USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=15 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 44 TYR OH : rot -30:sc= -1.75 USER MOD Set 1.2: A 89 THR OG1 : rot 26:sc= 0.0384 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00076) USER MOD Single : A 18 GLN : amide:sc= -2.35 X(o=-2.3,f=-2.7) USER MOD Single : A 26 TYR OH : rot 165:sc= 0 USER MOD Single : A 27 MET CE :methyl -149:sc= -0.168 (180deg=-1.9!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -5.65! 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 -146:sc= -2.07 (180deg=-3.76!) USER MOD Single : A 42 SER OG : rot 89:sc= 0.197 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 15:sc= -0.918 USER MOD Single : A 49 SER OG : rot -177:sc= -0.0108 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.324 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc=0.000419 USER MOD Single : A 103 ASN : amide:sc= -1.27 K(o=-1.3,f=-0.087) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 TYR OH : rot 149:sc= 1.2 USER MOD Single : A 108 LYS NZ :NH3+ -162:sc= -0.679 (180deg=-0.994) USER MOD ----------------------------------------------------------------- ATOM 192 N LYS A 13 1.886 -1.333 12.025 1.00 0.00 N ATOM 193 CA LYS A 13 1.861 -1.790 10.640 1.00 0.00 C ATOM 194 C LYS A 13 0.776 -1.051 9.857 1.00 0.00 C ATOM 195 O LYS A 13 -0.281 -0.728 10.401 1.00 0.00 O ATOM 196 CB LYS A 13 1.608 -3.305 10.594 1.00 0.00 C ATOM 197 CG LYS A 13 1.363 -3.861 9.196 1.00 0.00 C ATOM 198 CD LYS A 13 2.638 -4.428 8.591 1.00 0.00 C ATOM 199 CE LYS A 13 3.035 -5.737 9.254 1.00 0.00 C ATOM 200 NZ LYS A 13 2.313 -6.899 8.666 1.00 0.00 N ATOM 0 HA LYS A 13 2.827 -1.577 10.181 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.465 -3.818 11.030 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.746 -3.536 11.220 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.602 -4.641 9.241 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.973 -3.072 8.553 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.495 -4.589 7.523 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.446 -3.705 8.699 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.110 -5.886 9.148 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.824 -5.681 10.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.612 -7.772 9.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.288 -6.770 8.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.534 -6.968 7.652 1.00 0.00 H new ATOM 214 N PRO A 14 1.032 -0.757 8.567 1.00 0.00 N ATOM 215 CA PRO A 14 0.078 -0.033 7.720 1.00 0.00 C ATOM 216 C PRO A 14 -1.249 -0.767 7.594 1.00 0.00 C ATOM 217 O PRO A 14 -1.331 -1.971 7.837 1.00 0.00 O ATOM 218 CB PRO A 14 0.776 0.035 6.358 1.00 0.00 C ATOM 219 CG PRO A 14 2.223 -0.164 6.654 1.00 0.00 C ATOM 220 CD PRO A 14 2.276 -1.079 7.843 1.00 0.00 C ATOM 0 HA PRO A 14 -0.168 0.945 8.134 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.402 -0.736 5.684 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.601 0.995 5.873 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.740 -0.602 5.800 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.712 0.786 6.870 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.309 -2.127 7.544 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.159 -0.894 8.455 1.00 0.00 H new ATOM 228 N VAL A 15 -2.291 -0.031 7.226 1.00 0.00 N ATOM 229 CA VAL A 15 -3.617 -0.612 7.084 1.00 0.00 C ATOM 230 C VAL A 15 -3.716 -1.489 5.839 1.00 0.00 C ATOM 231 O VAL A 15 -3.559 -1.013 4.705 1.00 0.00 O ATOM 232 CB VAL A 15 -4.710 0.475 7.037 1.00 0.00 C ATOM 233 CG1 VAL A 15 -4.628 1.369 8.265 1.00 0.00 C ATOM 234 CG2 VAL A 15 -4.607 1.292 5.760 1.00 0.00 C ATOM 0 H VAL A 15 -2.242 0.967 7.021 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.779 -1.234 7.964 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.682 -0.017 7.040 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.407 2.130 8.214 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.767 0.767 9.163 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.651 1.852 8.299 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.388 2.052 5.750 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.631 1.775 5.715 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.728 0.636 4.898 1.00 0.00 H new ATOM 244 N LYS A 16 -3.984 -2.772 6.072 1.00 0.00 N ATOM 245 CA LYS A 16 -4.123 -3.746 4.999 1.00 0.00 C ATOM 246 C LYS A 16 -5.558 -4.257 4.938 1.00 0.00 C ATOM 247 O LYS A 16 -6.254 -4.296 5.953 1.00 0.00 O ATOM 248 CB LYS A 16 -3.158 -4.917 5.213 1.00 0.00 C ATOM 249 CG LYS A 16 -3.324 -5.610 6.556 1.00 0.00 C ATOM 250 CD LYS A 16 -3.043 -7.101 6.449 1.00 0.00 C ATOM 251 CE LYS A 16 -1.866 -7.512 7.320 1.00 0.00 C ATOM 252 NZ LYS A 16 -2.189 -7.420 8.771 1.00 0.00 N ATOM 0 H LYS A 16 -4.110 -3.161 7.006 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.879 -3.260 4.054 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.305 -5.647 4.417 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.134 -4.553 5.126 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.648 -5.162 7.284 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.338 -5.455 6.925 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.930 -7.661 6.746 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.836 -7.359 5.411 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.574 -8.534 7.077 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.010 -6.875 7.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.366 -7.725 9.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.426 -6.437 9.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.000 -8.034 8.986 1.00 0.00 H new ATOM 266 N PHE A 17 -6.001 -4.642 3.747 1.00 0.00 N ATOM 267 CA PHE A 17 -7.360 -5.142 3.570 1.00 0.00 C ATOM 268 C PHE A 17 -7.431 -6.150 2.431 1.00 0.00 C ATOM 269 O PHE A 17 -6.483 -6.302 1.663 1.00 0.00 O ATOM 270 CB PHE A 17 -8.316 -3.981 3.291 1.00 0.00 C ATOM 271 CG PHE A 17 -7.808 -3.031 2.245 1.00 0.00 C ATOM 272 CD1 PHE A 17 -7.908 -3.343 0.898 1.00 0.00 C ATOM 273 CD2 PHE A 17 -7.230 -1.827 2.610 1.00 0.00 C ATOM 274 CE1 PHE A 17 -7.438 -2.472 -0.065 1.00 0.00 C ATOM 275 CE2 PHE A 17 -6.758 -0.951 1.652 1.00 0.00 C ATOM 276 CZ PHE A 17 -6.861 -1.273 0.312 1.00 0.00 C ATOM 0 H PHE A 17 -5.443 -4.618 2.894 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.656 -5.643 4.492 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.279 -4.381 2.972 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.490 -3.432 4.217 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -8.359 -4.278 0.598 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.147 -1.570 3.656 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.521 -2.727 -1.111 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.309 -0.015 1.950 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.492 -0.590 -0.439 1.00 0.00 H new ATOM 286 N GLN A 18 -8.567 -6.832 2.325 1.00 0.00 N ATOM 287 CA GLN A 18 -8.767 -7.822 1.276 1.00 0.00 C ATOM 288 C GLN A 18 -9.647 -7.255 0.168 1.00 0.00 C ATOM 289 O GLN A 18 -10.733 -6.737 0.428 1.00 0.00 O ATOM 290 CB GLN A 18 -9.406 -9.086 1.853 1.00 0.00 C ATOM 291 CG GLN A 18 -8.958 -10.361 1.163 1.00 0.00 C ATOM 292 CD GLN A 18 -10.115 -11.282 0.832 1.00 0.00 C ATOM 293 OE1 GLN A 18 -11.174 -10.834 0.393 1.00 0.00 O ATOM 294 NE2 GLN A 18 -9.917 -12.577 1.041 1.00 0.00 N ATOM 0 H GLN A 18 -9.362 -6.716 2.953 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.794 -8.078 0.856 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.166 -9.153 2.914 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.490 -9.003 1.776 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.427 -10.106 0.246 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.251 -10.888 1.804 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.022 -12.904 1.406 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.659 -13.246 0.836 1.00 0.00 H new ATOM 303 N LEU A 19 -9.171 -7.353 -1.069 1.00 0.00 N ATOM 304 CA LEU A 19 -9.915 -6.844 -2.214 1.00 0.00 C ATOM 305 C LEU A 19 -10.521 -7.986 -3.025 1.00 0.00 C ATOM 306 O LEU A 19 -11.580 -7.832 -3.634 1.00 0.00 O ATOM 307 CB LEU A 19 -9.004 -5.998 -3.106 1.00 0.00 C ATOM 308 CG LEU A 19 -8.754 -4.572 -2.611 1.00 0.00 C ATOM 309 CD1 LEU A 19 -7.946 -3.791 -3.634 1.00 0.00 C ATOM 310 CD2 LEU A 19 -10.071 -3.869 -2.319 1.00 0.00 C ATOM 0 H LEU A 19 -8.275 -7.780 -1.303 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.726 -6.221 -1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.044 -6.506 -3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.442 -5.948 -4.103 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.181 -4.623 -1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.776 -2.779 -3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.987 -4.284 -3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.494 -3.749 -4.575 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.873 -2.856 -1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.671 -3.827 -3.228 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.615 -4.419 -1.551 1.00 0.00 H new ATOM 322 N GLU A 20 -9.845 -9.131 -3.029 1.00 0.00 N ATOM 323 CA GLU A 20 -10.322 -10.294 -3.770 1.00 0.00 C ATOM 324 C GLU A 20 -10.632 -11.454 -2.829 1.00 0.00 C ATOM 325 O GLU A 20 -9.942 -11.660 -1.830 1.00 0.00 O ATOM 326 CB GLU A 20 -9.287 -10.728 -4.810 1.00 0.00 C ATOM 327 CG GLU A 20 -8.680 -9.568 -5.584 1.00 0.00 C ATOM 328 CD GLU A 20 -8.744 -9.771 -7.085 1.00 0.00 C ATOM 329 OE1 GLU A 20 -9.866 -9.891 -7.621 1.00 0.00 O ATOM 330 OE2 GLU A 20 -7.672 -9.810 -7.726 1.00 0.00 O ATOM 0 H GLU A 20 -8.968 -9.278 -2.529 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.242 -10.010 -4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.489 -11.277 -4.310 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.756 -11.417 -5.512 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.204 -8.648 -5.323 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.640 -9.439 -5.283 1.00 0.00 H new ATOM 337 N ASP A 21 -11.675 -12.207 -3.159 1.00 0.00 N ATOM 338 CA ASP A 21 -12.093 -13.352 -2.354 1.00 0.00 C ATOM 339 C ASP A 21 -11.053 -14.472 -2.381 1.00 0.00 C ATOM 340 O ASP A 21 -11.136 -15.421 -1.601 1.00 0.00 O ATOM 341 CB ASP A 21 -13.438 -13.882 -2.851 1.00 0.00 C ATOM 342 CG ASP A 21 -13.420 -14.209 -4.331 1.00 0.00 C ATOM 343 OD1 ASP A 21 -12.356 -14.631 -4.833 1.00 0.00 O ATOM 344 OD2 ASP A 21 -14.468 -14.043 -4.989 1.00 0.00 O ATOM 0 H ASP A 21 -12.251 -12.044 -3.985 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.193 -13.011 -1.323 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.703 -14.776 -2.287 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.212 -13.140 -2.655 1.00 0.00 H new ATOM 349 N ASP A 22 -10.085 -14.371 -3.288 1.00 0.00 N ATOM 350 CA ASP A 22 -9.049 -15.391 -3.415 1.00 0.00 C ATOM 351 C ASP A 22 -7.941 -15.209 -2.376 1.00 0.00 C ATOM 352 O ASP A 22 -6.991 -15.990 -2.334 1.00 0.00 O ATOM 353 CB ASP A 22 -8.452 -15.360 -4.825 1.00 0.00 C ATOM 354 CG ASP A 22 -8.642 -16.672 -5.562 1.00 0.00 C ATOM 355 OD1 ASP A 22 -9.762 -16.918 -6.057 1.00 0.00 O ATOM 356 OD2 ASP A 22 -7.670 -17.452 -5.646 1.00 0.00 O ATOM 0 H ASP A 22 -9.997 -13.595 -3.944 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.516 -16.360 -3.236 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.916 -14.555 -5.395 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.388 -15.133 -4.761 1.00 0.00 H new ATOM 361 N GLY A 23 -8.068 -14.187 -1.533 1.00 0.00 N ATOM 362 CA GLY A 23 -7.068 -13.952 -0.508 1.00 0.00 C ATOM 363 C GLY A 23 -6.098 -12.842 -0.866 1.00 0.00 C ATOM 364 O GLY A 23 -4.972 -12.813 -0.367 1.00 0.00 O ATOM 0 H GLY A 23 -8.841 -13.522 -1.542 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.568 -13.702 0.428 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.510 -14.872 -0.335 1.00 0.00 H new ATOM 368 N GLU A 24 -6.530 -11.925 -1.723 1.00 0.00 N ATOM 369 CA GLU A 24 -5.682 -10.810 -2.130 1.00 0.00 C ATOM 370 C GLU A 24 -5.721 -9.700 -1.087 1.00 0.00 C ATOM 371 O GLU A 24 -6.772 -9.109 -0.836 1.00 0.00 O ATOM 372 CB GLU A 24 -6.128 -10.265 -3.488 1.00 0.00 C ATOM 373 CG GLU A 24 -5.865 -11.217 -4.643 1.00 0.00 C ATOM 374 CD GLU A 24 -4.418 -11.666 -4.711 1.00 0.00 C ATOM 375 OE1 GLU A 24 -3.678 -11.154 -5.576 1.00 0.00 O ATOM 376 OE2 GLU A 24 -4.027 -12.529 -3.897 1.00 0.00 O ATOM 0 H GLU A 24 -7.457 -11.930 -2.148 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.659 -11.175 -2.216 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.194 -10.042 -3.448 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.612 -9.324 -3.679 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.508 -12.091 -4.542 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.135 -10.729 -5.580 1.00 0.00 H new ATOM 383 N PHE A 25 -4.573 -9.421 -0.479 1.00 0.00 N ATOM 384 CA PHE A 25 -4.484 -8.385 0.539 1.00 0.00 C ATOM 385 C PHE A 25 -3.644 -7.209 0.057 1.00 0.00 C ATOM 386 O PHE A 25 -2.535 -7.387 -0.446 1.00 0.00 O ATOM 387 CB PHE A 25 -3.891 -8.957 1.827 1.00 0.00 C ATOM 388 CG PHE A 25 -4.929 -9.418 2.809 1.00 0.00 C ATOM 389 CD1 PHE A 25 -5.547 -10.649 2.654 1.00 0.00 C ATOM 390 CD2 PHE A 25 -5.290 -8.622 3.886 1.00 0.00 C ATOM 391 CE1 PHE A 25 -6.504 -11.078 3.552 1.00 0.00 C ATOM 392 CE2 PHE A 25 -6.247 -9.047 4.788 1.00 0.00 C ATOM 393 CZ PHE A 25 -6.855 -10.276 4.620 1.00 0.00 C ATOM 0 H PHE A 25 -3.693 -9.898 -0.674 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.493 -8.024 0.738 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.240 -9.795 1.578 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.267 -8.198 2.299 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.277 -11.280 1.821 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.818 -7.660 4.021 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.977 -12.040 3.419 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.519 -8.419 5.623 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.604 -10.609 5.323 1.00 0.00 H new ATOM 403 N TYR A 26 -4.179 -6.004 0.222 1.00 0.00 N ATOM 404 CA TYR A 26 -3.482 -4.793 -0.186 1.00 0.00 C ATOM 405 C TYR A 26 -3.334 -3.836 0.987 1.00 0.00 C ATOM 406 O TYR A 26 -3.976 -4.003 2.024 1.00 0.00 O ATOM 407 CB TYR A 26 -4.220 -4.099 -1.329 1.00 0.00 C ATOM 408 CG TYR A 26 -4.251 -4.905 -2.609 1.00 0.00 C ATOM 409 CD1 TYR A 26 -5.213 -5.887 -2.814 1.00 0.00 C ATOM 410 CD2 TYR A 26 -3.315 -4.686 -3.609 1.00 0.00 C ATOM 411 CE1 TYR A 26 -5.238 -6.626 -3.982 1.00 0.00 C ATOM 412 CE2 TYR A 26 -3.333 -5.420 -4.778 1.00 0.00 C ATOM 413 CZ TYR A 26 -4.296 -6.390 -4.960 1.00 0.00 C ATOM 414 OH TYR A 26 -4.317 -7.122 -6.124 1.00 0.00 O ATOM 0 H TYR A 26 -5.096 -5.841 0.637 1.00 0.00 H new ATOM 0 HA TYR A 26 -2.490 -5.082 -0.534 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -5.243 -3.891 -1.016 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.745 -3.138 -1.526 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.952 -6.076 -2.049 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.559 -3.928 -3.471 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -5.992 -7.385 -4.128 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.597 -5.235 -5.546 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.755 -6.683 -6.797 1.00 0.00 H new ATOM 424 N MET A 27 -2.485 -2.836 0.813 1.00 0.00 N ATOM 425 CA MET A 27 -2.241 -1.842 1.852 1.00 0.00 C ATOM 426 C MET A 27 -2.325 -0.436 1.278 1.00 0.00 C ATOM 427 O MET A 27 -1.997 -0.215 0.111 1.00 0.00 O ATOM 428 CB MET A 27 -0.864 -2.059 2.484 1.00 0.00 C ATOM 429 CG MET A 27 -0.898 -2.916 3.737 1.00 0.00 C ATOM 430 SD MET A 27 -0.033 -4.487 3.534 1.00 0.00 S ATOM 431 CE MET A 27 1.217 -4.357 4.810 1.00 0.00 C ATOM 0 H MET A 27 -1.949 -2.689 -0.042 1.00 0.00 H new ATOM 0 HA MET A 27 -3.008 -1.956 2.618 1.00 0.00 H new ATOM 0 HB2 MET A 27 -0.207 -2.528 1.751 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.429 -1.090 2.728 1.00 0.00 H new ATOM 0 HG2 MET A 27 -0.449 -2.363 4.562 1.00 0.00 H new ATOM 0 HG3 MET A 27 -1.935 -3.110 4.011 1.00 0.00 H new ATOM 0 HE1 MET A 27 2.111 -4.898 4.500 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.465 -3.308 4.971 1.00 0.00 H new ATOM 0 HE3 MET A 27 0.837 -4.786 5.737 1.00 0.00 H new ATOM 441 N ILE A 28 -2.756 0.518 2.098 1.00 0.00 N ATOM 442 CA ILE A 28 -2.862 1.900 1.641 1.00 0.00 C ATOM 443 C ILE A 28 -1.486 2.562 1.593 1.00 0.00 C ATOM 444 O ILE A 28 -0.778 2.629 2.602 1.00 0.00 O ATOM 445 CB ILE A 28 -3.805 2.736 2.525 1.00 0.00 C ATOM 446 CG1 ILE A 28 -5.123 1.991 2.744 1.00 0.00 C ATOM 447 CG2 ILE A 28 -4.066 4.087 1.880 1.00 0.00 C ATOM 448 CD1 ILE A 28 -6.131 2.769 3.562 1.00 0.00 C ATOM 0 H ILE A 28 -3.034 0.364 3.067 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.285 1.865 0.637 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.329 2.896 3.493 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.561 1.752 1.775 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.917 1.044 3.243 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.734 4.670 2.514 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.123 4.621 1.759 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.528 3.941 0.904 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.040 2.179 3.676 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.713 2.985 4.545 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.367 3.704 3.055 1.00 0.00 H new ATOM 460 N GLY A 29 -1.110 3.038 0.408 1.00 0.00 N ATOM 461 CA GLY A 29 0.188 3.668 0.234 1.00 0.00 C ATOM 462 C GLY A 29 0.432 4.807 1.200 1.00 0.00 C ATOM 463 O GLY A 29 1.573 5.073 1.576 1.00 0.00 O ATOM 0 H GLY A 29 -1.682 2.998 -0.436 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.969 2.918 0.362 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.269 4.042 -0.787 1.00 0.00 H new ATOM 467 N SER A 30 -0.636 5.476 1.617 1.00 0.00 N ATOM 468 CA SER A 30 -0.510 6.578 2.559 1.00 0.00 C ATOM 469 C SER A 30 0.069 6.075 3.877 1.00 0.00 C ATOM 470 O SER A 30 0.929 6.722 4.484 1.00 0.00 O ATOM 471 CB SER A 30 -1.870 7.234 2.798 1.00 0.00 C ATOM 472 OG SER A 30 -1.761 8.320 3.701 1.00 0.00 O ATOM 0 H SER A 30 -1.591 5.276 1.320 1.00 0.00 H new ATOM 0 HA SER A 30 0.165 7.322 2.137 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.280 7.585 1.851 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.568 6.497 3.194 1.00 0.00 H new ATOM 0 HG SER A 30 -2.644 8.723 3.836 1.00 0.00 H new ATOM 478 N GLU A 31 -0.399 4.905 4.309 1.00 0.00 N ATOM 479 CA GLU A 31 0.078 4.310 5.547 1.00 0.00 C ATOM 480 C GLU A 31 1.504 3.815 5.375 1.00 0.00 C ATOM 481 O GLU A 31 2.348 3.999 6.251 1.00 0.00 O ATOM 482 CB GLU A 31 -0.834 3.162 5.980 1.00 0.00 C ATOM 483 CG GLU A 31 -2.128 3.629 6.628 1.00 0.00 C ATOM 484 CD GLU A 31 -2.130 3.436 8.131 1.00 0.00 C ATOM 485 OE1 GLU A 31 -1.810 2.318 8.587 1.00 0.00 O ATOM 486 OE2 GLU A 31 -2.453 4.402 8.854 1.00 0.00 O ATOM 0 H GLU A 31 -1.105 4.356 3.819 1.00 0.00 H new ATOM 0 HA GLU A 31 0.062 5.073 6.326 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.072 2.550 5.110 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.295 2.524 6.681 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.284 4.684 6.401 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.965 3.082 6.194 1.00 0.00 H new ATOM 493 N VAL A 32 1.768 3.198 4.231 1.00 0.00 N ATOM 494 CA VAL A 32 3.098 2.691 3.933 1.00 0.00 C ATOM 495 C VAL A 32 4.102 3.834 3.875 1.00 0.00 C ATOM 496 O VAL A 32 5.223 3.720 4.368 1.00 0.00 O ATOM 497 CB VAL A 32 3.126 1.923 2.598 1.00 0.00 C ATOM 498 CG1 VAL A 32 4.445 1.184 2.434 1.00 0.00 C ATOM 499 CG2 VAL A 32 1.952 0.959 2.509 1.00 0.00 C ATOM 0 H VAL A 32 1.079 3.037 3.496 1.00 0.00 H new ATOM 0 HA VAL A 32 3.369 2.003 4.734 1.00 0.00 H new ATOM 0 HB VAL A 32 3.036 2.644 1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.446 0.647 1.485 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.267 1.900 2.447 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.569 0.474 3.252 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.990 0.426 1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.006 0.243 3.329 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.018 1.516 2.575 1.00 0.00 H new ATOM 509 N GLY A 33 3.683 4.942 3.272 1.00 0.00 N ATOM 510 CA GLY A 33 4.552 6.096 3.161 1.00 0.00 C ATOM 511 C GLY A 33 4.923 6.668 4.513 1.00 0.00 C ATOM 512 O GLY A 33 6.103 6.872 4.805 1.00 0.00 O ATOM 0 H GLY A 33 2.758 5.060 2.859 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.459 5.815 2.627 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.058 6.865 2.567 1.00 0.00 H new ATOM 516 N ASN A 34 3.923 6.915 5.355 1.00 0.00 N ATOM 517 CA ASN A 34 4.186 7.451 6.685 1.00 0.00 C ATOM 518 C ASN A 34 4.967 6.436 7.515 1.00 0.00 C ATOM 519 O ASN A 34 5.793 6.804 8.350 1.00 0.00 O ATOM 520 CB ASN A 34 2.886 7.863 7.389 1.00 0.00 C ATOM 521 CG ASN A 34 1.987 6.694 7.746 1.00 0.00 C ATOM 522 OD1 ASN A 34 2.453 5.622 8.130 1.00 0.00 O ATOM 523 ND2 ASN A 34 0.681 6.901 7.632 1.00 0.00 N ATOM 0 H ASN A 34 2.938 6.755 5.144 1.00 0.00 H new ATOM 0 HA ASN A 34 4.793 8.350 6.579 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.134 8.410 8.299 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.336 8.549 6.744 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.024 6.157 7.867 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.334 7.804 7.310 1.00 0.00 H new ATOM 530 N TYR A 35 4.699 5.156 7.271 1.00 0.00 N ATOM 531 CA TYR A 35 5.374 4.077 7.983 1.00 0.00 C ATOM 532 C TYR A 35 6.877 4.125 7.743 1.00 0.00 C ATOM 533 O TYR A 35 7.672 3.964 8.669 1.00 0.00 O ATOM 534 CB TYR A 35 4.815 2.732 7.513 1.00 0.00 C ATOM 535 CG TYR A 35 5.164 1.579 8.415 1.00 0.00 C ATOM 536 CD1 TYR A 35 5.210 1.745 9.789 1.00 0.00 C ATOM 537 CD2 TYR A 35 5.448 0.325 7.895 1.00 0.00 C ATOM 538 CE1 TYR A 35 5.528 0.697 10.623 1.00 0.00 C ATOM 539 CE2 TYR A 35 5.766 -0.731 8.723 1.00 0.00 C ATOM 540 CZ TYR A 35 5.804 -0.541 10.087 1.00 0.00 C ATOM 541 OH TYR A 35 6.122 -1.592 10.918 1.00 0.00 O ATOM 0 H TYR A 35 4.016 4.841 6.582 1.00 0.00 H new ATOM 0 HA TYR A 35 5.196 4.197 9.052 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.730 2.807 7.438 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.190 2.524 6.511 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.993 2.714 10.214 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.420 0.173 6.826 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.561 0.845 11.692 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.984 -1.702 8.304 1.00 0.00 H new ATOM 0 HH TYR A 35 6.288 -2.395 10.381 1.00 0.00 H new ATOM 551 N LEU A 36 7.260 4.361 6.496 1.00 0.00 N ATOM 552 CA LEU A 36 8.669 4.449 6.132 1.00 0.00 C ATOM 553 C LEU A 36 9.151 5.901 6.157 1.00 0.00 C ATOM 554 O LEU A 36 10.332 6.175 5.945 1.00 0.00 O ATOM 555 CB LEU A 36 8.907 3.840 4.750 1.00 0.00 C ATOM 556 CG LEU A 36 8.522 2.362 4.619 1.00 0.00 C ATOM 557 CD1 LEU A 36 7.367 2.186 3.641 1.00 0.00 C ATOM 558 CD2 LEU A 36 9.722 1.535 4.183 1.00 0.00 C ATOM 0 H LEU A 36 6.615 4.495 5.718 1.00 0.00 H new ATOM 0 HA LEU A 36 9.241 3.884 6.868 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.343 4.414 4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.962 3.949 4.498 1.00 0.00 H new ATOM 0 HG LEU A 36 8.195 2.008 5.597 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.112 1.129 3.565 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.501 2.743 3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.661 2.560 2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.430 0.488 4.095 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.080 1.894 3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.517 1.629 4.923 1.00 0.00 H new ATOM 570 N ARG A 37 8.229 6.828 6.417 1.00 0.00 N ATOM 571 CA ARG A 37 8.554 8.249 6.473 1.00 0.00 C ATOM 572 C ARG A 37 8.919 8.791 5.097 1.00 0.00 C ATOM 573 O ARG A 37 9.717 9.721 4.977 1.00 0.00 O ATOM 574 CB ARG A 37 9.705 8.498 7.451 1.00 0.00 C ATOM 575 CG ARG A 37 9.689 9.886 8.070 1.00 0.00 C ATOM 576 CD ARG A 37 10.275 9.877 9.473 1.00 0.00 C ATOM 577 NE ARG A 37 10.314 11.215 10.060 1.00 0.00 N ATOM 578 CZ ARG A 37 10.836 11.484 11.254 1.00 0.00 C ATOM 579 NH1 ARG A 37 11.364 10.514 11.990 1.00 0.00 N ATOM 580 NH2 ARG A 37 10.831 12.728 11.714 1.00 0.00 N ATOM 0 H ARG A 37 7.247 6.616 6.593 1.00 0.00 H new ATOM 0 HA ARG A 37 7.666 8.775 6.823 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.662 7.754 8.247 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.651 8.353 6.930 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.257 10.572 7.442 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.665 10.258 8.105 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.682 9.220 10.109 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.284 9.466 9.442 1.00 0.00 H new ATOM 0 HE ARG A 37 9.918 11.987 9.523 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.371 9.556 11.641 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.763 10.727 12.904 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.427 13.478 11.153 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.231 12.935 12.629 1.00 0.00 H new ATOM 594 N MET A 38 8.320 8.216 4.059 1.00 0.00 N ATOM 595 CA MET A 38 8.574 8.662 2.696 1.00 0.00 C ATOM 596 C MET A 38 7.420 9.528 2.204 1.00 0.00 C ATOM 597 O MET A 38 6.260 9.119 2.257 1.00 0.00 O ATOM 598 CB MET A 38 8.762 7.460 1.768 1.00 0.00 C ATOM 599 CG MET A 38 10.158 6.859 1.826 1.00 0.00 C ATOM 600 SD MET A 38 10.146 5.061 1.698 1.00 0.00 S ATOM 601 CE MET A 38 11.130 4.820 0.221 1.00 0.00 C ATOM 0 H MET A 38 7.658 7.444 4.136 1.00 0.00 H new ATOM 0 HA MET A 38 9.489 9.255 2.689 1.00 0.00 H new ATOM 0 HB2 MET A 38 8.034 6.692 2.029 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.549 7.766 0.744 1.00 0.00 H new ATOM 0 HG2 MET A 38 10.761 7.273 1.018 1.00 0.00 H new ATOM 0 HG3 MET A 38 10.636 7.150 2.762 1.00 0.00 H new ATOM 0 HE1 MET A 38 10.758 3.954 -0.327 1.00 0.00 H new ATOM 0 HE2 MET A 38 11.061 5.706 -0.411 1.00 0.00 H new ATOM 0 HE3 MET A 38 12.170 4.654 0.500 1.00 0.00 H new ATOM 611 N PHE A 39 7.742 10.727 1.736 1.00 0.00 N ATOM 612 CA PHE A 39 6.727 11.651 1.246 1.00 0.00 C ATOM 613 C PHE A 39 7.053 12.130 -0.165 1.00 0.00 C ATOM 614 O PHE A 39 8.113 11.816 -0.708 1.00 0.00 O ATOM 615 CB PHE A 39 6.597 12.846 2.196 1.00 0.00 C ATOM 616 CG PHE A 39 6.731 12.472 3.647 1.00 0.00 C ATOM 617 CD1 PHE A 39 7.971 12.482 4.266 1.00 0.00 C ATOM 618 CD2 PHE A 39 5.620 12.103 4.389 1.00 0.00 C ATOM 619 CE1 PHE A 39 8.100 12.133 5.598 1.00 0.00 C ATOM 620 CE2 PHE A 39 5.743 11.754 5.722 1.00 0.00 C ATOM 621 CZ PHE A 39 6.985 11.769 6.325 1.00 0.00 C ATOM 0 H PHE A 39 8.697 11.082 1.685 1.00 0.00 H new ATOM 0 HA PHE A 39 5.775 11.121 1.210 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.360 13.584 1.947 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.629 13.322 2.039 1.00 0.00 H new ATOM 0 HD1 PHE A 39 8.847 12.766 3.701 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.647 12.088 3.921 1.00 0.00 H new ATOM 0 HE1 PHE A 39 9.072 12.145 6.069 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.869 11.470 6.290 1.00 0.00 H new ATOM 0 HZ PHE A 39 7.084 11.496 7.365 1.00 0.00 H new ATOM 631 N ARG A 40 6.136 12.894 -0.753 1.00 0.00 N ATOM 632 CA ARG A 40 6.327 13.417 -2.102 1.00 0.00 C ATOM 633 C ARG A 40 6.591 12.286 -3.092 1.00 0.00 C ATOM 634 O ARG A 40 7.400 12.425 -4.010 1.00 0.00 O ATOM 635 CB ARG A 40 7.485 14.417 -2.124 1.00 0.00 C ATOM 636 CG ARG A 40 7.044 15.860 -1.934 1.00 0.00 C ATOM 637 CD ARG A 40 7.990 16.617 -1.015 1.00 0.00 C ATOM 638 NE ARG A 40 7.666 16.411 0.395 1.00 0.00 N ATOM 639 CZ ARG A 40 8.078 17.212 1.374 1.00 0.00 C ATOM 640 NH1 ARG A 40 8.831 18.270 1.104 1.00 0.00 N ATOM 641 NH2 ARG A 40 7.736 16.952 2.630 1.00 0.00 N ATOM 0 H ARG A 40 5.254 13.164 -0.317 1.00 0.00 H new ATOM 0 HA ARG A 40 5.412 13.928 -2.401 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.195 14.156 -1.339 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.013 14.329 -3.074 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.000 16.358 -2.902 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.037 15.882 -1.518 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.014 16.293 -1.203 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.945 17.681 -1.246 1.00 0.00 H new ATOM 0 HE ARG A 40 7.090 15.606 0.643 1.00 0.00 H new ATOM 0 HH11 ARG A 40 9.098 18.474 0.141 1.00 0.00 H new ATOM 0 HH12 ARG A 40 9.143 18.880 1.860 1.00 0.00 H new ATOM 0 HH21 ARG A 40 7.158 16.139 2.843 1.00 0.00 H new ATOM 0 HH22 ARG A 40 8.051 17.565 3.382 1.00 0.00 H new ATOM 655 N GLY A 41 5.906 11.165 -2.897 1.00 0.00 N ATOM 656 CA GLY A 41 6.082 10.025 -3.776 1.00 0.00 C ATOM 657 C GLY A 41 7.439 9.370 -3.611 1.00 0.00 C ATOM 658 O GLY A 41 7.915 8.678 -4.511 1.00 0.00 O ATOM 0 H GLY A 41 5.231 11.026 -2.145 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.301 9.291 -3.575 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.960 10.346 -4.811 1.00 0.00 H new ATOM 662 N SER A 42 8.064 9.587 -2.458 1.00 0.00 N ATOM 663 CA SER A 42 9.373 9.012 -2.178 1.00 0.00 C ATOM 664 C SER A 42 9.309 7.488 -2.181 1.00 0.00 C ATOM 665 O SER A 42 10.262 6.818 -2.579 1.00 0.00 O ATOM 666 CB SER A 42 9.896 9.511 -0.829 1.00 0.00 C ATOM 667 OG SER A 42 10.755 10.626 -0.995 1.00 0.00 O ATOM 0 H SER A 42 7.684 10.157 -1.703 1.00 0.00 H new ATOM 0 HA SER A 42 10.058 9.330 -2.964 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.057 9.786 -0.190 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.432 8.708 -0.323 1.00 0.00 H new ATOM 0 HG SER A 42 10.226 11.451 -0.984 1.00 0.00 H new ATOM 673 N LEU A 43 8.181 6.946 -1.733 1.00 0.00 N ATOM 674 CA LEU A 43 7.995 5.501 -1.686 1.00 0.00 C ATOM 675 C LEU A 43 7.993 4.908 -3.091 1.00 0.00 C ATOM 676 O LEU A 43 8.733 3.968 -3.380 1.00 0.00 O ATOM 677 CB LEU A 43 6.686 5.157 -0.974 1.00 0.00 C ATOM 678 CG LEU A 43 6.499 3.675 -0.643 1.00 0.00 C ATOM 679 CD1 LEU A 43 6.958 3.384 0.777 1.00 0.00 C ATOM 680 CD2 LEU A 43 5.045 3.267 -0.828 1.00 0.00 C ATOM 0 H LEU A 43 7.383 7.486 -1.398 1.00 0.00 H new ATOM 0 HA LEU A 43 8.827 5.070 -1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.632 5.730 -0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.854 5.482 -1.599 1.00 0.00 H new ATOM 0 HG LEU A 43 7.111 3.089 -1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.818 2.325 0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.013 3.638 0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.373 3.979 1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.930 2.210 -0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.414 3.860 -0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.748 3.439 -1.863 1.00 0.00 H new ATOM 692 N TYR A 44 7.159 5.464 -3.963 1.00 0.00 N ATOM 693 CA TYR A 44 7.065 4.990 -5.337 1.00 0.00 C ATOM 694 C TYR A 44 8.345 5.298 -6.104 1.00 0.00 C ATOM 695 O TYR A 44 8.811 4.485 -6.903 1.00 0.00 O ATOM 696 CB TYR A 44 5.860 5.622 -6.034 1.00 0.00 C ATOM 697 CG TYR A 44 4.550 5.312 -5.347 1.00 0.00 C ATOM 698 CD1 TYR A 44 3.615 6.311 -5.104 1.00 0.00 C ATOM 699 CD2 TYR A 44 4.253 4.020 -4.934 1.00 0.00 C ATOM 700 CE1 TYR A 44 2.421 6.029 -4.470 1.00 0.00 C ATOM 701 CE2 TYR A 44 3.061 3.730 -4.301 1.00 0.00 C ATOM 702 CZ TYR A 44 2.148 4.738 -4.069 1.00 0.00 C ATOM 703 OH TYR A 44 0.961 4.453 -3.435 1.00 0.00 O ATOM 0 H TYR A 44 6.539 6.243 -3.742 1.00 0.00 H new ATOM 0 HA TYR A 44 6.931 3.908 -5.319 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.996 6.703 -6.074 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.816 5.268 -7.064 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.825 7.323 -5.416 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.966 3.229 -5.111 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.704 6.816 -4.289 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.844 2.719 -3.989 1.00 0.00 H new ATOM 0 HH TYR A 44 0.662 5.239 -2.931 1.00 0.00 H new ATOM 713 N LYS A 45 8.918 6.468 -5.846 1.00 0.00 N ATOM 714 CA LYS A 45 10.154 6.869 -6.503 1.00 0.00 C ATOM 715 C LYS A 45 11.302 5.965 -6.064 1.00 0.00 C ATOM 716 O LYS A 45 12.237 5.714 -6.824 1.00 0.00 O ATOM 717 CB LYS A 45 10.482 8.329 -6.183 1.00 0.00 C ATOM 718 CG LYS A 45 9.979 9.310 -7.231 1.00 0.00 C ATOM 719 CD LYS A 45 9.569 10.635 -6.607 1.00 0.00 C ATOM 720 CE LYS A 45 9.467 11.734 -7.653 1.00 0.00 C ATOM 721 NZ LYS A 45 8.362 12.689 -7.355 1.00 0.00 N ATOM 0 H LYS A 45 8.547 7.153 -5.188 1.00 0.00 H new ATOM 0 HA LYS A 45 10.020 6.771 -7.580 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.047 8.587 -5.217 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.562 8.437 -6.085 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.759 9.482 -7.973 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.129 8.877 -7.757 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.609 10.520 -6.103 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.296 10.921 -5.847 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.411 12.276 -7.702 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.305 11.287 -8.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.328 13.422 -8.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.457 12.177 -7.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.529 13.136 -6.431 1.00 0.00 H new ATOM 735 N ARG A 46 11.215 5.473 -4.831 1.00 0.00 N ATOM 736 CA ARG A 46 12.234 4.586 -4.282 1.00 0.00 C ATOM 737 C ARG A 46 11.880 3.121 -4.535 1.00 0.00 C ATOM 738 O ARG A 46 12.720 2.237 -4.373 1.00 0.00 O ATOM 739 CB ARG A 46 12.398 4.832 -2.781 1.00 0.00 C ATOM 740 CG ARG A 46 13.641 4.188 -2.190 1.00 0.00 C ATOM 741 CD ARG A 46 14.860 5.082 -2.346 1.00 0.00 C ATOM 742 NE ARG A 46 15.581 4.814 -3.590 1.00 0.00 N ATOM 743 CZ ARG A 46 16.837 5.193 -3.816 1.00 0.00 C ATOM 744 NH1 ARG A 46 17.515 5.855 -2.888 1.00 0.00 N ATOM 745 NH2 ARG A 46 17.416 4.908 -4.974 1.00 0.00 N ATOM 0 H ARG A 46 10.446 5.675 -4.192 1.00 0.00 H new ATOM 0 HA ARG A 46 13.176 4.803 -4.785 1.00 0.00 H new ATOM 0 HB2 ARG A 46 12.435 5.906 -2.599 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.519 4.451 -2.261 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.476 3.978 -1.133 1.00 0.00 H new ATOM 0 HG3 ARG A 46 13.825 3.232 -2.680 1.00 0.00 H new ATOM 0 HD2 ARG A 46 14.549 6.126 -2.325 1.00 0.00 H new ATOM 0 HD3 ARG A 46 15.530 4.932 -1.499 1.00 0.00 H new ATOM 0 HE ARG A 46 15.093 4.307 -4.328 1.00 0.00 H new ATOM 0 HH11 ARG A 46 17.074 6.076 -1.995 1.00 0.00 H new ATOM 0 HH12 ARG A 46 18.477 6.143 -3.067 1.00 0.00 H new ATOM 0 HH21 ARG A 46 16.899 4.399 -5.691 1.00 0.00 H new ATOM 0 HH22 ARG A 46 18.378 5.198 -5.148 1.00 0.00 H new ATOM 759 N TYR A 47 10.632 2.872 -4.930 1.00 0.00 N ATOM 760 CA TYR A 47 10.169 1.515 -5.204 1.00 0.00 C ATOM 761 C TYR A 47 9.384 1.462 -6.519 1.00 0.00 C ATOM 762 O TYR A 47 8.188 1.169 -6.528 1.00 0.00 O ATOM 763 CB TYR A 47 9.289 1.022 -4.053 1.00 0.00 C ATOM 764 CG TYR A 47 10.058 0.663 -2.801 1.00 0.00 C ATOM 765 CD1 TYR A 47 10.072 1.511 -1.701 1.00 0.00 C ATOM 766 CD2 TYR A 47 10.761 -0.529 -2.719 1.00 0.00 C ATOM 767 CE1 TYR A 47 10.767 1.177 -0.554 1.00 0.00 C ATOM 768 CE2 TYR A 47 11.459 -0.872 -1.578 1.00 0.00 C ATOM 769 CZ TYR A 47 11.459 -0.016 -0.497 1.00 0.00 C ATOM 770 OH TYR A 47 12.153 -0.351 0.643 1.00 0.00 O ATOM 0 H TYR A 47 9.924 3.594 -5.067 1.00 0.00 H new ATOM 0 HA TYR A 47 11.040 0.867 -5.296 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.560 1.795 -3.810 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.729 0.148 -4.386 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.532 2.445 -1.743 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.763 -1.202 -3.564 1.00 0.00 H new ATOM 0 HE1 TYR A 47 10.769 1.846 0.294 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.001 -1.805 -1.533 1.00 0.00 H new ATOM 0 HH TYR A 47 11.867 0.226 1.382 1.00 0.00 H new ATOM 780 N PRO A 48 10.049 1.756 -7.654 1.00 0.00 N ATOM 781 CA PRO A 48 9.406 1.754 -8.977 1.00 0.00 C ATOM 782 C PRO A 48 8.826 0.397 -9.370 1.00 0.00 C ATOM 783 O PRO A 48 7.826 0.328 -10.085 1.00 0.00 O ATOM 784 CB PRO A 48 10.544 2.136 -9.934 1.00 0.00 C ATOM 785 CG PRO A 48 11.571 2.790 -9.078 1.00 0.00 C ATOM 786 CD PRO A 48 11.472 2.126 -7.737 1.00 0.00 C ATOM 0 HA PRO A 48 8.555 2.434 -8.997 1.00 0.00 H new ATOM 0 HB2 PRO A 48 10.950 1.257 -10.434 1.00 0.00 H new ATOM 0 HB3 PRO A 48 10.193 2.812 -10.714 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.568 2.668 -9.502 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.388 3.861 -8.998 1.00 0.00 H new ATOM 0 HD2 PRO A 48 12.121 1.252 -7.670 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.761 2.800 -6.931 1.00 0.00 H new ATOM 794 N SER A 49 9.460 -0.680 -8.918 1.00 0.00 N ATOM 795 CA SER A 49 8.998 -2.027 -9.247 1.00 0.00 C ATOM 796 C SER A 49 7.907 -2.510 -8.290 1.00 0.00 C ATOM 797 O SER A 49 7.514 -3.676 -8.329 1.00 0.00 O ATOM 798 CB SER A 49 10.171 -3.009 -9.232 1.00 0.00 C ATOM 799 OG SER A 49 11.193 -2.572 -8.355 1.00 0.00 O ATOM 0 H SER A 49 10.290 -0.649 -8.326 1.00 0.00 H new ATOM 0 HA SER A 49 8.568 -1.985 -10.248 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.820 -3.994 -8.924 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.573 -3.115 -10.240 1.00 0.00 H new ATOM 0 HG SER A 49 11.949 -3.194 -8.398 1.00 0.00 H new ATOM 805 N LEU A 50 7.420 -1.618 -7.433 1.00 0.00 N ATOM 806 CA LEU A 50 6.377 -1.973 -6.475 1.00 0.00 C ATOM 807 C LEU A 50 4.992 -1.875 -7.105 1.00 0.00 C ATOM 808 O LEU A 50 4.709 -0.948 -7.864 1.00 0.00 O ATOM 809 CB LEU A 50 6.453 -1.059 -5.256 1.00 0.00 C ATOM 810 CG LEU A 50 6.065 -1.711 -3.929 1.00 0.00 C ATOM 811 CD1 LEU A 50 7.161 -2.655 -3.461 1.00 0.00 C ATOM 812 CD2 LEU A 50 5.791 -0.647 -2.878 1.00 0.00 C ATOM 0 H LEU A 50 7.729 -0.647 -7.382 1.00 0.00 H new ATOM 0 HA LEU A 50 6.541 -3.006 -6.167 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.470 -0.677 -5.171 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.803 -0.200 -5.424 1.00 0.00 H new ATOM 0 HG LEU A 50 5.154 -2.290 -4.079 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.869 -3.111 -2.515 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.313 -3.434 -4.208 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.088 -2.097 -3.324 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.516 -1.126 -1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.686 -0.044 -2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.974 -0.008 -3.212 1.00 0.00 H new ATOM 824 N TRP A 51 4.128 -2.832 -6.779 1.00 0.00 N ATOM 825 CA TRP A 51 2.769 -2.840 -7.309 1.00 0.00 C ATOM 826 C TRP A 51 1.948 -1.709 -6.699 1.00 0.00 C ATOM 827 O TRP A 51 1.707 -1.687 -5.492 1.00 0.00 O ATOM 828 CB TRP A 51 2.083 -4.180 -7.027 1.00 0.00 C ATOM 829 CG TRP A 51 0.711 -4.276 -7.623 1.00 0.00 C ATOM 830 CD1 TRP A 51 0.362 -4.870 -8.803 1.00 0.00 C ATOM 831 CD2 TRP A 51 -0.500 -3.761 -7.062 1.00 0.00 C ATOM 832 NE1 TRP A 51 -0.993 -4.752 -9.006 1.00 0.00 N ATOM 833 CE2 TRP A 51 -1.543 -4.077 -7.949 1.00 0.00 C ATOM 834 CE3 TRP A 51 -0.800 -3.066 -5.890 1.00 0.00 C ATOM 835 CZ2 TRP A 51 -2.864 -3.718 -7.699 1.00 0.00 C ATOM 836 CZ3 TRP A 51 -2.108 -2.711 -5.641 1.00 0.00 C ATOM 837 CH2 TRP A 51 -3.127 -3.037 -6.542 1.00 0.00 C ATOM 0 H TRP A 51 4.344 -3.608 -6.153 1.00 0.00 H new ATOM 0 HA TRP A 51 2.831 -2.695 -8.387 1.00 0.00 H new ATOM 0 HB2 TRP A 51 2.701 -4.987 -7.420 1.00 0.00 H new ATOM 0 HB3 TRP A 51 2.015 -4.327 -5.949 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.049 -5.360 -9.477 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.505 -5.109 -9.813 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.019 -2.810 -5.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -3.653 -3.968 -8.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.350 -2.173 -4.736 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -4.143 -2.745 -6.320 1.00 0.00 H new ATOM 848 N ARG A 52 1.521 -0.773 -7.537 1.00 0.00 N ATOM 849 CA ARG A 52 0.721 0.355 -7.076 1.00 0.00 C ATOM 850 C ARG A 52 -0.390 0.665 -8.073 1.00 0.00 C ATOM 851 O ARG A 52 -0.169 0.643 -9.283 1.00 0.00 O ATOM 852 CB ARG A 52 1.603 1.587 -6.876 1.00 0.00 C ATOM 853 CG ARG A 52 2.352 2.010 -8.130 1.00 0.00 C ATOM 854 CD ARG A 52 2.400 3.523 -8.268 1.00 0.00 C ATOM 855 NE ARG A 52 2.632 3.940 -9.649 1.00 0.00 N ATOM 856 CZ ARG A 52 3.826 3.931 -10.237 1.00 0.00 C ATOM 857 NH1 ARG A 52 4.899 3.530 -9.567 1.00 0.00 N ATOM 858 NH2 ARG A 52 3.947 4.324 -11.497 1.00 0.00 N ATOM 0 H ARG A 52 1.715 -0.772 -8.538 1.00 0.00 H new ATOM 0 HA ARG A 52 0.269 0.087 -6.121 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.983 2.416 -6.536 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.324 1.383 -6.084 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.367 1.614 -8.099 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.868 1.579 -9.007 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.462 3.949 -7.913 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.191 3.920 -7.632 1.00 0.00 H new ATOM 0 HE ARG A 52 1.831 4.257 -10.195 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.811 3.227 -8.597 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.812 3.525 -10.022 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.125 4.633 -12.016 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.862 4.317 -11.948 1.00 0.00 H new ATOM 872 N ARG A 53 -1.584 0.961 -7.565 1.00 0.00 N ATOM 873 CA ARG A 53 -2.708 1.279 -8.437 1.00 0.00 C ATOM 874 C ARG A 53 -3.732 2.167 -7.730 1.00 0.00 C ATOM 875 O ARG A 53 -3.866 2.125 -6.507 1.00 0.00 O ATOM 876 CB ARG A 53 -3.360 -0.011 -8.968 1.00 0.00 C ATOM 877 CG ARG A 53 -4.581 -0.496 -8.191 1.00 0.00 C ATOM 878 CD ARG A 53 -5.806 -0.619 -9.086 1.00 0.00 C ATOM 879 NE ARG A 53 -6.182 -2.013 -9.309 1.00 0.00 N ATOM 880 CZ ARG A 53 -5.672 -2.777 -10.274 1.00 0.00 C ATOM 881 NH1 ARG A 53 -4.755 -2.292 -11.102 1.00 0.00 N ATOM 882 NH2 ARG A 53 -6.079 -4.033 -10.409 1.00 0.00 N ATOM 0 H ARG A 53 -1.795 0.987 -6.567 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.325 1.843 -9.287 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.652 0.150 -10.006 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.611 -0.803 -8.967 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.363 -1.463 -7.738 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.793 0.197 -7.377 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.642 -0.086 -8.632 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.605 -0.140 -10.044 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.877 -2.427 -8.688 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.436 -1.328 -11.002 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.369 -2.883 -11.838 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.782 -4.412 -9.774 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.689 -4.619 -11.147 1.00 0.00 H new ATOM 896 N LEU A 54 -4.450 2.966 -8.512 1.00 0.00 N ATOM 897 CA LEU A 54 -5.465 3.863 -7.969 1.00 0.00 C ATOM 898 C LEU A 54 -6.692 3.078 -7.518 1.00 0.00 C ATOM 899 O LEU A 54 -6.971 1.997 -8.034 1.00 0.00 O ATOM 900 CB LEU A 54 -5.865 4.909 -9.012 1.00 0.00 C ATOM 901 CG LEU A 54 -5.087 6.222 -8.942 1.00 0.00 C ATOM 902 CD1 LEU A 54 -4.311 6.458 -10.229 1.00 0.00 C ATOM 903 CD2 LEU A 54 -6.024 7.387 -8.661 1.00 0.00 C ATOM 0 H LEU A 54 -4.348 3.011 -9.526 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.042 4.372 -7.103 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.733 4.479 -10.005 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.927 5.127 -8.897 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.373 6.151 -8.121 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.764 7.398 -10.157 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.607 5.640 -10.385 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.004 6.505 -11.069 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.450 8.313 -8.615 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.765 7.458 -9.457 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.529 7.226 -7.709 1.00 0.00 H new ATOM 915 N ALA A 55 -7.417 3.625 -6.549 1.00 0.00 N ATOM 916 CA ALA A 55 -8.608 2.969 -6.027 1.00 0.00 C ATOM 917 C ALA A 55 -9.870 3.448 -6.737 1.00 0.00 C ATOM 918 O ALA A 55 -10.139 4.647 -6.809 1.00 0.00 O ATOM 919 CB ALA A 55 -8.727 3.206 -4.531 1.00 0.00 C ATOM 0 H ALA A 55 -7.201 4.520 -6.110 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.506 1.900 -6.214 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.622 2.710 -4.154 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.849 2.802 -4.028 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.796 4.276 -4.337 1.00 0.00 H new ATOM 925 N THR A 56 -10.649 2.498 -7.244 1.00 0.00 N ATOM 926 CA THR A 56 -11.894 2.812 -7.933 1.00 0.00 C ATOM 927 C THR A 56 -12.942 3.277 -6.931 1.00 0.00 C ATOM 928 O THR A 56 -12.730 3.193 -5.726 1.00 0.00 O ATOM 929 CB THR A 56 -12.409 1.585 -8.687 1.00 0.00 C ATOM 930 OG1 THR A 56 -13.005 0.663 -7.790 1.00 0.00 O ATOM 931 CG2 THR A 56 -11.328 0.852 -9.450 1.00 0.00 C ATOM 0 H THR A 56 -10.438 1.501 -7.190 1.00 0.00 H new ATOM 0 HA THR A 56 -11.703 3.611 -8.649 1.00 0.00 H new ATOM 0 HB THR A 56 -13.136 1.968 -9.403 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.331 -0.115 -8.289 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.762 -0.007 -9.961 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.881 1.523 -10.184 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.560 0.511 -8.756 1.00 0.00 H new ATOM 939 N VAL A 57 -14.073 3.765 -7.425 1.00 0.00 N ATOM 940 CA VAL A 57 -15.138 4.230 -6.545 1.00 0.00 C ATOM 941 C VAL A 57 -15.598 3.105 -5.619 1.00 0.00 C ATOM 942 O VAL A 57 -15.884 3.330 -4.441 1.00 0.00 O ATOM 943 CB VAL A 57 -16.347 4.754 -7.344 1.00 0.00 C ATOM 944 CG1 VAL A 57 -17.382 5.363 -6.410 1.00 0.00 C ATOM 945 CG2 VAL A 57 -15.900 5.768 -8.388 1.00 0.00 C ATOM 0 H VAL A 57 -14.276 3.849 -8.421 1.00 0.00 H new ATOM 0 HA VAL A 57 -14.731 5.050 -5.953 1.00 0.00 H new ATOM 0 HB VAL A 57 -16.808 3.913 -7.861 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -18.228 5.727 -6.993 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -17.726 4.606 -5.705 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -16.935 6.192 -5.862 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -16.768 6.126 -8.942 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -15.413 6.608 -7.894 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -15.199 5.296 -9.077 1.00 0.00 H new ATOM 955 N GLU A 58 -15.649 1.892 -6.155 1.00 0.00 N ATOM 956 CA GLU A 58 -16.054 0.732 -5.372 1.00 0.00 C ATOM 957 C GLU A 58 -14.977 0.388 -4.347 1.00 0.00 C ATOM 958 O GLU A 58 -15.272 0.138 -3.178 1.00 0.00 O ATOM 959 CB GLU A 58 -16.314 -0.467 -6.288 1.00 0.00 C ATOM 960 CG GLU A 58 -17.749 -0.967 -6.241 1.00 0.00 C ATOM 961 CD GLU A 58 -18.002 -2.102 -7.214 1.00 0.00 C ATOM 962 OE1 GLU A 58 -17.500 -2.030 -8.355 1.00 0.00 O ATOM 963 OE2 GLU A 58 -18.702 -3.064 -6.834 1.00 0.00 O ATOM 0 H GLU A 58 -15.416 1.686 -7.126 1.00 0.00 H new ATOM 0 HA GLU A 58 -16.977 0.973 -4.845 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -16.067 -0.191 -7.313 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -15.645 -1.280 -6.007 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -17.981 -1.302 -5.230 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -18.425 -0.142 -6.467 1.00 0.00 H new ATOM 970 N GLU A 59 -13.725 0.386 -4.797 1.00 0.00 N ATOM 971 CA GLU A 59 -12.600 0.080 -3.924 1.00 0.00 C ATOM 972 C GLU A 59 -12.497 1.100 -2.793 1.00 0.00 C ATOM 973 O GLU A 59 -12.333 0.734 -1.631 1.00 0.00 O ATOM 974 CB GLU A 59 -11.296 0.055 -4.724 1.00 0.00 C ATOM 975 CG GLU A 59 -10.962 -1.312 -5.299 1.00 0.00 C ATOM 976 CD GLU A 59 -10.498 -1.241 -6.742 1.00 0.00 C ATOM 977 OE1 GLU A 59 -9.756 -0.296 -7.081 1.00 0.00 O ATOM 978 OE2 GLU A 59 -10.876 -2.132 -7.531 1.00 0.00 O ATOM 0 H GLU A 59 -13.466 0.593 -5.762 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.768 -0.905 -3.488 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.365 0.776 -5.539 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.478 0.379 -4.080 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.184 -1.776 -4.693 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.841 -1.954 -5.235 1.00 0.00 H new ATOM 985 N ARG A 60 -12.600 2.379 -3.141 1.00 0.00 N ATOM 986 CA ARG A 60 -12.522 3.448 -2.153 1.00 0.00 C ATOM 987 C ARG A 60 -13.642 3.306 -1.132 1.00 0.00 C ATOM 988 O ARG A 60 -13.417 3.453 0.069 1.00 0.00 O ATOM 989 CB ARG A 60 -12.585 4.821 -2.834 1.00 0.00 C ATOM 990 CG ARG A 60 -13.928 5.132 -3.465 1.00 0.00 C ATOM 991 CD ARG A 60 -13.980 6.557 -3.991 1.00 0.00 C ATOM 992 NE ARG A 60 -15.251 7.205 -3.678 1.00 0.00 N ATOM 993 CZ ARG A 60 -15.771 8.205 -4.386 1.00 0.00 C ATOM 994 NH1 ARG A 60 -15.128 8.688 -5.443 1.00 0.00 N ATOM 995 NH2 ARG A 60 -16.937 8.728 -4.035 1.00 0.00 N ATOM 0 H ARG A 60 -12.738 2.700 -4.099 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.567 3.369 -1.634 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.353 5.591 -2.099 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.813 4.871 -3.602 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -14.118 4.435 -4.281 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -14.719 4.985 -2.730 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.162 7.134 -3.559 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.831 6.551 -5.071 1.00 0.00 H new ATOM 0 HE ARG A 60 -15.772 6.871 -2.867 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -14.229 8.292 -5.718 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.533 9.454 -5.980 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -17.435 8.364 -3.223 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -17.336 9.494 -4.577 1.00 0.00 H new ATOM 1009 N LYS A 61 -14.844 2.991 -1.607 1.00 0.00 N ATOM 1010 CA LYS A 61 -15.974 2.801 -0.708 1.00 0.00 C ATOM 1011 C LYS A 61 -15.630 1.707 0.289 1.00 0.00 C ATOM 1012 O LYS A 61 -15.897 1.825 1.484 1.00 0.00 O ATOM 1013 CB LYS A 61 -17.234 2.431 -1.491 1.00 0.00 C ATOM 1014 CG LYS A 61 -18.080 3.631 -1.886 1.00 0.00 C ATOM 1015 CD LYS A 61 -18.672 3.467 -3.277 1.00 0.00 C ATOM 1016 CE LYS A 61 -20.193 3.454 -3.239 1.00 0.00 C ATOM 1017 NZ LYS A 61 -20.727 2.139 -2.788 1.00 0.00 N ATOM 0 H LYS A 61 -15.058 2.864 -2.596 1.00 0.00 H new ATOM 0 HA LYS A 61 -16.174 3.732 -0.178 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -16.946 1.888 -2.391 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -17.839 1.753 -0.890 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -18.884 3.764 -1.162 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -17.469 4.533 -1.854 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -18.330 4.280 -3.917 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -18.310 2.539 -3.720 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -20.546 4.238 -2.569 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -20.583 3.683 -4.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -21.766 2.172 -2.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -20.412 1.394 -3.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -20.376 1.932 -1.831 1.00 0.00 H new ATOM 1031 N LYS A 62 -14.995 0.656 -0.217 1.00 0.00 N ATOM 1032 CA LYS A 62 -14.566 -0.451 0.619 1.00 0.00 C ATOM 1033 C LYS A 62 -13.447 0.011 1.547 1.00 0.00 C ATOM 1034 O LYS A 62 -13.347 -0.436 2.690 1.00 0.00 O ATOM 1035 CB LYS A 62 -14.089 -1.622 -0.242 1.00 0.00 C ATOM 1036 CG LYS A 62 -15.211 -2.546 -0.687 1.00 0.00 C ATOM 1037 CD LYS A 62 -14.914 -3.172 -2.040 1.00 0.00 C ATOM 1038 CE LYS A 62 -16.060 -4.051 -2.512 1.00 0.00 C ATOM 1039 NZ LYS A 62 -15.573 -5.286 -3.186 1.00 0.00 N ATOM 0 H LYS A 62 -14.767 0.550 -1.206 1.00 0.00 H new ATOM 0 HA LYS A 62 -15.412 -0.789 1.217 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.581 -1.231 -1.123 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.355 -2.200 0.320 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -15.353 -3.332 0.055 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -16.145 -1.986 -0.741 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.731 -2.386 -2.773 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.002 -3.766 -1.975 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -16.682 -4.324 -1.660 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.690 -3.487 -3.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -16.386 -5.858 -3.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -15.000 -5.027 -4.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.992 -5.838 -2.523 1.00 0.00 H new ATOM 1429 N VAL A 88 -7.269 7.143 -3.717 1.00 0.00 N ATOM 1430 CA VAL A 88 -6.610 6.258 -2.764 1.00 0.00 C ATOM 1431 C VAL A 88 -5.623 5.335 -3.471 1.00 0.00 C ATOM 1432 O VAL A 88 -5.969 4.677 -4.453 1.00 0.00 O ATOM 1433 CB VAL A 88 -7.634 5.404 -1.988 1.00 0.00 C ATOM 1434 CG1 VAL A 88 -6.947 4.603 -0.893 1.00 0.00 C ATOM 1435 CG2 VAL A 88 -8.731 6.282 -1.408 1.00 0.00 C ATOM 0 HA VAL A 88 -6.072 6.892 -2.059 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.092 4.701 -2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.687 4.008 -0.358 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.203 3.942 -1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.457 5.284 -0.197 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.444 5.662 -0.864 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.292 7.012 -0.728 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.245 6.803 -2.216 1.00 0.00 H new ATOM 1445 N THR A 89 -4.393 5.294 -2.971 1.00 0.00 N ATOM 1446 CA THR A 89 -3.357 4.453 -3.562 1.00 0.00 C ATOM 1447 C THR A 89 -3.340 3.074 -2.913 1.00 0.00 C ATOM 1448 O THR A 89 -3.353 2.953 -1.687 1.00 0.00 O ATOM 1449 CB THR A 89 -1.987 5.115 -3.417 1.00 0.00 C ATOM 1450 OG1 THR A 89 -1.768 5.526 -2.079 1.00 0.00 O ATOM 1451 CG2 THR A 89 -1.811 6.328 -4.306 1.00 0.00 C ATOM 0 H THR A 89 -4.089 5.832 -2.160 1.00 0.00 H new ATOM 0 HA THR A 89 -3.583 4.333 -4.622 1.00 0.00 H new ATOM 0 HB THR A 89 -1.266 4.356 -3.720 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.297 4.966 -1.474 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.817 6.750 -4.154 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.924 6.034 -5.349 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.564 7.075 -4.056 1.00 0.00 H new ATOM 1459 N LEU A 90 -3.314 2.035 -3.743 1.00 0.00 N ATOM 1460 CA LEU A 90 -3.302 0.663 -3.249 1.00 0.00 C ATOM 1461 C LEU A 90 -1.983 -0.033 -3.571 1.00 0.00 C ATOM 1462 O LEU A 90 -1.383 0.203 -4.621 1.00 0.00 O ATOM 1463 CB LEU A 90 -4.462 -0.126 -3.856 1.00 0.00 C ATOM 1464 CG LEU A 90 -5.798 0.023 -3.125 1.00 0.00 C ATOM 1465 CD1 LEU A 90 -6.757 0.881 -3.934 1.00 0.00 C ATOM 1466 CD2 LEU A 90 -6.408 -1.342 -2.846 1.00 0.00 C ATOM 0 H LEU A 90 -3.301 2.118 -4.760 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.413 0.699 -2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.594 0.190 -4.891 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.192 -1.182 -3.877 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.615 0.519 -2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.701 0.975 -3.398 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.324 1.870 -4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.935 0.414 -4.903 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.358 -1.217 -2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.576 -1.865 -3.788 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.728 -1.924 -2.224 1.00 0.00 H new ATOM 1478 N LEU A 91 -1.547 -0.896 -2.656 1.00 0.00 N ATOM 1479 CA LEU A 91 -0.304 -1.641 -2.828 1.00 0.00 C ATOM 1480 C LEU A 91 -0.503 -3.110 -2.460 1.00 0.00 C ATOM 1481 O LEU A 91 -1.366 -3.440 -1.647 1.00 0.00 O ATOM 1482 CB LEU A 91 0.792 -1.033 -1.959 1.00 0.00 C ATOM 1483 CG LEU A 91 1.521 0.162 -2.575 1.00 0.00 C ATOM 1484 CD1 LEU A 91 0.654 1.410 -2.504 1.00 0.00 C ATOM 1485 CD2 LEU A 91 2.850 0.394 -1.872 1.00 0.00 C ATOM 0 H LEU A 91 -2.039 -1.096 -1.785 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.007 -1.582 -3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.352 -0.721 -1.012 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.524 -1.807 -1.731 1.00 0.00 H new ATOM 0 HG LEU A 91 1.720 -0.058 -3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.189 2.250 -2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.273 1.241 -3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.424 1.635 -1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.356 1.248 -2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.673 0.594 -0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.475 -0.493 -1.974 1.00 0.00 H new ATOM 1497 N LYS A 92 0.295 -3.992 -3.060 1.00 0.00 N ATOM 1498 CA LYS A 92 0.188 -5.422 -2.784 1.00 0.00 C ATOM 1499 C LYS A 92 0.811 -5.767 -1.435 1.00 0.00 C ATOM 1500 O LYS A 92 1.991 -5.501 -1.195 1.00 0.00 O ATOM 1501 CB LYS A 92 0.864 -6.229 -3.896 1.00 0.00 C ATOM 1502 CG LYS A 92 0.131 -6.160 -5.222 1.00 0.00 C ATOM 1503 CD LYS A 92 -0.759 -7.372 -5.446 1.00 0.00 C ATOM 1504 CE LYS A 92 -0.293 -8.193 -6.636 1.00 0.00 C ATOM 1505 NZ LYS A 92 1.036 -8.819 -6.394 1.00 0.00 N ATOM 0 H LYS A 92 1.018 -3.743 -3.736 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.870 -5.681 -2.749 1.00 0.00 H new ATOM 0 HB2 LYS A 92 1.882 -5.863 -4.033 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.939 -7.271 -3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -0.475 -5.255 -5.254 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.856 -6.088 -6.033 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.760 -7.994 -4.551 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.786 -7.045 -5.608 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.027 -8.970 -6.850 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.238 -7.555 -7.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.318 -9.370 -7.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.742 -8.077 -6.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.978 -9.448 -5.568 1.00 0.00 H new ATOM 1519 N ALA A 93 0.007 -6.362 -0.557 1.00 0.00 N ATOM 1520 CA ALA A 93 0.466 -6.745 0.774 1.00 0.00 C ATOM 1521 C ALA A 93 1.765 -7.540 0.706 1.00 0.00 C ATOM 1522 O ALA A 93 2.618 -7.427 1.585 1.00 0.00 O ATOM 1523 CB ALA A 93 -0.608 -7.548 1.490 1.00 0.00 C ATOM 0 H ALA A 93 -0.969 -6.590 -0.745 1.00 0.00 H new ATOM 0 HA ALA A 93 0.662 -5.833 1.337 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.253 -7.827 2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.511 -6.945 1.585 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.831 -8.448 0.918 1.00 0.00 H new ATOM 1529 N SER A 94 1.911 -8.340 -0.344 1.00 0.00 N ATOM 1530 CA SER A 94 3.108 -9.147 -0.523 1.00 0.00 C ATOM 1531 C SER A 94 4.339 -8.259 -0.674 1.00 0.00 C ATOM 1532 O SER A 94 5.392 -8.534 -0.096 1.00 0.00 O ATOM 1533 CB SER A 94 2.961 -10.051 -1.748 1.00 0.00 C ATOM 1534 OG SER A 94 1.683 -10.662 -1.781 1.00 0.00 O ATOM 0 H SER A 94 1.215 -8.446 -1.082 1.00 0.00 H new ATOM 0 HA SER A 94 3.236 -9.769 0.363 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.111 -9.466 -2.655 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.734 -10.819 -1.732 1.00 0.00 H new ATOM 0 HG SER A 94 1.614 -11.233 -2.574 1.00 0.00 H new ATOM 1540 N GLU A 95 4.198 -7.190 -1.452 1.00 0.00 N ATOM 1541 CA GLU A 95 5.301 -6.264 -1.675 1.00 0.00 C ATOM 1542 C GLU A 95 5.656 -5.532 -0.388 1.00 0.00 C ATOM 1543 O GLU A 95 6.822 -5.468 0.001 1.00 0.00 O ATOM 1544 CB GLU A 95 4.938 -5.251 -2.763 1.00 0.00 C ATOM 1545 CG GLU A 95 4.381 -5.882 -4.028 1.00 0.00 C ATOM 1546 CD GLU A 95 5.444 -6.107 -5.084 1.00 0.00 C ATOM 1547 OE1 GLU A 95 5.721 -5.166 -5.859 1.00 0.00 O ATOM 1548 OE2 GLU A 95 5.999 -7.226 -5.139 1.00 0.00 O ATOM 0 H GLU A 95 3.334 -6.945 -1.936 1.00 0.00 H new ATOM 0 HA GLU A 95 6.166 -6.841 -2.002 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.204 -4.551 -2.364 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.826 -4.672 -3.018 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.914 -6.835 -3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.599 -5.241 -4.436 1.00 0.00 H new ATOM 1555 N VAL A 96 4.642 -4.985 0.272 1.00 0.00 N ATOM 1556 CA VAL A 96 4.849 -4.259 1.516 1.00 0.00 C ATOM 1557 C VAL A 96 5.433 -5.167 2.589 1.00 0.00 C ATOM 1558 O VAL A 96 6.423 -4.826 3.233 1.00 0.00 O ATOM 1559 CB VAL A 96 3.535 -3.646 2.040 1.00 0.00 C ATOM 1560 CG1 VAL A 96 3.812 -2.698 3.196 1.00 0.00 C ATOM 1561 CG2 VAL A 96 2.794 -2.931 0.921 1.00 0.00 C ATOM 0 H VAL A 96 3.670 -5.031 -0.034 1.00 0.00 H new ATOM 0 HA VAL A 96 5.552 -3.456 1.297 1.00 0.00 H new ATOM 0 HB VAL A 96 2.900 -4.453 2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.873 -2.275 3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.295 -3.244 4.006 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.467 -1.895 2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.869 -2.505 1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.420 -2.134 0.521 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.560 -3.641 0.128 1.00 0.00 H new ATOM 1571 N GLU A 97 4.816 -6.326 2.770 1.00 0.00 N ATOM 1572 CA GLU A 97 5.271 -7.287 3.766 1.00 0.00 C ATOM 1573 C GLU A 97 6.744 -7.621 3.562 1.00 0.00 C ATOM 1574 O GLU A 97 7.514 -7.680 4.520 1.00 0.00 O ATOM 1575 CB GLU A 97 4.432 -8.565 3.699 1.00 0.00 C ATOM 1576 CG GLU A 97 3.232 -8.553 4.631 1.00 0.00 C ATOM 1577 CD GLU A 97 2.090 -9.410 4.119 1.00 0.00 C ATOM 1578 OE1 GLU A 97 1.469 -9.027 3.104 1.00 0.00 O ATOM 1579 OE2 GLU A 97 1.815 -10.462 4.731 1.00 0.00 O ATOM 0 H GLU A 97 3.998 -6.624 2.239 1.00 0.00 H new ATOM 0 HA GLU A 97 5.150 -6.836 4.751 1.00 0.00 H new ATOM 0 HB2 GLU A 97 4.086 -8.709 2.676 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.064 -9.418 3.945 1.00 0.00 H new ATOM 0 HG2 GLU A 97 3.537 -8.910 5.615 1.00 0.00 H new ATOM 0 HG3 GLU A 97 2.884 -7.528 4.757 1.00 0.00 H new ATOM 1586 N GLU A 98 7.132 -7.840 2.311 1.00 0.00 N ATOM 1587 CA GLU A 98 8.512 -8.166 1.993 1.00 0.00 C ATOM 1588 C GLU A 98 9.453 -7.032 2.406 1.00 0.00 C ATOM 1589 O GLU A 98 10.471 -7.258 3.072 1.00 0.00 O ATOM 1590 CB GLU A 98 8.640 -8.433 0.494 1.00 0.00 C ATOM 1591 CG GLU A 98 9.118 -9.833 0.166 1.00 0.00 C ATOM 1592 CD GLU A 98 8.334 -10.468 -0.966 1.00 0.00 C ATOM 1593 OE1 GLU A 98 7.104 -10.627 -0.820 1.00 0.00 O ATOM 1594 OE2 GLU A 98 8.950 -10.805 -1.999 1.00 0.00 O ATOM 0 H GLU A 98 6.510 -7.797 1.504 1.00 0.00 H new ATOM 0 HA GLU A 98 8.796 -9.059 2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.672 -8.268 0.020 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.333 -7.711 0.063 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.174 -9.798 -0.103 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.036 -10.458 1.055 1.00 0.00 H new ATOM 1601 N ILE A 99 9.104 -5.804 2.030 1.00 0.00 N ATOM 1602 CA ILE A 99 9.925 -4.654 2.384 1.00 0.00 C ATOM 1603 C ILE A 99 9.994 -4.513 3.897 1.00 0.00 C ATOM 1604 O ILE A 99 11.048 -4.212 4.457 1.00 0.00 O ATOM 1605 CB ILE A 99 9.408 -3.341 1.757 1.00 0.00 C ATOM 1606 CG1 ILE A 99 9.059 -3.544 0.280 1.00 0.00 C ATOM 1607 CG2 ILE A 99 10.455 -2.245 1.897 1.00 0.00 C ATOM 1608 CD1 ILE A 99 7.898 -2.693 -0.187 1.00 0.00 C ATOM 0 H ILE A 99 8.269 -5.583 1.487 1.00 0.00 H new ATOM 0 HA ILE A 99 10.921 -4.833 1.980 1.00 0.00 H new ATOM 0 HB ILE A 99 8.504 -3.042 2.288 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.935 -3.315 -0.327 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.820 -4.594 0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 99 10.079 -1.324 1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 99 10.667 -2.077 2.953 1.00 0.00 H new ATOM 0 HG23 ILE A 99 11.369 -2.548 1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.706 -2.888 -1.242 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.010 -2.938 0.395 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.141 -1.639 -0.051 1.00 0.00 H new ATOM 1620 N LEU A 100 8.867 -4.760 4.556 1.00 0.00 N ATOM 1621 CA LEU A 100 8.805 -4.688 6.010 1.00 0.00 C ATOM 1622 C LEU A 100 9.645 -5.803 6.620 1.00 0.00 C ATOM 1623 O LEU A 100 10.258 -5.631 7.674 1.00 0.00 O ATOM 1624 CB LEU A 100 7.358 -4.800 6.493 1.00 0.00 C ATOM 1625 CG LEU A 100 6.431 -3.662 6.059 1.00 0.00 C ATOM 1626 CD1 LEU A 100 5.132 -3.716 6.844 1.00 0.00 C ATOM 1627 CD2 LEU A 100 7.113 -2.313 6.237 1.00 0.00 C ATOM 0 H LEU A 100 7.986 -5.011 4.107 1.00 0.00 H new ATOM 0 HA LEU A 100 9.202 -3.724 6.328 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.944 -5.741 6.131 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.359 -4.850 7.582 1.00 0.00 H new ATOM 0 HG LEU A 100 6.202 -3.786 5.001 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.481 -2.902 6.526 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.636 -4.669 6.662 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.346 -3.616 7.908 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.436 -1.519 5.922 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.374 -2.173 7.286 1.00 0.00 H new ATOM 0 HD23 LEU A 100 8.018 -2.280 5.630 1.00 0.00 H new ATOM 1639 N ASP A 101 9.681 -6.944 5.934 1.00 0.00 N ATOM 1640 CA ASP A 101 10.461 -8.089 6.388 1.00 0.00 C ATOM 1641 C ASP A 101 11.938 -7.876 6.074 1.00 0.00 C ATOM 1642 O ASP A 101 12.806 -8.586 6.586 1.00 0.00 O ATOM 1643 CB ASP A 101 9.962 -9.373 5.722 1.00 0.00 C ATOM 1644 CG ASP A 101 9.993 -10.562 6.662 1.00 0.00 C ATOM 1645 OD1 ASP A 101 10.957 -10.673 7.448 1.00 0.00 O ATOM 1646 OD2 ASP A 101 9.052 -11.382 6.612 1.00 0.00 O ATOM 0 H ASP A 101 9.177 -7.098 5.060 1.00 0.00 H new ATOM 0 HA ASP A 101 10.339 -8.186 7.467 1.00 0.00 H new ATOM 0 HB2 ASP A 101 8.943 -9.222 5.366 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.577 -9.588 4.848 1.00 0.00 H new ATOM 1651 N GLY A 102 12.212 -6.889 5.227 1.00 0.00 N ATOM 1652 CA GLY A 102 13.576 -6.578 4.844 1.00 0.00 C ATOM 1653 C GLY A 102 13.935 -7.120 3.477 1.00 0.00 C ATOM 1654 O GLY A 102 15.069 -6.971 3.023 1.00 0.00 O ATOM 0 H GLY A 102 11.505 -6.294 4.795 1.00 0.00 H new ATOM 0 HA2 GLY A 102 13.713 -5.497 4.850 1.00 0.00 H new ATOM 0 HA3 GLY A 102 14.261 -6.990 5.585 1.00 0.00 H new ATOM 1658 N ASN A 103 12.958 -7.714 2.805 1.00 0.00 N ATOM 1659 CA ASN A 103 13.167 -8.234 1.464 1.00 0.00 C ATOM 1660 C ASN A 103 12.528 -7.290 0.455 1.00 0.00 C ATOM 1661 O ASN A 103 11.308 -7.167 0.405 1.00 0.00 O ATOM 1662 CB ASN A 103 12.569 -9.637 1.333 1.00 0.00 C ATOM 1663 CG ASN A 103 13.014 -10.338 0.064 1.00 0.00 C ATOM 1664 OD1 ASN A 103 13.832 -11.257 0.104 1.00 0.00 O ATOM 1665 ND2 ASN A 103 12.475 -9.908 -1.071 1.00 0.00 N ATOM 0 H ASN A 103 12.014 -7.847 3.168 1.00 0.00 H new ATOM 0 HA ASN A 103 14.237 -8.303 1.269 1.00 0.00 H new ATOM 0 HB2 ASN A 103 12.860 -10.235 2.197 1.00 0.00 H new ATOM 0 HB3 ASN A 103 11.481 -9.568 1.345 1.00 0.00 H new ATOM 0 HD21 ASN A 103 12.735 -10.343 -1.956 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.801 -9.143 -1.058 1.00 0.00 H new ATOM 1672 N ASP A 104 13.346 -6.609 -0.333 1.00 0.00 N ATOM 1673 CA ASP A 104 12.819 -5.665 -1.313 1.00 0.00 C ATOM 1674 C ASP A 104 13.886 -5.205 -2.302 1.00 0.00 C ATOM 1675 O ASP A 104 13.737 -4.167 -2.951 1.00 0.00 O ATOM 1676 CB ASP A 104 12.235 -4.454 -0.588 1.00 0.00 C ATOM 1677 CG ASP A 104 13.187 -3.896 0.453 1.00 0.00 C ATOM 1678 OD1 ASP A 104 14.373 -3.691 0.122 1.00 0.00 O ATOM 1679 OD2 ASP A 104 12.749 -3.668 1.599 1.00 0.00 O ATOM 0 H ASP A 104 14.363 -6.688 -0.317 1.00 0.00 H new ATOM 0 HA ASP A 104 12.043 -6.177 -1.883 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.998 -3.677 -1.315 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.299 -4.737 -0.107 1.00 0.00 H new ATOM 1684 N GLU A 105 14.954 -5.981 -2.413 1.00 0.00 N ATOM 1685 CA GLU A 105 16.055 -5.661 -3.319 1.00 0.00 C ATOM 1686 C GLU A 105 15.550 -5.384 -4.730 1.00 0.00 C ATOM 1687 O GLU A 105 15.932 -4.395 -5.356 1.00 0.00 O ATOM 1688 CB GLU A 105 17.066 -6.809 -3.346 1.00 0.00 C ATOM 1689 CG GLU A 105 17.841 -6.967 -2.047 1.00 0.00 C ATOM 1690 CD GLU A 105 19.343 -6.949 -2.256 1.00 0.00 C ATOM 1691 OE1 GLU A 105 20.041 -7.765 -1.616 1.00 0.00 O ATOM 1692 OE2 GLU A 105 19.821 -6.122 -3.060 1.00 0.00 O ATOM 0 H GLU A 105 15.085 -6.843 -1.884 1.00 0.00 H new ATOM 0 HA GLU A 105 16.541 -4.758 -2.948 1.00 0.00 H new ATOM 0 HB2 GLU A 105 16.541 -7.740 -3.562 1.00 0.00 H new ATOM 0 HB3 GLU A 105 17.770 -6.643 -4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 105 17.564 -6.165 -1.363 1.00 0.00 H new ATOM 0 HG3 GLU A 105 17.556 -7.905 -1.570 1.00 0.00 H new ATOM 1699 N LYS A 106 14.693 -6.265 -5.222 1.00 0.00 N ATOM 1700 CA LYS A 106 14.132 -6.126 -6.560 1.00 0.00 C ATOM 1701 C LYS A 106 13.070 -5.029 -6.615 1.00 0.00 C ATOM 1702 O LYS A 106 12.606 -4.661 -7.694 1.00 0.00 O ATOM 1703 CB LYS A 106 13.530 -7.454 -7.021 1.00 0.00 C ATOM 1704 CG LYS A 106 12.334 -7.902 -6.194 1.00 0.00 C ATOM 1705 CD LYS A 106 11.705 -9.166 -6.759 1.00 0.00 C ATOM 1706 CE LYS A 106 11.850 -10.339 -5.802 1.00 0.00 C ATOM 1707 NZ LYS A 106 12.167 -11.605 -6.519 1.00 0.00 N ATOM 0 H LYS A 106 14.369 -7.088 -4.714 1.00 0.00 H new ATOM 0 HA LYS A 106 14.944 -5.842 -7.230 1.00 0.00 H new ATOM 0 HB2 LYS A 106 13.226 -7.363 -8.064 1.00 0.00 H new ATOM 0 HB3 LYS A 106 14.299 -8.225 -6.980 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.648 -8.080 -5.165 1.00 0.00 H new ATOM 0 HG3 LYS A 106 11.590 -7.105 -6.167 1.00 0.00 H new ATOM 0 HD2 LYS A 106 10.649 -8.989 -6.961 1.00 0.00 H new ATOM 0 HD3 LYS A 106 12.174 -9.412 -7.711 1.00 0.00 H new ATOM 0 HE2 LYS A 106 12.638 -10.123 -5.080 1.00 0.00 H new ATOM 0 HE3 LYS A 106 10.926 -10.463 -5.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 12.258 -12.380 -5.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 11.403 -11.825 -7.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 13.062 -11.496 -7.037 1.00 0.00 H new ATOM 1721 N TYR A 107 12.670 -4.523 -5.451 1.00 0.00 N ATOM 1722 CA TYR A 107 11.649 -3.493 -5.388 1.00 0.00 C ATOM 1723 C TYR A 107 12.235 -2.092 -5.555 1.00 0.00 C ATOM 1724 O TYR A 107 11.704 -1.285 -6.318 1.00 0.00 O ATOM 1725 CB TYR A 107 10.898 -3.592 -4.067 1.00 0.00 C ATOM 1726 CG TYR A 107 10.066 -4.845 -3.925 1.00 0.00 C ATOM 1727 CD1 TYR A 107 9.929 -5.462 -2.694 1.00 0.00 C ATOM 1728 CD2 TYR A 107 9.410 -5.403 -5.016 1.00 0.00 C ATOM 1729 CE1 TYR A 107 9.165 -6.599 -2.544 1.00 0.00 C ATOM 1730 CE2 TYR A 107 8.643 -6.544 -4.878 1.00 0.00 C ATOM 1731 CZ TYR A 107 8.523 -7.139 -3.640 1.00 0.00 C ATOM 1732 OH TYR A 107 7.759 -8.274 -3.495 1.00 0.00 O ATOM 0 H TYR A 107 13.039 -4.811 -4.545 1.00 0.00 H new ATOM 0 HA TYR A 107 10.961 -3.658 -6.217 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.617 -3.551 -3.248 1.00 0.00 H new ATOM 0 HB3 TYR A 107 10.248 -2.723 -3.965 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.431 -5.044 -1.834 1.00 0.00 H new ATOM 0 HD2 TYR A 107 9.501 -4.938 -5.986 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.069 -7.065 -1.574 1.00 0.00 H new ATOM 0 HE2 TYR A 107 8.140 -6.967 -5.735 1.00 0.00 H new ATOM 0 HH TYR A 107 7.021 -8.257 -4.140 1.00 0.00 H new ATOM 1742 N LYS A 108 13.325 -1.793 -4.849 1.00 0.00 N ATOM 1743 CA LYS A 108 13.938 -0.468 -4.966 1.00 0.00 C ATOM 1744 C LYS A 108 14.845 -0.387 -6.191 1.00 0.00 C ATOM 1745 O LYS A 108 15.354 0.683 -6.525 1.00 0.00 O ATOM 1746 CB LYS A 108 14.727 -0.067 -3.713 1.00 0.00 C ATOM 1747 CG LYS A 108 14.260 -0.717 -2.431 1.00 0.00 C ATOM 1748 CD LYS A 108 15.412 -1.426 -1.780 1.00 0.00 C ATOM 1749 CE LYS A 108 15.899 -2.531 -2.678 1.00 0.00 C ATOM 1750 NZ LYS A 108 17.383 -2.564 -2.780 1.00 0.00 N ATOM 0 H LYS A 108 13.793 -2.431 -4.205 1.00 0.00 H new ATOM 0 HA LYS A 108 13.114 0.237 -5.078 1.00 0.00 H new ATOM 0 HB2 LYS A 108 15.777 -0.316 -3.868 1.00 0.00 H new ATOM 0 HB3 LYS A 108 14.670 1.015 -3.596 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.854 0.036 -1.756 1.00 0.00 H new ATOM 0 HG3 LYS A 108 13.456 -1.423 -2.641 1.00 0.00 H new ATOM 0 HD2 LYS A 108 16.220 -0.722 -1.582 1.00 0.00 H new ATOM 0 HD3 LYS A 108 15.103 -1.835 -0.818 1.00 0.00 H new ATOM 0 HE2 LYS A 108 15.542 -3.488 -2.299 1.00 0.00 H new ATOM 0 HE3 LYS A 108 15.472 -2.403 -3.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 17.661 -3.116 -3.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 17.747 -1.594 -2.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 17.780 -3.006 -1.926 1.00 0.00 H new ATOM 1764 N ALA A 109 15.046 -1.520 -6.862 1.00 0.00 N ATOM 1765 CA ALA A 109 15.892 -1.565 -8.049 1.00 0.00 C ATOM 1766 C ALA A 109 15.060 -1.622 -9.328 1.00 0.00 C ATOM 1767 O ALA A 109 15.563 -2.001 -10.385 1.00 0.00 O ATOM 1768 CB ALA A 109 16.830 -2.760 -7.978 1.00 0.00 C ATOM 0 H ALA A 109 14.634 -2.417 -6.603 1.00 0.00 H new ATOM 0 HA ALA A 109 16.480 -0.648 -8.076 1.00 0.00 H new ATOM 0 HB1 ALA A 109 17.457 -2.784 -8.869 1.00 0.00 H new ATOM 0 HB2 ALA A 109 17.461 -2.676 -7.093 1.00 0.00 H new ATOM 0 HB3 ALA A 109 16.246 -3.678 -7.921 1.00 0.00 H new