USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 605 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 103 ASN : amide:sc= -0.84 X(o=-0.84,f=-0.45) USER MOD Set 1.2: A 106 LYS NZ :NH3+ 157:sc= 0 (180deg=0) USER MOD Set 2.1: A 44 TYR OH : rot -60:sc= -1.45 USER MOD Set 2.2: A 89 THR OG1 : rot 151:sc= 0.111 USER MOD Single : A 13 LYS NZ :NH3+ 167:sc=-0.00788 (180deg=-0.152) USER MOD Single : A 16 LYS NZ :NH3+ 152:sc= -0.0634 (180deg=-0.451) USER MOD Single : A 18 GLN : amide:sc= -2.68! C(o=-2.7!,f=-2.8!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 161:sc= -0.0188 (180deg=-0.784) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -5.67! C(o=-5.7!,f=-13!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 87:sc= 1.06 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot -17:sc= -0.156 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.778 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -142:sc= -0.148 (180deg=-0.966) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= -0.0128 USER MOD Single : A 107 TYR OH : rot 110:sc= -0.184 USER MOD Single : A 108 LYS NZ :NH3+ 170:sc=-0.00226 (180deg=-0.0435) USER MOD ----------------------------------------------------------------- ATOM 192 N LYS A 13 1.531 -0.745 12.046 1.00 0.00 N ATOM 193 CA LYS A 13 1.528 -1.227 10.668 1.00 0.00 C ATOM 194 C LYS A 13 0.480 -0.481 9.845 1.00 0.00 C ATOM 195 O LYS A 13 -0.594 -0.148 10.347 1.00 0.00 O ATOM 196 CB LYS A 13 1.241 -2.736 10.641 1.00 0.00 C ATOM 197 CG LYS A 13 1.013 -3.306 9.246 1.00 0.00 C ATOM 198 CD LYS A 13 2.286 -3.913 8.678 1.00 0.00 C ATOM 199 CE LYS A 13 2.633 -5.223 9.364 1.00 0.00 C ATOM 200 NZ LYS A 13 1.682 -6.310 9.003 1.00 0.00 N ATOM 0 HA LYS A 13 2.510 -1.043 10.231 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.077 -3.261 11.103 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.361 -2.938 11.252 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.232 -4.066 9.285 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.657 -2.517 8.583 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.163 -4.083 7.608 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.110 -3.210 8.797 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.645 -5.520 9.088 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.626 -5.079 10.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.070 -7.226 9.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.771 -6.146 9.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.540 -6.319 7.973 1.00 0.00 H new ATOM 214 N PRO A 14 0.786 -0.197 8.563 1.00 0.00 N ATOM 215 CA PRO A 14 -0.131 0.525 7.678 1.00 0.00 C ATOM 216 C PRO A 14 -1.449 -0.216 7.499 1.00 0.00 C ATOM 217 O PRO A 14 -1.552 -1.405 7.798 1.00 0.00 O ATOM 218 CB PRO A 14 0.626 0.612 6.347 1.00 0.00 C ATOM 219 CG PRO A 14 2.055 0.363 6.689 1.00 0.00 C ATOM 220 CD PRO A 14 2.047 -0.545 7.885 1.00 0.00 C ATOM 0 HA PRO A 14 -0.400 1.501 8.081 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.257 -0.127 5.636 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.497 1.591 5.885 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.581 -0.099 5.853 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.570 1.297 6.913 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.071 -1.595 7.594 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.911 -0.373 8.527 1.00 0.00 H new ATOM 228 N VAL A 15 -2.462 0.503 7.030 1.00 0.00 N ATOM 229 CA VAL A 15 -3.783 -0.077 6.833 1.00 0.00 C ATOM 230 C VAL A 15 -3.823 -1.018 5.629 1.00 0.00 C ATOM 231 O VAL A 15 -3.622 -0.602 4.479 1.00 0.00 O ATOM 232 CB VAL A 15 -4.859 1.017 6.671 1.00 0.00 C ATOM 233 CG1 VAL A 15 -4.824 1.981 7.847 1.00 0.00 C ATOM 234 CG2 VAL A 15 -4.684 1.758 5.356 1.00 0.00 C ATOM 0 H VAL A 15 -2.393 1.489 6.779 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.000 -0.659 7.729 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.836 0.535 6.656 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.590 2.745 7.714 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.013 1.435 8.771 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.844 2.455 7.900 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.454 2.524 5.265 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.701 2.227 5.331 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.772 1.055 4.528 1.00 0.00 H new ATOM 244 N LYS A 16 -4.106 -2.289 5.916 1.00 0.00 N ATOM 245 CA LYS A 16 -4.205 -3.323 4.893 1.00 0.00 C ATOM 246 C LYS A 16 -5.649 -3.812 4.802 1.00 0.00 C ATOM 247 O LYS A 16 -6.396 -3.729 5.777 1.00 0.00 O ATOM 248 CB LYS A 16 -3.273 -4.493 5.219 1.00 0.00 C ATOM 249 CG LYS A 16 -3.567 -5.159 6.554 1.00 0.00 C ATOM 250 CD LYS A 16 -3.235 -6.643 6.522 1.00 0.00 C ATOM 251 CE LYS A 16 -2.117 -6.987 7.494 1.00 0.00 C ATOM 252 NZ LYS A 16 -2.478 -6.650 8.899 1.00 0.00 N ATOM 0 H LYS A 16 -4.272 -2.627 6.864 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.903 -2.902 3.934 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.350 -5.238 4.427 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.243 -4.135 5.221 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.989 -4.673 7.340 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.620 -5.026 6.804 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.125 -7.221 6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.941 -6.929 5.512 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.889 -8.051 7.423 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.213 -6.448 7.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.969 -7.282 9.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.215 -5.664 9.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.503 -6.768 9.032 1.00 0.00 H new ATOM 266 N PHE A 17 -6.048 -4.308 3.637 1.00 0.00 N ATOM 267 CA PHE A 17 -7.412 -4.788 3.454 1.00 0.00 C ATOM 268 C PHE A 17 -7.501 -5.822 2.341 1.00 0.00 C ATOM 269 O PHE A 17 -6.555 -6.015 1.581 1.00 0.00 O ATOM 270 CB PHE A 17 -8.343 -3.616 3.140 1.00 0.00 C ATOM 271 CG PHE A 17 -7.835 -2.720 2.046 1.00 0.00 C ATOM 272 CD1 PHE A 17 -8.001 -3.063 0.713 1.00 0.00 C ATOM 273 CD2 PHE A 17 -7.193 -1.530 2.351 1.00 0.00 C ATOM 274 CE1 PHE A 17 -7.539 -2.236 -0.293 1.00 0.00 C ATOM 275 CE2 PHE A 17 -6.727 -0.700 1.350 1.00 0.00 C ATOM 276 CZ PHE A 17 -6.901 -1.052 0.027 1.00 0.00 C ATOM 0 H PHE A 17 -5.453 -4.388 2.812 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.720 -5.265 4.384 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.320 -4.006 2.855 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.487 -3.025 4.044 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -8.497 -3.988 0.458 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.055 -1.248 3.384 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.676 -2.514 -1.328 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.227 0.223 1.602 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.539 -0.403 -0.757 1.00 0.00 H new ATOM 286 N GLN A 18 -8.651 -6.480 2.249 1.00 0.00 N ATOM 287 CA GLN A 18 -8.877 -7.491 1.224 1.00 0.00 C ATOM 288 C GLN A 18 -9.780 -6.942 0.126 1.00 0.00 C ATOM 289 O GLN A 18 -10.858 -6.414 0.403 1.00 0.00 O ATOM 290 CB GLN A 18 -9.506 -8.742 1.839 1.00 0.00 C ATOM 291 CG GLN A 18 -9.114 -10.028 1.134 1.00 0.00 C ATOM 292 CD GLN A 18 -10.308 -10.905 0.818 1.00 0.00 C ATOM 293 OE1 GLN A 18 -11.344 -10.423 0.360 1.00 0.00 O ATOM 294 NE2 GLN A 18 -10.167 -12.200 1.063 1.00 0.00 N ATOM 0 H GLN A 18 -9.443 -6.331 2.874 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.915 -7.759 0.788 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.213 -8.808 2.887 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.591 -8.641 1.817 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.590 -9.786 0.209 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.415 -10.583 1.760 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.289 -12.555 1.443 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.936 -12.842 0.871 1.00 0.00 H new ATOM 303 N LEU A 19 -9.338 -7.063 -1.122 1.00 0.00 N ATOM 304 CA LEU A 19 -10.116 -6.569 -2.253 1.00 0.00 C ATOM 305 C LEU A 19 -10.699 -7.718 -3.074 1.00 0.00 C ATOM 306 O LEU A 19 -11.714 -7.553 -3.751 1.00 0.00 O ATOM 307 CB LEU A 19 -9.254 -5.667 -3.143 1.00 0.00 C ATOM 308 CG LEU A 19 -9.540 -4.167 -3.021 1.00 0.00 C ATOM 309 CD1 LEU A 19 -8.769 -3.388 -4.075 1.00 0.00 C ATOM 310 CD2 LEU A 19 -11.033 -3.894 -3.145 1.00 0.00 C ATOM 0 H LEU A 19 -8.450 -7.496 -1.375 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.946 -5.985 -1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.205 -5.842 -2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.397 -5.965 -4.182 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.210 -3.836 -2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.985 -2.325 -3.972 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.700 -3.555 -3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.068 -3.725 -5.068 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.216 -2.823 -3.056 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.387 -4.243 -4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.566 -4.420 -2.353 1.00 0.00 H new ATOM 322 N GLU A 20 -10.057 -8.882 -3.013 1.00 0.00 N ATOM 323 CA GLU A 20 -10.527 -10.048 -3.756 1.00 0.00 C ATOM 324 C GLU A 20 -10.877 -11.197 -2.815 1.00 0.00 C ATOM 325 O GLU A 20 -10.217 -11.406 -1.800 1.00 0.00 O ATOM 326 CB GLU A 20 -9.468 -10.503 -4.760 1.00 0.00 C ATOM 327 CG GLU A 20 -8.980 -9.393 -5.677 1.00 0.00 C ATOM 328 CD GLU A 20 -9.539 -9.510 -7.082 1.00 0.00 C ATOM 329 OE1 GLU A 20 -8.806 -9.984 -7.975 1.00 0.00 O ATOM 330 OE2 GLU A 20 -10.710 -9.128 -7.288 1.00 0.00 O ATOM 0 H GLU A 20 -9.215 -9.043 -2.460 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.429 -9.758 -4.295 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.617 -10.914 -4.216 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.878 -11.310 -5.367 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.263 -8.428 -5.256 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.891 -9.415 -5.720 1.00 0.00 H new ATOM 337 N ASP A 21 -11.920 -11.940 -3.169 1.00 0.00 N ATOM 338 CA ASP A 21 -12.373 -13.074 -2.368 1.00 0.00 C ATOM 339 C ASP A 21 -11.346 -14.209 -2.364 1.00 0.00 C ATOM 340 O ASP A 21 -11.460 -15.153 -1.582 1.00 0.00 O ATOM 341 CB ASP A 21 -13.713 -13.589 -2.895 1.00 0.00 C ATOM 342 CG ASP A 21 -14.887 -13.083 -2.081 1.00 0.00 C ATOM 343 OD1 ASP A 21 -15.820 -12.506 -2.678 1.00 0.00 O ATOM 344 OD2 ASP A 21 -14.873 -13.263 -0.844 1.00 0.00 O ATOM 0 H ASP A 21 -12.472 -11.776 -4.011 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.494 -12.726 -1.342 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.835 -13.281 -3.933 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.710 -14.679 -2.884 1.00 0.00 H new ATOM 349 N ASP A 22 -10.356 -14.123 -3.248 1.00 0.00 N ATOM 350 CA ASP A 22 -9.329 -15.155 -3.347 1.00 0.00 C ATOM 351 C ASP A 22 -8.244 -14.981 -2.285 1.00 0.00 C ATOM 352 O ASP A 22 -7.337 -15.805 -2.179 1.00 0.00 O ATOM 353 CB ASP A 22 -8.698 -15.137 -4.741 1.00 0.00 C ATOM 354 CG ASP A 22 -9.384 -16.090 -5.699 1.00 0.00 C ATOM 355 OD1 ASP A 22 -8.707 -16.600 -6.616 1.00 0.00 O ATOM 356 OD2 ASP A 22 -10.599 -16.327 -5.533 1.00 0.00 O ATOM 0 H ASP A 22 -10.243 -13.351 -3.905 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.812 -16.117 -3.176 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.744 -14.125 -5.144 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.643 -15.402 -4.663 1.00 0.00 H new ATOM 361 N GLY A 23 -8.343 -13.916 -1.493 1.00 0.00 N ATOM 362 CA GLY A 23 -7.360 -13.682 -0.450 1.00 0.00 C ATOM 363 C GLY A 23 -6.354 -12.606 -0.810 1.00 0.00 C ATOM 364 O GLY A 23 -5.246 -12.585 -0.276 1.00 0.00 O ATOM 0 H GLY A 23 -9.082 -13.215 -1.554 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.874 -13.398 0.468 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.830 -14.612 -0.244 1.00 0.00 H new ATOM 368 N GLU A 24 -6.736 -11.707 -1.711 1.00 0.00 N ATOM 369 CA GLU A 24 -5.849 -10.626 -2.123 1.00 0.00 C ATOM 370 C GLU A 24 -5.877 -9.492 -1.107 1.00 0.00 C ATOM 371 O GLU A 24 -6.913 -8.862 -0.893 1.00 0.00 O ATOM 372 CB GLU A 24 -6.248 -10.098 -3.503 1.00 0.00 C ATOM 373 CG GLU A 24 -6.166 -11.143 -4.604 1.00 0.00 C ATOM 374 CD GLU A 24 -4.811 -11.821 -4.665 1.00 0.00 C ATOM 375 OE1 GLU A 24 -4.497 -12.605 -3.745 1.00 0.00 O ATOM 376 OE2 GLU A 24 -4.064 -11.568 -5.634 1.00 0.00 O ATOM 0 H GLU A 24 -7.648 -11.705 -2.167 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.836 -11.023 -2.178 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.267 -9.713 -3.454 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.602 -9.259 -3.762 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.938 -11.896 -4.444 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.376 -10.671 -5.564 1.00 0.00 H new ATOM 383 N PHE A 25 -4.733 -9.236 -0.482 1.00 0.00 N ATOM 384 CA PHE A 25 -4.632 -8.179 0.514 1.00 0.00 C ATOM 385 C PHE A 25 -3.769 -7.030 0.011 1.00 0.00 C ATOM 386 O PHE A 25 -2.646 -7.234 -0.449 1.00 0.00 O ATOM 387 CB PHE A 25 -4.057 -8.730 1.820 1.00 0.00 C ATOM 388 CG PHE A 25 -5.112 -9.143 2.806 1.00 0.00 C ATOM 389 CD1 PHE A 25 -5.765 -10.357 2.667 1.00 0.00 C ATOM 390 CD2 PHE A 25 -5.454 -8.319 3.867 1.00 0.00 C ATOM 391 CE1 PHE A 25 -6.740 -10.742 3.566 1.00 0.00 C ATOM 392 CE2 PHE A 25 -6.428 -8.699 4.770 1.00 0.00 C ATOM 393 CZ PHE A 25 -7.073 -9.913 4.620 1.00 0.00 C ATOM 0 H PHE A 25 -3.865 -9.745 -0.648 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.636 -7.798 0.699 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.423 -9.588 1.596 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.420 -7.973 2.276 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.508 -11.010 1.846 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.954 -7.370 3.989 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -7.242 -11.691 3.445 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.686 -8.048 5.593 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.835 -10.212 5.325 1.00 0.00 H new ATOM 403 N TYR A 26 -4.303 -5.820 0.107 1.00 0.00 N ATOM 404 CA TYR A 26 -3.593 -4.628 -0.328 1.00 0.00 C ATOM 405 C TYR A 26 -3.434 -3.650 0.825 1.00 0.00 C ATOM 406 O TYR A 26 -4.072 -3.790 1.867 1.00 0.00 O ATOM 407 CB TYR A 26 -4.328 -3.951 -1.481 1.00 0.00 C ATOM 408 CG TYR A 26 -4.351 -4.773 -2.748 1.00 0.00 C ATOM 409 CD1 TYR A 26 -3.407 -4.564 -3.745 1.00 0.00 C ATOM 410 CD2 TYR A 26 -5.311 -5.757 -2.949 1.00 0.00 C ATOM 411 CE1 TYR A 26 -3.418 -5.311 -4.906 1.00 0.00 C ATOM 412 CE2 TYR A 26 -5.329 -6.510 -4.109 1.00 0.00 C ATOM 413 CZ TYR A 26 -4.380 -6.283 -5.084 1.00 0.00 C ATOM 414 OH TYR A 26 -4.394 -7.030 -6.240 1.00 0.00 O ATOM 0 H TYR A 26 -5.233 -5.639 0.485 1.00 0.00 H new ATOM 0 HA TYR A 26 -2.605 -4.933 -0.673 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -5.353 -3.742 -1.175 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.855 -2.991 -1.689 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.651 -3.804 -3.610 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -6.055 -5.937 -2.187 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -2.677 -5.135 -5.671 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.082 -7.271 -4.251 1.00 0.00 H new ATOM 0 HH TYR A 26 -5.134 -7.671 -6.206 1.00 0.00 H new ATOM 424 N MET A 27 -2.580 -2.661 0.629 1.00 0.00 N ATOM 425 CA MET A 27 -2.330 -1.654 1.648 1.00 0.00 C ATOM 426 C MET A 27 -2.302 -0.265 1.030 1.00 0.00 C ATOM 427 O MET A 27 -1.920 -0.103 -0.131 1.00 0.00 O ATOM 428 CB MET A 27 -1.009 -1.942 2.363 1.00 0.00 C ATOM 429 CG MET A 27 -1.187 -2.640 3.698 1.00 0.00 C ATOM 430 SD MET A 27 0.263 -2.496 4.756 1.00 0.00 S ATOM 431 CE MET A 27 0.987 -4.117 4.555 1.00 0.00 C ATOM 0 H MET A 27 -2.045 -2.533 -0.230 1.00 0.00 H new ATOM 0 HA MET A 27 -3.139 -1.691 2.377 1.00 0.00 H new ATOM 0 HB2 MET A 27 -0.383 -2.560 1.719 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.477 -1.004 2.520 1.00 0.00 H new ATOM 0 HG2 MET A 27 -2.050 -2.217 4.212 1.00 0.00 H new ATOM 0 HG3 MET A 27 -1.403 -3.694 3.526 1.00 0.00 H new ATOM 0 HE1 MET A 27 2.034 -4.088 4.856 1.00 0.00 H new ATOM 0 HE2 MET A 27 0.451 -4.835 5.176 1.00 0.00 H new ATOM 0 HE3 MET A 27 0.918 -4.419 3.510 1.00 0.00 H new ATOM 441 N ILE A 28 -2.709 0.738 1.804 1.00 0.00 N ATOM 442 CA ILE A 28 -2.722 2.109 1.302 1.00 0.00 C ATOM 443 C ILE A 28 -1.322 2.719 1.336 1.00 0.00 C ATOM 444 O ILE A 28 -0.711 2.855 2.400 1.00 0.00 O ATOM 445 CB ILE A 28 -3.698 3.004 2.087 1.00 0.00 C ATOM 446 CG1 ILE A 28 -5.030 2.281 2.293 1.00 0.00 C ATOM 447 CG2 ILE A 28 -3.920 4.311 1.344 1.00 0.00 C ATOM 448 CD1 ILE A 28 -6.071 3.118 3.007 1.00 0.00 C ATOM 0 H ILE A 28 -3.029 0.631 2.766 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.066 2.060 0.269 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.265 3.223 3.063 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.423 1.978 1.323 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.854 1.370 2.865 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.612 4.937 1.908 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.969 4.832 1.231 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.339 4.103 0.359 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.989 2.541 3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.698 3.400 3.992 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.276 4.017 2.426 1.00 0.00 H new ATOM 460 N GLY A 29 -0.817 3.076 0.155 1.00 0.00 N ATOM 461 CA GLY A 29 0.514 3.648 0.050 1.00 0.00 C ATOM 462 C GLY A 29 0.707 4.864 0.929 1.00 0.00 C ATOM 463 O GLY A 29 1.830 5.176 1.321 1.00 0.00 O ATOM 0 H GLY A 29 -1.309 2.978 -0.733 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.251 2.891 0.320 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.704 3.923 -0.987 1.00 0.00 H new ATOM 467 N SER A 30 -0.383 5.544 1.257 1.00 0.00 N ATOM 468 CA SER A 30 -0.305 6.717 2.116 1.00 0.00 C ATOM 469 C SER A 30 0.187 6.309 3.499 1.00 0.00 C ATOM 470 O SER A 30 1.050 6.967 4.091 1.00 0.00 O ATOM 471 CB SER A 30 -1.671 7.396 2.222 1.00 0.00 C ATOM 472 OG SER A 30 -1.545 8.727 2.690 1.00 0.00 O ATOM 0 H SER A 30 -1.324 5.306 0.944 1.00 0.00 H new ATOM 0 HA SER A 30 0.398 7.426 1.680 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.158 7.395 1.247 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.311 6.829 2.898 1.00 0.00 H new ATOM 0 HG SER A 30 -2.432 9.139 2.747 1.00 0.00 H new ATOM 478 N GLU A 31 -0.353 5.200 3.999 1.00 0.00 N ATOM 479 CA GLU A 31 0.038 4.687 5.301 1.00 0.00 C ATOM 480 C GLU A 31 1.451 4.134 5.237 1.00 0.00 C ATOM 481 O GLU A 31 2.249 4.325 6.154 1.00 0.00 O ATOM 482 CB GLU A 31 -0.936 3.606 5.768 1.00 0.00 C ATOM 483 CG GLU A 31 -2.291 4.150 6.192 1.00 0.00 C ATOM 484 CD GLU A 31 -2.566 3.942 7.668 1.00 0.00 C ATOM 485 OE1 GLU A 31 -2.021 2.977 8.243 1.00 0.00 O ATOM 486 OE2 GLU A 31 -3.327 4.744 8.249 1.00 0.00 O ATOM 0 H GLU A 31 -1.061 4.643 3.520 1.00 0.00 H new ATOM 0 HA GLU A 31 0.011 5.505 6.021 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.079 2.885 4.963 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.493 3.066 6.605 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.339 5.215 5.964 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.073 3.664 5.608 1.00 0.00 H new ATOM 493 N VAL A 32 1.758 3.463 4.134 1.00 0.00 N ATOM 494 CA VAL A 32 3.082 2.897 3.933 1.00 0.00 C ATOM 495 C VAL A 32 4.125 4.006 3.863 1.00 0.00 C ATOM 496 O VAL A 32 5.218 3.882 4.414 1.00 0.00 O ATOM 497 CB VAL A 32 3.150 2.055 2.643 1.00 0.00 C ATOM 498 CG1 VAL A 32 4.504 1.373 2.519 1.00 0.00 C ATOM 499 CG2 VAL A 32 2.026 1.030 2.616 1.00 0.00 C ATOM 0 H VAL A 32 1.107 3.298 3.366 1.00 0.00 H new ATOM 0 HA VAL A 32 3.290 2.246 4.782 1.00 0.00 H new ATOM 0 HB VAL A 32 3.026 2.722 1.790 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.532 0.784 1.602 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.290 2.128 2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.661 0.718 3.376 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.089 0.445 1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.117 0.367 3.476 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.065 1.543 2.654 1.00 0.00 H new ATOM 509 N GLY A 33 3.772 5.091 3.183 1.00 0.00 N ATOM 510 CA GLY A 33 4.682 6.212 3.053 1.00 0.00 C ATOM 511 C GLY A 33 5.008 6.844 4.391 1.00 0.00 C ATOM 512 O GLY A 33 6.180 7.025 4.727 1.00 0.00 O ATOM 0 H GLY A 33 2.872 5.214 2.720 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.604 5.876 2.578 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.240 6.962 2.397 1.00 0.00 H new ATOM 516 N ASN A 34 3.981 7.164 5.171 1.00 0.00 N ATOM 517 CA ASN A 34 4.203 7.759 6.483 1.00 0.00 C ATOM 518 C ASN A 34 4.927 6.769 7.390 1.00 0.00 C ATOM 519 O ASN A 34 5.730 7.155 8.238 1.00 0.00 O ATOM 520 CB ASN A 34 2.884 8.230 7.114 1.00 0.00 C ATOM 521 CG ASN A 34 1.952 7.097 7.502 1.00 0.00 C ATOM 522 OD1 ASN A 34 2.385 6.044 7.969 1.00 0.00 O ATOM 523 ND2 ASN A 34 0.655 7.315 7.321 1.00 0.00 N ATOM 0 H ASN A 34 3.002 7.024 4.923 1.00 0.00 H new ATOM 0 HA ASN A 34 4.833 8.640 6.359 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.108 8.824 8.000 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.370 8.887 6.412 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.023 6.596 7.572 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.337 8.202 6.931 1.00 0.00 H new ATOM 530 N TYR A 35 4.638 5.486 7.192 1.00 0.00 N ATOM 531 CA TYR A 35 5.256 4.420 7.971 1.00 0.00 C ATOM 532 C TYR A 35 6.768 4.416 7.781 1.00 0.00 C ATOM 533 O TYR A 35 7.525 4.266 8.740 1.00 0.00 O ATOM 534 CB TYR A 35 4.669 3.076 7.539 1.00 0.00 C ATOM 535 CG TYR A 35 4.975 1.942 8.483 1.00 0.00 C ATOM 536 CD1 TYR A 35 5.006 2.150 9.851 1.00 0.00 C ATOM 537 CD2 TYR A 35 5.232 0.665 8.005 1.00 0.00 C ATOM 538 CE1 TYR A 35 5.284 1.120 10.721 1.00 0.00 C ATOM 539 CE2 TYR A 35 5.511 -0.372 8.870 1.00 0.00 C ATOM 540 CZ TYR A 35 5.535 -0.141 10.228 1.00 0.00 C ATOM 541 OH TYR A 35 5.814 -1.174 11.095 1.00 0.00 O ATOM 0 H TYR A 35 3.973 5.158 6.491 1.00 0.00 H new ATOM 0 HA TYR A 35 5.049 4.589 9.028 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.588 3.176 7.446 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.052 2.825 6.550 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.809 3.137 10.243 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.213 0.481 6.941 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.305 1.300 11.786 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.710 -1.361 8.485 1.00 0.00 H new ATOM 0 HH TYR A 35 5.966 -1.997 10.585 1.00 0.00 H new ATOM 551 N LEU A 36 7.198 4.593 6.539 1.00 0.00 N ATOM 552 CA LEU A 36 8.621 4.621 6.219 1.00 0.00 C ATOM 553 C LEU A 36 9.149 6.057 6.194 1.00 0.00 C ATOM 554 O LEU A 36 10.342 6.284 5.992 1.00 0.00 O ATOM 555 CB LEU A 36 8.882 3.943 4.873 1.00 0.00 C ATOM 556 CG LEU A 36 8.469 2.470 4.800 1.00 0.00 C ATOM 557 CD1 LEU A 36 7.338 2.271 3.799 1.00 0.00 C ATOM 558 CD2 LEU A 36 9.664 1.598 4.440 1.00 0.00 C ATOM 0 H LEU A 36 6.583 4.719 5.736 1.00 0.00 H new ATOM 0 HA LEU A 36 9.150 4.073 6.998 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.350 4.493 4.097 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.945 4.018 4.645 1.00 0.00 H new ATOM 0 HG LEU A 36 8.106 2.170 5.783 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.063 1.217 3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.474 2.862 4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.666 2.592 2.810 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.352 0.555 4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.058 1.903 3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.439 1.711 5.199 1.00 0.00 H new ATOM 570 N ARG A 37 8.255 7.024 6.401 1.00 0.00 N ATOM 571 CA ARG A 37 8.627 8.435 6.404 1.00 0.00 C ATOM 572 C ARG A 37 9.030 8.907 5.012 1.00 0.00 C ATOM 573 O ARG A 37 9.845 9.818 4.868 1.00 0.00 O ATOM 574 CB ARG A 37 9.772 8.686 7.389 1.00 0.00 C ATOM 575 CG ARG A 37 9.718 10.055 8.049 1.00 0.00 C ATOM 576 CD ARG A 37 9.619 9.946 9.562 1.00 0.00 C ATOM 577 NE ARG A 37 10.230 11.089 10.236 1.00 0.00 N ATOM 578 CZ ARG A 37 10.014 11.399 11.513 1.00 0.00 C ATOM 579 NH1 ARG A 37 9.203 10.656 12.255 1.00 0.00 N ATOM 580 NH2 ARG A 37 10.610 12.456 12.048 1.00 0.00 N ATOM 0 H ARG A 37 7.264 6.852 6.569 1.00 0.00 H new ATOM 0 HA ARG A 37 7.752 9.005 6.718 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.750 7.918 8.162 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.721 8.582 6.864 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.609 10.623 7.783 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.861 10.610 7.667 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.571 9.872 9.852 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.106 9.028 9.892 1.00 0.00 H new ATOM 0 HE ARG A 37 10.859 11.684 9.697 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.741 9.843 11.848 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.041 10.898 13.233 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.233 13.031 11.481 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.445 12.694 13.026 1.00 0.00 H new ATOM 594 N MET A 38 8.443 8.294 3.990 1.00 0.00 N ATOM 595 CA MET A 38 8.733 8.672 2.613 1.00 0.00 C ATOM 596 C MET A 38 7.617 9.556 2.067 1.00 0.00 C ATOM 597 O MET A 38 6.442 9.191 2.121 1.00 0.00 O ATOM 598 CB MET A 38 8.897 7.424 1.741 1.00 0.00 C ATOM 599 CG MET A 38 10.299 7.258 1.175 1.00 0.00 C ATOM 600 SD MET A 38 11.228 5.946 1.990 1.00 0.00 S ATOM 601 CE MET A 38 12.158 5.282 0.611 1.00 0.00 C ATOM 0 H MET A 38 7.767 7.537 4.089 1.00 0.00 H new ATOM 0 HA MET A 38 9.667 9.233 2.593 1.00 0.00 H new ATOM 0 HB2 MET A 38 8.646 6.543 2.331 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.185 7.470 0.917 1.00 0.00 H new ATOM 0 HG2 MET A 38 10.233 7.042 0.109 1.00 0.00 H new ATOM 0 HG3 MET A 38 10.841 8.198 1.277 1.00 0.00 H new ATOM 0 HE1 MET A 38 12.783 4.459 0.957 1.00 0.00 H new ATOM 0 HE2 MET A 38 11.469 4.919 -0.151 1.00 0.00 H new ATOM 0 HE3 MET A 38 12.789 6.064 0.187 1.00 0.00 H new ATOM 611 N PHE A 39 7.988 10.721 1.551 1.00 0.00 N ATOM 612 CA PHE A 39 7.011 11.658 1.006 1.00 0.00 C ATOM 613 C PHE A 39 7.372 12.061 -0.420 1.00 0.00 C ATOM 614 O PHE A 39 8.422 11.678 -0.937 1.00 0.00 O ATOM 615 CB PHE A 39 6.916 12.897 1.901 1.00 0.00 C ATOM 616 CG PHE A 39 6.986 12.582 3.370 1.00 0.00 C ATOM 617 CD1 PHE A 39 5.834 12.306 4.091 1.00 0.00 C ATOM 618 CD2 PHE A 39 8.206 12.556 4.029 1.00 0.00 C ATOM 619 CE1 PHE A 39 5.898 12.011 5.441 1.00 0.00 C ATOM 620 CE2 PHE A 39 8.275 12.262 5.377 1.00 0.00 C ATOM 621 CZ PHE A 39 7.120 11.989 6.084 1.00 0.00 C ATOM 0 H PHE A 39 8.955 11.040 1.498 1.00 0.00 H new ATOM 0 HA PHE A 39 6.041 11.162 0.980 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.724 13.583 1.646 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.980 13.415 1.693 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.876 12.322 3.593 1.00 0.00 H new ATOM 0 HD2 PHE A 39 9.113 12.768 3.482 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.993 11.798 5.991 1.00 0.00 H new ATOM 0 HE2 PHE A 39 9.232 12.246 5.878 1.00 0.00 H new ATOM 0 HZ PHE A 39 7.173 11.759 7.138 1.00 0.00 H new ATOM 631 N ARG A 40 6.494 12.833 -1.051 1.00 0.00 N ATOM 632 CA ARG A 40 6.719 13.288 -2.418 1.00 0.00 C ATOM 633 C ARG A 40 6.863 12.101 -3.366 1.00 0.00 C ATOM 634 O ARG A 40 7.668 12.131 -4.297 1.00 0.00 O ATOM 635 CB ARG A 40 7.969 14.167 -2.488 1.00 0.00 C ATOM 636 CG ARG A 40 7.718 15.614 -2.099 1.00 0.00 C ATOM 637 CD ARG A 40 9.018 16.392 -1.980 1.00 0.00 C ATOM 638 NE ARG A 40 9.739 16.070 -0.751 1.00 0.00 N ATOM 639 CZ ARG A 40 9.431 16.573 0.442 1.00 0.00 C ATOM 640 NH1 ARG A 40 8.418 17.421 0.572 1.00 0.00 N ATOM 641 NH2 ARG A 40 10.137 16.226 1.511 1.00 0.00 N ATOM 0 H ARG A 40 5.620 13.157 -0.637 1.00 0.00 H new ATOM 0 HA ARG A 40 5.855 13.876 -2.727 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.733 13.750 -1.832 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.368 14.136 -3.502 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.077 16.086 -2.844 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.183 15.649 -1.150 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.651 16.173 -2.840 1.00 0.00 H new ATOM 0 HD3 ARG A 40 8.804 17.461 -2.005 1.00 0.00 H new ATOM 0 HE ARG A 40 10.524 15.422 -0.811 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.871 17.691 -0.245 1.00 0.00 H new ATOM 0 HH12 ARG A 40 8.187 17.803 1.489 1.00 0.00 H new ATOM 0 HH21 ARG A 40 10.916 15.574 1.418 1.00 0.00 H new ATOM 0 HH22 ARG A 40 9.901 16.612 2.425 1.00 0.00 H new ATOM 655 N GLY A 41 6.080 11.056 -3.121 1.00 0.00 N ATOM 656 CA GLY A 41 6.138 9.874 -3.958 1.00 0.00 C ATOM 657 C GLY A 41 7.486 9.183 -3.894 1.00 0.00 C ATOM 658 O GLY A 41 7.840 8.417 -4.791 1.00 0.00 O ATOM 0 H GLY A 41 5.406 11.007 -2.357 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.360 9.176 -3.649 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.925 10.153 -4.990 1.00 0.00 H new ATOM 662 N SER A 42 8.241 9.452 -2.833 1.00 0.00 N ATOM 663 CA SER A 42 9.557 8.850 -2.656 1.00 0.00 C ATOM 664 C SER A 42 9.463 7.327 -2.650 1.00 0.00 C ATOM 665 O SER A 42 10.368 6.637 -3.119 1.00 0.00 O ATOM 666 CB SER A 42 10.195 9.337 -1.354 1.00 0.00 C ATOM 667 OG SER A 42 10.817 10.599 -1.532 1.00 0.00 O ATOM 0 H SER A 42 7.963 10.084 -2.082 1.00 0.00 H new ATOM 0 HA SER A 42 10.183 9.155 -3.495 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.434 9.409 -0.577 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.932 8.610 -1.012 1.00 0.00 H new ATOM 0 HG SER A 42 10.158 11.311 -1.393 1.00 0.00 H new ATOM 673 N LEU A 43 8.363 6.810 -2.114 1.00 0.00 N ATOM 674 CA LEU A 43 8.150 5.370 -2.046 1.00 0.00 C ATOM 675 C LEU A 43 8.027 4.772 -3.443 1.00 0.00 C ATOM 676 O LEU A 43 8.707 3.800 -3.774 1.00 0.00 O ATOM 677 CB LEU A 43 6.892 5.057 -1.232 1.00 0.00 C ATOM 678 CG LEU A 43 6.695 3.579 -0.889 1.00 0.00 C ATOM 679 CD1 LEU A 43 7.285 3.265 0.477 1.00 0.00 C ATOM 680 CD2 LEU A 43 5.217 3.215 -0.929 1.00 0.00 C ATOM 0 H LEU A 43 7.605 7.367 -1.720 1.00 0.00 H new ATOM 0 HA LEU A 43 9.014 4.923 -1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.926 5.628 -0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.022 5.405 -1.788 1.00 0.00 H new ATOM 0 HG LEU A 43 7.218 2.980 -1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.135 2.209 0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.352 3.488 0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.791 3.873 1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.095 2.160 -0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.673 3.822 -0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.823 3.402 -1.928 1.00 0.00 H new ATOM 692 N TYR A 44 7.157 5.357 -4.260 1.00 0.00 N ATOM 693 CA TYR A 44 6.945 4.879 -5.621 1.00 0.00 C ATOM 694 C TYR A 44 8.165 5.154 -6.494 1.00 0.00 C ATOM 695 O TYR A 44 8.543 4.330 -7.327 1.00 0.00 O ATOM 696 CB TYR A 44 5.707 5.541 -6.228 1.00 0.00 C ATOM 697 CG TYR A 44 4.474 5.421 -5.363 1.00 0.00 C ATOM 698 CD1 TYR A 44 3.742 6.546 -5.002 1.00 0.00 C ATOM 699 CD2 TYR A 44 4.042 4.183 -4.905 1.00 0.00 C ATOM 700 CE1 TYR A 44 2.616 6.440 -4.209 1.00 0.00 C ATOM 701 CE2 TYR A 44 2.915 4.069 -4.113 1.00 0.00 C ATOM 702 CZ TYR A 44 2.206 5.200 -3.767 1.00 0.00 C ATOM 703 OH TYR A 44 1.085 5.090 -2.978 1.00 0.00 O ATOM 0 H TYR A 44 6.587 6.163 -4.003 1.00 0.00 H new ATOM 0 HA TYR A 44 6.789 3.801 -5.580 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.918 6.596 -6.402 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.504 5.092 -7.200 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.059 7.519 -5.347 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.596 3.295 -5.172 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.059 7.324 -3.936 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.591 3.099 -3.767 1.00 0.00 H new ATOM 0 HH TYR A 44 1.213 5.605 -2.154 1.00 0.00 H new ATOM 713 N LYS A 45 8.779 6.317 -6.298 1.00 0.00 N ATOM 714 CA LYS A 45 9.956 6.698 -7.070 1.00 0.00 C ATOM 715 C LYS A 45 11.165 5.856 -6.670 1.00 0.00 C ATOM 716 O LYS A 45 12.061 5.616 -7.479 1.00 0.00 O ATOM 717 CB LYS A 45 10.263 8.185 -6.872 1.00 0.00 C ATOM 718 CG LYS A 45 10.397 8.956 -8.175 1.00 0.00 C ATOM 719 CD LYS A 45 11.684 8.602 -8.903 1.00 0.00 C ATOM 720 CE LYS A 45 11.446 8.389 -10.389 1.00 0.00 C ATOM 721 NZ LYS A 45 12.237 7.246 -10.922 1.00 0.00 N ATOM 0 H LYS A 45 8.481 7.011 -5.612 1.00 0.00 H new ATOM 0 HA LYS A 45 9.744 6.517 -8.124 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.471 8.635 -6.273 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.188 8.284 -6.304 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.543 8.739 -8.817 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.377 10.026 -7.969 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.414 9.399 -8.761 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.111 7.698 -8.469 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.385 8.209 -10.564 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.709 9.297 -10.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.046 7.135 -11.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.251 7.429 -10.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.968 6.375 -10.422 1.00 0.00 H new ATOM 735 N ARG A 46 11.184 5.409 -5.419 1.00 0.00 N ATOM 736 CA ARG A 46 12.281 4.594 -4.912 1.00 0.00 C ATOM 737 C ARG A 46 12.005 3.108 -5.124 1.00 0.00 C ATOM 738 O ARG A 46 12.931 2.299 -5.191 1.00 0.00 O ATOM 739 CB ARG A 46 12.509 4.874 -3.426 1.00 0.00 C ATOM 740 CG ARG A 46 13.709 4.143 -2.846 1.00 0.00 C ATOM 741 CD ARG A 46 14.862 5.093 -2.559 1.00 0.00 C ATOM 742 NE ARG A 46 16.119 4.618 -3.131 1.00 0.00 N ATOM 743 CZ ARG A 46 17.197 5.383 -3.291 1.00 0.00 C ATOM 744 NH1 ARG A 46 17.176 6.658 -2.923 1.00 0.00 N ATOM 745 NH2 ARG A 46 18.301 4.872 -3.821 1.00 0.00 N ATOM 0 H ARG A 46 10.450 5.598 -4.736 1.00 0.00 H new ATOM 0 HA ARG A 46 13.180 4.859 -5.468 1.00 0.00 H new ATOM 0 HB2 ARG A 46 12.644 5.946 -3.283 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.616 4.588 -2.870 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.417 3.637 -1.926 1.00 0.00 H new ATOM 0 HG3 ARG A 46 14.037 3.372 -3.543 1.00 0.00 H new ATOM 0 HD2 ARG A 46 14.629 6.078 -2.964 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.976 5.210 -1.481 1.00 0.00 H new ATOM 0 HE ARG A 46 16.174 3.643 -3.425 1.00 0.00 H new ATOM 0 HH11 ARG A 46 16.331 7.057 -2.515 1.00 0.00 H new ATOM 0 HH12 ARG A 46 18.005 7.239 -3.048 1.00 0.00 H new ATOM 0 HH21 ARG A 46 18.324 3.893 -4.106 1.00 0.00 H new ATOM 0 HH22 ARG A 46 19.127 5.458 -3.943 1.00 0.00 H new ATOM 759 N TYR A 47 10.727 2.754 -5.223 1.00 0.00 N ATOM 760 CA TYR A 47 10.334 1.364 -5.422 1.00 0.00 C ATOM 761 C TYR A 47 9.562 1.192 -6.730 1.00 0.00 C ATOM 762 O TYR A 47 8.349 0.974 -6.725 1.00 0.00 O ATOM 763 CB TYR A 47 9.486 0.885 -4.246 1.00 0.00 C ATOM 764 CG TYR A 47 10.277 0.673 -2.977 1.00 0.00 C ATOM 765 CD1 TYR A 47 10.915 -0.532 -2.736 1.00 0.00 C ATOM 766 CD2 TYR A 47 10.384 1.675 -2.020 1.00 0.00 C ATOM 767 CE1 TYR A 47 11.638 -0.742 -1.581 1.00 0.00 C ATOM 768 CE2 TYR A 47 11.107 1.477 -0.859 1.00 0.00 C ATOM 769 CZ TYR A 47 11.733 0.267 -0.643 1.00 0.00 C ATOM 770 OH TYR A 47 12.454 0.066 0.513 1.00 0.00 O ATOM 0 H TYR A 47 9.948 3.410 -5.169 1.00 0.00 H new ATOM 0 HA TYR A 47 11.240 0.760 -5.480 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.699 1.614 -4.056 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.996 -0.049 -4.519 1.00 0.00 H new ATOM 0 HD1 TYR A 47 10.845 -1.323 -3.468 1.00 0.00 H new ATOM 0 HD2 TYR A 47 9.894 2.623 -2.186 1.00 0.00 H new ATOM 0 HE1 TYR A 47 12.127 -1.690 -1.411 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.181 2.265 -0.125 1.00 0.00 H new ATOM 0 HH TYR A 47 12.599 -0.894 0.645 1.00 0.00 H new ATOM 780 N PRO A 48 10.259 1.293 -7.875 1.00 0.00 N ATOM 781 CA PRO A 48 9.640 1.157 -9.199 1.00 0.00 C ATOM 782 C PRO A 48 9.027 -0.224 -9.432 1.00 0.00 C ATOM 783 O PRO A 48 8.070 -0.363 -10.194 1.00 0.00 O ATOM 784 CB PRO A 48 10.802 1.392 -10.170 1.00 0.00 C ATOM 785 CG PRO A 48 12.033 1.134 -9.371 1.00 0.00 C ATOM 786 CD PRO A 48 11.705 1.554 -7.969 1.00 0.00 C ATOM 0 HA PRO A 48 8.812 1.855 -9.322 1.00 0.00 H new ATOM 0 HB2 PRO A 48 10.741 0.722 -11.028 1.00 0.00 H new ATOM 0 HB3 PRO A 48 10.791 2.410 -10.559 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.310 0.081 -9.409 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.879 1.700 -9.761 1.00 0.00 H new ATOM 0 HD2 PRO A 48 12.268 0.979 -7.233 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.937 2.605 -7.798 1.00 0.00 H new ATOM 794 N SER A 49 9.583 -1.243 -8.782 1.00 0.00 N ATOM 795 CA SER A 49 9.080 -2.606 -8.938 1.00 0.00 C ATOM 796 C SER A 49 7.916 -2.893 -7.989 1.00 0.00 C ATOM 797 O SER A 49 7.451 -4.029 -7.899 1.00 0.00 O ATOM 798 CB SER A 49 10.204 -3.618 -8.705 1.00 0.00 C ATOM 799 OG SER A 49 10.502 -4.329 -9.894 1.00 0.00 O ATOM 0 H SER A 49 10.376 -1.153 -8.147 1.00 0.00 H new ATOM 0 HA SER A 49 8.711 -2.703 -9.959 1.00 0.00 H new ATOM 0 HB2 SER A 49 11.097 -3.101 -8.353 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.912 -4.318 -7.922 1.00 0.00 H new ATOM 0 HG SER A 49 11.224 -4.968 -9.721 1.00 0.00 H new ATOM 805 N LEU A 50 7.451 -1.868 -7.280 1.00 0.00 N ATOM 806 CA LEU A 50 6.347 -2.034 -6.343 1.00 0.00 C ATOM 807 C LEU A 50 5.000 -1.865 -7.039 1.00 0.00 C ATOM 808 O LEU A 50 4.780 -0.893 -7.764 1.00 0.00 O ATOM 809 CB LEU A 50 6.474 -1.025 -5.204 1.00 0.00 C ATOM 810 CG LEU A 50 5.844 -1.452 -3.881 1.00 0.00 C ATOM 811 CD1 LEU A 50 6.746 -2.436 -3.156 1.00 0.00 C ATOM 812 CD2 LEU A 50 5.573 -0.238 -3.009 1.00 0.00 C ATOM 0 H LEU A 50 7.820 -0.919 -7.337 1.00 0.00 H new ATOM 0 HA LEU A 50 6.395 -3.045 -5.940 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.532 -0.824 -5.035 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.017 -0.087 -5.519 1.00 0.00 H new ATOM 0 HG LEU A 50 4.896 -1.946 -4.092 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.282 -2.730 -2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.896 -3.319 -3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.709 -1.967 -2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.124 -0.558 -2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.510 0.280 -2.805 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.890 0.436 -3.526 1.00 0.00 H new ATOM 824 N TRP A 51 4.099 -2.814 -6.807 1.00 0.00 N ATOM 825 CA TRP A 51 2.769 -2.770 -7.401 1.00 0.00 C ATOM 826 C TRP A 51 1.944 -1.645 -6.783 1.00 0.00 C ATOM 827 O TRP A 51 1.704 -1.633 -5.577 1.00 0.00 O ATOM 828 CB TRP A 51 2.055 -4.109 -7.195 1.00 0.00 C ATOM 829 CG TRP A 51 0.679 -4.153 -7.791 1.00 0.00 C ATOM 830 CD1 TRP A 51 0.319 -4.675 -9.000 1.00 0.00 C ATOM 831 CD2 TRP A 51 -0.521 -3.650 -7.198 1.00 0.00 C ATOM 832 NE1 TRP A 51 -1.035 -4.525 -9.193 1.00 0.00 N ATOM 833 CE2 TRP A 51 -1.571 -3.898 -8.099 1.00 0.00 C ATOM 834 CE3 TRP A 51 -0.807 -3.016 -5.989 1.00 0.00 C ATOM 835 CZ2 TRP A 51 -2.886 -3.532 -7.826 1.00 0.00 C ATOM 836 CZ3 TRP A 51 -2.108 -2.651 -5.719 1.00 0.00 C ATOM 837 CH2 TRP A 51 -3.134 -2.909 -6.633 1.00 0.00 C ATOM 0 H TRP A 51 4.267 -3.624 -6.211 1.00 0.00 H new ATOM 0 HA TRP A 51 2.875 -2.581 -8.469 1.00 0.00 H new ATOM 0 HB2 TRP A 51 2.658 -4.904 -7.634 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.986 -4.314 -6.127 1.00 0.00 H new ATOM 0 HD1 TRP A 51 0.997 -5.138 -9.702 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.555 -4.831 -10.016 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.021 -2.814 -5.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -3.681 -3.732 -8.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.339 -2.158 -4.786 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -4.144 -2.610 -6.392 1.00 0.00 H new ATOM 848 N ARG A 52 1.516 -0.699 -7.612 1.00 0.00 N ATOM 849 CA ARG A 52 0.719 0.424 -7.133 1.00 0.00 C ATOM 850 C ARG A 52 -0.403 0.759 -8.112 1.00 0.00 C ATOM 851 O ARG A 52 -0.196 0.760 -9.325 1.00 0.00 O ATOM 852 CB ARG A 52 1.608 1.650 -6.919 1.00 0.00 C ATOM 853 CG ARG A 52 2.490 1.978 -8.113 1.00 0.00 C ATOM 854 CD ARG A 52 2.177 3.353 -8.681 1.00 0.00 C ATOM 855 NE ARG A 52 2.961 3.642 -9.880 1.00 0.00 N ATOM 856 CZ ARG A 52 3.125 4.864 -10.382 1.00 0.00 C ATOM 857 NH1 ARG A 52 2.563 5.912 -9.792 1.00 0.00 N ATOM 858 NH2 ARG A 52 3.854 5.039 -11.476 1.00 0.00 N ATOM 0 H ARG A 52 1.706 -0.687 -8.614 1.00 0.00 H new ATOM 0 HA ARG A 52 0.269 0.137 -6.183 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.978 2.511 -6.696 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.239 1.483 -6.046 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.537 1.937 -7.814 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.350 1.224 -8.887 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.115 3.414 -8.919 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.378 4.112 -7.925 1.00 0.00 H new ATOM 0 HE ARG A 52 3.409 2.862 -10.360 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.002 5.783 -8.950 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.692 6.846 -10.181 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.289 4.237 -11.933 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.980 5.975 -11.861 1.00 0.00 H new ATOM 872 N ARG A 53 -1.589 1.056 -7.583 1.00 0.00 N ATOM 873 CA ARG A 53 -2.725 1.405 -8.431 1.00 0.00 C ATOM 874 C ARG A 53 -3.707 2.324 -7.702 1.00 0.00 C ATOM 875 O ARG A 53 -3.699 2.408 -6.475 1.00 0.00 O ATOM 876 CB ARG A 53 -3.429 0.138 -8.943 1.00 0.00 C ATOM 877 CG ARG A 53 -4.528 -0.390 -8.032 1.00 0.00 C ATOM 878 CD ARG A 53 -5.905 -0.182 -8.633 1.00 0.00 C ATOM 879 NE ARG A 53 -6.830 -1.252 -8.264 1.00 0.00 N ATOM 880 CZ ARG A 53 -6.918 -2.413 -8.910 1.00 0.00 C ATOM 881 NH1 ARG A 53 -6.137 -2.665 -9.954 1.00 0.00 N ATOM 882 NH2 ARG A 53 -7.789 -3.330 -8.508 1.00 0.00 N ATOM 0 H ARG A 53 -1.786 1.062 -6.582 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.343 1.954 -9.291 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.857 0.348 -9.923 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.683 -0.645 -9.082 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.368 -1.452 -7.848 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.473 0.113 -7.066 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.306 0.775 -8.299 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.823 -0.132 -9.719 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.445 -1.100 -7.464 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.463 -1.966 -10.267 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.211 -3.557 -10.443 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.390 -3.145 -7.705 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.857 -4.220 -9.002 1.00 0.00 H new ATOM 896 N LEU A 54 -4.546 3.017 -8.470 1.00 0.00 N ATOM 897 CA LEU A 54 -5.530 3.936 -7.903 1.00 0.00 C ATOM 898 C LEU A 54 -6.876 3.249 -7.704 1.00 0.00 C ATOM 899 O LEU A 54 -7.384 2.579 -8.603 1.00 0.00 O ATOM 900 CB LEU A 54 -5.697 5.158 -8.808 1.00 0.00 C ATOM 901 CG LEU A 54 -4.720 6.299 -8.531 1.00 0.00 C ATOM 902 CD1 LEU A 54 -3.950 6.669 -9.791 1.00 0.00 C ATOM 903 CD2 LEU A 54 -5.455 7.512 -7.979 1.00 0.00 C ATOM 0 H LEU A 54 -4.564 2.959 -9.488 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.164 4.259 -6.928 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.581 4.843 -9.845 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.714 5.535 -8.701 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.005 5.959 -7.782 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.260 7.484 -9.570 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.388 5.803 -10.142 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.649 6.986 -10.565 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.742 8.314 -7.788 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.195 7.850 -8.704 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.955 7.242 -7.049 1.00 0.00 H new ATOM 915 N ALA A 55 -7.449 3.418 -6.516 1.00 0.00 N ATOM 916 CA ALA A 55 -8.733 2.811 -6.188 1.00 0.00 C ATOM 917 C ALA A 55 -9.904 3.616 -6.742 1.00 0.00 C ATOM 918 O ALA A 55 -9.853 4.844 -6.817 1.00 0.00 O ATOM 919 CB ALA A 55 -8.872 2.660 -4.681 1.00 0.00 C ATOM 0 H ALA A 55 -7.042 3.972 -5.763 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.758 1.827 -6.657 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.835 2.206 -4.448 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.070 2.025 -4.303 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.810 3.641 -4.210 1.00 0.00 H new ATOM 925 N THR A 56 -10.964 2.906 -7.117 1.00 0.00 N ATOM 926 CA THR A 56 -12.169 3.529 -7.654 1.00 0.00 C ATOM 927 C THR A 56 -13.068 4.015 -6.524 1.00 0.00 C ATOM 928 O THR A 56 -12.827 3.710 -5.356 1.00 0.00 O ATOM 929 CB THR A 56 -12.942 2.530 -8.515 1.00 0.00 C ATOM 930 OG1 THR A 56 -13.692 1.645 -7.697 1.00 0.00 O ATOM 931 CG2 THR A 56 -12.053 1.689 -9.408 1.00 0.00 C ATOM 0 H THR A 56 -11.012 1.889 -7.058 1.00 0.00 H new ATOM 0 HA THR A 56 -11.868 4.380 -8.265 1.00 0.00 H new ATOM 0 HB THR A 56 -13.591 3.135 -9.148 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.182 1.013 -8.263 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.667 1.003 -9.990 1.00 0.00 H new ATOM 0 HG22 THR A 56 -11.496 2.339 -10.083 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.355 1.120 -8.794 1.00 0.00 H new ATOM 939 N VAL A 57 -14.116 4.757 -6.874 1.00 0.00 N ATOM 940 CA VAL A 57 -15.055 5.261 -5.877 1.00 0.00 C ATOM 941 C VAL A 57 -15.588 4.113 -5.026 1.00 0.00 C ATOM 942 O VAL A 57 -15.585 4.176 -3.796 1.00 0.00 O ATOM 943 CB VAL A 57 -16.237 5.998 -6.532 1.00 0.00 C ATOM 944 CG1 VAL A 57 -17.110 6.657 -5.476 1.00 0.00 C ATOM 945 CG2 VAL A 57 -15.735 7.025 -7.536 1.00 0.00 C ATOM 0 H VAL A 57 -14.335 5.021 -7.835 1.00 0.00 H new ATOM 0 HA VAL A 57 -14.514 5.968 -5.248 1.00 0.00 H new ATOM 0 HB VAL A 57 -16.845 5.267 -7.066 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -17.940 7.173 -5.960 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -17.500 5.896 -4.800 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -16.517 7.375 -4.910 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -16.584 7.536 -7.989 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -15.103 7.753 -7.027 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -15.158 6.523 -8.312 1.00 0.00 H new ATOM 955 N GLU A 58 -16.025 3.048 -5.687 1.00 0.00 N ATOM 956 CA GLU A 58 -16.533 1.881 -4.984 1.00 0.00 C ATOM 957 C GLU A 58 -15.428 1.283 -4.119 1.00 0.00 C ATOM 958 O GLU A 58 -15.664 0.866 -2.982 1.00 0.00 O ATOM 959 CB GLU A 58 -17.052 0.838 -5.977 1.00 0.00 C ATOM 960 CG GLU A 58 -18.567 0.815 -6.098 1.00 0.00 C ATOM 961 CD GLU A 58 -19.049 -0.115 -7.194 1.00 0.00 C ATOM 962 OE1 GLU A 58 -19.229 -1.319 -6.916 1.00 0.00 O ATOM 963 OE2 GLU A 58 -19.247 0.362 -8.332 1.00 0.00 O ATOM 0 H GLU A 58 -16.037 2.970 -6.704 1.00 0.00 H new ATOM 0 HA GLU A 58 -17.362 2.187 -4.346 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -16.620 1.036 -6.958 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -16.705 -0.149 -5.669 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -18.999 0.505 -5.147 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -18.927 1.824 -6.298 1.00 0.00 H new ATOM 970 N GLU A 59 -14.217 1.255 -4.670 1.00 0.00 N ATOM 971 CA GLU A 59 -13.069 0.719 -3.954 1.00 0.00 C ATOM 972 C GLU A 59 -12.803 1.507 -2.676 1.00 0.00 C ATOM 973 O GLU A 59 -12.582 0.921 -1.621 1.00 0.00 O ATOM 974 CB GLU A 59 -11.827 0.739 -4.845 1.00 0.00 C ATOM 975 CG GLU A 59 -11.853 -0.305 -5.950 1.00 0.00 C ATOM 976 CD GLU A 59 -10.498 -0.494 -6.603 1.00 0.00 C ATOM 977 OE1 GLU A 59 -10.156 0.301 -7.504 1.00 0.00 O ATOM 978 OE2 GLU A 59 -9.779 -1.438 -6.215 1.00 0.00 O ATOM 0 H GLU A 59 -14.008 1.597 -5.608 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.296 -0.312 -3.682 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.728 1.728 -5.293 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.944 0.579 -4.226 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.190 -1.256 -5.539 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.579 -0.010 -6.707 1.00 0.00 H new ATOM 985 N ARG A 60 -12.822 2.838 -2.768 1.00 0.00 N ATOM 986 CA ARG A 60 -12.579 3.676 -1.602 1.00 0.00 C ATOM 987 C ARG A 60 -13.630 3.418 -0.530 1.00 0.00 C ATOM 988 O ARG A 60 -13.316 3.384 0.659 1.00 0.00 O ATOM 989 CB ARG A 60 -12.549 5.163 -1.988 1.00 0.00 C ATOM 990 CG ARG A 60 -13.907 5.743 -2.356 1.00 0.00 C ATOM 991 CD ARG A 60 -14.254 6.956 -1.509 1.00 0.00 C ATOM 992 NE ARG A 60 -14.371 6.616 -0.092 1.00 0.00 N ATOM 993 CZ ARG A 60 -15.137 7.279 0.772 1.00 0.00 C ATOM 994 NH1 ARG A 60 -15.841 8.333 0.378 1.00 0.00 N ATOM 995 NH2 ARG A 60 -15.196 6.889 2.039 1.00 0.00 N ATOM 0 H ARG A 60 -13.002 3.351 -3.631 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.602 3.416 -1.196 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.137 5.734 -1.156 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.871 5.294 -2.831 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -13.909 6.023 -3.409 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -14.674 4.980 -2.228 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.487 7.720 -1.637 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -15.193 7.386 -1.858 1.00 0.00 H new ATOM 0 HE ARG A 60 -13.833 5.822 0.256 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.798 8.641 -0.593 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -16.425 8.835 1.047 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -14.655 6.082 2.350 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -15.782 7.396 2.702 1.00 0.00 H new ATOM 1009 N LYS A 61 -14.874 3.216 -0.954 1.00 0.00 N ATOM 1010 CA LYS A 61 -15.950 2.938 -0.013 1.00 0.00 C ATOM 1011 C LYS A 61 -15.620 1.686 0.786 1.00 0.00 C ATOM 1012 O LYS A 61 -15.689 1.682 2.016 1.00 0.00 O ATOM 1013 CB LYS A 61 -17.278 2.759 -0.751 1.00 0.00 C ATOM 1014 CG LYS A 61 -18.055 4.053 -0.931 1.00 0.00 C ATOM 1015 CD LYS A 61 -18.873 4.037 -2.212 1.00 0.00 C ATOM 1016 CE LYS A 61 -19.967 5.093 -2.187 1.00 0.00 C ATOM 1017 NZ LYS A 61 -20.868 4.987 -3.367 1.00 0.00 N ATOM 0 H LYS A 61 -15.159 3.239 -1.933 1.00 0.00 H new ATOM 0 HA LYS A 61 -16.049 3.783 0.668 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -17.083 2.323 -1.731 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -17.896 2.048 -0.203 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -18.716 4.204 -0.078 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -17.363 4.895 -0.950 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -18.218 4.210 -3.066 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -19.320 3.052 -2.348 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -20.552 4.988 -1.273 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -19.514 6.084 -2.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -21.600 5.724 -3.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -20.315 5.112 -4.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -21.320 4.050 -3.376 1.00 0.00 H new ATOM 1031 N LYS A 62 -15.241 0.627 0.077 1.00 0.00 N ATOM 1032 CA LYS A 62 -14.877 -0.629 0.717 1.00 0.00 C ATOM 1033 C LYS A 62 -13.577 -0.472 1.502 1.00 0.00 C ATOM 1034 O LYS A 62 -13.395 -1.080 2.555 1.00 0.00 O ATOM 1035 CB LYS A 62 -14.723 -1.735 -0.329 1.00 0.00 C ATOM 1036 CG LYS A 62 -16.014 -2.063 -1.062 1.00 0.00 C ATOM 1037 CD LYS A 62 -15.774 -2.286 -2.546 1.00 0.00 C ATOM 1038 CE LYS A 62 -15.501 -3.750 -2.851 1.00 0.00 C ATOM 1039 NZ LYS A 62 -14.149 -4.171 -2.390 1.00 0.00 N ATOM 0 H LYS A 62 -15.179 0.615 -0.941 1.00 0.00 H new ATOM 0 HA LYS A 62 -15.674 -0.904 1.408 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.969 -1.434 -1.056 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -14.353 -2.637 0.159 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -16.463 -2.956 -0.627 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -16.727 -1.250 -0.926 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -16.644 -1.951 -3.111 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.929 -1.681 -2.874 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -16.258 -4.368 -2.369 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.588 -3.919 -3.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.736 -4.828 -3.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.537 -3.335 -2.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.229 -4.644 -1.467 1.00 0.00 H new ATOM 1429 N VAL A 88 -6.991 6.992 -3.443 1.00 0.00 N ATOM 1430 CA VAL A 88 -6.448 5.912 -2.631 1.00 0.00 C ATOM 1431 C VAL A 88 -5.406 5.113 -3.403 1.00 0.00 C ATOM 1432 O VAL A 88 -5.704 4.525 -4.442 1.00 0.00 O ATOM 1433 CB VAL A 88 -7.559 4.954 -2.155 1.00 0.00 C ATOM 1434 CG1 VAL A 88 -7.016 3.970 -1.129 1.00 0.00 C ATOM 1435 CG2 VAL A 88 -8.736 5.736 -1.586 1.00 0.00 C ATOM 0 HA VAL A 88 -5.978 6.376 -1.764 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.913 4.386 -3.015 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.815 3.303 -0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.213 3.384 -1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.630 4.517 -0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.509 5.042 -1.256 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.400 6.334 -0.739 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.143 6.392 -2.355 1.00 0.00 H new ATOM 1445 N THR A 89 -4.185 5.090 -2.882 1.00 0.00 N ATOM 1446 CA THR A 89 -3.101 4.354 -3.517 1.00 0.00 C ATOM 1447 C THR A 89 -3.017 2.945 -2.946 1.00 0.00 C ATOM 1448 O THR A 89 -2.753 2.761 -1.759 1.00 0.00 O ATOM 1449 CB THR A 89 -1.771 5.081 -3.316 1.00 0.00 C ATOM 1450 OG1 THR A 89 -1.657 5.559 -1.987 1.00 0.00 O ATOM 1451 CG2 THR A 89 -1.588 6.260 -4.246 1.00 0.00 C ATOM 0 H THR A 89 -3.922 5.572 -2.023 1.00 0.00 H new ATOM 0 HA THR A 89 -3.306 4.291 -4.586 1.00 0.00 H new ATOM 0 HB THR A 89 -1.001 4.342 -3.537 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.711 5.595 -1.732 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.625 6.731 -4.051 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.621 5.916 -5.280 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.386 6.983 -4.078 1.00 0.00 H new ATOM 1459 N LEU A 90 -3.253 1.951 -3.793 1.00 0.00 N ATOM 1460 CA LEU A 90 -3.215 0.561 -3.361 1.00 0.00 C ATOM 1461 C LEU A 90 -1.865 -0.076 -3.665 1.00 0.00 C ATOM 1462 O LEU A 90 -1.241 0.223 -4.684 1.00 0.00 O ATOM 1463 CB LEU A 90 -4.326 -0.237 -4.047 1.00 0.00 C ATOM 1464 CG LEU A 90 -5.662 -0.258 -3.301 1.00 0.00 C ATOM 1465 CD1 LEU A 90 -6.723 0.498 -4.083 1.00 0.00 C ATOM 1466 CD2 LEU A 90 -6.108 -1.690 -3.045 1.00 0.00 C ATOM 0 H LEU A 90 -3.472 2.082 -4.781 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.368 0.544 -2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.489 0.177 -5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.986 -1.264 -4.181 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.526 0.238 -2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.666 0.472 -3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.409 1.533 -4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.857 0.032 -5.059 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.060 -1.685 -2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.226 -2.210 -3.996 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.358 -2.202 -2.442 1.00 0.00 H new ATOM 1478 N LEU A 91 -1.431 -0.961 -2.773 1.00 0.00 N ATOM 1479 CA LEU A 91 -0.160 -1.659 -2.929 1.00 0.00 C ATOM 1480 C LEU A 91 -0.324 -3.142 -2.605 1.00 0.00 C ATOM 1481 O LEU A 91 -1.247 -3.527 -1.886 1.00 0.00 O ATOM 1482 CB LEU A 91 0.892 -1.040 -2.011 1.00 0.00 C ATOM 1483 CG LEU A 91 1.682 0.121 -2.616 1.00 0.00 C ATOM 1484 CD1 LEU A 91 0.766 1.303 -2.894 1.00 0.00 C ATOM 1485 CD2 LEU A 91 2.819 0.529 -1.689 1.00 0.00 C ATOM 0 H LEU A 91 -1.945 -1.213 -1.929 1.00 0.00 H new ATOM 0 HA LEU A 91 0.166 -1.561 -3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.399 -0.689 -1.104 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.593 -1.819 -1.712 1.00 0.00 H new ATOM 0 HG LEU A 91 2.111 -0.208 -3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.346 2.119 -3.324 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.013 1.003 -3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.308 1.635 -1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.372 1.356 -2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.411 0.841 -0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.490 -0.318 -1.541 1.00 0.00 H new ATOM 1497 N LYS A 92 0.570 -3.975 -3.133 1.00 0.00 N ATOM 1498 CA LYS A 92 0.500 -5.412 -2.883 1.00 0.00 C ATOM 1499 C LYS A 92 1.012 -5.741 -1.483 1.00 0.00 C ATOM 1500 O LYS A 92 2.157 -5.442 -1.141 1.00 0.00 O ATOM 1501 CB LYS A 92 1.318 -6.171 -3.932 1.00 0.00 C ATOM 1502 CG LYS A 92 0.688 -6.165 -5.315 1.00 0.00 C ATOM 1503 CD LYS A 92 -0.475 -7.140 -5.411 1.00 0.00 C ATOM 1504 CE LYS A 92 -0.310 -8.093 -6.584 1.00 0.00 C ATOM 1505 NZ LYS A 92 -1.013 -9.385 -6.354 1.00 0.00 N ATOM 0 H LYS A 92 1.344 -3.684 -3.730 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.543 -5.722 -2.952 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.313 -5.730 -3.993 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.446 -7.203 -3.604 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.340 -5.160 -5.551 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.442 -6.424 -6.059 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.550 -7.711 -4.485 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.407 -6.586 -5.520 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.698 -7.625 -7.489 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.750 -8.282 -6.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.876 -10.006 -7.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.626 -9.844 -5.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.029 -9.208 -6.219 1.00 0.00 H new ATOM 1519 N ALA A 93 0.154 -6.367 -0.679 1.00 0.00 N ATOM 1520 CA ALA A 93 0.508 -6.740 0.688 1.00 0.00 C ATOM 1521 C ALA A 93 1.834 -7.489 0.737 1.00 0.00 C ATOM 1522 O ALA A 93 2.678 -7.224 1.593 1.00 0.00 O ATOM 1523 CB ALA A 93 -0.596 -7.586 1.305 1.00 0.00 C ATOM 0 H ALA A 93 -0.794 -6.627 -0.952 1.00 0.00 H new ATOM 0 HA ALA A 93 0.621 -5.822 1.265 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.320 -7.858 2.324 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.525 -7.017 1.320 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.735 -8.491 0.713 1.00 0.00 H new ATOM 1529 N SER A 94 2.009 -8.427 -0.185 1.00 0.00 N ATOM 1530 CA SER A 94 3.230 -9.217 -0.246 1.00 0.00 C ATOM 1531 C SER A 94 4.453 -8.326 -0.437 1.00 0.00 C ATOM 1532 O SER A 94 5.514 -8.583 0.135 1.00 0.00 O ATOM 1533 CB SER A 94 3.145 -10.237 -1.384 1.00 0.00 C ATOM 1534 OG SER A 94 3.280 -9.605 -2.645 1.00 0.00 O ATOM 0 H SER A 94 1.320 -8.659 -0.901 1.00 0.00 H new ATOM 0 HA SER A 94 3.336 -9.745 0.702 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.927 -10.987 -1.264 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.190 -10.761 -1.336 1.00 0.00 H new ATOM 0 HG SER A 94 3.224 -10.278 -3.356 1.00 0.00 H new ATOM 1540 N GLU A 95 4.303 -7.277 -1.239 1.00 0.00 N ATOM 1541 CA GLU A 95 5.407 -6.361 -1.495 1.00 0.00 C ATOM 1542 C GLU A 95 5.754 -5.577 -0.235 1.00 0.00 C ATOM 1543 O GLU A 95 6.918 -5.502 0.163 1.00 0.00 O ATOM 1544 CB GLU A 95 5.055 -5.407 -2.636 1.00 0.00 C ATOM 1545 CG GLU A 95 5.609 -5.847 -3.983 1.00 0.00 C ATOM 1546 CD GLU A 95 4.520 -6.151 -4.993 1.00 0.00 C ATOM 1547 OE1 GLU A 95 3.930 -5.193 -5.535 1.00 0.00 O ATOM 1548 OE2 GLU A 95 4.259 -7.347 -5.243 1.00 0.00 O ATOM 0 H GLU A 95 3.434 -7.042 -1.719 1.00 0.00 H new ATOM 0 HA GLU A 95 6.279 -6.946 -1.788 1.00 0.00 H new ATOM 0 HB2 GLU A 95 3.971 -5.322 -2.707 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.438 -4.414 -2.401 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.257 -5.064 -4.378 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.228 -6.733 -3.845 1.00 0.00 H new ATOM 1555 N VAL A 96 4.735 -5.007 0.396 1.00 0.00 N ATOM 1556 CA VAL A 96 4.935 -4.242 1.617 1.00 0.00 C ATOM 1557 C VAL A 96 5.477 -5.136 2.723 1.00 0.00 C ATOM 1558 O VAL A 96 6.342 -4.730 3.496 1.00 0.00 O ATOM 1559 CB VAL A 96 3.626 -3.587 2.099 1.00 0.00 C ATOM 1560 CG1 VAL A 96 3.898 -2.647 3.263 1.00 0.00 C ATOM 1561 CG2 VAL A 96 2.940 -2.847 0.958 1.00 0.00 C ATOM 0 H VAL A 96 3.766 -5.060 0.083 1.00 0.00 H new ATOM 0 HA VAL A 96 5.655 -3.456 1.389 1.00 0.00 H new ATOM 0 HB VAL A 96 2.956 -4.375 2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.963 -2.193 3.591 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.338 -3.207 4.088 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.589 -1.866 2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 96 2.018 -2.393 1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.603 -2.069 0.578 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.707 -3.549 0.157 1.00 0.00 H new ATOM 1571 N GLU A 97 4.966 -6.360 2.785 1.00 0.00 N ATOM 1572 CA GLU A 97 5.397 -7.319 3.793 1.00 0.00 C ATOM 1573 C GLU A 97 6.893 -7.581 3.681 1.00 0.00 C ATOM 1574 O GLU A 97 7.610 -7.582 4.682 1.00 0.00 O ATOM 1575 CB GLU A 97 4.621 -8.630 3.650 1.00 0.00 C ATOM 1576 CG GLU A 97 3.475 -8.768 4.639 1.00 0.00 C ATOM 1577 CD GLU A 97 2.360 -9.655 4.120 1.00 0.00 C ATOM 1578 OE1 GLU A 97 2.666 -10.660 3.445 1.00 0.00 O ATOM 1579 OE2 GLU A 97 1.181 -9.346 4.391 1.00 0.00 O ATOM 0 H GLU A 97 4.251 -6.711 2.148 1.00 0.00 H new ATOM 0 HA GLU A 97 5.192 -6.895 4.776 1.00 0.00 H new ATOM 0 HB2 GLU A 97 4.226 -8.700 2.637 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.308 -9.466 3.783 1.00 0.00 H new ATOM 0 HG2 GLU A 97 3.855 -9.178 5.575 1.00 0.00 H new ATOM 0 HG3 GLU A 97 3.073 -7.780 4.864 1.00 0.00 H new ATOM 1586 N GLU A 98 7.362 -7.797 2.457 1.00 0.00 N ATOM 1587 CA GLU A 98 8.777 -8.053 2.224 1.00 0.00 C ATOM 1588 C GLU A 98 9.621 -6.858 2.660 1.00 0.00 C ATOM 1589 O GLU A 98 10.613 -7.007 3.379 1.00 0.00 O ATOM 1590 CB GLU A 98 9.020 -8.335 0.744 1.00 0.00 C ATOM 1591 CG GLU A 98 8.196 -9.480 0.189 1.00 0.00 C ATOM 1592 CD GLU A 98 8.953 -10.795 0.178 1.00 0.00 C ATOM 1593 OE1 GLU A 98 10.198 -10.765 0.263 1.00 0.00 O ATOM 1594 OE2 GLU A 98 8.298 -11.855 0.083 1.00 0.00 O ATOM 0 H GLU A 98 6.786 -7.800 1.615 1.00 0.00 H new ATOM 0 HA GLU A 98 9.068 -8.923 2.813 1.00 0.00 H new ATOM 0 HB2 GLU A 98 8.801 -7.433 0.172 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.077 -8.557 0.596 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.290 -9.592 0.784 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.882 -9.238 -0.826 1.00 0.00 H new ATOM 1601 N ILE A 99 9.212 -5.665 2.237 1.00 0.00 N ATOM 1602 CA ILE A 99 9.937 -4.455 2.601 1.00 0.00 C ATOM 1603 C ILE A 99 9.929 -4.290 4.111 1.00 0.00 C ATOM 1604 O ILE A 99 10.933 -3.908 4.713 1.00 0.00 O ATOM 1605 CB ILE A 99 9.349 -3.190 1.938 1.00 0.00 C ATOM 1606 CG1 ILE A 99 9.065 -3.432 0.453 1.00 0.00 C ATOM 1607 CG2 ILE A 99 10.308 -2.019 2.103 1.00 0.00 C ATOM 1608 CD1 ILE A 99 7.848 -2.692 -0.056 1.00 0.00 C ATOM 0 H ILE A 99 8.393 -5.512 1.649 1.00 0.00 H new ATOM 0 HA ILE A 99 10.958 -4.567 2.237 1.00 0.00 H new ATOM 0 HB ILE A 99 8.407 -2.952 2.432 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.935 -3.129 -0.129 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.927 -4.500 0.287 1.00 0.00 H new ATOM 0 HG21 ILE A 99 9.884 -1.132 1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 99 10.467 -1.826 3.164 1.00 0.00 H new ATOM 0 HG23 ILE A 99 11.261 -2.260 1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.706 -2.909 -1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.968 -3.013 0.501 1.00 0.00 H new ATOM 0 HD13 ILE A 99 7.992 -1.620 0.078 1.00 0.00 H new ATOM 1620 N LEU A 100 8.793 -4.610 4.720 1.00 0.00 N ATOM 1621 CA LEU A 100 8.660 -4.527 6.168 1.00 0.00 C ATOM 1622 C LEU A 100 9.586 -5.540 6.832 1.00 0.00 C ATOM 1623 O LEU A 100 10.163 -5.275 7.885 1.00 0.00 O ATOM 1624 CB LEU A 100 7.211 -4.786 6.593 1.00 0.00 C ATOM 1625 CG LEU A 100 6.220 -3.655 6.295 1.00 0.00 C ATOM 1626 CD1 LEU A 100 4.957 -3.835 7.119 1.00 0.00 C ATOM 1627 CD2 LEU A 100 6.847 -2.295 6.570 1.00 0.00 C ATOM 0 H LEU A 100 7.954 -4.928 4.235 1.00 0.00 H new ATOM 0 HA LEU A 100 8.939 -3.522 6.485 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.862 -5.691 6.096 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.196 -4.985 7.665 1.00 0.00 H new ATOM 0 HG LEU A 100 5.959 -3.698 5.238 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.261 -3.026 6.899 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.494 -4.790 6.871 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.209 -3.819 8.179 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.124 -1.510 6.351 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.141 -2.235 7.618 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.726 -2.165 5.939 1.00 0.00 H new ATOM 1639 N ASP A 101 9.732 -6.698 6.191 1.00 0.00 N ATOM 1640 CA ASP A 101 10.604 -7.753 6.700 1.00 0.00 C ATOM 1641 C ASP A 101 12.064 -7.426 6.395 1.00 0.00 C ATOM 1642 O ASP A 101 12.980 -8.048 6.934 1.00 0.00 O ATOM 1643 CB ASP A 101 10.228 -9.100 6.082 1.00 0.00 C ATOM 1644 CG ASP A 101 10.403 -10.251 7.054 1.00 0.00 C ATOM 1645 OD1 ASP A 101 9.715 -10.259 8.096 1.00 0.00 O ATOM 1646 OD2 ASP A 101 11.231 -11.144 6.773 1.00 0.00 O ATOM 0 H ASP A 101 9.257 -6.929 5.318 1.00 0.00 H new ATOM 0 HA ASP A 101 10.476 -7.816 7.781 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.192 -9.066 5.746 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.843 -9.276 5.200 1.00 0.00 H new ATOM 1651 N GLY A 102 12.267 -6.441 5.523 1.00 0.00 N ATOM 1652 CA GLY A 102 13.605 -6.029 5.145 1.00 0.00 C ATOM 1653 C GLY A 102 14.028 -6.580 3.798 1.00 0.00 C ATOM 1654 O GLY A 102 15.151 -6.346 3.350 1.00 0.00 O ATOM 0 H GLY A 102 11.519 -5.917 5.069 1.00 0.00 H new ATOM 0 HA2 GLY A 102 13.652 -4.940 5.119 1.00 0.00 H new ATOM 0 HA3 GLY A 102 14.311 -6.360 5.906 1.00 0.00 H new ATOM 1658 N ASN A 103 13.115 -7.277 3.132 1.00 0.00 N ATOM 1659 CA ASN A 103 13.385 -7.819 1.810 1.00 0.00 C ATOM 1660 C ASN A 103 12.676 -6.970 0.763 1.00 0.00 C ATOM 1661 O ASN A 103 11.449 -6.962 0.695 1.00 0.00 O ATOM 1662 CB ASN A 103 12.918 -9.272 1.718 1.00 0.00 C ATOM 1663 CG ASN A 103 13.360 -9.941 0.430 1.00 0.00 C ATOM 1664 OD1 ASN A 103 14.464 -10.477 0.342 1.00 0.00 O ATOM 1665 ND2 ASN A 103 12.496 -9.912 -0.578 1.00 0.00 N ATOM 0 H ASN A 103 12.181 -7.479 3.488 1.00 0.00 H new ATOM 0 HA ASN A 103 14.460 -7.796 1.629 1.00 0.00 H new ATOM 0 HB2 ASN A 103 13.310 -9.831 2.568 1.00 0.00 H new ATOM 0 HB3 ASN A 103 11.831 -9.306 1.788 1.00 0.00 H new ATOM 0 HD21 ASN A 103 12.737 -10.345 -1.469 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.591 -9.456 -0.461 1.00 0.00 H new ATOM 1672 N ASP A 104 13.436 -6.242 -0.041 1.00 0.00 N ATOM 1673 CA ASP A 104 12.828 -5.388 -1.056 1.00 0.00 C ATOM 1674 C ASP A 104 13.846 -4.867 -2.068 1.00 0.00 C ATOM 1675 O ASP A 104 13.570 -3.911 -2.790 1.00 0.00 O ATOM 1676 CB ASP A 104 12.129 -4.210 -0.379 1.00 0.00 C ATOM 1677 CG ASP A 104 13.037 -3.479 0.591 1.00 0.00 C ATOM 1678 OD1 ASP A 104 13.445 -4.093 1.599 1.00 0.00 O ATOM 1679 OD2 ASP A 104 13.341 -2.294 0.342 1.00 0.00 O ATOM 0 H ASP A 104 14.455 -6.223 -0.015 1.00 0.00 H new ATOM 0 HA ASP A 104 12.107 -5.995 -1.604 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.778 -3.513 -1.140 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.249 -4.570 0.153 1.00 0.00 H new ATOM 1684 N GLU A 105 15.012 -5.497 -2.125 1.00 0.00 N ATOM 1685 CA GLU A 105 16.057 -5.083 -3.056 1.00 0.00 C ATOM 1686 C GLU A 105 15.552 -5.114 -4.495 1.00 0.00 C ATOM 1687 O GLU A 105 15.949 -4.293 -5.321 1.00 0.00 O ATOM 1688 CB GLU A 105 17.286 -5.984 -2.910 1.00 0.00 C ATOM 1689 CG GLU A 105 18.403 -5.358 -2.091 1.00 0.00 C ATOM 1690 CD GLU A 105 19.391 -6.384 -1.572 1.00 0.00 C ATOM 1691 OE1 GLU A 105 19.332 -6.709 -0.367 1.00 0.00 O ATOM 1692 OE2 GLU A 105 20.225 -6.862 -2.370 1.00 0.00 O ATOM 0 H GLU A 105 15.259 -6.295 -1.540 1.00 0.00 H new ATOM 0 HA GLU A 105 16.338 -4.058 -2.815 1.00 0.00 H new ATOM 0 HB2 GLU A 105 16.986 -6.922 -2.443 1.00 0.00 H new ATOM 0 HB3 GLU A 105 17.667 -6.229 -3.901 1.00 0.00 H new ATOM 0 HG2 GLU A 105 18.932 -4.627 -2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 105 17.972 -4.816 -1.249 1.00 0.00 H new ATOM 1699 N LYS A 106 14.675 -6.068 -4.787 1.00 0.00 N ATOM 1700 CA LYS A 106 14.115 -6.204 -6.125 1.00 0.00 C ATOM 1701 C LYS A 106 13.090 -5.107 -6.402 1.00 0.00 C ATOM 1702 O LYS A 106 12.844 -4.753 -7.555 1.00 0.00 O ATOM 1703 CB LYS A 106 13.465 -7.580 -6.291 1.00 0.00 C ATOM 1704 CG LYS A 106 12.248 -7.792 -5.404 1.00 0.00 C ATOM 1705 CD LYS A 106 12.551 -8.739 -4.253 1.00 0.00 C ATOM 1706 CE LYS A 106 12.938 -10.122 -4.755 1.00 0.00 C ATOM 1707 NZ LYS A 106 14.092 -10.684 -4.001 1.00 0.00 N ATOM 0 H LYS A 106 14.337 -6.758 -4.116 1.00 0.00 H new ATOM 0 HA LYS A 106 14.929 -6.105 -6.844 1.00 0.00 H new ATOM 0 HB2 LYS A 106 13.172 -7.710 -7.333 1.00 0.00 H new ATOM 0 HB3 LYS A 106 14.204 -8.350 -6.069 1.00 0.00 H new ATOM 0 HG2 LYS A 106 11.914 -6.833 -5.008 1.00 0.00 H new ATOM 0 HG3 LYS A 106 11.428 -8.194 -6.000 1.00 0.00 H new ATOM 0 HD2 LYS A 106 13.361 -8.331 -3.648 1.00 0.00 H new ATOM 0 HD3 LYS A 106 11.678 -8.817 -3.605 1.00 0.00 H new ATOM 0 HE2 LYS A 106 12.084 -10.793 -4.664 1.00 0.00 H new ATOM 0 HE3 LYS A 106 13.189 -10.067 -5.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 14.086 -11.721 -4.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 14.979 -10.313 -4.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 14.019 -10.411 -3.000 1.00 0.00 H new ATOM 1721 N TYR A 107 12.491 -4.577 -5.340 1.00 0.00 N ATOM 1722 CA TYR A 107 11.494 -3.529 -5.470 1.00 0.00 C ATOM 1723 C TYR A 107 12.142 -2.157 -5.630 1.00 0.00 C ATOM 1724 O TYR A 107 11.589 -1.273 -6.286 1.00 0.00 O ATOM 1725 CB TYR A 107 10.595 -3.515 -4.238 1.00 0.00 C ATOM 1726 CG TYR A 107 9.908 -4.826 -3.947 1.00 0.00 C ATOM 1727 CD1 TYR A 107 9.191 -5.495 -4.929 1.00 0.00 C ATOM 1728 CD2 TYR A 107 9.968 -5.386 -2.680 1.00 0.00 C ATOM 1729 CE1 TYR A 107 8.552 -6.689 -4.654 1.00 0.00 C ATOM 1730 CE2 TYR A 107 9.336 -6.578 -2.396 1.00 0.00 C ATOM 1731 CZ TYR A 107 8.628 -7.227 -3.386 1.00 0.00 C ATOM 1732 OH TYR A 107 7.995 -8.417 -3.107 1.00 0.00 O ATOM 0 H TYR A 107 12.682 -4.860 -4.379 1.00 0.00 H new ATOM 0 HA TYR A 107 10.906 -3.740 -6.363 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.193 -3.233 -3.371 1.00 0.00 H new ATOM 0 HB3 TYR A 107 9.836 -2.743 -4.367 1.00 0.00 H new ATOM 0 HD1 TYR A 107 9.132 -5.076 -5.923 1.00 0.00 H new ATOM 0 HD2 TYR A 107 10.520 -4.879 -1.902 1.00 0.00 H new ATOM 0 HE1 TYR A 107 7.996 -7.198 -5.427 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.395 -7.001 -1.404 1.00 0.00 H new ATOM 0 HH TYR A 107 8.665 -9.120 -2.971 1.00 0.00 H new ATOM 1742 N LYS A 108 13.304 -1.976 -5.012 1.00 0.00 N ATOM 1743 CA LYS A 108 14.009 -0.696 -5.072 1.00 0.00 C ATOM 1744 C LYS A 108 14.792 -0.550 -6.377 1.00 0.00 C ATOM 1745 O LYS A 108 15.156 0.560 -6.768 1.00 0.00 O ATOM 1746 CB LYS A 108 14.970 -0.531 -3.882 1.00 0.00 C ATOM 1747 CG LYS A 108 14.754 -1.519 -2.747 1.00 0.00 C ATOM 1748 CD LYS A 108 15.435 -1.059 -1.469 1.00 0.00 C ATOM 1749 CE LYS A 108 14.898 0.283 -0.999 1.00 0.00 C ATOM 1750 NZ LYS A 108 15.904 1.370 -1.154 1.00 0.00 N ATOM 0 H LYS A 108 13.778 -2.695 -4.465 1.00 0.00 H new ATOM 0 HA LYS A 108 13.249 0.084 -5.027 1.00 0.00 H new ATOM 0 HB2 LYS A 108 15.994 -0.632 -4.243 1.00 0.00 H new ATOM 0 HB3 LYS A 108 14.869 0.481 -3.489 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.686 -1.640 -2.568 1.00 0.00 H new ATOM 0 HG3 LYS A 108 15.142 -2.496 -3.035 1.00 0.00 H new ATOM 0 HD2 LYS A 108 15.286 -1.805 -0.688 1.00 0.00 H new ATOM 0 HD3 LYS A 108 16.509 -0.983 -1.636 1.00 0.00 H new ATOM 0 HE2 LYS A 108 14.002 0.534 -1.567 1.00 0.00 H new ATOM 0 HE3 LYS A 108 14.602 0.209 0.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 15.450 2.290 -0.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 16.673 1.232 -0.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 16.293 1.348 -2.118 1.00 0.00 H new ATOM 1764 N ALA A 109 15.066 -1.671 -7.040 1.00 0.00 N ATOM 1765 CA ALA A 109 15.826 -1.649 -8.287 1.00 0.00 C ATOM 1766 C ALA A 109 14.998 -2.136 -9.474 1.00 0.00 C ATOM 1767 O ALA A 109 15.543 -2.698 -10.423 1.00 0.00 O ATOM 1768 CB ALA A 109 17.080 -2.494 -8.144 1.00 0.00 C ATOM 0 H ALA A 109 14.775 -2.601 -6.737 1.00 0.00 H new ATOM 0 HA ALA A 109 16.102 -0.613 -8.485 1.00 0.00 H new ATOM 0 HB1 ALA A 109 17.642 -2.473 -9.078 1.00 0.00 H new ATOM 0 HB2 ALA A 109 17.698 -2.095 -7.340 1.00 0.00 H new ATOM 0 HB3 ALA A 109 16.802 -3.522 -7.911 1.00 0.00 H new