 H new ATOM 0 HA LYS A 33 -12.958 -1.205 -3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -15.614 -1.239 -3.982 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.433 0.504 -4.026 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -15.481 -0.193 -6.294 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -13.805 0.192 -5.957 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -13.673 -2.396 -5.320 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -15.093 -2.503 -6.342 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.802 -1.312 -8.162 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -12.379 -1.376 -7.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.413 -3.201 -8.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.531 -3.800 -7.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.910 -3.737 -8.119 1.00 0.00 H new ATOM 486 N GLU A 34 -13.830 1.789 -2.687 1.00 0.00 N ATOM 487 CA GLU A 34 -13.339 3.146 -2.478 1.00 0.00 C ATOM 488 C GLU A 34 -12.193 3.161 -1.470 1.00 0.00 C ATOM 489 O GLU A 34 -11.177 3.826 -1.679 1.00 0.00 O ATOM 490 CB GLU A 34 -14.472 4.052 -1.993 1.00 0.00 C ATOM 491 CG GLU A 34 -15.110 3.587 -0.695 1.00 0.00 C ATOM 492 CD GLU A 34 -16.260 4.475 -0.259 1.00 0.00 C ATOM 493 OE1 GLU A 34 -16.148 5.709 -0.410 1.00 0.00 O ATOM 494 OE2 GLU A 34 -17.272 3.934 0.233 1.00 0.00 O ATOM 0 H GLU A 34 -14.807 1.649 -2.428 1.00 0.00 H new ATOM 0 HA GLU A 34 -12.966 3.521 -3.431 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -14.085 5.062 -1.856 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.239 4.106 -2.766 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.471 2.566 -0.817 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -14.354 3.566 0.090 1.00 0.00 H new ATOM 501 N HIS A 35 -12.364 2.425 -0.377 1.00 0.00 N ATOM 502 CA HIS A 35 -11.345 2.353 0.664 1.00 0.00 C ATOM 503 C HIS A 35 -9.992 1.967 0.074 1.00 0.00 C ATOM 504 O HIS A 35 -9.052 2.761 0.082 1.00 0.00 O ATOM 505 CB HIS A 35 -11.753 1.344 1.738 1.00 0.00 C ATOM 506 CG HIS A 35 -10.598 0.814 2.530 1.00 0.00 C ATOM 507 ND1 HIS A 35 -10.047 1.486 3.600 1.00 0.00 N ATOM 508 CD2 HIS A 35 -9.890 -0.334 2.404 1.00 0.00 C ATOM 509 CE1 HIS A 35 -9.050 0.777 4.097 1.00 0.00 C ATOM 510 NE2 HIS A 35 -8.934 -0.332 3.390 1.00 0.00 N ATOM 0 H HIS A 35 -13.199 1.870 -0.189 1.00 0.00 H new ATOM 0 HA HIS A 35 -11.255 3.340 1.119 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -12.463 1.816 2.417 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -12.271 0.510 1.264 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -10.361 2.390 3.953 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -10.048 -1.107 1.666 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.434 1.057 4.939 1.00 0.00 H new ATOM 518 N GLU A 36 -9.902 0.743 -0.436 1.00 0.00 N ATOM 519 CA GLU A 36 -8.663 0.252 -1.028 1.00 0.00 C ATOM 520 C GLU A 36 -7.938 1.368 -1.775 1.00 0.00 C ATOM 521 O GLU A 36 -6.742 1.586 -1.578 1.00 0.00 O ATOM 522 CB GLU A 36 -8.952 -0.910 -1.981 1.00 0.00 C ATOM 523 CG GLU A 36 -8.858 -2.275 -1.321 1.00 0.00 C ATOM 524 CD GLU A 36 -7.475 -2.886 -1.437 1.00 0.00 C ATOM 525 OE1 GLU A 36 -6.484 -2.151 -1.243 1.00 0.00 O ATOM 526 OE2 GLU A 36 -7.384 -4.098 -1.721 1.00 0.00 O ATOM 0 H GLU A 36 -10.671 0.074 -0.451 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.020 -0.100 -0.222 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.951 -0.786 -2.400 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.250 -0.869 -2.814 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.124 -2.184 -0.268 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.587 -2.946 -1.777 1.00 0.00 H new ATOM 533 N ASP A 37 -8.670 2.070 -2.634 1.00 0.00 N ATOM 534 CA ASP A 37 -8.098 3.163 -3.410 1.00 0.00 C ATOM 535 C ASP A 37 -7.355 4.142 -2.506 1.00 0.00 C ATOM 536 O ASP A 37 -6.264 4.606 -2.839 1.00 0.00 O ATOM 537 CB ASP A 37 -9.195 3.896 -4.184 1.00 0.00 C ATOM 538 CG ASP A 37 -9.433 3.299 -5.557 1.00 0.00 C ATOM 539 OD1 ASP A 37 -9.361 2.059 -5.685 1.00 0.00 O ATOM 540 OD2 ASP A 37 -9.692 4.072 -6.503 1.00 0.00 O ATOM 0 H ASP A 37 -9.660 1.901 -2.810 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.386 2.739 -4.118 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.122 3.865 -3.612 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.921 4.946 -4.290 1.00 0.00 H new ATOM 545 N TYR A 38 -7.954 4.453 -1.362 1.00 0.00 N ATOM 546 CA TYR A 38 -7.351 5.379 -0.411 1.00 0.00 C ATOM 547 C TYR A 38 -6.237 4.700 0.380 1.00 0.00 C ATOM 548 O TYR A 38 -5.126 5.221 0.483 1.00 0.00 O ATOM 549 CB TYR A 38 -8.413 5.923 0.547 1.00 0.00 C ATOM 550 CG TYR A 38 -8.020 7.223 1.211 1.00 0.00 C ATOM 551 CD1 TYR A 38 -7.733 8.353 0.455 1.00 0.00 C ATOM 552 CD2 TYR A 38 -7.936 7.322 2.594 1.00 0.00 C ATOM 553 CE1 TYR A 38 -7.373 9.543 1.057 1.00 0.00 C ATOM 554 CE2 TYR A 38 -7.578 8.508 3.205 1.00 0.00 C ATOM 555 CZ TYR A 38 -7.298 9.616 2.432 1.00 0.00 C ATOM 556 OH TYR A 38 -6.940 10.799 3.037 1.00 0.00 O ATOM 0 H TYR A 38 -8.857 4.077 -1.071 1.00 0.00 H new ATOM 0 HA TYR A 38 -6.920 6.207 -0.973 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.343 6.072 -0.001 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.612 5.177 1.317 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -7.792 8.300 -0.622 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.154 6.457 3.202 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.152 10.411 0.454 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.518 8.568 4.282 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.936 10.681 4.010 1.00 0.00 H new ATOM 566 N CYS A 39 -6.542 3.533 0.937 1.00 0.00 N ATOM 567 CA CYS A 39 -5.569 2.780 1.719 1.00 0.00 C ATOM 568 C CYS A 39 -4.191 2.830 1.065 1.00 0.00 C ATOM 569 O CYS A 39 -3.191 3.115 1.722 1.00 0.00 O ATOM 570 CB CYS A 39 -6.021 1.326 1.871 1.00 0.00 C ATOM 571 SG CYS A 39 -5.383 0.502 3.365 1.00 0.00 S ATOM 0 H CYS A 39 -7.457 3.088 0.861 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.501 3.237 2.706 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -7.110 1.295 1.889 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.701 0.764 0.994 1.00 0.00 H new ATOM 0 HG CYS A 39 -6.303 0.495 4.283 1.00 0.00 H new ATOM 576 N GLY A 40 -4.147 2.550 -0.234 1.00 0.00 N ATOM 577 CA GLY A 40 -2.888 2.568 -0.955 1.00 0.00 C ATOM 578 C GLY A 40 -2.355 3.973 -1.154 1.00 0.00 C ATOM 579 O GLY A 40 -1.153 4.210 -1.041 1.00 0.00 O ATOM 0 H GLY A 40 -4.961 2.311 -0.800 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.152 1.977 -0.410 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.022 2.092 -1.927 1.00 0.00 H new ATOM 583 N ALA A 41 -3.251 4.907 -1.455 1.00 0.00 N ATOM 584 CA ALA A 41 -2.864 6.296 -1.671 1.00 0.00 C ATOM 585 C ALA A 41 -1.913 6.777 -0.580 1.00 0.00 C ATOM 586 O ALA A 41 -0.946 7.487 -0.856 1.00 0.00 O ATOM 587 CB ALA A 41 -4.097 7.185 -1.727 1.00 0.00 C ATOM 0 H ALA A 41 -4.250 4.727 -1.555 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.341 6.357 -2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.793 8.219 -1.889 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.740 6.864 -2.546 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.643 7.110 -0.786 1.00 0.00 H new ATOM 593 N ARG A 42 -2.194 6.385 0.658 1.00 0.00 N ATOM 594 CA ARG A 42 -1.363 6.778 1.790 1.00 0.00 C ATOM 595 C ARG A 42 0.103 6.449 1.529 1.00 0.00 C ATOM 596 O ARG A 42 0.420 5.518 0.788 1.00 0.00 O ATOM 597 CB ARG A 42 -1.836 6.076 3.065 1.00 0.00 C ATOM 598 CG ARG A 42 -3.266 6.415 3.453 1.00 0.00 C ATOM 599 CD ARG A 42 -3.750 5.550 4.606 1.00 0.00 C ATOM 600 NE ARG A 42 -5.133 5.846 4.969 1.00 0.00 N ATOM 601 CZ ARG A 42 -5.486 6.849 5.765 1.00 0.00 C ATOM 602 NH1 ARG A 42 -4.561 7.648 6.279 1.00 0.00 N ATOM 603 NH2 ARG A 42 -6.765 7.054 6.049 1.00 0.00 N ATOM 0 H ARG A 42 -2.990 5.796 0.903 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.457 7.856 1.921 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.752 4.998 2.929 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.172 6.346 3.886 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.328 7.466 3.734 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.920 6.276 2.593 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.664 4.499 4.331 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.106 5.707 5.472 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.869 5.250 4.590 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.576 7.493 6.063 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.834 8.418 6.890 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.479 6.441 5.656 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.034 7.825 6.660 1.00 0.00 H new ATOM 617 N THR A 43 0.996 7.220 2.144 1.00 0.00 N ATOM 618 CA THR A 43 2.429 7.012 1.977 1.00 0.00 C ATOM 619 C THR A 43 3.121 6.843 3.324 1.00 0.00 C ATOM 620 O THR A 43 2.783 7.520 4.294 1.00 0.00 O ATOM 621 CB THR A 43 3.082 8.184 1.220 1.00 0.00 C ATOM 622 OG1 THR A 43 2.809 9.416 1.897 1.00 0.00 O ATOM 623 CG2 THR A 43 2.568 8.259 -0.209 1.00 0.00 C ATOM 0 H THR A 43 0.751 7.994 2.762 1.00 0.00 H new ATOM 0 HA THR A 43 2.550 6.100 1.393 1.00 0.00 H new ATOM 0 HB THR A 43 4.159 8.016 1.192 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.229 10.156 1.411 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.043 9.094 -0.723 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.804 7.331 -0.730 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.488 8.406 -0.200 1.00 0.00 H new ATOM 631 N GLU A 44 4.090 5.935 3.377 1.00 0.00 N ATOM 632 CA GLU A 44 4.829 5.678 4.608 1.00 0.00 C ATOM 633 C GLU A 44 6.269 6.170 4.491 1.00 0.00 C ATOM 634 O GLU A 44 6.726 6.535 3.407 1.00 0.00 O ATOM 635 CB GLU A 44 4.815 4.183 4.935 1.00 0.00 C ATOM 636 CG GLU A 44 3.492 3.697 5.504 1.00 0.00 C ATOM 637 CD GLU A 44 3.334 4.029 6.976 1.00 0.00 C ATOM 638 OE1 GLU A 44 3.725 5.146 7.377 1.00 0.00 O ATOM 639 OE2 GLU A 44 2.820 3.173 7.726 1.00 0.00 O ATOM 0 H GLU A 44 4.382 5.365 2.583 1.00 0.00 H new ATOM 0 HA GLU A 44 4.341 6.224 5.415 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.040 3.619 4.030 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.609 3.969 5.650 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.672 4.147 4.944 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.417 2.618 5.368 1.00 0.00 H new ATOM 646 N LEU A 45 6.978 6.178 5.614 1.00 0.00 N ATOM 647 CA LEU A 45 8.366 6.626 5.639 1.00 0.00 C ATOM 648 C LEU A 45 9.321 5.437 5.697 1.00 0.00 C ATOM 649 O LEU A 45 9.382 4.724 6.699 1.00 0.00 O ATOM 650 CB LEU A 45 8.604 7.544 6.839 1.00 0.00 C ATOM 651 CG LEU A 45 10.066 7.838 7.179 1.00 0.00 C ATOM 652 CD1 LEU A 45 10.733 8.606 6.049 1.00 0.00 C ATOM 653 CD2 LEU A 45 10.164 8.614 8.485 1.00 0.00 C ATOM 0 H LEU A 45 6.615 5.879 6.519 1.00 0.00 H new ATOM 0 HA LEU A 45 8.560 7.180 4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.097 8.491 6.653 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.131 7.096 7.713 1.00 0.00 H new ATOM 0 HG LEU A 45 10.588 6.889 7.303 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.772 8.806 6.309 1.00 0.00 H new ATOM 0 HD12 LEU A 45 10.695 8.014 5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.210 9.549 5.892 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.211 8.814 8.711 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.626 9.557 8.389 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.725 8.027 9.291 1.00 0.00 H new ATOM 665 N CYS A 46 10.065 5.230 4.616 1.00 0.00 N ATOM 666 CA CYS A 46 11.019 4.130 4.542 1.00 0.00 C ATOM 667 C CYS A 46 12.219 4.389 5.448 1.00 0.00 C ATOM 668 O CYS A 46 12.503 5.531 5.808 1.00 0.00 O ATOM 669 CB CYS A 46 11.488 3.929 3.100 1.00 0.00 C ATOM 670 SG CYS A 46 12.610 2.512 2.873 1.00 0.00 S ATOM 0 H CYS A 46 10.026 5.810 3.778 1.00 0.00 H new ATOM 0 HA CYS A 46 10.518 3.224 4.883 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.615 3.794 2.461 1.00 0.00 H new ATOM 0 HB3 CYS A 46 11.992 4.835 2.764 1.00 0.00 H new ATOM 0 HG CYS A 46 12.080 1.668 2.038 1.00 0.00 H new ATOM 675 N GLY A 47 12.921 3.320 5.811 1.00 0.00 N ATOM 676 CA GLY A 47 14.083 3.453 6.671 1.00 0.00 C ATOM 677 C GLY A 47 15.383 3.461 5.892 1.00 0.00 C ATOM 678 O GLY A 47 16.349 4.109 6.292 1.00 0.00 O ATOM 0 H GLY A 47 12.706 2.365 5.525 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.002 4.375 7.246 1.00 0.00 H new ATOM 0 HA3 GLY A 47 14.097 2.631 7.387 1.00 0.00 H new ATOM 682 N ASN A 48 15.408 2.739 4.777 1.00 0.00 N ATOM 683 CA ASN A 48 16.600 2.664 3.941 1.00 0.00 C ATOM 684 C ASN A 48 16.823 3.974 3.192 1.00 0.00 C ATOM 685 O ASN A 48 17.813 4.670 3.416 1.00 0.00 O ATOM 686 CB ASN A 48 16.479 1.509 2.945 1.00 0.00 C ATOM 687 CG ASN A 48 17.829 0.947 2.544 1.00 0.00 C ATOM 688 OD1 ASN A 48 18.796 1.025 3.301 1.00 0.00 O ATOM 689 ND2 ASN A 48 17.900 0.375 1.347 1.00 0.00 N ATOM 0 H ASN A 48 14.616 2.197 4.431 1.00 0.00 H new ATOM 0 HA ASN A 48 17.457 2.487 4.590 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.874 0.716 3.385 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.953 1.854 2.055 1.00 0.00 H new ATOM 0 HD21 ASN A 48 18.782 -0.022 1.023 1.00 0.00 H new ATOM 0 HD22 ASN A 48 17.073 0.333 0.752 1.00 0.00 H new ATOM 696 N CYS A 49 15.893 4.305 2.301 1.00 0.00 N ATOM 697 CA CYS A 49 15.986 5.532 1.519 1.00 0.00 C ATOM 698 C CYS A 49 15.519 6.734 2.334 1.00 0.00 C ATOM 699 O CYS A 49 16.161 7.784 2.336 1.00 0.00 O ATOM 700 CB CYS A 49 15.151 5.412 0.242 1.00 0.00 C ATOM 701 SG CYS A 49 13.364 5.221 0.539 1.00 0.00 S ATOM 0 H CYS A 49 15.067 3.740 2.103 1.00 0.00 H new ATOM 0 HA CYS A 49 17.031 5.683 1.249 1.00 0.00 H new ATOM 0 HB2 CYS A 49 15.314 6.298 -0.371 1.00 0.00 H new ATOM 0 HB3 CYS A 49 15.507 4.557 -0.333 1.00 0.00 H new ATOM 0 HG CYS A 49 13.151 4.133 1.217 1.00 0.00 H new ATOM 706 N GLY A 50 14.396 6.572 3.027 1.00 0.00 N ATOM 707 CA GLY A 50 13.862 7.651 3.837 1.00 0.00 C ATOM 708 C GLY A 50 12.953 8.573 3.049 1.00 0.00 C ATOM 709 O GLY A 50 13.009 9.793 3.204 1.00 0.00 O ATOM 0 H GLY A 50 13.847 5.713 3.042 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.308 7.231 4.677 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.686 8.229 4.256 1.00 0.00 H new ATOM 713 N ARG A 51 12.114 7.989 2.199 1.00 0.00 N ATOM 714 CA ARG A 51 11.192 8.767 1.381 1.00 0.00 C ATOM 715 C ARG A 51 9.759 8.272 1.557 1.00 0.00 C ATOM 716 O ARG A 51 9.517 7.264 2.219 1.00 0.00 O ATOM 717 CB ARG A 51 11.592 8.687 -0.094 1.00 0.00 C ATOM 718 CG ARG A 51 13.046 9.050 -0.351 1.00 0.00 C ATOM 719 CD ARG A 51 13.231 9.663 -1.730 1.00 0.00 C ATOM 720 NE ARG A 51 14.625 9.622 -2.164 1.00 0.00 N ATOM 721 CZ ARG A 51 15.178 8.572 -2.761 1.00 0.00 C ATOM 722 NH1 ARG A 51 14.459 7.483 -2.994 1.00 0.00 N ATOM 723 NH2 ARG A 51 16.453 8.611 -3.127 1.00 0.00 N ATOM 0 H ARG A 51 12.054 6.980 2.059 1.00 0.00 H new ATOM 0 HA ARG A 51 11.243 9.805 1.709 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.409 7.676 -0.457 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.952 9.354 -0.672 1.00 0.00 H new ATOM 0 HG2 ARG A 51 13.387 9.753 0.409 1.00 0.00 H new ATOM 0 HG3 ARG A 51 13.666 8.158 -0.262 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.611 9.129 -2.450 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.886 10.697 -1.717 1.00 0.00 H new ATOM 0 HE ARG A 51 15.206 10.444 -2.000 1.00 0.00 H new ATOM 0 HH11 ARG A 51 13.479 7.450 -2.715 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.886 6.678 -3.453 1.00 0.00 H new ATOM 0 HH21 ARG A 51 17.009 9.448 -2.950 1.00 0.00 H new ATOM 0 HH22 ARG A 51 16.877 7.804 -3.585 1.00 0.00 H new ATOM 737 N ASN A 52 8.813 8.990 0.961 1.00 0.00 N ATOM 738 CA ASN A 52 7.404 8.625 1.053 1.00 0.00 C ATOM 739 C ASN A 52 7.024 7.640 -0.048 1.00 0.00 C ATOM 740 O ASN A 52 7.199 7.920 -1.234 1.00 0.00 O ATOM 741 CB ASN A 52 6.525 9.874 0.961 1.00 0.00 C ATOM 742 CG ASN A 52 6.310 10.531 2.311 1.00 0.00 C ATOM 743 OD1 ASN A 52 6.719 11.671 2.531 1.00 0.00 O ATOM 744 ND2 ASN A 52 5.667 9.811 3.223 1.00 0.00 N ATOM 0 H ASN A 52 8.996 9.828 0.409 1.00 0.00 H new ATOM 0 HA ASN A 52 7.241 8.145 2.018 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.986 10.590 0.281 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.559 9.605 0.533 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.494 10.199 4.150 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.346 8.870 2.996 1.00 0.00 H new ATOM 751 N VAL A 53 6.503 6.485 0.353 1.00 0.00 N ATOM 752 CA VAL A 53 6.096 5.458 -0.600 1.00 0.00 C ATOM 753 C VAL A 53 4.660 5.013 -0.348 1.00 0.00 C ATOM 754 O VAL A 53 4.248 4.824 0.798 1.00 0.00 O ATOM 755 CB VAL A 53 7.022 4.229 -0.530 1.00 0.00 C ATOM 756 CG1 VAL A 53 6.557 3.154 -1.500 1.00 0.00 C ATOM 757 CG2 VAL A 53 8.461 4.631 -0.816 1.00 0.00 C ATOM 0 H VAL A 53 6.353 6.237 1.331 1.00 0.00 H new ATOM 0 HA VAL A 53 6.167 5.902 -1.593 1.00 0.00 H new ATOM 0 HB VAL A 53 6.977 3.818 0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 53 7.223 2.294 -1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.543 2.847 -1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.571 3.550 -2.516 1.00 0.00 H new ATOM 0 HG21 VAL A 53 9.102 3.751 -0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 53 8.526 5.067 -1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 53 8.788 5.363 -0.078 1.00 0.00 H new ATOM 767 N LEU A 54 3.901 4.846 -1.425 1.00 0.00 N ATOM 768 CA LEU A 54 2.509 4.422 -1.322 1.00 0.00 C ATOM 769 C LEU A 54 2.403 3.058 -0.648 1.00 0.00 C ATOM 770 O LEU A 54 3.136 2.128 -0.987 1.00 0.00 O ATOM 771 CB LEU A 54 1.867 4.369 -2.710 1.00 0.00 C ATOM 772 CG LEU A 54 1.978 5.641 -3.550 1.00 0.00 C ATOM 773 CD1 LEU A 54 1.926 5.308 -5.033 1.00 0.00 C ATOM 774 CD2 LEU A 54 0.874 6.622 -3.182 1.00 0.00 C ATOM 0 H LEU A 54 4.226 4.998 -2.380 1.00 0.00 H new ATOM 0 HA LEU A 54 1.978 5.151 -0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.321 3.549 -3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.811 4.127 -2.591 1.00 0.00 H new ATOM 0 HG LEU A 54 2.939 6.110 -3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.006 6.226 -5.615 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.753 4.644 -5.286 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.981 4.815 -5.262 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.969 7.522 -3.790 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.097 6.162 -3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.958 6.886 -2.128 1.00 0.00 H new ATOM 786 N VAL A 55 1.486 2.945 0.307 1.00 0.00 N ATOM 787 CA VAL A 55 1.282 1.693 1.027 1.00 0.00 C ATOM 788 C VAL A 55 1.289 0.504 0.073 1.00 0.00 C ATOM 789 O VAL A 55 1.940 -0.509 0.331 1.00 0.00 O ATOM 790 CB VAL A 55 -0.046 1.705 1.807 1.00 0.00 C ATOM 791 CG1 VAL A 55 -0.259 0.377 2.518 1.00 0.00 C ATOM 792 CG2 VAL A 55 -0.072 2.859 2.797 1.00 0.00 C ATOM 0 H VAL A 55 0.872 3.705 0.600 1.00 0.00 H new ATOM 0 HA VAL A 55 2.107 1.594 1.732 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.862 1.846 1.099 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.202 0.404 3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.287 -0.428 1.784 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.560 0.203 3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.018 2.852 3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.752 2.752 3.503 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.031 3.802 2.260 1.00 0.00 H new ATOM 802 N LYS A 56 0.560 0.633 -1.030 1.00 0.00 N ATOM 803 CA LYS A 56 0.482 -0.430 -2.025 1.00 0.00 C ATOM 804 C LYS A 56 1.864 -0.756 -2.583 1.00 0.00 C ATOM 805 O LYS A 56 2.175 -1.915 -2.858 1.00 0.00 O ATOM 806 CB LYS A 56 -0.457 -0.024 -3.163 1.00 0.00 C ATOM 807 CG LYS A 56 -0.003 1.218 -3.911 1.00 0.00 C ATOM 808 CD LYS A 56 0.899 0.866 -5.082 1.00 0.00 C ATOM 809 CE LYS A 56 0.094 0.578 -6.339 1.00 0.00 C ATOM 810 NZ LYS A 56 -0.304 -0.854 -6.428 1.00 0.00 N ATOM 0 H LYS A 56 0.014 1.464 -1.258 1.00 0.00 H new ATOM 0 HA LYS A 56 0.087 -1.321 -1.537 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.541 -0.852 -3.867 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.453 0.150 -2.756 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.874 1.764 -4.273 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.528 1.881 -3.228 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.589 1.688 -5.271 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.503 -0.005 -4.828 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.798 1.204 -6.350 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.683 0.846 -7.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.425 -1.119 -7.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.435 -1.447 -6.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.200 -0.997 -5.920 1.00 0.00 H new ATOM 824 N ASP A 57 2.688 0.273 -2.745 1.00 0.00 N ATOM 825 CA ASP A 57 4.038 0.096 -3.268 1.00 0.00 C ATOM 826 C ASP A 57 4.958 -0.500 -2.206 1.00 0.00 C ATOM 827 O ASP A 57 5.802 -1.346 -2.504 1.00 0.00 O ATOM 828 CB ASP A 57 4.599 1.433 -3.755 1.00 0.00 C ATOM 829 CG ASP A 57 5.667 1.260 -4.817 1.00 0.00 C ATOM 830 OD1 ASP A 57 6.841 1.046 -4.449 1.00 0.00 O ATOM 831 OD2 ASP A 57 5.328 1.338 -6.016 1.00 0.00 O ATOM 0 H ASP A 57 2.445 1.238 -2.522 1.00 0.00 H new ATOM 0 HA ASP A 57 3.988 -0.595 -4.109 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.787 2.040 -4.156 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.017 1.978 -2.909 1.00 0.00 H new ATOM 836 N LEU A 58 4.790 -0.052 -0.967 1.00 0.00 N ATOM 837 CA LEU A 58 5.606 -0.540 0.140 1.00 0.00 C ATOM 838 C LEU A 58 5.828 -2.045 0.031 1.00 0.00 C ATOM 839 O LEU A 58 6.813 -2.577 0.543 1.00 0.00 O ATOM 840 CB LEU A 58 4.939 -0.206 1.476 1.00 0.00 C ATOM 841 CG LEU A 58 5.187 1.203 2.017 1.00 0.00 C ATOM 842 CD1 LEU A 58 4.156 1.556 3.077 1.00 0.00 C ATOM 843 CD2 LEU A 58 6.596 1.317 2.580 1.00 0.00 C ATOM 0 H LEU A 58 4.097 0.648 -0.703 1.00 0.00 H new ATOM 0 HA LEU A 58 6.576 -0.045 0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.864 -0.348 1.368 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.282 -0.925 2.220 1.00 0.00 H new ATOM 0 HG LEU A 58 5.088 1.911 1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.348 2.562 3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.158 1.515 2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.222 0.844 3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.755 2.326 2.961 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.723 0.599 3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.320 1.108 1.793 1.00 0.00 H new ATOM 855 N LYS A 59 4.906 -2.726 -0.641 1.00 0.00 N ATOM 856 CA LYS A 59 5.001 -4.170 -0.821 1.00 0.00 C ATOM 857 C LYS A 59 6.195 -4.531 -1.699 1.00 0.00 C ATOM 858 O LYS A 59 6.984 -5.415 -1.361 1.00 0.00 O ATOM 859 CB LYS A 59 3.714 -4.713 -1.445 1.00 0.00 C ATOM 860 CG LYS A 59 3.439 -6.168 -1.104 1.00 0.00 C ATOM 861 CD LYS A 59 4.135 -7.108 -2.074 1.00 0.00 C ATOM 862 CE LYS A 59 4.320 -8.492 -1.471 1.00 0.00 C ATOM 863 NZ LYS A 59 3.028 -9.222 -1.347 1.00 0.00 N ATOM 0 H LYS A 59 4.084 -2.301 -1.070 1.00 0.00 H new ATOM 0 HA LYS A 59 5.142 -4.625 0.160 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.873 -4.105 -1.110 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.773 -4.607 -2.528 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.777 -6.375 -0.089 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.365 -6.351 -1.126 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.551 -7.184 -2.991 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.106 -6.696 -2.348 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.005 -9.070 -2.092 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.781 -8.401 -0.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.198 -10.160 -0.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.383 -8.684 -0.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.600 -9.332 -2.288 1.00 0.00 H new ATOM 877 N THR A 60 6.324 -3.841 -2.828 1.00 0.00 N ATOM 878 CA THR A 60 7.422 -4.088 -3.755 1.00 0.00 C ATOM 879 C THR A 60 8.366 -2.894 -3.820 1.00 0.00 C ATOM 880 O THR A 60 9.160 -2.767 -4.753 1.00 0.00 O ATOM 881 CB THR A 60 6.902 -4.396 -5.172 1.00 0.00 C ATOM 882 OG1 THR A 60 6.082 -3.319 -5.637 1.00 0.00 O ATOM 883 CG2 THR A 60 6.104 -5.691 -5.187 1.00 0.00 C ATOM 0 H THR A 60 5.681 -3.106 -3.123 1.00 0.00 H new ATOM 0 HA THR A 60 7.964 -4.955 -3.379 1.00 0.00 H new ATOM 0 HB THR A 60 7.761 -4.510 -5.833 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.757 -3.521 -6.539 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.747 -5.887 -6.198 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.740 -6.514 -4.861 1.00 0.00 H new ATOM 0 HG23 THR A 60 5.252 -5.601 -4.513 1.00 0.00 H new ATOM 891 N HIS A 61 8.276 -2.019 -2.823 1.00 0.00 N ATOM 892 CA HIS A 61 9.125 -0.834 -2.767 1.00 0.00 C ATOM 893 C HIS A 61 10.565 -1.212 -2.436 1.00 0.00 C ATOM 894 O HIS A 61 11.518 -0.691 -3.015 1.00 0.00 O ATOM 895 CB HIS A 61 8.592 0.152 -1.727 1.00 0.00 C ATOM 896 CG HIS A 61 9.601 1.172 -1.296 1.00 0.00 C ATOM 897 ND1 HIS A 61 10.209 2.046 -2.173 1.00 0.00 N ATOM 898 CD2 HIS A 61 10.106 1.457 -0.073 1.00 0.00 C ATOM 899 CE1 HIS A 61 11.046 2.822 -1.508 1.00 0.00 C ATOM 900 NE2 HIS A 61 11.002 2.485 -0.232 1.00 0.00 N ATOM 0 H HIS A 61 7.624 -2.108 -2.044 1.00 0.00 H new ATOM 0 HA HIS A 61 9.109 -0.360 -3.748 1.00 0.00 H new ATOM 0 HB2 HIS A 61 7.722 0.665 -2.137 1.00 0.00 H new ATOM 0 HB3 HIS A 61 8.252 -0.403 -0.853 1.00 0.00 H new ATOM 0 HD2 HIS A 61 9.851 0.967 0.855 1.00 0.00 H new ATOM 0 HE1 HIS A 61 11.662 3.600 -1.935 1.00 0.00 H new ATOM 0 HE2 HIS A 61 11.546 2.918 0.514 1.00 0.00 H new ATOM 908 N PRO A 62 10.729 -2.140 -1.481 1.00 0.00 N ATOM 909 CA PRO A 62 12.050 -2.608 -1.052 1.00 0.00 C ATOM 910 C PRO A 62 12.951 -2.964 -2.230 1.00 0.00 C ATOM 911 O PRO A 62 14.174 -2.865 -2.139 1.00 0.00 O ATOM 912 CB PRO A 62 11.732 -3.857 -0.225 1.00 0.00 C ATOM 913 CG PRO A 62 10.346 -3.638 0.275 1.00 0.00 C ATOM 914 CD PRO A 62 9.638 -2.804 -0.749 1.00 0.00 C ATOM 0 HA PRO A 62 12.594 -1.841 -0.500 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.796 -4.760 -0.832 1.00 0.00 H new ATOM 0 HB3 PRO A 62 12.436 -3.976 0.599 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.833 -4.589 0.419 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.360 -3.133 1.241 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.028 -3.418 -1.412 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.971 -2.079 -0.282 1.00 0.00 H new ATOM 922 N GLU A 63 12.337 -3.378 -3.334 1.00 0.00 N ATOM 923 CA GLU A 63 13.085 -3.749 -4.529 1.00 0.00 C ATOM 924 C GLU A 63 13.524 -2.509 -5.303 1.00 0.00 C ATOM 925 O GLU A 63 14.683 -2.389 -5.700 1.00 0.00 O ATOM 926 CB GLU A 63 12.238 -4.652 -5.429 1.00 0.00 C ATOM 927 CG GLU A 63 12.593 -4.549 -6.902 1.00 0.00 C ATOM 928 CD GLU A 63 13.945 -5.158 -7.220 1.00 0.00 C ATOM 929 OE1 GLU A 63 14.909 -4.883 -6.475 1.00 0.00 O ATOM 930 OE2 GLU A 63 14.040 -5.908 -8.214 1.00 0.00 O ATOM 0 H GLU A 63 11.325 -3.465 -3.425 1.00 0.00 H new ATOM 0 HA GLU A 63 13.975 -4.294 -4.214 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.357 -5.686 -5.107 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.186 -4.397 -5.299 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.825 -5.049 -7.493 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.592 -3.500 -7.200 1.00 0.00 H new ATOM 937 N VAL A 64 12.588 -1.589 -5.514 1.00 0.00 N ATOM 938 CA VAL A 64 12.877 -0.357 -6.239 1.00 0.00 C ATOM 939 C VAL A 64 13.578 0.657 -5.343 1.00 0.00 C ATOM 940 O VAL A 64 14.054 1.692 -5.811 1.00 0.00 O ATOM 941 CB VAL A 64 11.592 0.275 -6.805 1.00 0.00 C ATOM 942 CG1 VAL A 64 10.868 -0.707 -7.713 1.00 0.00 C ATOM 943 CG2 VAL A 64 10.684 0.738 -5.675 1.00 0.00 C ATOM 0 H VAL A 64 11.623 -1.673 -5.193 1.00 0.00 H new ATOM 0 HA VAL A 64 13.536 -0.623 -7.065 1.00 0.00 H new ATOM 0 HB VAL A 64 11.868 1.146 -7.399 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.963 -0.242 -8.103 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.519 -0.985 -8.542 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.602 -1.599 -7.146 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.781 1.182 -6.093 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.414 -0.115 -5.052 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.206 1.479 -5.069 1.00 0.00 H new ATOM 953 N CYS A 65 13.637 0.354 -4.050 1.00 0.00 N ATOM 954 CA CYS A 65 14.280 1.239 -3.086 1.00 0.00 C ATOM 955 C CYS A 65 15.799 1.112 -3.158 1.00 0.00 C ATOM 956 O CYS A 65 16.328 0.055 -3.501 1.00 0.00 O ATOM 957 CB CYS A 65 13.797 0.921 -1.670 1.00 0.00 C ATOM 958 SG CYS A 65 14.602 1.911 -0.369 1.00 0.00 S ATOM 0 H CYS A 65 13.247 -0.498 -3.646 1.00 0.00 H new ATOM 0 HA CYS A 65 14.007 2.265 -3.334 1.00 0.00 H new ATOM 0 HB2 CYS A 65 12.720 1.082 -1.620 1.00 0.00 H new ATOM 0 HB3 CYS A 65 13.971 -0.136 -1.467 1.00 0.00 H new ATOM 0 HG CYS A 65 13.965 3.035 -0.222 1.00 0.00 H new ATOM 963 N GLY A 66 16.495 2.197 -2.833 1.00 0.00 N ATOM 964 CA GLY A 66 17.946 2.186 -2.867 1.00 0.00 C ATOM 965 C GLY A 66 18.490 1.652 -4.177 1.00 0.00 C ATOM 966 O GLY A 66 19.488 0.930 -4.194 1.00 0.00 O ATOM 0 H GLY A 66 16.080 3.084 -2.547 1.00 0.00 H new ATOM 0 HA2 GLY A 66 18.318 3.198 -2.708 1.00 0.00 H new ATOM 0 HA3 GLY A 66 18.321 1.576 -2.045 1.00 0.00 H new