USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 745 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 80 THR OG1 : rot -26:sc= -1.99! USER MOD Set 1.2: A 83 HIS : no HD1:sc= 0.737 K(o=-1.3,f=-6!) USER MOD Set 2.1: A 46 HIS : no HE2:sc= 0.75 K(o=-6.8,f=-19!) USER MOD Set 2.2: A 47 GLN : amide:sc= -7.57! C(o=-6.8!,f=-15!) USER MOD Single : A 22 TYR OH : rot 165:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -161:sc= -0.197 (180deg=-1.2) USER MOD Single : A 32 ASN : amide:sc= -1.12 K(o=-1.1,f=-2.2!) USER MOD Single : A 37 ASN : amide:sc=-7.75e-05 K(o=-7.7e-05,f=-1.5!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 141:sc= -0.374 (180deg=-1.47!) USER MOD Single : A 43 GLN :FLIP amide:sc= 0 F(o=-2.4!,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -158:sc= -0.104 (180deg=-0.776) USER MOD Single : A 51 MET CE :methyl 169:sc= 0 (180deg=-0.119) USER MOD Single : A 52 THR OG1 : rot 76:sc= 0.952 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HE2:sc= 0.668 K(o=0.67,f=-2!) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-2.9!) USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 90 ASN : amide:sc= -0.199 K(o=-0.2,f=-1.6!) USER MOD Single : A 94 THR OG1 : rot 73:sc= 0.306 USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 99 ASN : amide:sc= -0.0683 K(o=-0.068,f=-2.2!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN :FLIP amide:sc= -2.09! C(o=-6!,f=-2.1!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 71:sc= 0.812 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 117 HIS : no HD1:sc= -0.159 X(o=-0.16,f=-0.59) USER MOD Single : A 119 ASN : amide:sc= -0.922 K(o=-0.92,f=-1.8!) USER MOD Single : A 123 ASN : amide:sc= -2.42! C(o=-2.4!,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 274 N PHE A 21 -6.055 -12.519 -4.555 1.00 0.00 N ATOM 275 CA PHE A 21 -4.728 -11.915 -4.609 1.00 0.00 C ATOM 276 C PHE A 21 -3.776 -12.621 -3.649 1.00 0.00 C ATOM 277 O PHE A 21 -2.626 -12.896 -3.991 1.00 0.00 O ATOM 278 CB PHE A 21 -4.814 -10.430 -4.256 1.00 0.00 C ATOM 279 CG PHE A 21 -3.460 -9.788 -4.443 1.00 0.00 C ATOM 280 CD1 PHE A 21 -2.992 -9.500 -5.732 1.00 0.00 C ATOM 281 CD2 PHE A 21 -2.669 -9.484 -3.329 1.00 0.00 C ATOM 282 CE1 PHE A 21 -1.735 -8.908 -5.905 1.00 0.00 C ATOM 283 CE2 PHE A 21 -1.412 -8.891 -3.502 1.00 0.00 C ATOM 284 CZ PHE A 21 -0.945 -8.604 -4.790 1.00 0.00 C ATOM 0 HA PHE A 21 -4.342 -12.022 -5.623 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.552 -9.937 -4.889 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.146 -10.309 -3.225 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.601 -9.735 -6.592 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.028 -9.707 -2.335 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.375 -8.686 -6.899 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.803 -8.655 -2.642 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.025 -8.148 -4.924 1.00 0.00 H new ATOM 294 N TYR A 22 -4.264 -12.912 -2.447 1.00 0.00 N ATOM 295 CA TYR A 22 -3.445 -13.588 -1.446 1.00 0.00 C ATOM 296 C TYR A 22 -2.931 -14.920 -1.981 1.00 0.00 C ATOM 297 O TYR A 22 -1.773 -15.278 -1.766 1.00 0.00 O ATOM 298 CB TYR A 22 -4.265 -13.832 -0.178 1.00 0.00 C ATOM 299 CG TYR A 22 -3.404 -14.528 0.848 1.00 0.00 C ATOM 300 CD1 TYR A 22 -2.576 -13.781 1.694 1.00 0.00 C ATOM 301 CD2 TYR A 22 -3.435 -15.924 0.953 1.00 0.00 C ATOM 302 CE1 TYR A 22 -1.779 -14.430 2.644 1.00 0.00 C ATOM 303 CE2 TYR A 22 -2.637 -16.573 1.903 1.00 0.00 C ATOM 304 CZ TYR A 22 -1.809 -15.826 2.749 1.00 0.00 C ATOM 305 OH TYR A 22 -1.022 -16.465 3.685 1.00 0.00 O ATOM 0 H TYR A 22 -5.213 -12.693 -2.144 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.593 -12.949 -1.213 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.631 -12.885 0.220 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.140 -14.440 -0.408 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.552 -12.704 1.614 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.075 -16.500 0.301 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.140 -13.854 3.297 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.660 -17.650 1.983 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.329 -17.389 3.794 1.00 0.00 H new ATOM 315 N GLY A 23 -3.795 -15.649 -2.678 1.00 0.00 N ATOM 316 CA GLY A 23 -3.408 -16.939 -3.235 1.00 0.00 C ATOM 317 C GLY A 23 -2.199 -16.793 -4.150 1.00 0.00 C ATOM 318 O GLY A 23 -1.257 -17.583 -4.080 1.00 0.00 O ATOM 0 H GLY A 23 -4.758 -15.373 -2.869 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.177 -17.634 -2.428 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.242 -17.364 -3.793 1.00 0.00 H new ATOM 322 N LYS A 24 -2.229 -15.776 -5.006 1.00 0.00 N ATOM 323 CA LYS A 24 -1.123 -15.537 -5.926 1.00 0.00 C ATOM 324 C LYS A 24 0.156 -15.230 -5.154 1.00 0.00 C ATOM 325 O LYS A 24 1.234 -15.707 -5.505 1.00 0.00 O ATOM 326 CB LYS A 24 -1.457 -14.367 -6.852 1.00 0.00 C ATOM 327 CG LYS A 24 -2.647 -14.739 -7.738 1.00 0.00 C ATOM 328 CD LYS A 24 -2.906 -13.617 -8.744 1.00 0.00 C ATOM 329 CE LYS A 24 -4.166 -13.935 -9.552 1.00 0.00 C ATOM 330 NZ LYS A 24 -4.190 -15.388 -9.882 1.00 0.00 N ATOM 0 H LYS A 24 -2.999 -15.111 -5.082 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.968 -16.437 -6.522 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.692 -13.480 -6.264 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.593 -14.121 -7.470 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.445 -15.673 -8.263 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.533 -14.903 -7.125 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.026 -12.667 -8.222 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.051 -13.508 -9.411 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.055 -13.666 -8.981 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.183 -13.343 -10.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.841 -15.553 -10.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.234 -15.700 -10.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.512 -15.927 -9.053 1.00 0.00 H new ATOM 344 N VAL A 25 0.025 -14.432 -4.098 1.00 0.00 N ATOM 345 CA VAL A 25 1.177 -14.069 -3.281 1.00 0.00 C ATOM 346 C VAL A 25 1.759 -15.303 -2.600 1.00 0.00 C ATOM 347 O VAL A 25 2.973 -15.504 -2.585 1.00 0.00 O ATOM 348 CB VAL A 25 0.760 -13.047 -2.222 1.00 0.00 C ATOM 349 CG1 VAL A 25 1.923 -12.803 -1.258 1.00 0.00 C ATOM 350 CG2 VAL A 25 0.380 -11.732 -2.904 1.00 0.00 C ATOM 0 H VAL A 25 -0.860 -14.028 -3.790 1.00 0.00 H new ATOM 0 HA VAL A 25 1.938 -13.633 -3.928 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.096 -13.430 -1.667 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.624 -12.075 -0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.194 -13.739 -0.770 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.781 -12.421 -1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.083 -11.004 -2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.236 -11.350 -3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.450 -11.904 -3.589 1.00 0.00 H new ATOM 360 N LEU A 26 0.879 -16.127 -2.041 1.00 0.00 N ATOM 361 CA LEU A 26 1.309 -17.343 -1.362 1.00 0.00 C ATOM 362 C LEU A 26 1.972 -18.300 -2.349 1.00 0.00 C ATOM 363 O LEU A 26 2.923 -19.002 -2.005 1.00 0.00 O ATOM 364 CB LEU A 26 0.105 -18.026 -0.706 1.00 0.00 C ATOM 365 CG LEU A 26 0.576 -19.195 0.163 1.00 0.00 C ATOM 366 CD1 LEU A 26 -0.259 -19.246 1.444 1.00 0.00 C ATOM 367 CD2 LEU A 26 0.397 -20.506 -0.606 1.00 0.00 C ATOM 0 H LEU A 26 -0.130 -15.976 -2.045 1.00 0.00 H new ATOM 0 HA LEU A 26 2.035 -17.075 -0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.444 -17.308 -0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.582 -18.385 -1.472 1.00 0.00 H new ATOM 0 HG LEU A 26 1.628 -19.058 0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.076 -20.078 2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.139 -18.313 1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.310 -19.384 1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.732 -21.339 0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.655 -20.640 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.987 -20.474 -1.522 1.00 0.00 H new ATOM 379 N ALA A 27 1.458 -18.325 -3.574 1.00 0.00 N ATOM 380 CA ALA A 27 1.999 -19.204 -4.605 1.00 0.00 C ATOM 381 C ALA A 27 3.449 -18.847 -4.919 1.00 0.00 C ATOM 382 O ALA A 27 4.266 -19.725 -5.194 1.00 0.00 O ATOM 383 CB ALA A 27 1.159 -19.091 -5.878 1.00 0.00 C ATOM 0 H ALA A 27 0.672 -17.750 -3.877 1.00 0.00 H new ATOM 0 HA ALA A 27 1.965 -20.228 -4.232 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.568 -19.750 -6.644 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.131 -19.381 -5.662 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.179 -18.062 -6.237 1.00 0.00 H new ATOM 389 N ASP A 28 3.763 -17.556 -4.881 1.00 0.00 N ATOM 390 CA ASP A 28 5.120 -17.106 -5.170 1.00 0.00 C ATOM 391 C ASP A 28 5.988 -17.156 -3.915 1.00 0.00 C ATOM 392 O ASP A 28 5.820 -16.354 -2.997 1.00 0.00 O ATOM 393 CB ASP A 28 5.090 -15.679 -5.719 1.00 0.00 C ATOM 394 CG ASP A 28 6.500 -15.235 -6.094 1.00 0.00 C ATOM 395 OD1 ASP A 28 7.394 -16.063 -6.042 1.00 0.00 O ATOM 396 OD2 ASP A 28 6.665 -14.073 -6.427 1.00 0.00 O ATOM 0 H ASP A 28 3.105 -16.810 -4.656 1.00 0.00 H new ATOM 0 HA ASP A 28 5.550 -17.774 -5.916 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.440 -15.630 -6.593 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.673 -15.002 -4.973 1.00 0.00 H new ATOM 401 N GLU A 29 6.915 -18.105 -3.886 1.00 0.00 N ATOM 402 CA GLU A 29 7.811 -18.259 -2.745 1.00 0.00 C ATOM 403 C GLU A 29 8.857 -17.146 -2.716 1.00 0.00 C ATOM 404 O GLU A 29 9.388 -16.809 -1.659 1.00 0.00 O ATOM 405 CB GLU A 29 8.508 -19.618 -2.809 1.00 0.00 C ATOM 406 CG GLU A 29 7.464 -20.730 -2.686 1.00 0.00 C ATOM 407 CD GLU A 29 8.148 -22.093 -2.673 1.00 0.00 C ATOM 408 OE1 GLU A 29 9.346 -22.135 -2.901 1.00 0.00 O ATOM 409 OE2 GLU A 29 7.464 -23.075 -2.433 1.00 0.00 O ATOM 0 H GLU A 29 7.067 -18.778 -4.637 1.00 0.00 H new ATOM 0 HA GLU A 29 7.215 -18.197 -1.834 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.052 -19.717 -3.749 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.241 -19.702 -2.006 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.885 -20.596 -1.772 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.763 -20.675 -3.519 1.00 0.00 H new ATOM 416 N ARG A 30 9.162 -16.594 -3.887 1.00 0.00 N ATOM 417 CA ARG A 30 10.165 -15.537 -3.987 1.00 0.00 C ATOM 418 C ARG A 30 9.843 -14.371 -3.053 1.00 0.00 C ATOM 419 O ARG A 30 10.737 -13.826 -2.404 1.00 0.00 O ATOM 420 CB ARG A 30 10.239 -15.027 -5.427 1.00 0.00 C ATOM 421 CG ARG A 30 10.732 -16.149 -6.343 1.00 0.00 C ATOM 422 CD ARG A 30 10.934 -15.602 -7.757 1.00 0.00 C ATOM 423 NE ARG A 30 9.697 -15.005 -8.249 1.00 0.00 N ATOM 424 CZ ARG A 30 9.648 -14.407 -9.436 1.00 0.00 C ATOM 425 NH1 ARG A 30 10.716 -14.346 -10.181 1.00 0.00 N ATOM 426 NH2 ARG A 30 8.529 -13.880 -9.853 1.00 0.00 N ATOM 0 H ARG A 30 8.733 -16.858 -4.774 1.00 0.00 H new ATOM 0 HA ARG A 30 11.125 -15.959 -3.691 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.257 -14.683 -5.753 1.00 0.00 H new ATOM 0 HB3 ARG A 30 10.913 -14.172 -5.487 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.668 -16.558 -5.963 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.010 -16.965 -6.357 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.730 -14.858 -7.756 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.249 -16.405 -8.424 1.00 0.00 H new ATOM 0 HE ARG A 30 8.856 -15.047 -7.673 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.590 -14.757 -9.854 1.00 0.00 H new ATOM 0 HH12 ARG A 30 10.677 -13.887 -11.091 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.694 -13.927 -9.269 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.489 -13.421 -10.763 1.00 0.00 H new ATOM 440 N VAL A 31 8.572 -13.990 -2.986 1.00 0.00 N ATOM 441 CA VAL A 31 8.171 -12.884 -2.121 1.00 0.00 C ATOM 442 C VAL A 31 8.025 -13.352 -0.677 1.00 0.00 C ATOM 443 O VAL A 31 8.239 -12.583 0.259 1.00 0.00 O ATOM 444 CB VAL A 31 6.848 -12.289 -2.605 1.00 0.00 C ATOM 445 CG1 VAL A 31 7.025 -11.735 -4.021 1.00 0.00 C ATOM 446 CG2 VAL A 31 5.776 -13.377 -2.619 1.00 0.00 C ATOM 0 H VAL A 31 7.812 -14.422 -3.511 1.00 0.00 H new ATOM 0 HA VAL A 31 8.947 -12.120 -2.164 1.00 0.00 H new ATOM 0 HB VAL A 31 6.545 -11.485 -1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.082 -11.311 -4.366 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.791 -10.960 -4.015 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.328 -12.539 -4.691 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.833 -12.954 -2.964 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.081 -14.179 -3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.649 -13.775 -1.612 1.00 0.00 H new ATOM 456 N ASN A 32 7.660 -14.617 -0.506 1.00 0.00 N ATOM 457 CA ASN A 32 7.484 -15.182 0.827 1.00 0.00 C ATOM 458 C ASN A 32 8.756 -15.027 1.654 1.00 0.00 C ATOM 459 O ASN A 32 8.701 -14.906 2.878 1.00 0.00 O ATOM 460 CB ASN A 32 7.117 -16.663 0.726 1.00 0.00 C ATOM 461 CG ASN A 32 5.766 -16.819 0.037 1.00 0.00 C ATOM 462 OD1 ASN A 32 5.031 -15.844 -0.118 1.00 0.00 O ATOM 463 ND2 ASN A 32 5.392 -17.996 -0.387 1.00 0.00 N ATOM 0 H ASN A 32 7.481 -15.269 -1.270 1.00 0.00 H new ATOM 0 HA ASN A 32 6.677 -14.641 1.321 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.884 -17.199 0.167 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.080 -17.106 1.721 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.489 -18.109 -0.848 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.003 -18.803 -0.257 1.00 0.00 H new ATOM 470 N ARG A 33 9.902 -15.038 0.981 1.00 0.00 N ATOM 471 CA ARG A 33 11.181 -14.908 1.671 1.00 0.00 C ATOM 472 C ARG A 33 11.192 -13.665 2.557 1.00 0.00 C ATOM 473 O ARG A 33 11.716 -13.691 3.671 1.00 0.00 O ATOM 474 CB ARG A 33 12.314 -14.813 0.648 1.00 0.00 C ATOM 475 CG ARG A 33 12.406 -16.121 -0.140 1.00 0.00 C ATOM 476 CD ARG A 33 13.600 -16.060 -1.094 1.00 0.00 C ATOM 477 NE ARG A 33 13.471 -14.917 -1.991 1.00 0.00 N ATOM 478 CZ ARG A 33 14.505 -14.485 -2.706 1.00 0.00 C ATOM 479 NH1 ARG A 33 15.660 -15.085 -2.611 1.00 0.00 N ATOM 480 NH2 ARG A 33 14.364 -13.460 -3.502 1.00 0.00 N ATOM 0 H ARG A 33 9.972 -15.135 -0.032 1.00 0.00 H new ATOM 0 HA ARG A 33 11.325 -15.788 2.298 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.135 -13.979 -0.031 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.259 -14.615 1.154 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.516 -16.963 0.544 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.486 -16.285 -0.702 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.526 -15.982 -0.524 1.00 0.00 H new ATOM 0 HD3 ARG A 33 13.659 -16.981 -1.673 1.00 0.00 H new ATOM 0 HE ARG A 33 12.572 -14.441 -2.071 1.00 0.00 H new ATOM 0 HH11 ARG A 33 15.769 -15.885 -1.988 1.00 0.00 H new ATOM 0 HH12 ARG A 33 16.453 -14.754 -3.160 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.461 -12.991 -3.575 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.157 -13.128 -4.051 1.00 0.00 H new ATOM 494 N PHE A 34 10.611 -12.581 2.057 1.00 0.00 N ATOM 495 CA PHE A 34 10.558 -11.333 2.813 1.00 0.00 C ATOM 496 C PHE A 34 9.594 -11.444 3.992 1.00 0.00 C ATOM 497 O PHE A 34 9.780 -10.793 5.019 1.00 0.00 O ATOM 498 CB PHE A 34 10.121 -10.186 1.900 1.00 0.00 C ATOM 499 CG PHE A 34 11.209 -9.908 0.890 1.00 0.00 C ATOM 500 CD1 PHE A 34 12.277 -9.069 1.227 1.00 0.00 C ATOM 501 CD2 PHE A 34 11.149 -10.490 -0.382 1.00 0.00 C ATOM 502 CE1 PHE A 34 13.286 -8.811 0.291 1.00 0.00 C ATOM 503 CE2 PHE A 34 12.158 -10.232 -1.318 1.00 0.00 C ATOM 504 CZ PHE A 34 13.227 -9.393 -0.981 1.00 0.00 C ATOM 0 H PHE A 34 10.172 -12.539 1.137 1.00 0.00 H new ATOM 0 HA PHE A 34 11.556 -11.132 3.201 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.193 -10.446 1.390 1.00 0.00 H new ATOM 0 HB3 PHE A 34 9.921 -9.292 2.491 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.323 -8.621 2.208 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.325 -11.138 -0.641 1.00 0.00 H new ATOM 0 HE1 PHE A 34 14.110 -8.163 0.550 1.00 0.00 H new ATOM 0 HE2 PHE A 34 12.112 -10.680 -2.300 1.00 0.00 H new ATOM 0 HZ PHE A 34 14.006 -9.195 -1.702 1.00 0.00 H new ATOM 514 N PHE A 35 8.560 -12.262 3.832 1.00 0.00 N ATOM 515 CA PHE A 35 7.568 -12.437 4.887 1.00 0.00 C ATOM 516 C PHE A 35 7.990 -13.527 5.867 1.00 0.00 C ATOM 517 O PHE A 35 7.208 -13.941 6.723 1.00 0.00 O ATOM 518 CB PHE A 35 6.211 -12.791 4.275 1.00 0.00 C ATOM 519 CG PHE A 35 5.704 -11.616 3.473 1.00 0.00 C ATOM 520 CD1 PHE A 35 5.059 -10.554 4.119 1.00 0.00 C ATOM 521 CD2 PHE A 35 5.882 -11.586 2.084 1.00 0.00 C ATOM 522 CE1 PHE A 35 4.591 -9.463 3.378 1.00 0.00 C ATOM 523 CE2 PHE A 35 5.414 -10.494 1.343 1.00 0.00 C ATOM 524 CZ PHE A 35 4.768 -9.433 1.989 1.00 0.00 C ATOM 0 H PHE A 35 8.387 -12.810 2.990 1.00 0.00 H new ATOM 0 HA PHE A 35 7.489 -11.497 5.434 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.305 -13.669 3.636 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.499 -13.044 5.061 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.923 -10.577 5.190 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.380 -12.404 1.585 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.094 -8.645 3.877 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.551 -10.470 0.272 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.406 -8.592 1.416 1.00 0.00 H new ATOM 534 N VAL A 36 9.231 -13.988 5.742 1.00 0.00 N ATOM 535 CA VAL A 36 9.739 -15.028 6.630 1.00 0.00 C ATOM 536 C VAL A 36 9.652 -14.577 8.084 1.00 0.00 C ATOM 537 O VAL A 36 9.279 -15.354 8.964 1.00 0.00 O ATOM 538 CB VAL A 36 11.192 -15.350 6.282 1.00 0.00 C ATOM 539 CG1 VAL A 36 11.795 -16.235 7.374 1.00 0.00 C ATOM 540 CG2 VAL A 36 11.241 -16.091 4.945 1.00 0.00 C ATOM 0 H VAL A 36 9.897 -13.662 5.042 1.00 0.00 H new ATOM 0 HA VAL A 36 9.128 -15.921 6.499 1.00 0.00 H new ATOM 0 HB VAL A 36 11.762 -14.424 6.209 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.831 -16.464 7.125 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.758 -15.711 8.329 1.00 0.00 H new ATOM 0 HG13 VAL A 36 11.226 -17.162 7.447 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.276 -16.322 4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.671 -17.017 5.021 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.810 -15.463 4.165 1.00 0.00 H new ATOM 550 N ASN A 37 9.999 -13.318 8.331 1.00 0.00 N ATOM 551 CA ASN A 37 9.954 -12.775 9.683 1.00 0.00 C ATOM 552 C ASN A 37 8.563 -12.231 9.994 1.00 0.00 C ATOM 553 O ASN A 37 8.340 -11.628 11.044 1.00 0.00 O ATOM 554 CB ASN A 37 10.987 -11.657 9.833 1.00 0.00 C ATOM 555 CG ASN A 37 12.390 -12.212 9.616 1.00 0.00 C ATOM 556 OD1 ASN A 37 12.598 -13.423 9.689 1.00 0.00 O ATOM 557 ND2 ASN A 37 13.372 -11.393 9.351 1.00 0.00 N ATOM 0 H ASN A 37 10.312 -12.659 7.618 1.00 0.00 H new ATOM 0 HA ASN A 37 10.184 -13.577 10.385 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.785 -10.865 9.112 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.912 -11.212 10.825 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.314 -11.756 9.204 1.00 0.00 H new ATOM 0 HD22 ASN A 37 13.197 -10.390 9.291 1.00 0.00 H new ATOM 564 N THR A 38 7.633 -12.446 9.070 1.00 0.00 N ATOM 565 CA THR A 38 6.266 -11.972 9.250 1.00 0.00 C ATOM 566 C THR A 38 5.284 -13.141 9.219 1.00 0.00 C ATOM 567 O THR A 38 5.447 -14.079 8.439 1.00 0.00 O ATOM 568 CB THR A 38 5.910 -10.975 8.146 1.00 0.00 C ATOM 569 OG1 THR A 38 6.864 -9.923 8.135 1.00 0.00 O ATOM 570 CG2 THR A 38 4.517 -10.400 8.404 1.00 0.00 C ATOM 0 H THR A 38 7.799 -12.942 8.194 1.00 0.00 H new ATOM 0 HA THR A 38 6.197 -11.480 10.220 1.00 0.00 H new ATOM 0 HB THR A 38 5.917 -11.483 7.182 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.638 -9.284 7.427 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.265 -9.690 7.616 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.786 -11.208 8.412 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.506 -9.892 9.368 1.00 0.00 H new ATOM 578 N ASP A 39 4.267 -13.077 10.074 1.00 0.00 N ATOM 579 CA ASP A 39 3.268 -14.139 10.136 1.00 0.00 C ATOM 580 C ASP A 39 2.211 -13.952 9.050 1.00 0.00 C ATOM 581 O ASP A 39 2.091 -12.875 8.464 1.00 0.00 O ATOM 582 CB ASP A 39 2.596 -14.143 11.511 1.00 0.00 C ATOM 583 CG ASP A 39 1.825 -12.844 11.717 1.00 0.00 C ATOM 584 OD1 ASP A 39 1.635 -12.131 10.746 1.00 0.00 O ATOM 585 OD2 ASP A 39 1.436 -12.582 12.843 1.00 0.00 O ATOM 0 H ASP A 39 4.114 -12.309 10.727 1.00 0.00 H new ATOM 0 HA ASP A 39 3.771 -15.092 9.973 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.920 -14.994 11.592 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.348 -14.258 12.292 1.00 0.00 H new ATOM 590 N MET A 40 1.449 -15.009 8.789 1.00 0.00 N ATOM 591 CA MET A 40 0.404 -14.958 7.772 1.00 0.00 C ATOM 592 C MET A 40 -0.664 -13.928 8.130 1.00 0.00 C ATOM 593 O MET A 40 -1.224 -13.274 7.251 1.00 0.00 O ATOM 594 CB MET A 40 -0.246 -16.335 7.624 1.00 0.00 C ATOM 595 CG MET A 40 0.775 -17.324 7.057 1.00 0.00 C ATOM 596 SD MET A 40 -0.031 -18.915 6.750 1.00 0.00 S ATOM 597 CE MET A 40 1.444 -19.818 6.223 1.00 0.00 C ATOM 0 H MET A 40 1.534 -15.907 9.265 1.00 0.00 H new ATOM 0 HA MET A 40 0.865 -14.664 6.829 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.608 -16.684 8.591 1.00 0.00 H new ATOM 0 HB3 MET A 40 -1.111 -16.271 6.964 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.199 -16.935 6.131 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.601 -17.452 7.757 1.00 0.00 H new ATOM 0 HE1 MET A 40 1.174 -20.845 5.979 1.00 0.00 H new ATOM 0 HE2 MET A 40 1.871 -19.336 5.343 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.178 -19.817 7.029 1.00 0.00 H new ATOM 607 N ALA A 41 -0.949 -13.794 9.422 1.00 0.00 N ATOM 608 CA ALA A 41 -1.963 -12.845 9.872 1.00 0.00 C ATOM 609 C ALA A 41 -1.587 -11.421 9.472 1.00 0.00 C ATOM 610 O ALA A 41 -2.328 -10.753 8.751 1.00 0.00 O ATOM 611 CB ALA A 41 -2.114 -12.927 11.392 1.00 0.00 C ATOM 0 H ALA A 41 -0.498 -14.323 10.168 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.909 -13.103 9.396 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.872 -12.216 11.721 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.416 -13.936 11.674 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.162 -12.687 11.866 1.00 0.00 H new ATOM 617 N LYS A 42 -0.431 -10.964 9.940 1.00 0.00 N ATOM 618 CA LYS A 42 0.034 -9.619 9.618 1.00 0.00 C ATOM 619 C LYS A 42 0.249 -9.477 8.115 1.00 0.00 C ATOM 620 O LYS A 42 0.045 -8.406 7.546 1.00 0.00 O ATOM 621 CB LYS A 42 1.345 -9.326 10.352 1.00 0.00 C ATOM 622 CG LYS A 42 1.152 -9.502 11.863 1.00 0.00 C ATOM 623 CD LYS A 42 0.203 -8.428 12.401 1.00 0.00 C ATOM 624 CE LYS A 42 0.358 -8.327 13.919 1.00 0.00 C ATOM 625 NZ LYS A 42 1.778 -8.024 14.256 1.00 0.00 N ATOM 0 H LYS A 42 0.197 -11.500 10.539 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.726 -8.906 9.938 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.128 -9.996 9.997 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.673 -8.309 10.135 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.749 -10.493 12.073 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.114 -9.435 12.371 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.424 -7.467 11.937 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.827 -8.676 12.145 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.294 -7.546 14.310 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.053 -9.262 14.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.811 -7.351 15.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.265 -8.902 14.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.250 -7.608 13.428 1.00 0.00 H new ATOM 639 N GLN A 43 0.668 -10.568 7.481 1.00 0.00 N ATOM 640 CA GLN A 43 0.915 -10.556 6.044 1.00 0.00 C ATOM 641 C GLN A 43 -0.308 -10.048 5.289 1.00 0.00 C ATOM 642 O GLN A 43 -0.185 -9.267 4.345 1.00 0.00 O ATOM 643 CB GLN A 43 1.260 -11.969 5.570 1.00 0.00 C ATOM 644 CG GLN A 43 1.621 -11.940 4.086 1.00 0.00 C ATOM 645 CD GLN A 43 1.918 -13.351 3.594 1.00 0.00 C ATOM 646 OE1 GLN A 43 1.979 -14.332 4.453 1.00 0.00 O flip ATOM 647 NE2 GLN A 43 2.102 -13.567 2.396 1.00 0.00 N flip ATOM 0 H GLN A 43 0.842 -11.464 7.935 1.00 0.00 H new ATOM 0 HA GLN A 43 1.750 -9.886 5.842 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.094 -12.364 6.150 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.413 -12.635 5.735 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.800 -11.511 3.512 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.489 -11.300 3.927 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.054 -12.799 1.726 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.302 -14.514 2.073 1.00 0.00 H new ATOM 656 N LYS A 44 -1.487 -10.493 5.708 1.00 0.00 N ATOM 657 CA LYS A 44 -2.723 -10.070 5.061 1.00 0.00 C ATOM 658 C LYS A 44 -2.924 -8.565 5.206 1.00 0.00 C ATOM 659 O LYS A 44 -3.400 -7.902 4.285 1.00 0.00 O ATOM 660 CB LYS A 44 -3.913 -10.810 5.674 1.00 0.00 C ATOM 661 CG LYS A 44 -3.807 -12.300 5.348 1.00 0.00 C ATOM 662 CD LYS A 44 -5.056 -13.025 5.851 1.00 0.00 C ATOM 663 CE LYS A 44 -4.912 -14.526 5.596 1.00 0.00 C ATOM 664 NZ LYS A 44 -5.976 -14.973 4.654 1.00 0.00 N ATOM 0 H LYS A 44 -1.613 -11.141 6.486 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.653 -10.310 4.000 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.930 -10.663 6.754 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.847 -10.406 5.283 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.701 -12.441 4.272 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.917 -12.722 5.814 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.194 -12.838 6.916 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.941 -12.642 5.343 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.928 -14.742 5.180 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.988 -15.074 6.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.879 -15.994 4.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.910 -14.780 5.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.883 -14.458 3.755 1.00 0.00 H new ATOM 678 N GLN A 45 -2.564 -8.032 6.370 1.00 0.00 N ATOM 679 CA GLN A 45 -2.717 -6.604 6.620 1.00 0.00 C ATOM 680 C GLN A 45 -1.913 -5.786 5.613 1.00 0.00 C ATOM 681 O GLN A 45 -2.391 -4.773 5.103 1.00 0.00 O ATOM 682 CB GLN A 45 -2.251 -6.269 8.039 1.00 0.00 C ATOM 683 CG GLN A 45 -2.587 -4.810 8.356 1.00 0.00 C ATOM 684 CD GLN A 45 -1.989 -4.416 9.702 1.00 0.00 C ATOM 685 OE1 GLN A 45 -0.768 -4.399 9.859 1.00 0.00 O ATOM 686 NE2 GLN A 45 -2.780 -4.096 10.690 1.00 0.00 N ATOM 0 H GLN A 45 -2.168 -8.561 7.147 1.00 0.00 H new ATOM 0 HA GLN A 45 -3.772 -6.351 6.512 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.736 -6.929 8.758 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.177 -6.434 8.129 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.198 -4.160 7.572 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.668 -4.674 8.376 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.791 -4.110 10.559 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -2.387 -3.832 11.593 1.00 0.00 H new ATOM 695 N HIS A 46 -0.691 -6.227 5.332 1.00 0.00 N ATOM 696 CA HIS A 46 0.162 -5.518 4.383 1.00 0.00 C ATOM 697 C HIS A 46 -0.420 -5.578 2.975 1.00 0.00 C ATOM 698 O HIS A 46 -0.527 -4.557 2.296 1.00 0.00 O ATOM 699 CB HIS A 46 1.568 -6.121 4.381 1.00 0.00 C ATOM 700 CG HIS A 46 2.444 -5.328 3.449 1.00 0.00 C ATOM 701 ND1 HIS A 46 2.768 -5.776 2.179 1.00 0.00 N ATOM 702 CD2 HIS A 46 3.063 -4.110 3.586 1.00 0.00 C ATOM 703 CE1 HIS A 46 3.548 -4.841 1.604 1.00 0.00 C ATOM 704 NE2 HIS A 46 3.760 -3.804 2.419 1.00 0.00 N ATOM 0 H HIS A 46 -0.272 -7.062 5.742 1.00 0.00 H new ATOM 0 HA HIS A 46 0.215 -4.475 4.695 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.984 -6.109 5.389 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.529 -7.163 4.065 1.00 0.00 H new ATOM 0 HD1 HIS A 46 2.470 -6.655 1.756 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.017 -3.484 4.465 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.953 -4.920 0.606 1.00 0.00 H new ATOM 712 N GLN A 47 -0.795 -6.777 2.539 1.00 0.00 N ATOM 713 CA GLN A 47 -1.361 -6.946 1.206 1.00 0.00 C ATOM 714 C GLN A 47 -2.654 -6.150 1.065 1.00 0.00 C ATOM 715 O GLN A 47 -2.910 -5.546 0.023 1.00 0.00 O ATOM 716 CB GLN A 47 -1.640 -8.425 0.928 1.00 0.00 C ATOM 717 CG GLN A 47 -0.345 -9.138 0.528 1.00 0.00 C ATOM 718 CD GLN A 47 0.800 -8.726 1.447 1.00 0.00 C ATOM 719 OE1 GLN A 47 1.160 -7.551 1.506 1.00 0.00 O ATOM 720 NE2 GLN A 47 1.402 -9.633 2.165 1.00 0.00 N ATOM 0 H GLN A 47 -0.718 -7.637 3.083 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.635 -6.575 0.482 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.065 -8.896 1.814 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.378 -8.521 0.132 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.488 -10.218 0.577 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.094 -8.896 -0.505 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.101 -10.606 2.114 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.174 -9.369 2.778 1.00 0.00 H new ATOM 729 N LYS A 48 -3.467 -6.153 2.117 1.00 0.00 N ATOM 730 CA LYS A 48 -4.729 -5.424 2.087 1.00 0.00 C ATOM 731 C LYS A 48 -4.478 -3.933 1.900 1.00 0.00 C ATOM 732 O LYS A 48 -5.108 -3.288 1.062 1.00 0.00 O ATOM 733 CB LYS A 48 -5.498 -5.657 3.388 1.00 0.00 C ATOM 734 CG LYS A 48 -6.887 -5.029 3.279 1.00 0.00 C ATOM 735 CD LYS A 48 -7.635 -5.208 4.601 1.00 0.00 C ATOM 736 CE LYS A 48 -9.085 -4.751 4.435 1.00 0.00 C ATOM 737 NZ LYS A 48 -9.111 -3.417 3.770 1.00 0.00 N ATOM 0 H LYS A 48 -3.278 -6.645 2.990 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.320 -5.790 1.248 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.585 -6.726 3.585 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.955 -5.221 4.227 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.800 -3.969 3.039 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.445 -5.495 2.467 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.605 -6.253 4.909 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.149 -4.630 5.387 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.641 -5.477 3.841 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.574 -4.694 5.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.011 -2.941 3.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.322 -2.838 4.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.018 -3.540 2.741 1.00 0.00 H new ATOM 751 N ASP A 49 -3.549 -3.391 2.683 1.00 0.00 N ATOM 752 CA ASP A 49 -3.218 -1.974 2.588 1.00 0.00 C ATOM 753 C ASP A 49 -2.618 -1.658 1.223 1.00 0.00 C ATOM 754 O ASP A 49 -2.906 -0.618 0.631 1.00 0.00 O ATOM 755 CB ASP A 49 -2.225 -1.595 3.688 1.00 0.00 C ATOM 756 CG ASP A 49 -2.885 -1.724 5.056 1.00 0.00 C ATOM 757 OD1 ASP A 49 -4.097 -1.862 5.096 1.00 0.00 O ATOM 758 OD2 ASP A 49 -2.171 -1.682 6.044 1.00 0.00 O ATOM 0 H ASP A 49 -3.017 -3.907 3.384 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.133 -1.395 2.713 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.349 -2.241 3.636 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.877 -0.573 3.538 1.00 0.00 H new ATOM 763 N PHE A 50 -1.780 -2.566 0.732 1.00 0.00 N ATOM 764 CA PHE A 50 -1.137 -2.382 -0.564 1.00 0.00 C ATOM 765 C PHE A 50 -2.174 -2.329 -1.683 1.00 0.00 C ATOM 766 O PHE A 50 -2.116 -1.464 -2.556 1.00 0.00 O ATOM 767 CB PHE A 50 -0.157 -3.529 -0.822 1.00 0.00 C ATOM 768 CG PHE A 50 0.174 -3.610 -2.296 1.00 0.00 C ATOM 769 CD1 PHE A 50 0.488 -2.452 -3.020 1.00 0.00 C ATOM 770 CD2 PHE A 50 0.165 -4.854 -2.937 1.00 0.00 C ATOM 771 CE1 PHE A 50 0.792 -2.542 -4.384 1.00 0.00 C ATOM 772 CE2 PHE A 50 0.469 -4.943 -4.300 1.00 0.00 C ATOM 773 CZ PHE A 50 0.783 -3.787 -5.023 1.00 0.00 C ATOM 0 H PHE A 50 -1.531 -3.432 1.209 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.597 -1.435 -0.549 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.755 -3.375 -0.245 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.591 -4.471 -0.487 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.496 -1.491 -2.527 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.077 -5.746 -2.379 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.034 -1.650 -4.943 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.461 -5.904 -4.794 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.019 -3.856 -6.075 1.00 0.00 H new ATOM 783 N MET A 51 -3.120 -3.261 -1.649 1.00 0.00 N ATOM 784 CA MET A 51 -4.163 -3.312 -2.667 1.00 0.00 C ATOM 785 C MET A 51 -4.990 -2.029 -2.658 1.00 0.00 C ATOM 786 O MET A 51 -5.375 -1.522 -3.710 1.00 0.00 O ATOM 787 CB MET A 51 -5.074 -4.515 -2.417 1.00 0.00 C ATOM 788 CG MET A 51 -6.086 -4.631 -3.556 1.00 0.00 C ATOM 789 SD MET A 51 -7.231 -5.989 -3.211 1.00 0.00 S ATOM 790 CE MET A 51 -8.176 -5.883 -4.750 1.00 0.00 C ATOM 0 H MET A 51 -3.187 -3.986 -0.934 1.00 0.00 H new ATOM 0 HA MET A 51 -3.688 -3.412 -3.643 1.00 0.00 H new ATOM 0 HB2 MET A 51 -4.480 -5.427 -2.349 1.00 0.00 H new ATOM 0 HB3 MET A 51 -5.593 -4.401 -1.465 1.00 0.00 H new ATOM 0 HG2 MET A 51 -6.636 -3.696 -3.664 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.569 -4.808 -4.499 1.00 0.00 H new ATOM 0 HE1 MET A 51 -8.819 -6.758 -4.843 1.00 0.00 H new ATOM 0 HE2 MET A 51 -8.789 -4.982 -4.739 1.00 0.00 H new ATOM 0 HE3 MET A 51 -7.490 -5.845 -5.596 1.00 0.00 H new ATOM 800 N THR A 52 -5.257 -1.510 -1.464 1.00 0.00 N ATOM 801 CA THR A 52 -6.038 -0.285 -1.332 1.00 0.00 C ATOM 802 C THR A 52 -5.320 0.888 -1.994 1.00 0.00 C ATOM 803 O THR A 52 -5.949 1.746 -2.614 1.00 0.00 O ATOM 804 CB THR A 52 -6.271 0.027 0.148 1.00 0.00 C ATOM 805 OG1 THR A 52 -6.878 -1.093 0.777 1.00 0.00 O ATOM 806 CG2 THR A 52 -7.187 1.245 0.276 1.00 0.00 C ATOM 0 H THR A 52 -4.947 -1.914 -0.580 1.00 0.00 H new ATOM 0 HA THR A 52 -6.996 -0.434 -1.829 1.00 0.00 H new ATOM 0 HB THR A 52 -5.317 0.241 0.629 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.206 -1.791 0.921 1.00 0.00 H new ATOM 0 HG21 THR A 52 -7.353 1.467 1.330 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.720 2.104 -0.206 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.142 1.034 -0.205 1.00 0.00 H new ATOM 814 N TYR A 53 -4.000 0.921 -1.849 1.00 0.00 N ATOM 815 CA TYR A 53 -3.198 1.994 -2.428 1.00 0.00 C ATOM 816 C TYR A 53 -3.400 2.070 -3.939 1.00 0.00 C ATOM 817 O TYR A 53 -3.428 3.157 -4.517 1.00 0.00 O ATOM 818 CB TYR A 53 -1.718 1.761 -2.119 1.00 0.00 C ATOM 819 CG TYR A 53 -0.907 2.937 -2.611 1.00 0.00 C ATOM 820 CD1 TYR A 53 -0.752 4.068 -1.799 1.00 0.00 C ATOM 821 CD2 TYR A 53 -0.309 2.895 -3.875 1.00 0.00 C ATOM 822 CE1 TYR A 53 0.001 5.157 -2.253 1.00 0.00 C ATOM 823 CE2 TYR A 53 0.443 3.986 -4.330 1.00 0.00 C ATOM 824 CZ TYR A 53 0.598 5.116 -3.518 1.00 0.00 C ATOM 825 OH TYR A 53 1.340 6.190 -3.966 1.00 0.00 O ATOM 0 H TYR A 53 -3.464 0.220 -1.338 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.520 2.938 -1.987 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.576 1.632 -1.046 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.376 0.844 -2.599 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.213 4.100 -0.823 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.427 2.022 -4.500 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.121 6.029 -1.627 1.00 0.00 H new ATOM 0 HE2 TYR A 53 0.903 3.955 -5.307 1.00 0.00 H new ATOM 0 HH TYR A 53 1.685 5.998 -4.863 1.00 0.00 H new ATOM 835 N ALA A 54 -3.532 0.910 -4.574 1.00 0.00 N ATOM 836 CA ALA A 54 -3.720 0.860 -6.021 1.00 0.00 C ATOM 837 C ALA A 54 -4.969 1.634 -6.435 1.00 0.00 C ATOM 838 O ALA A 54 -5.010 2.229 -7.511 1.00 0.00 O ATOM 839 CB ALA A 54 -3.845 -0.594 -6.479 1.00 0.00 C ATOM 0 H ALA A 54 -3.513 -0.001 -4.115 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.853 1.320 -6.494 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.985 -0.624 -7.560 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.938 -1.138 -6.215 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.701 -1.057 -5.989 1.00 0.00 H new ATOM 845 N PHE A 55 -5.985 1.620 -5.578 1.00 0.00 N ATOM 846 CA PHE A 55 -7.227 2.327 -5.875 1.00 0.00 C ATOM 847 C PHE A 55 -7.072 3.827 -5.637 1.00 0.00 C ATOM 848 O PHE A 55 -7.996 4.601 -5.889 1.00 0.00 O ATOM 849 CB PHE A 55 -8.366 1.778 -5.016 1.00 0.00 C ATOM 850 CG PHE A 55 -8.781 0.424 -5.543 1.00 0.00 C ATOM 851 CD1 PHE A 55 -9.683 0.338 -6.611 1.00 0.00 C ATOM 852 CD2 PHE A 55 -8.265 -0.743 -4.969 1.00 0.00 C ATOM 853 CE1 PHE A 55 -10.068 -0.914 -7.104 1.00 0.00 C ATOM 854 CE2 PHE A 55 -8.652 -1.996 -5.462 1.00 0.00 C ATOM 855 CZ PHE A 55 -9.553 -2.081 -6.529 1.00 0.00 C ATOM 0 H PHE A 55 -5.975 1.133 -4.682 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.464 2.168 -6.927 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.046 1.694 -3.977 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.213 2.463 -5.034 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -10.082 1.238 -7.054 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.569 -0.678 -4.146 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -10.763 -0.979 -7.928 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.255 -2.897 -5.018 1.00 0.00 H new ATOM 0 HZ PHE A 55 -9.851 -3.047 -6.909 1.00 0.00 H new ATOM 865 N GLY A 56 -5.900 4.233 -5.158 1.00 0.00 N ATOM 866 CA GLY A 56 -5.642 5.647 -4.903 1.00 0.00 C ATOM 867 C GLY A 56 -5.899 6.006 -3.442 1.00 0.00 C ATOM 868 O GLY A 56 -5.871 7.178 -3.072 1.00 0.00 O ATOM 0 H GLY A 56 -5.121 3.611 -4.940 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.609 5.882 -5.161 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.277 6.256 -5.546 1.00 0.00 H new ATOM 1005 N MET A 66 7.680 6.052 5.233 1.00 0.00 N ATOM 1006 CA MET A 66 7.524 4.776 4.545 1.00 0.00 C ATOM 1007 C MET A 66 8.883 4.134 4.276 1.00 0.00 C ATOM 1008 O MET A 66 9.027 2.913 4.354 1.00 0.00 O ATOM 1009 CB MET A 66 6.789 4.987 3.220 1.00 0.00 C ATOM 1010 CG MET A 66 5.384 5.535 3.486 1.00 0.00 C ATOM 1011 SD MET A 66 4.425 4.321 4.426 1.00 0.00 S ATOM 1012 CE MET A 66 3.796 5.452 5.692 1.00 0.00 C ATOM 0 HA MET A 66 6.944 4.111 5.185 1.00 0.00 H new ATOM 0 HB2 MET A 66 7.347 5.681 2.591 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.725 4.045 2.676 1.00 0.00 H new ATOM 0 HG2 MET A 66 5.447 6.471 4.040 1.00 0.00 H new ATOM 0 HG3 MET A 66 4.885 5.756 2.543 1.00 0.00 H new ATOM 0 HE1 MET A 66 3.167 4.902 6.392 1.00 0.00 H new ATOM 0 HE2 MET A 66 4.633 5.898 6.230 1.00 0.00 H new ATOM 0 HE3 MET A 66 3.209 6.239 5.218 1.00 0.00 H new ATOM 1022 N ARG A 67 9.877 4.959 3.959 1.00 0.00 N ATOM 1023 CA ARG A 67 11.215 4.448 3.682 1.00 0.00 C ATOM 1024 C ARG A 67 11.755 3.691 4.890 1.00 0.00 C ATOM 1025 O ARG A 67 12.395 2.650 4.748 1.00 0.00 O ATOM 1026 CB ARG A 67 12.159 5.603 3.339 1.00 0.00 C ATOM 1027 CG ARG A 67 11.692 6.279 2.048 1.00 0.00 C ATOM 1028 CD ARG A 67 12.688 7.371 1.655 1.00 0.00 C ATOM 1029 NE ARG A 67 12.153 8.166 0.555 1.00 0.00 N ATOM 1030 CZ ARG A 67 12.731 9.305 0.187 1.00 0.00 C ATOM 1031 NH1 ARG A 67 13.795 9.728 0.811 1.00 0.00 N ATOM 1032 NH2 ARG A 67 12.233 9.999 -0.800 1.00 0.00 N ATOM 0 H ARG A 67 9.783 5.972 3.888 1.00 0.00 H new ATOM 0 HA ARG A 67 11.155 3.767 2.833 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.177 6.326 4.154 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.177 5.231 3.220 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.609 5.543 1.249 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.701 6.710 2.188 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.892 8.013 2.512 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.636 6.921 1.361 1.00 0.00 H new ATOM 0 HE ARG A 67 11.322 7.843 0.060 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.184 9.185 1.582 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.238 10.602 0.528 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.401 9.667 -1.288 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.676 10.873 -1.083 1.00 0.00 H new ATOM 1046 N ALA A 68 11.488 4.221 6.081 1.00 0.00 N ATOM 1047 CA ALA A 68 11.949 3.589 7.311 1.00 0.00 C ATOM 1048 C ALA A 68 11.287 2.227 7.497 1.00 0.00 C ATOM 1049 O ALA A 68 11.910 1.287 7.992 1.00 0.00 O ATOM 1050 CB ALA A 68 11.623 4.483 8.510 1.00 0.00 C ATOM 0 H ALA A 68 10.958 5.081 6.219 1.00 0.00 H new ATOM 0 HA ALA A 68 13.028 3.449 7.242 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.970 4.004 9.426 1.00 0.00 H new ATOM 0 HB2 ALA A 68 12.121 5.445 8.392 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.545 4.637 8.567 1.00 0.00 H new ATOM 1056 N ALA A 69 10.024 2.129 7.097 1.00 0.00 N ATOM 1057 CA ALA A 69 9.287 0.878 7.227 1.00 0.00 C ATOM 1058 C ALA A 69 9.918 -0.213 6.367 1.00 0.00 C ATOM 1059 O ALA A 69 9.958 -1.379 6.758 1.00 0.00 O ATOM 1060 CB ALA A 69 7.831 1.084 6.805 1.00 0.00 C ATOM 0 H ALA A 69 9.493 2.895 6.683 1.00 0.00 H new ATOM 0 HA ALA A 69 9.324 0.566 8.271 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.287 0.145 6.905 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.371 1.839 7.442 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.796 1.415 5.767 1.00 0.00 H new ATOM 1066 N HIS A 70 10.407 0.174 5.194 1.00 0.00 N ATOM 1067 CA HIS A 70 11.032 -0.782 4.287 1.00 0.00 C ATOM 1068 C HIS A 70 12.545 -0.807 4.486 1.00 0.00 C ATOM 1069 O HIS A 70 13.230 -1.707 4.002 1.00 0.00 O ATOM 1070 CB HIS A 70 10.707 -0.411 2.839 1.00 0.00 C ATOM 1071 CG HIS A 70 9.217 -0.466 2.633 1.00 0.00 C ATOM 1072 ND1 HIS A 70 8.415 0.661 2.731 1.00 0.00 N ATOM 1073 CD2 HIS A 70 8.368 -1.506 2.343 1.00 0.00 C ATOM 1074 CE1 HIS A 70 7.146 0.276 2.503 1.00 0.00 C ATOM 1075 NE2 HIS A 70 7.060 -1.035 2.261 1.00 0.00 N ATOM 0 H HIS A 70 10.383 1.134 4.851 1.00 0.00 H new ATOM 0 HA HIS A 70 10.638 -1.774 4.506 1.00 0.00 H new ATOM 0 HB2 HIS A 70 11.080 0.589 2.615 1.00 0.00 H new ATOM 0 HB3 HIS A 70 11.206 -1.098 2.155 1.00 0.00 H new ATOM 0 HD1 HIS A 70 8.730 1.609 2.938 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.669 -2.533 2.200 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.299 0.946 2.514 1.00 0.00 H new ATOM 1083 N GLN A 71 13.059 0.187 5.205 1.00 0.00 N ATOM 1084 CA GLN A 71 14.493 0.269 5.464 1.00 0.00 C ATOM 1085 C GLN A 71 14.982 -0.973 6.202 1.00 0.00 C ATOM 1086 O GLN A 71 16.081 -1.465 5.944 1.00 0.00 O ATOM 1087 CB GLN A 71 14.802 1.514 6.297 1.00 0.00 C ATOM 1088 CG GLN A 71 16.316 1.671 6.447 1.00 0.00 C ATOM 1089 CD GLN A 71 16.630 2.944 7.226 1.00 0.00 C ATOM 1090 OE1 GLN A 71 15.727 3.721 7.536 1.00 0.00 O ATOM 1091 NE2 GLN A 71 17.864 3.207 7.559 1.00 0.00 N ATOM 0 H GLN A 71 12.509 0.941 5.616 1.00 0.00 H new ATOM 0 HA GLN A 71 15.010 0.333 4.507 1.00 0.00 H new ATOM 0 HB2 GLN A 71 14.381 2.398 5.818 1.00 0.00 H new ATOM 0 HB3 GLN A 71 14.336 1.431 7.279 1.00 0.00 H new ATOM 0 HG2 GLN A 71 16.731 0.806 6.964 1.00 0.00 H new ATOM 0 HG3 GLN A 71 16.786 1.710 5.464 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.610 2.562 7.301 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.082 4.058 8.077 1.00 0.00 H new ATOM 1100 N ASP A 72 14.163 -1.473 7.122 1.00 0.00 N ATOM 1101 CA ASP A 72 14.534 -2.657 7.891 1.00 0.00 C ATOM 1102 C ASP A 72 14.829 -3.829 6.962 1.00 0.00 C ATOM 1103 O ASP A 72 15.775 -4.585 7.185 1.00 0.00 O ATOM 1104 CB ASP A 72 13.399 -3.037 8.845 1.00 0.00 C ATOM 1105 CG ASP A 72 13.243 -1.970 9.923 1.00 0.00 C ATOM 1106 OD1 ASP A 72 14.107 -1.114 10.010 1.00 0.00 O ATOM 1107 OD2 ASP A 72 12.261 -2.025 10.645 1.00 0.00 O ATOM 0 H ASP A 72 13.249 -1.083 7.352 1.00 0.00 H new ATOM 0 HA ASP A 72 15.432 -2.426 8.465 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.467 -3.144 8.290 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.608 -4.003 9.305 1.00 0.00 H new ATOM 1112 N LEU A 73 14.016 -3.975 5.922 1.00 0.00 N ATOM 1113 CA LEU A 73 14.204 -5.060 4.967 1.00 0.00 C ATOM 1114 C LEU A 73 15.529 -4.903 4.230 1.00 0.00 C ATOM 1115 O LEU A 73 16.225 -5.883 3.969 1.00 0.00 O ATOM 1116 CB LEU A 73 13.057 -5.066 3.954 1.00 0.00 C ATOM 1117 CG LEU A 73 11.721 -5.193 4.690 1.00 0.00 C ATOM 1118 CD1 LEU A 73 10.580 -5.238 3.672 1.00 0.00 C ATOM 1119 CD2 LEU A 73 11.714 -6.482 5.516 1.00 0.00 C ATOM 0 H LEU A 73 13.227 -3.361 5.720 1.00 0.00 H new ATOM 0 HA LEU A 73 14.214 -6.002 5.515 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.074 -4.149 3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 73 13.179 -5.894 3.256 1.00 0.00 H new ATOM 0 HG LEU A 73 11.588 -4.336 5.350 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.628 -5.328 4.196 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.583 -4.322 3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.714 -6.096 3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.763 -6.573 6.040 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.847 -7.338 4.855 1.00 0.00 H new ATOM 0 HD23 LEU A 73 12.527 -6.454 6.242 1.00 0.00 H new ATOM 1131 N VAL A 74 15.872 -3.661 3.899 1.00 0.00 N ATOM 1132 CA VAL A 74 17.116 -3.384 3.190 1.00 0.00 C ATOM 1133 C VAL A 74 18.322 -3.757 4.044 1.00 0.00 C ATOM 1134 O VAL A 74 19.296 -4.323 3.547 1.00 0.00 O ATOM 1135 CB VAL A 74 17.189 -1.901 2.824 1.00 0.00 C ATOM 1136 CG1 VAL A 74 18.566 -1.587 2.237 1.00 0.00 C ATOM 1137 CG2 VAL A 74 16.109 -1.578 1.789 1.00 0.00 C ATOM 0 H VAL A 74 15.310 -2.836 4.109 1.00 0.00 H new ATOM 0 HA VAL A 74 17.132 -3.986 2.282 1.00 0.00 H new ATOM 0 HB VAL A 74 17.029 -1.298 3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.618 -0.530 1.976 1.00 0.00 H new ATOM 0 HG12 VAL A 74 19.336 -1.817 2.973 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.726 -2.190 1.343 1.00 0.00 H new ATOM 0 HG21 VAL A 74 16.160 -0.521 1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 74 16.269 -2.181 0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 74 15.127 -1.801 2.206 1.00 0.00 H new ATOM 1147 N GLU A 75 18.254 -3.431 5.331 1.00 0.00 N ATOM 1148 CA GLU A 75 19.350 -3.732 6.242 1.00 0.00 C ATOM 1149 C GLU A 75 19.562 -5.239 6.358 1.00 0.00 C ATOM 1150 O GLU A 75 20.694 -5.705 6.494 1.00 0.00 O ATOM 1151 CB GLU A 75 19.052 -3.149 7.626 1.00 0.00 C ATOM 1152 CG GLU A 75 18.995 -1.622 7.534 1.00 0.00 C ATOM 1153 CD GLU A 75 18.767 -1.025 8.918 1.00 0.00 C ATOM 1154 OE1 GLU A 75 18.504 -1.785 9.835 1.00 0.00 O ATOM 1155 OE2 GLU A 75 18.858 0.186 9.041 1.00 0.00 O ATOM 0 H GLU A 75 17.458 -2.962 5.763 1.00 0.00 H new ATOM 0 HA GLU A 75 20.259 -3.282 5.843 1.00 0.00 H new ATOM 0 HB2 GLU A 75 18.105 -3.537 8.000 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.823 -3.453 8.334 1.00 0.00 H new ATOM 0 HG2 GLU A 75 19.925 -1.240 7.113 1.00 0.00 H new ATOM 0 HG3 GLU A 75 18.192 -1.320 6.862 1.00 0.00 H new ATOM 1162 N ASN A 76 18.471 -5.996 6.305 1.00 0.00 N ATOM 1163 CA ASN A 76 18.559 -7.448 6.410 1.00 0.00 C ATOM 1164 C ASN A 76 18.689 -8.087 5.028 1.00 0.00 C ATOM 1165 O ASN A 76 19.687 -8.744 4.730 1.00 0.00 O ATOM 1166 CB ASN A 76 17.313 -7.996 7.107 1.00 0.00 C ATOM 1167 CG ASN A 76 17.226 -7.448 8.527 1.00 0.00 C ATOM 1168 OD1 ASN A 76 18.223 -6.978 9.075 1.00 0.00 O ATOM 1169 ND2 ASN A 76 16.084 -7.479 9.160 1.00 0.00 N ATOM 0 H ASN A 76 17.525 -5.633 6.191 1.00 0.00 H new ATOM 0 HA ASN A 76 19.446 -7.694 6.994 1.00 0.00 H new ATOM 0 HB2 ASN A 76 16.421 -7.718 6.546 1.00 0.00 H new ATOM 0 HB3 ASN A 76 17.349 -9.085 7.130 1.00 0.00 H new ATOM 0 HD21 ASN A 76 16.017 -7.113 10.110 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.259 -7.869 8.704 1.00 0.00 H new ATOM 1176 N ALA A 77 17.675 -7.890 4.193 1.00 0.00 N ATOM 1177 CA ALA A 77 17.685 -8.453 2.847 1.00 0.00 C ATOM 1178 C ALA A 77 17.828 -7.353 1.799 1.00 0.00 C ATOM 1179 O ALA A 77 17.361 -6.233 1.997 1.00 0.00 O ATOM 1180 CB ALA A 77 16.392 -9.231 2.598 1.00 0.00 C ATOM 0 H ALA A 77 16.841 -7.349 4.421 1.00 0.00 H new ATOM 0 HA ALA A 77 18.539 -9.126 2.765 1.00 0.00 H new ATOM 0 HB1 ALA A 77 16.407 -9.648 1.591 1.00 0.00 H new ATOM 0 HB2 ALA A 77 16.308 -10.039 3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.539 -8.561 2.700 1.00 0.00 H new ATOM 1186 N GLY A 78 18.468 -7.682 0.683 1.00 0.00 N ATOM 1187 CA GLY A 78 18.654 -6.711 -0.389 1.00 0.00 C ATOM 1188 C GLY A 78 17.406 -6.631 -1.261 1.00 0.00 C ATOM 1189 O GLY A 78 17.107 -7.554 -2.019 1.00 0.00 O ATOM 0 H GLY A 78 18.863 -8.604 0.497 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.872 -5.731 0.034 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.513 -6.993 -0.998 1.00 0.00 H new ATOM 1193 N LEU A 79 16.677 -5.526 -1.145 1.00 0.00 N ATOM 1194 CA LEU A 79 15.459 -5.343 -1.927 1.00 0.00 C ATOM 1195 C LEU A 79 15.721 -4.437 -3.125 1.00 0.00 C ATOM 1196 O LEU A 79 16.272 -3.345 -2.983 1.00 0.00 O ATOM 1197 CB LEU A 79 14.364 -4.733 -1.048 1.00 0.00 C ATOM 1198 CG LEU A 79 13.048 -4.679 -1.828 1.00 0.00 C ATOM 1199 CD1 LEU A 79 12.531 -6.099 -2.073 1.00 0.00 C ATOM 1200 CD2 LEU A 79 12.012 -3.895 -1.020 1.00 0.00 C ATOM 0 H LEU A 79 16.905 -4.750 -0.523 1.00 0.00 H new ATOM 0 HA LEU A 79 15.132 -6.317 -2.291 1.00 0.00 H new ATOM 0 HB2 LEU A 79 14.238 -5.327 -0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 79 14.653 -3.730 -0.733 1.00 0.00 H new ATOM 0 HG LEU A 79 13.217 -4.187 -2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.594 -6.054 -2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 79 13.267 -6.660 -2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 79 12.363 -6.595 -1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 79 11.074 -3.855 -1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.848 -4.389 -0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.375 -2.882 -0.848 1.00 0.00 H new ATOM 1212 N THR A 80 15.320 -4.898 -4.305 1.00 0.00 N ATOM 1213 CA THR A 80 15.513 -4.122 -5.525 1.00 0.00 C ATOM 1214 C THR A 80 14.178 -3.881 -6.226 1.00 0.00 C ATOM 1215 O THR A 80 13.170 -4.506 -5.897 1.00 0.00 O ATOM 1216 CB THR A 80 16.473 -4.853 -6.468 1.00 0.00 C ATOM 1217 OG1 THR A 80 15.888 -6.077 -6.883 1.00 0.00 O ATOM 1218 CG2 THR A 80 17.790 -5.134 -5.743 1.00 0.00 C ATOM 0 H THR A 80 14.862 -5.799 -4.443 1.00 0.00 H new ATOM 0 HA THR A 80 15.943 -3.158 -5.255 1.00 0.00 H new ATOM 0 HB THR A 80 16.668 -4.230 -7.341 1.00 0.00 H new ATOM 0 HG1 THR A 80 15.252 -6.383 -6.203 1.00 0.00 H new ATOM 0 HG21 THR A 80 18.472 -5.654 -6.416 1.00 0.00 H new ATOM 0 HG22 THR A 80 18.240 -4.193 -5.427 1.00 0.00 H new ATOM 0 HG23 THR A 80 17.598 -5.756 -4.868 1.00 0.00 H new ATOM 1226 N ASP A 81 14.179 -2.963 -7.185 1.00 0.00 N ATOM 1227 CA ASP A 81 12.966 -2.629 -7.925 1.00 0.00 C ATOM 1228 C ASP A 81 12.342 -3.870 -8.562 1.00 0.00 C ATOM 1229 O ASP A 81 11.119 -3.968 -8.671 1.00 0.00 O ATOM 1230 CB ASP A 81 13.286 -1.608 -9.017 1.00 0.00 C ATOM 1231 CG ASP A 81 13.673 -0.273 -8.388 1.00 0.00 C ATOM 1232 OD1 ASP A 81 13.434 -0.108 -7.203 1.00 0.00 O ATOM 1233 OD2 ASP A 81 14.203 0.563 -9.101 1.00 0.00 O ATOM 0 H ASP A 81 15.005 -2.436 -7.469 1.00 0.00 H new ATOM 0 HA ASP A 81 12.251 -2.207 -7.219 1.00 0.00 H new ATOM 0 HB2 ASP A 81 14.101 -1.975 -9.641 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.421 -1.476 -9.667 1.00 0.00 H new ATOM 1238 N VAL A 82 13.181 -4.804 -8.995 1.00 0.00 N ATOM 1239 CA VAL A 82 12.682 -6.017 -9.635 1.00 0.00 C ATOM 1240 C VAL A 82 11.580 -6.659 -8.794 1.00 0.00 C ATOM 1241 O VAL A 82 10.581 -7.139 -9.329 1.00 0.00 O ATOM 1242 CB VAL A 82 13.826 -7.015 -9.835 1.00 0.00 C ATOM 1243 CG1 VAL A 82 14.071 -7.789 -8.539 1.00 0.00 C ATOM 1244 CG2 VAL A 82 13.453 -7.995 -10.949 1.00 0.00 C ATOM 0 H VAL A 82 14.196 -4.748 -8.917 1.00 0.00 H new ATOM 0 HA VAL A 82 12.266 -5.745 -10.605 1.00 0.00 H new ATOM 0 HB VAL A 82 14.733 -6.475 -10.108 1.00 0.00 H new ATOM 0 HG11 VAL A 82 14.886 -8.498 -8.687 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.336 -7.092 -7.744 1.00 0.00 H new ATOM 0 HG13 VAL A 82 13.166 -8.330 -8.261 1.00 0.00 H new ATOM 0 HG21 VAL A 82 14.265 -8.707 -11.094 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.545 -8.531 -10.673 1.00 0.00 H new ATOM 0 HG23 VAL A 82 13.282 -7.446 -11.875 1.00 0.00 H new ATOM 1254 N HIS A 83 11.762 -6.661 -7.477 1.00 0.00 N ATOM 1255 CA HIS A 83 10.769 -7.242 -6.582 1.00 0.00 C ATOM 1256 C HIS A 83 9.434 -6.520 -6.728 1.00 0.00 C ATOM 1257 O HIS A 83 8.377 -7.150 -6.772 1.00 0.00 O ATOM 1258 CB HIS A 83 11.251 -7.149 -5.134 1.00 0.00 C ATOM 1259 CG HIS A 83 12.460 -8.025 -4.951 1.00 0.00 C ATOM 1260 ND1 HIS A 83 13.752 -7.542 -5.087 1.00 0.00 N ATOM 1261 CD2 HIS A 83 12.589 -9.358 -4.647 1.00 0.00 C ATOM 1262 CE1 HIS A 83 14.594 -8.567 -4.866 1.00 0.00 C ATOM 1263 NE2 HIS A 83 13.938 -9.698 -4.594 1.00 0.00 N ATOM 0 H HIS A 83 12.580 -6.270 -7.010 1.00 0.00 H new ATOM 0 HA HIS A 83 10.633 -8.290 -6.849 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.496 -6.116 -4.887 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.457 -7.460 -4.455 1.00 0.00 H new ATOM 0 HD2 HIS A 83 11.769 -10.039 -4.475 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.670 -8.485 -4.904 1.00 0.00 H new ATOM 0 HE2 HIS A 83 14.339 -10.614 -4.391 1.00 0.00 H new ATOM 1271 N PHE A 84 9.491 -5.195 -6.808 1.00 0.00 N ATOM 1272 CA PHE A 84 8.282 -4.394 -6.953 1.00 0.00 C ATOM 1273 C PHE A 84 7.530 -4.787 -8.220 1.00 0.00 C ATOM 1274 O PHE A 84 6.309 -4.929 -8.211 1.00 0.00 O ATOM 1275 CB PHE A 84 8.650 -2.910 -7.017 1.00 0.00 C ATOM 1276 CG PHE A 84 7.392 -2.076 -7.051 1.00 0.00 C ATOM 1277 CD1 PHE A 84 6.759 -1.713 -5.857 1.00 0.00 C ATOM 1278 CD2 PHE A 84 6.859 -1.667 -8.280 1.00 0.00 C ATOM 1279 CE1 PHE A 84 5.593 -0.939 -5.891 1.00 0.00 C ATOM 1280 CE2 PHE A 84 5.692 -0.893 -8.312 1.00 0.00 C ATOM 1281 CZ PHE A 84 5.059 -0.529 -7.118 1.00 0.00 C ATOM 0 H PHE A 84 10.356 -4.656 -6.775 1.00 0.00 H new ATOM 0 HA PHE A 84 7.639 -4.575 -6.091 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.255 -2.638 -6.152 1.00 0.00 H new ATOM 0 HB3 PHE A 84 9.253 -2.713 -7.903 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.170 -2.030 -4.910 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.347 -1.948 -9.202 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.105 -0.658 -4.969 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.280 -0.577 -9.259 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.159 0.068 -7.143 1.00 0.00 H new ATOM 1291 N ASP A 85 8.270 -4.956 -9.308 1.00 0.00 N ATOM 1292 CA ASP A 85 7.667 -5.331 -10.582 1.00 0.00 C ATOM 1293 C ASP A 85 7.031 -6.717 -10.502 1.00 0.00 C ATOM 1294 O ASP A 85 6.003 -6.973 -11.127 1.00 0.00 O ATOM 1295 CB ASP A 85 8.728 -5.318 -11.684 1.00 0.00 C ATOM 1296 CG ASP A 85 8.069 -5.527 -13.042 1.00 0.00 C ATOM 1297 OD1 ASP A 85 7.586 -4.555 -13.600 1.00 0.00 O ATOM 1298 OD2 ASP A 85 8.057 -6.655 -13.506 1.00 0.00 O ATOM 0 H ASP A 85 9.283 -4.840 -9.335 1.00 0.00 H new ATOM 0 HA ASP A 85 6.887 -4.606 -10.814 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.265 -4.369 -11.673 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.463 -6.102 -11.502 1.00 0.00 H new ATOM 1303 N ALA A 86 7.658 -7.613 -9.744 1.00 0.00 N ATOM 1304 CA ALA A 86 7.151 -8.977 -9.611 1.00 0.00 C ATOM 1305 C ALA A 86 5.757 -8.997 -8.989 1.00 0.00 C ATOM 1306 O ALA A 86 4.805 -9.482 -9.601 1.00 0.00 O ATOM 1307 CB ALA A 86 8.104 -9.803 -8.747 1.00 0.00 C ATOM 0 H ALA A 86 8.510 -7.422 -9.217 1.00 0.00 H new ATOM 0 HA ALA A 86 7.086 -9.408 -10.610 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.721 -10.819 -8.652 1.00 0.00 H new ATOM 0 HB2 ALA A 86 9.088 -9.829 -9.214 1.00 0.00 H new ATOM 0 HB3 ALA A 86 8.183 -9.351 -7.758 1.00 0.00 H new ATOM 1313 N ILE A 87 5.639 -8.476 -7.772 1.00 0.00 N ATOM 1314 CA ILE A 87 4.349 -8.455 -7.090 1.00 0.00 C ATOM 1315 C ILE A 87 3.341 -7.618 -7.874 1.00 0.00 C ATOM 1316 O ILE A 87 2.133 -7.840 -7.785 1.00 0.00 O ATOM 1317 CB ILE A 87 4.507 -7.888 -5.676 1.00 0.00 C ATOM 1318 CG1 ILE A 87 3.269 -8.234 -4.843 1.00 0.00 C ATOM 1319 CG2 ILE A 87 4.660 -6.370 -5.745 1.00 0.00 C ATOM 1320 CD1 ILE A 87 3.547 -7.934 -3.368 1.00 0.00 C ATOM 0 H ILE A 87 6.410 -8.068 -7.243 1.00 0.00 H new ATOM 0 HA ILE A 87 3.979 -9.478 -7.025 1.00 0.00 H new ATOM 0 HB ILE A 87 5.393 -8.322 -5.212 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.412 -7.655 -5.188 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.015 -9.286 -4.970 1.00 0.00 H new ATOM 0 HG21 ILE A 87 4.772 -5.969 -4.737 1.00 0.00 H new ATOM 0 HG22 ILE A 87 5.541 -6.120 -6.335 1.00 0.00 H new ATOM 0 HG23 ILE A 87 3.776 -5.936 -6.212 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.666 -8.180 -2.774 1.00 0.00 H new ATOM 0 HD12 ILE A 87 4.392 -8.532 -3.028 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.780 -6.876 -3.250 1.00 0.00 H new ATOM 1332 N ALA A 88 3.847 -6.657 -8.640 1.00 0.00 N ATOM 1333 CA ALA A 88 2.981 -5.793 -9.434 1.00 0.00 C ATOM 1334 C ALA A 88 2.236 -6.598 -10.494 1.00 0.00 C ATOM 1335 O ALA A 88 1.054 -6.364 -10.745 1.00 0.00 O ATOM 1336 CB ALA A 88 3.814 -4.703 -10.113 1.00 0.00 C ATOM 0 H ALA A 88 4.844 -6.458 -8.728 1.00 0.00 H new ATOM 0 HA ALA A 88 2.251 -5.335 -8.767 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.161 -4.061 -10.704 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.319 -4.106 -9.354 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.556 -5.165 -10.765 1.00 0.00 H new ATOM 1342 N GLU A 89 2.933 -7.547 -11.113 1.00 0.00 N ATOM 1343 CA GLU A 89 2.321 -8.376 -12.144 1.00 0.00 C ATOM 1344 C GLU A 89 1.205 -9.234 -11.557 1.00 0.00 C ATOM 1345 O GLU A 89 0.194 -9.485 -12.213 1.00 0.00 O ATOM 1346 CB GLU A 89 3.376 -9.281 -12.788 1.00 0.00 C ATOM 1347 CG GLU A 89 4.366 -8.432 -13.587 1.00 0.00 C ATOM 1348 CD GLU A 89 3.651 -7.736 -14.742 1.00 0.00 C ATOM 1349 OE1 GLU A 89 2.553 -8.155 -15.070 1.00 0.00 O ATOM 1350 OE2 GLU A 89 4.211 -6.795 -15.279 1.00 0.00 O ATOM 0 H GLU A 89 3.912 -7.759 -10.921 1.00 0.00 H new ATOM 0 HA GLU A 89 1.896 -7.717 -12.901 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.904 -9.845 -12.019 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.895 -10.008 -13.442 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.828 -7.690 -12.936 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.168 -9.062 -13.973 1.00 0.00 H new ATOM 1357 N ASN A 90 1.394 -9.684 -10.321 1.00 0.00 N ATOM 1358 CA ASN A 90 0.392 -10.515 -9.665 1.00 0.00 C ATOM 1359 C ASN A 90 -0.954 -9.799 -9.626 1.00 0.00 C ATOM 1360 O ASN A 90 -2.001 -10.413 -9.824 1.00 0.00 O ATOM 1361 CB ASN A 90 0.837 -10.845 -8.239 1.00 0.00 C ATOM 1362 CG ASN A 90 2.108 -11.687 -8.273 1.00 0.00 C ATOM 1363 OD1 ASN A 90 2.440 -12.273 -9.304 1.00 0.00 O ATOM 1364 ND2 ASN A 90 2.845 -11.781 -7.200 1.00 0.00 N ATOM 0 H ASN A 90 2.223 -9.490 -9.759 1.00 0.00 H new ATOM 0 HA ASN A 90 0.285 -11.438 -10.234 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.015 -9.925 -7.682 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.047 -11.385 -7.718 1.00 0.00 H new ATOM 0 HD21 ASN A 90 3.698 -12.341 -7.214 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.568 -11.295 -6.347 1.00 0.00 H new ATOM 1371 N LEU A 91 -0.918 -8.495 -9.371 1.00 0.00 N ATOM 1372 CA LEU A 91 -2.142 -7.706 -9.314 1.00 0.00 C ATOM 1373 C LEU A 91 -2.832 -7.686 -10.674 1.00 0.00 C ATOM 1374 O LEU A 91 -4.060 -7.735 -10.758 1.00 0.00 O ATOM 1375 CB LEU A 91 -1.823 -6.273 -8.879 1.00 0.00 C ATOM 1376 CG LEU A 91 -3.126 -5.495 -8.685 1.00 0.00 C ATOM 1377 CD1 LEU A 91 -3.906 -6.080 -7.504 1.00 0.00 C ATOM 1378 CD2 LEU A 91 -2.803 -4.026 -8.402 1.00 0.00 C ATOM 0 H LEU A 91 -0.062 -7.966 -9.202 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.812 -8.164 -8.587 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.251 -6.282 -7.951 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.203 -5.783 -9.630 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.730 -5.571 -9.589 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.833 -5.523 -7.369 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.137 -7.127 -7.703 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.304 -6.007 -6.598 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.730 -3.470 -8.263 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.198 -3.954 -7.498 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.250 -3.606 -9.243 1.00 0.00 H new ATOM 1390 N VAL A 92 -2.035 -7.612 -11.735 1.00 0.00 N ATOM 1391 CA VAL A 92 -2.580 -7.585 -13.087 1.00 0.00 C ATOM 1392 C VAL A 92 -3.345 -8.871 -13.385 1.00 0.00 C ATOM 1393 O VAL A 92 -4.429 -8.839 -13.967 1.00 0.00 O ATOM 1394 CB VAL A 92 -1.448 -7.419 -14.102 1.00 0.00 C ATOM 1395 CG1 VAL A 92 -2.007 -7.557 -15.520 1.00 0.00 C ATOM 1396 CG2 VAL A 92 -0.815 -6.035 -13.938 1.00 0.00 C ATOM 0 H VAL A 92 -1.017 -7.570 -11.686 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.266 -6.742 -13.164 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.694 -8.188 -13.932 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.200 -7.439 -16.243 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.459 -8.542 -15.639 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.762 -6.789 -15.690 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.008 -5.916 -14.661 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.570 -5.267 -14.107 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.416 -5.935 -12.929 1.00 0.00 H new ATOM 1406 N LEU A 93 -2.771 -10.000 -12.985 1.00 0.00 N ATOM 1407 CA LEU A 93 -3.407 -11.291 -13.216 1.00 0.00 C ATOM 1408 C LEU A 93 -4.745 -11.369 -12.489 1.00 0.00 C ATOM 1409 O LEU A 93 -5.704 -11.956 -12.993 1.00 0.00 O ATOM 1410 CB LEU A 93 -2.494 -12.418 -12.727 1.00 0.00 C ATOM 1411 CG LEU A 93 -1.138 -12.322 -13.428 1.00 0.00 C ATOM 1412 CD1 LEU A 93 -0.244 -13.478 -12.973 1.00 0.00 C ATOM 1413 CD2 LEU A 93 -1.338 -12.404 -14.943 1.00 0.00 C ATOM 0 H LEU A 93 -1.873 -10.048 -12.503 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.581 -11.401 -14.286 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.362 -12.350 -11.647 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.953 -13.385 -12.931 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.666 -11.373 -13.173 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.722 -13.409 -13.473 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.099 -13.423 -11.894 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.718 -14.426 -13.228 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.371 -12.335 -15.442 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.811 -13.353 -15.197 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.975 -11.582 -15.271 1.00 0.00 H new ATOM 1425 N THR A 94 -4.804 -10.775 -11.301 1.00 0.00 N ATOM 1426 CA THR A 94 -6.032 -10.787 -10.514 1.00 0.00 C ATOM 1427 C THR A 94 -7.174 -10.136 -11.288 1.00 0.00 C ATOM 1428 O THR A 94 -8.298 -10.638 -11.295 1.00 0.00 O ATOM 1429 CB THR A 94 -5.814 -10.038 -9.197 1.00 0.00 C ATOM 1430 OG1 THR A 94 -4.698 -10.595 -8.518 1.00 0.00 O ATOM 1431 CG2 THR A 94 -7.062 -10.167 -8.322 1.00 0.00 C ATOM 0 H THR A 94 -4.023 -10.284 -10.865 1.00 0.00 H new ATOM 0 HA THR A 94 -6.296 -11.824 -10.305 1.00 0.00 H new ATOM 0 HB THR A 94 -5.626 -8.984 -9.404 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.872 -10.329 -8.974 1.00 0.00 H new ATOM 0 HG21 THR A 94 -6.906 -9.633 -7.384 1.00 0.00 H new ATOM 0 HG22 THR A 94 -7.918 -9.740 -8.844 1.00 0.00 H new ATOM 0 HG23 THR A 94 -7.253 -11.220 -8.113 1.00 0.00 H new ATOM 1439 N LEU A 95 -6.879 -9.015 -11.938 1.00 0.00 N ATOM 1440 CA LEU A 95 -7.890 -8.306 -12.712 1.00 0.00 C ATOM 1441 C LEU A 95 -8.364 -9.161 -13.883 1.00 0.00 C ATOM 1442 O LEU A 95 -9.542 -9.139 -14.242 1.00 0.00 O ATOM 1443 CB LEU A 95 -7.317 -6.985 -13.235 1.00 0.00 C ATOM 1444 CG LEU A 95 -6.815 -6.141 -12.061 1.00 0.00 C ATOM 1445 CD1 LEU A 95 -6.301 -4.798 -12.580 1.00 0.00 C ATOM 1446 CD2 LEU A 95 -7.963 -5.896 -11.077 1.00 0.00 C ATOM 0 H LEU A 95 -5.956 -8.581 -11.944 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.741 -8.098 -12.063 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.501 -7.181 -13.930 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.082 -6.439 -13.788 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.008 -6.671 -11.556 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.944 -4.197 -11.744 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.483 -4.967 -13.281 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.109 -4.270 -13.086 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.604 -5.295 -10.242 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.770 -5.367 -11.584 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.333 -6.851 -10.704 1.00 0.00 H new ATOM 1458 N GLN A 96 -7.441 -9.915 -14.473 1.00 0.00 N ATOM 1459 CA GLN A 96 -7.780 -10.775 -15.601 1.00 0.00 C ATOM 1460 C GLN A 96 -8.829 -11.802 -15.189 1.00 0.00 C ATOM 1461 O GLN A 96 -9.720 -12.142 -15.968 1.00 0.00 O ATOM 1462 CB GLN A 96 -6.527 -11.494 -16.103 1.00 0.00 C ATOM 1463 CG GLN A 96 -5.538 -10.469 -16.660 1.00 0.00 C ATOM 1464 CD GLN A 96 -4.259 -11.168 -17.108 1.00 0.00 C ATOM 1465 OE1 GLN A 96 -4.016 -12.317 -16.738 1.00 0.00 O ATOM 1466 NE2 GLN A 96 -3.422 -10.540 -17.887 1.00 0.00 N ATOM 0 H GLN A 96 -6.461 -9.948 -14.192 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.187 -10.156 -16.401 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -6.066 -12.055 -15.290 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.794 -12.215 -16.876 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.986 -9.939 -17.500 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.307 -9.723 -15.899 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -3.625 -9.588 -18.192 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -2.564 -11.001 -18.191 1.00 0.00 H new ATOM 1475 N GLU A 97 -8.719 -12.288 -13.957 1.00 0.00 N ATOM 1476 CA GLU A 97 -9.664 -13.273 -13.445 1.00 0.00 C ATOM 1477 C GLU A 97 -11.066 -12.676 -13.367 1.00 0.00 C ATOM 1478 O GLU A 97 -12.062 -13.383 -13.522 1.00 0.00 O ATOM 1479 CB GLU A 97 -9.228 -13.741 -12.056 1.00 0.00 C ATOM 1480 CG GLU A 97 -7.889 -14.474 -12.161 1.00 0.00 C ATOM 1481 CD GLU A 97 -7.483 -15.017 -10.795 1.00 0.00 C ATOM 1482 OE1 GLU A 97 -7.037 -14.231 -9.975 1.00 0.00 O ATOM 1483 OE2 GLU A 97 -7.624 -16.211 -10.588 1.00 0.00 O ATOM 0 H GLU A 97 -7.989 -12.018 -13.298 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.680 -14.124 -14.126 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -9.135 -12.887 -11.385 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -9.983 -14.401 -11.629 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.968 -15.291 -12.878 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.122 -13.796 -12.534 1.00 0.00 H new ATOM 1490 N LEU A 98 -11.132 -11.372 -13.123 1.00 0.00 N ATOM 1491 CA LEU A 98 -12.415 -10.686 -13.022 1.00 0.00 C ATOM 1492 C LEU A 98 -12.937 -10.318 -14.407 1.00 0.00 C ATOM 1493 O LEU A 98 -13.984 -9.682 -14.536 1.00 0.00 O ATOM 1494 CB LEU A 98 -12.264 -9.419 -12.177 1.00 0.00 C ATOM 1495 CG LEU A 98 -11.659 -9.776 -10.817 1.00 0.00 C ATOM 1496 CD1 LEU A 98 -11.592 -8.523 -9.942 1.00 0.00 C ATOM 1497 CD2 LEU A 98 -12.531 -10.828 -10.130 1.00 0.00 C ATOM 0 H LEU A 98 -10.318 -10.772 -12.992 1.00 0.00 H new ATOM 0 HA LEU A 98 -13.129 -11.358 -12.545 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.627 -8.700 -12.692 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -13.235 -8.943 -12.040 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.654 -10.173 -10.962 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -11.161 -8.778 -8.974 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.970 -7.772 -10.429 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.597 -8.125 -9.799 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -12.100 -11.082 -9.162 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -13.536 -10.431 -9.987 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -12.580 -11.722 -10.751 1.00 0.00 H new ATOM 1509 N ASN A 99 -12.203 -10.719 -15.440 1.00 0.00 N ATOM 1510 CA ASN A 99 -12.607 -10.423 -16.809 1.00 0.00 C ATOM 1511 C ASN A 99 -12.651 -8.917 -17.042 1.00 0.00 C ATOM 1512 O ASN A 99 -13.649 -8.382 -17.524 1.00 0.00 O ATOM 1513 CB ASN A 99 -13.984 -11.027 -17.090 1.00 0.00 C ATOM 1514 CG ASN A 99 -14.219 -11.109 -18.595 1.00 0.00 C ATOM 1515 OD1 ASN A 99 -13.354 -10.722 -19.381 1.00 0.00 O ATOM 1516 ND2 ASN A 99 -15.344 -11.595 -19.044 1.00 0.00 N ATOM 0 H ASN A 99 -11.333 -11.245 -15.357 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.874 -10.861 -17.486 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -14.051 -12.021 -16.648 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -14.759 -10.418 -16.625 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -15.509 -11.655 -20.049 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -16.059 -11.915 -18.390 1.00 0.00 H new ATOM 1523 N VAL A 100 -11.562 -8.239 -16.696 1.00 0.00 N ATOM 1524 CA VAL A 100 -11.484 -6.793 -16.869 1.00 0.00 C ATOM 1525 C VAL A 100 -10.685 -6.449 -18.123 1.00 0.00 C ATOM 1526 O VAL A 100 -9.656 -7.063 -18.402 1.00 0.00 O ATOM 1527 CB VAL A 100 -10.821 -6.155 -15.647 1.00 0.00 C ATOM 1528 CG1 VAL A 100 -10.821 -4.633 -15.799 1.00 0.00 C ATOM 1529 CG2 VAL A 100 -11.598 -6.539 -14.386 1.00 0.00 C ATOM 0 H VAL A 100 -10.726 -8.664 -16.296 1.00 0.00 H new ATOM 0 HA VAL A 100 -12.496 -6.402 -16.976 1.00 0.00 H new ATOM 0 HB VAL A 100 -9.794 -6.512 -15.566 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -10.348 -4.180 -14.927 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -10.267 -4.357 -16.696 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -11.847 -4.276 -15.882 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -11.126 -6.085 -13.515 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -12.625 -6.183 -14.469 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -11.598 -7.623 -14.274 1.00 0.00 H new ATOM 1539 N SER A 101 -11.171 -5.468 -18.877 1.00 0.00 N ATOM 1540 CA SER A 101 -10.498 -5.056 -20.104 1.00 0.00 C ATOM 1541 C SER A 101 -9.077 -4.589 -19.808 1.00 0.00 C ATOM 1542 O SER A 101 -8.816 -3.974 -18.774 1.00 0.00 O ATOM 1543 CB SER A 101 -11.280 -3.927 -20.775 1.00 0.00 C ATOM 1544 OG SER A 101 -10.668 -3.606 -22.017 1.00 0.00 O ATOM 0 H SER A 101 -12.021 -4.947 -18.663 1.00 0.00 H new ATOM 0 HA SER A 101 -10.452 -5.914 -20.775 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.315 -4.230 -20.934 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.301 -3.049 -20.129 1.00 0.00 H new ATOM 0 HG SER A 101 -11.168 -2.883 -22.451 1.00 0.00 H new ATOM 1550 N GLN A 102 -8.162 -4.890 -20.723 1.00 0.00 N ATOM 1551 CA GLN A 102 -6.765 -4.504 -20.557 1.00 0.00 C ATOM 1552 C GLN A 102 -6.633 -2.992 -20.402 1.00 0.00 C ATOM 1553 O GLN A 102 -5.782 -2.510 -19.653 1.00 0.00 O ATOM 1554 CB GLN A 102 -5.950 -4.967 -21.766 1.00 0.00 C ATOM 1555 CG GLN A 102 -4.458 -4.779 -21.481 1.00 0.00 C ATOM 1556 CD GLN A 102 -3.954 -5.891 -20.567 1.00 0.00 C ATOM 1557 OE1 GLN A 102 -4.810 -6.698 -20.001 1.00 0.00 O flip ATOM 1558 NE2 GLN A 102 -2.748 -6.032 -20.368 1.00 0.00 N flip ATOM 0 H GLN A 102 -8.361 -5.398 -21.585 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.384 -4.981 -19.654 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -6.161 -6.015 -21.980 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -6.236 -4.398 -22.650 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.898 -4.785 -22.416 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -4.289 -3.809 -21.014 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -2.081 -5.401 -20.811 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -2.416 -6.780 -19.760 1.00 0.00 H new ATOM 1567 N ASP A 103 -7.471 -2.248 -21.117 1.00 0.00 N ATOM 1568 CA ASP A 103 -7.423 -0.792 -21.051 1.00 0.00 C ATOM 1569 C ASP A 103 -7.566 -0.314 -19.610 1.00 0.00 C ATOM 1570 O ASP A 103 -6.856 0.593 -19.173 1.00 0.00 O ATOM 1571 CB ASP A 103 -8.546 -0.195 -21.900 1.00 0.00 C ATOM 1572 CG ASP A 103 -8.293 -0.481 -23.376 1.00 0.00 C ATOM 1573 OD1 ASP A 103 -7.196 -0.905 -23.698 1.00 0.00 O ATOM 1574 OD2 ASP A 103 -9.202 -0.272 -24.163 1.00 0.00 O ATOM 0 H ASP A 103 -8.184 -2.624 -21.742 1.00 0.00 H new ATOM 0 HA ASP A 103 -6.458 -0.462 -21.437 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.505 -0.617 -21.599 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.605 0.881 -21.735 1.00 0.00 H new ATOM 1579 N LEU A 104 -8.482 -0.932 -18.872 1.00 0.00 N ATOM 1580 CA LEU A 104 -8.699 -0.560 -17.479 1.00 0.00 C ATOM 1581 C LEU A 104 -7.477 -0.914 -16.637 1.00 0.00 C ATOM 1582 O LEU A 104 -7.103 -0.176 -15.725 1.00 0.00 O ATOM 1583 CB LEU A 104 -9.930 -1.284 -16.929 1.00 0.00 C ATOM 1584 CG LEU A 104 -11.159 -0.920 -17.766 1.00 0.00 C ATOM 1585 CD1 LEU A 104 -12.390 -1.631 -17.202 1.00 0.00 C ATOM 1586 CD2 LEU A 104 -11.382 0.593 -17.716 1.00 0.00 C ATOM 0 H LEU A 104 -9.081 -1.685 -19.211 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.862 0.517 -17.430 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.770 -2.362 -16.950 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -10.092 -1.006 -15.887 1.00 0.00 H new ATOM 0 HG LEU A 104 -10.998 -1.231 -18.798 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.265 -1.372 -17.798 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -12.235 -2.709 -17.236 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.549 -1.319 -16.170 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -12.257 0.852 -18.312 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.542 0.903 -16.683 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.506 1.103 -18.117 1.00 0.00 H new ATOM 1598 N ILE A 105 -6.859 -2.048 -16.953 1.00 0.00 N ATOM 1599 CA ILE A 105 -5.678 -2.491 -16.221 1.00 0.00 C ATOM 1600 C ILE A 105 -4.537 -1.494 -16.387 1.00 0.00 C ATOM 1601 O ILE A 105 -3.787 -1.231 -15.445 1.00 0.00 O ATOM 1602 CB ILE A 105 -5.235 -3.865 -16.728 1.00 0.00 C ATOM 1603 CG1 ILE A 105 -6.372 -4.871 -16.533 1.00 0.00 C ATOM 1604 CG2 ILE A 105 -4.006 -4.326 -15.941 1.00 0.00 C ATOM 1605 CD1 ILE A 105 -5.987 -6.209 -17.166 1.00 0.00 C ATOM 0 H ILE A 105 -7.153 -2.672 -17.704 1.00 0.00 H new ATOM 0 HA ILE A 105 -5.934 -2.558 -15.164 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.985 -3.799 -17.787 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.575 -5.005 -15.470 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.288 -4.493 -16.987 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.689 -5.305 -16.301 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.196 -3.609 -16.078 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.256 -4.393 -14.882 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.798 -6.924 -17.026 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.806 -6.069 -18.232 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.082 -6.589 -16.692 1.00 0.00 H new ATOM 1617 N ASP A 106 -4.407 -0.944 -17.590 1.00 0.00 N ATOM 1618 CA ASP A 106 -3.350 0.021 -17.868 1.00 0.00 C ATOM 1619 C ASP A 106 -3.449 1.214 -16.924 1.00 0.00 C ATOM 1620 O ASP A 106 -2.434 1.730 -16.454 1.00 0.00 O ATOM 1621 CB ASP A 106 -3.455 0.504 -19.316 1.00 0.00 C ATOM 1622 CG ASP A 106 -3.138 -0.642 -20.272 1.00 0.00 C ATOM 1623 OD1 ASP A 106 -2.638 -1.653 -19.808 1.00 0.00 O ATOM 1624 OD2 ASP A 106 -3.401 -0.490 -21.454 1.00 0.00 O ATOM 0 H ASP A 106 -5.016 -1.148 -18.383 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.388 -0.468 -17.715 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.458 0.883 -19.510 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -2.764 1.330 -19.484 1.00 0.00 H new ATOM 1629 N GLU A 107 -4.674 1.648 -16.650 1.00 0.00 N ATOM 1630 CA GLU A 107 -4.887 2.782 -15.758 1.00 0.00 C ATOM 1631 C GLU A 107 -4.397 2.455 -14.351 1.00 0.00 C ATOM 1632 O GLU A 107 -3.860 3.317 -13.654 1.00 0.00 O ATOM 1633 CB GLU A 107 -6.376 3.138 -15.712 1.00 0.00 C ATOM 1634 CG GLU A 107 -6.833 3.619 -17.090 1.00 0.00 C ATOM 1635 CD GLU A 107 -6.089 4.894 -17.474 1.00 0.00 C ATOM 1636 OE1 GLU A 107 -5.545 5.529 -16.587 1.00 0.00 O ATOM 1637 OE2 GLU A 107 -6.079 5.219 -18.650 1.00 0.00 O ATOM 0 H GLU A 107 -5.527 1.237 -17.028 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.322 3.632 -16.140 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -6.959 2.268 -15.408 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -6.551 3.915 -14.968 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -6.649 2.844 -17.834 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.907 3.804 -17.081 1.00 0.00 H new ATOM 1644 N VAL A 108 -4.582 1.204 -13.943 1.00 0.00 N ATOM 1645 CA VAL A 108 -4.154 0.771 -12.617 1.00 0.00 C ATOM 1646 C VAL A 108 -2.636 0.844 -12.492 1.00 0.00 C ATOM 1647 O VAL A 108 -2.106 1.235 -11.452 1.00 0.00 O ATOM 1648 CB VAL A 108 -4.619 -0.664 -12.363 1.00 0.00 C ATOM 1649 CG1 VAL A 108 -4.025 -1.167 -11.045 1.00 0.00 C ATOM 1650 CG2 VAL A 108 -6.146 -0.695 -12.276 1.00 0.00 C ATOM 0 H VAL A 108 -5.022 0.476 -14.506 1.00 0.00 H new ATOM 0 HA VAL A 108 -4.600 1.436 -11.877 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.286 -1.304 -13.180 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.356 -2.190 -10.863 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.937 -1.143 -11.104 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.359 -0.527 -10.228 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -6.479 -1.717 -12.095 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.477 -0.055 -11.458 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.571 -0.335 -13.213 1.00 0.00 H new ATOM 1660 N VAL A 109 -1.941 0.461 -13.559 1.00 0.00 N ATOM 1661 CA VAL A 109 -0.482 0.482 -13.556 1.00 0.00 C ATOM 1662 C VAL A 109 0.039 1.898 -13.332 1.00 0.00 C ATOM 1663 O VAL A 109 1.006 2.104 -12.598 1.00 0.00 O ATOM 1664 CB VAL A 109 0.047 -0.052 -14.888 1.00 0.00 C ATOM 1665 CG1 VAL A 109 1.562 0.148 -14.954 1.00 0.00 C ATOM 1666 CG2 VAL A 109 -0.274 -1.544 -15.002 1.00 0.00 C ATOM 0 H VAL A 109 -2.360 0.135 -14.430 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.131 -0.152 -12.741 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.427 0.487 -15.708 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.938 -0.233 -15.903 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.793 1.210 -14.872 1.00 0.00 H new ATOM 0 HG13 VAL A 109 2.036 -0.391 -14.134 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.103 -1.926 -15.951 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.200 -2.082 -14.181 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.353 -1.689 -14.955 1.00 0.00 H new ATOM 1676 N THR A 110 -0.603 2.869 -13.971 1.00 0.00 N ATOM 1677 CA THR A 110 -0.191 4.262 -13.836 1.00 0.00 C ATOM 1678 C THR A 110 -0.279 4.718 -12.383 1.00 0.00 C ATOM 1679 O THR A 110 0.599 5.426 -11.891 1.00 0.00 O ATOM 1680 CB THR A 110 -1.077 5.155 -14.707 1.00 0.00 C ATOM 1681 OG1 THR A 110 -1.051 4.681 -16.046 1.00 0.00 O ATOM 1682 CG2 THR A 110 -0.554 6.593 -14.662 1.00 0.00 C ATOM 0 H THR A 110 -1.405 2.720 -14.583 1.00 0.00 H new ATOM 0 HA THR A 110 0.845 4.343 -14.164 1.00 0.00 H new ATOM 0 HB THR A 110 -2.100 5.131 -14.332 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.619 5.250 -16.606 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.185 7.229 -15.282 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.573 6.955 -13.634 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.469 6.620 -15.037 1.00 0.00 H new ATOM 1690 N ILE A 111 -1.347 4.315 -11.700 1.00 0.00 N ATOM 1691 CA ILE A 111 -1.537 4.699 -10.305 1.00 0.00 C ATOM 1692 C ILE A 111 -0.368 4.221 -9.448 1.00 0.00 C ATOM 1693 O ILE A 111 0.218 4.997 -8.694 1.00 0.00 O ATOM 1694 CB ILE A 111 -2.839 4.100 -9.772 1.00 0.00 C ATOM 1695 CG1 ILE A 111 -4.017 4.627 -10.595 1.00 0.00 C ATOM 1696 CG2 ILE A 111 -3.023 4.501 -8.307 1.00 0.00 C ATOM 1697 CD1 ILE A 111 -5.301 3.916 -10.165 1.00 0.00 C ATOM 0 H ILE A 111 -2.087 3.728 -12.085 1.00 0.00 H new ATOM 0 HA ILE A 111 -1.587 5.787 -10.253 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.797 3.014 -9.850 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -4.120 5.703 -10.454 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -3.835 4.461 -11.657 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -3.951 4.074 -7.927 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.184 4.128 -7.719 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.065 5.587 -8.230 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -6.139 4.292 -10.752 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -5.195 2.844 -10.329 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -5.485 4.105 -9.107 1.00 0.00 H new ATOM 1709 N VAL A 112 -0.033 2.941 -9.572 1.00 0.00 N ATOM 1710 CA VAL A 112 1.069 2.371 -8.805 1.00 0.00 C ATOM 1711 C VAL A 112 2.403 2.681 -9.475 1.00 0.00 C ATOM 1712 O VAL A 112 3.459 2.601 -8.849 1.00 0.00 O ATOM 1713 CB VAL A 112 0.896 0.856 -8.683 1.00 0.00 C ATOM 1714 CG1 VAL A 112 -0.468 0.541 -8.065 1.00 0.00 C ATOM 1715 CG2 VAL A 112 0.985 0.221 -10.071 1.00 0.00 C ATOM 0 H VAL A 112 -0.505 2.283 -10.192 1.00 0.00 H new ATOM 0 HA VAL A 112 1.062 2.816 -7.810 1.00 0.00 H new ATOM 0 HB VAL A 112 1.683 0.453 -8.045 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.588 -0.539 -7.980 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -0.532 0.993 -7.075 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -1.257 0.945 -8.700 1.00 0.00 H new ATOM 0 HG21 VAL A 112 0.862 -0.859 -9.986 1.00 0.00 H new ATOM 0 HG22 VAL A 112 0.199 0.627 -10.708 1.00 0.00 H new ATOM 0 HG23 VAL A 112 1.958 0.442 -10.510 1.00 0.00 H new ATOM 1725 N GLY A 113 2.344 3.027 -10.757 1.00 0.00 N ATOM 1726 CA GLY A 113 3.550 3.342 -11.511 1.00 0.00 C ATOM 1727 C GLY A 113 4.194 4.631 -11.012 1.00 0.00 C ATOM 1728 O GLY A 113 5.061 5.198 -11.675 1.00 0.00 O ATOM 0 H GLY A 113 1.478 3.096 -11.292 1.00 0.00 H new ATOM 0 HA2 GLY A 113 4.261 2.520 -11.424 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.305 3.441 -12.568 1.00 0.00 H new ATOM 1732 N SER A 114 3.765 5.092 -9.841 1.00 0.00 N ATOM 1733 CA SER A 114 4.314 6.319 -9.274 1.00 0.00 C ATOM 1734 C SER A 114 5.822 6.189 -9.087 1.00 0.00 C ATOM 1735 O SER A 114 6.303 5.222 -8.496 1.00 0.00 O ATOM 1736 CB SER A 114 3.654 6.612 -7.926 1.00 0.00 C ATOM 1737 OG SER A 114 2.256 6.786 -8.115 1.00 0.00 O ATOM 0 H SER A 114 3.048 4.641 -9.272 1.00 0.00 H new ATOM 0 HA SER A 114 4.112 7.140 -9.962 1.00 0.00 H new ATOM 0 HB2 SER A 114 3.839 5.793 -7.232 1.00 0.00 H new ATOM 0 HB3 SER A 114 4.087 7.509 -7.483 1.00 0.00 H new ATOM 0 HG SER A 114 1.844 5.922 -8.325 1.00 0.00 H new ATOM 1743 N VAL A 115 6.561 7.168 -9.597 1.00 0.00 N ATOM 1744 CA VAL A 115 8.015 7.156 -9.484 1.00 0.00 C ATOM 1745 C VAL A 115 8.454 7.388 -8.041 1.00 0.00 C ATOM 1746 O VAL A 115 9.387 6.747 -7.556 1.00 0.00 O ATOM 1747 CB VAL A 115 8.616 8.238 -10.380 1.00 0.00 C ATOM 1748 CG1 VAL A 115 10.125 8.316 -10.143 1.00 0.00 C ATOM 1749 CG2 VAL A 115 8.347 7.892 -11.846 1.00 0.00 C ATOM 0 H VAL A 115 6.180 7.976 -10.090 1.00 0.00 H new ATOM 0 HA VAL A 115 8.371 6.176 -9.802 1.00 0.00 H new ATOM 0 HB VAL A 115 8.161 9.200 -10.144 1.00 0.00 H new ATOM 0 HG11 VAL A 115 10.554 9.088 -10.782 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.317 8.561 -9.099 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.581 7.354 -10.379 1.00 0.00 H new ATOM 0 HG21 VAL A 115 8.775 8.663 -12.486 1.00 0.00 H new ATOM 0 HG22 VAL A 115 8.802 6.930 -12.082 1.00 0.00 H new ATOM 0 HG23 VAL A 115 7.272 7.836 -12.015 1.00 0.00 H new ATOM 1759 N GLN A 116 7.787 8.317 -7.365 1.00 0.00 N ATOM 1760 CA GLN A 116 8.128 8.635 -5.983 1.00 0.00 C ATOM 1761 C GLN A 116 8.019 7.401 -5.093 1.00 0.00 C ATOM 1762 O GLN A 116 8.876 7.164 -4.240 1.00 0.00 O ATOM 1763 CB GLN A 116 7.196 9.728 -5.456 1.00 0.00 C ATOM 1764 CG GLN A 116 7.713 10.237 -4.109 1.00 0.00 C ATOM 1765 CD GLN A 116 6.710 11.209 -3.499 1.00 0.00 C ATOM 1766 OE1 GLN A 116 5.572 10.833 -3.216 1.00 0.00 O ATOM 1767 NE2 GLN A 116 7.065 12.446 -3.279 1.00 0.00 N ATOM 0 H GLN A 116 7.013 8.860 -7.748 1.00 0.00 H new ATOM 0 HA GLN A 116 9.159 8.988 -5.961 1.00 0.00 H new ATOM 0 HB2 GLN A 116 7.142 10.550 -6.170 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.185 9.336 -5.344 1.00 0.00 H new ATOM 0 HG2 GLN A 116 7.877 9.398 -3.432 1.00 0.00 H new ATOM 0 HG3 GLN A 116 8.675 10.731 -4.243 1.00 0.00 H new ATOM 0 HE21 GLN A 116 8.008 12.755 -3.514 1.00 0.00 H new ATOM 0 HE22 GLN A 116 6.399 13.103 -2.872 1.00 0.00 H new ATOM 1776 N HIS A 117 6.964 6.617 -5.291 1.00 0.00 N ATOM 1777 CA HIS A 117 6.764 5.412 -4.492 1.00 0.00 C ATOM 1778 C HIS A 117 7.893 4.417 -4.737 1.00 0.00 C ATOM 1779 O HIS A 117 8.447 3.848 -3.797 1.00 0.00 O ATOM 1780 CB HIS A 117 5.420 4.770 -4.840 1.00 0.00 C ATOM 1781 CG HIS A 117 5.093 3.703 -3.828 1.00 0.00 C ATOM 1782 ND1 HIS A 117 5.429 3.828 -2.489 1.00 0.00 N ATOM 1783 CD2 HIS A 117 4.438 2.502 -3.939 1.00 0.00 C ATOM 1784 CE1 HIS A 117 4.977 2.731 -1.851 1.00 0.00 C ATOM 1785 NE2 HIS A 117 4.363 1.886 -2.691 1.00 0.00 N ATOM 0 H HIS A 117 6.241 6.791 -5.990 1.00 0.00 H new ATOM 0 HA HIS A 117 6.765 5.690 -3.438 1.00 0.00 H new ATOM 0 HB2 HIS A 117 4.636 5.527 -4.852 1.00 0.00 H new ATOM 0 HB3 HIS A 117 5.460 4.337 -5.840 1.00 0.00 H new ATOM 0 HD2 HIS A 117 4.040 2.095 -4.857 1.00 0.00 H new ATOM 0 HE1 HIS A 117 5.095 2.554 -0.792 1.00 0.00 H new ATOM 0 HE2 HIS A 117 3.934 0.988 -2.466 1.00 0.00 H new ATOM 1793 N ARG A 118 8.231 4.213 -6.007 1.00 0.00 N ATOM 1794 CA ARG A 118 9.301 3.286 -6.360 1.00 0.00 C ATOM 1795 C ARG A 118 10.617 3.717 -5.722 1.00 0.00 C ATOM 1796 O ARG A 118 11.380 2.888 -5.226 1.00 0.00 O ATOM 1797 CB ARG A 118 9.462 3.232 -7.881 1.00 0.00 C ATOM 1798 CG ARG A 118 10.510 2.180 -8.249 1.00 0.00 C ATOM 1799 CD ARG A 118 10.724 2.181 -9.764 1.00 0.00 C ATOM 1800 NE ARG A 118 11.639 1.112 -10.149 1.00 0.00 N ATOM 1801 CZ ARG A 118 11.802 0.772 -11.424 1.00 0.00 C ATOM 1802 NH1 ARG A 118 11.134 1.396 -12.355 1.00 0.00 N ATOM 1803 NH2 ARG A 118 12.630 -0.185 -11.744 1.00 0.00 N ATOM 0 H ARG A 118 7.785 4.672 -6.801 1.00 0.00 H new ATOM 0 HA ARG A 118 9.038 2.297 -5.986 1.00 0.00 H new ATOM 0 HB2 ARG A 118 8.508 2.989 -8.349 1.00 0.00 H new ATOM 0 HB3 ARG A 118 9.764 4.209 -8.260 1.00 0.00 H new ATOM 0 HG2 ARG A 118 11.449 2.393 -7.738 1.00 0.00 H new ATOM 0 HG3 ARG A 118 10.183 1.194 -7.918 1.00 0.00 H new ATOM 0 HD2 ARG A 118 9.769 2.051 -10.273 1.00 0.00 H new ATOM 0 HD3 ARG A 118 11.126 3.144 -10.080 1.00 0.00 H new ATOM 0 HE ARG A 118 12.163 0.617 -9.427 1.00 0.00 H new ATOM 0 HH11 ARG A 118 10.487 2.144 -12.104 1.00 0.00 H new ATOM 0 HH12 ARG A 118 11.258 1.136 -13.333 1.00 0.00 H new ATOM 0 HH21 ARG A 118 13.152 -0.672 -11.016 1.00 0.00 H new ATOM 0 HH22 ARG A 118 12.755 -0.446 -12.722 1.00 0.00 H new ATOM 1817 N ASN A 119 10.876 5.021 -5.740 1.00 0.00 N ATOM 1818 CA ASN A 119 12.103 5.556 -5.161 1.00 0.00 C ATOM 1819 C ASN A 119 12.190 5.229 -3.673 1.00 0.00 C ATOM 1820 O ASN A 119 13.270 4.958 -3.150 1.00 0.00 O ATOM 1821 CB ASN A 119 12.153 7.072 -5.356 1.00 0.00 C ATOM 1822 CG ASN A 119 12.236 7.403 -6.842 1.00 0.00 C ATOM 1823 OD1 ASN A 119 12.566 6.540 -7.655 1.00 0.00 O ATOM 1824 ND2 ASN A 119 11.955 8.612 -7.249 1.00 0.00 N ATOM 0 H ASN A 119 10.257 5.722 -6.146 1.00 0.00 H new ATOM 0 HA ASN A 119 12.950 5.094 -5.669 1.00 0.00 H new ATOM 0 HB2 ASN A 119 11.266 7.533 -4.921 1.00 0.00 H new ATOM 0 HB3 ASN A 119 13.016 7.486 -4.834 1.00 0.00 H new ATOM 0 HD21 ASN A 119 12.009 8.841 -8.241 1.00 0.00 H new ATOM 0 HD22 ASN A 119 11.682 9.327 -6.574 1.00 0.00 H new ATOM 1831 N ASP A 120 11.046 5.261 -2.996 1.00 0.00 N ATOM 1832 CA ASP A 120 11.009 4.971 -1.567 1.00 0.00 C ATOM 1833 C ASP A 120 11.547 3.572 -1.287 1.00 0.00 C ATOM 1834 O ASP A 120 12.233 3.350 -0.290 1.00 0.00 O ATOM 1835 CB ASP A 120 9.576 5.084 -1.044 1.00 0.00 C ATOM 1836 CG ASP A 120 9.105 6.533 -1.123 1.00 0.00 C ATOM 1837 OD1 ASP A 120 9.941 7.396 -1.335 1.00 0.00 O ATOM 1838 OD2 ASP A 120 7.916 6.757 -0.968 1.00 0.00 O ATOM 0 H ASP A 120 10.140 5.483 -3.409 1.00 0.00 H new ATOM 0 HA ASP A 120 11.639 5.698 -1.055 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.915 4.446 -1.630 1.00 0.00 H new ATOM 0 HB3 ASP A 120 9.527 4.733 -0.013 1.00 0.00 H new ATOM 1843 N VAL A 121 11.230 2.631 -2.169 1.00 0.00 N ATOM 1844 CA VAL A 121 11.690 1.257 -2.000 1.00 0.00 C ATOM 1845 C VAL A 121 13.213 1.193 -2.022 1.00 0.00 C ATOM 1846 O VAL A 121 13.827 0.482 -1.227 1.00 0.00 O ATOM 1847 CB VAL A 121 11.122 0.376 -3.115 1.00 0.00 C ATOM 1848 CG1 VAL A 121 11.749 -1.017 -3.038 1.00 0.00 C ATOM 1849 CG2 VAL A 121 9.605 0.259 -2.946 1.00 0.00 C ATOM 0 H VAL A 121 10.662 2.791 -3.001 1.00 0.00 H new ATOM 0 HA VAL A 121 11.339 0.893 -1.035 1.00 0.00 H new ATOM 0 HB VAL A 121 11.350 0.824 -4.082 1.00 0.00 H new ATOM 0 HG11 VAL A 121 11.343 -1.643 -3.833 1.00 0.00 H new ATOM 0 HG12 VAL A 121 12.830 -0.937 -3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 121 11.521 -1.465 -2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.198 -0.368 -3.739 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.380 -0.189 -1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 121 9.155 1.250 -3.000 1.00 0.00 H new ATOM 1859 N LEU A 122 13.819 1.941 -2.939 1.00 0.00 N ATOM 1860 CA LEU A 122 15.273 1.962 -3.058 1.00 0.00 C ATOM 1861 C LEU A 122 15.884 2.940 -2.058 1.00 0.00 C ATOM 1862 O LEU A 122 17.099 2.961 -1.861 1.00 0.00 O ATOM 1863 CB LEU A 122 15.674 2.363 -4.480 1.00 0.00 C ATOM 1864 CG LEU A 122 15.011 1.420 -5.486 1.00 0.00 C ATOM 1865 CD1 LEU A 122 15.471 1.777 -6.900 1.00 0.00 C ATOM 1866 CD2 LEU A 122 15.410 -0.025 -5.173 1.00 0.00 C ATOM 0 H LEU A 122 13.330 2.537 -3.607 1.00 0.00 H new ATOM 0 HA LEU A 122 15.649 0.962 -2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 122 15.372 3.392 -4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 122 16.758 2.322 -4.588 1.00 0.00 H new ATOM 0 HG LEU A 122 13.928 1.522 -5.418 1.00 0.00 H new ATOM 0 HD11 LEU A 122 14.999 1.105 -7.617 1.00 0.00 H new ATOM 0 HD12 LEU A 122 15.188 2.805 -7.126 1.00 0.00 H new ATOM 0 HD13 LEU A 122 16.554 1.675 -6.967 1.00 0.00 H new ATOM 0 HD21 LEU A 122 14.937 -0.696 -5.890 1.00 0.00 H new ATOM 0 HD22 LEU A 122 16.493 -0.126 -5.241 1.00 0.00 H new ATOM 0 HD23 LEU A 122 15.084 -0.282 -4.165 1.00 0.00 H new ATOM 1878 N ASN A 123 15.035 3.749 -1.432 1.00 0.00 N ATOM 1879 CA ASN A 123 15.503 4.728 -0.456 1.00 0.00 C ATOM 1880 C ASN A 123 16.512 5.683 -1.087 1.00 0.00 C ATOM 1881 O ASN A 123 17.539 6.001 -0.487 1.00 0.00 O ATOM 1882 CB ASN A 123 16.145 4.017 0.739 1.00 0.00 C ATOM 1883 CG ASN A 123 15.096 3.197 1.482 1.00 0.00 C ATOM 1884 OD1 ASN A 123 13.897 3.407 1.297 1.00 0.00 O ATOM 1885 ND2 ASN A 123 15.476 2.271 2.320 1.00 0.00 N ATOM 0 H ASN A 123 14.026 3.747 -1.581 1.00 0.00 H new ATOM 0 HA ASN A 123 14.643 5.304 -0.114 1.00 0.00 H new ATOM 0 HB2 ASN A 123 16.951 3.368 0.397 1.00 0.00 H new ATOM 0 HB3 ASN A 123 16.590 4.749 1.412 1.00 0.00 H new ATOM 0 HD21 ASN A 123 14.779 1.721 2.822 1.00 0.00 H new ATOM 0 HD22 ASN A 123 16.470 2.098 2.473 1.00 0.00 H new ATOM 1892 N ARG A 124 16.207 6.145 -2.295 1.00 0.00 N ATOM 1893 CA ARG A 124 17.089 7.071 -2.996 1.00 0.00 C ATOM 1894 C ARG A 124 16.297 8.255 -3.543 1.00 0.00 C ATOM 1895 O ARG A 124 15.096 8.113 -3.707 1.00 0.00 O ATOM 1896 CB ARG A 124 17.800 6.357 -4.149 1.00 0.00 C ATOM 1897 CG ARG A 124 18.821 5.364 -3.588 1.00 0.00 C ATOM 1898 CD ARG A 124 19.623 4.757 -4.742 1.00 0.00 C ATOM 1899 NE ARG A 124 20.574 3.771 -4.238 1.00 0.00 N ATOM 1900 CZ ARG A 124 20.161 2.625 -3.707 1.00 0.00 C ATOM 1901 NH1 ARG A 124 18.886 2.368 -3.618 1.00 0.00 N ATOM 1902 NH2 ARG A 124 21.033 1.757 -3.273 1.00 0.00 N ATOM 1903 OXT ARG A 124 16.902 9.285 -3.786 1.00 0.00 O ATOM 0 H ARG A 124 15.361 5.895 -2.807 1.00 0.00 H new ATOM 0 HA ARG A 124 17.831 7.437 -2.286 1.00 0.00 H new ATOM 0 HB2 ARG A 124 17.073 5.834 -4.770 1.00 0.00 H new ATOM 0 HB3 ARG A 124 18.299 7.085 -4.788 1.00 0.00 H new ATOM 0 HG2 ARG A 124 19.490 5.868 -2.890 1.00 0.00 H new ATOM 0 HG3 ARG A 124 18.312 4.578 -3.030 1.00 0.00 H new ATOM 0 HD2 ARG A 124 18.946 4.287 -5.456 1.00 0.00 H new ATOM 0 HD3 ARG A 124 20.155 5.544 -5.277 1.00 0.00 H new ATOM 0 HE ARG A 124 21.574 3.965 -4.294 1.00 0.00 H new ATOM 0 HH11 ARG A 124 18.204 3.047 -3.956 1.00 0.00 H new ATOM 0 HH12 ARG A 124 18.570 1.488 -3.210 1.00 0.00 H new ATOM 0 HH21 ARG A 124 22.031 1.958 -3.341 1.00 0.00 H new ATOM 0 HH22 ARG A 124 20.717 0.877 -2.865 1.00 0.00 H new