USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 406 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 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 41 LYS NZ :NH3+ 166:sc= -0.103 (180deg=-0.416) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -173:sc= -0.0189 (180deg=-0.0998) USER MOD Single : A 46 SER OG : rot -31:sc= 0.853! USER MOD Single : A 50 ASN : amide:sc= -3.36! C(o=-3.4!,f=-6.7!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0841 USER MOD Single : A 57 ASN : amide:sc= -1.64 X(o=-1.6,f=-1.6) USER MOD Single : A 60 CYS SG : rot 45:sc= -0.466 USER MOD Single : A 69 GLN : amide:sc= -0.413 X(o=-0.41,f=-0.12) USER MOD Single : A 70 SER OG : rot 71:sc= -0.673 USER MOD Single : A 71 GLN : amide:sc= -0.718 K(o=-0.72,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 229 N VAL A 22 8.932 7.230 5.546 1.00 0.00 N ATOM 230 CA VAL A 22 7.529 6.844 5.864 1.00 0.00 C ATOM 231 C VAL A 22 6.805 6.457 4.569 1.00 0.00 C ATOM 232 O VAL A 22 7.369 6.510 3.495 1.00 0.00 O ATOM 233 CB VAL A 22 6.818 8.029 6.532 1.00 0.00 C ATOM 234 CG1 VAL A 22 6.419 9.061 5.474 1.00 0.00 C ATOM 235 CG2 VAL A 22 5.564 7.532 7.257 1.00 0.00 C ATOM 0 HA VAL A 22 7.522 5.993 6.545 1.00 0.00 H new ATOM 0 HB VAL A 22 7.495 8.493 7.249 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.915 9.899 5.955 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.311 9.420 4.961 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.746 8.600 4.751 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.060 8.374 7.731 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.891 7.063 6.539 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.848 6.804 8.017 1.00 0.00 H new ATOM 245 N VAL A 23 5.560 6.077 4.659 1.00 0.00 N ATOM 246 CA VAL A 23 4.808 5.698 3.433 1.00 0.00 C ATOM 247 C VAL A 23 4.320 6.968 2.745 1.00 0.00 C ATOM 248 O VAL A 23 3.620 7.771 3.329 1.00 0.00 O ATOM 249 CB VAL A 23 3.608 4.828 3.816 1.00 0.00 C ATOM 250 CG1 VAL A 23 2.774 5.548 4.876 1.00 0.00 C ATOM 251 CG2 VAL A 23 2.747 4.577 2.576 1.00 0.00 C ATOM 0 H VAL A 23 5.032 6.013 5.529 1.00 0.00 H new ATOM 0 HA VAL A 23 5.455 5.136 2.759 1.00 0.00 H new ATOM 0 HB VAL A 23 3.960 3.877 4.215 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.919 4.929 5.149 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.387 5.730 5.759 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.420 6.499 4.477 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.892 3.958 2.846 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.395 5.529 2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.341 4.065 1.818 1.00 0.00 H new ATOM 261 N GLU A 24 4.690 7.168 1.512 1.00 0.00 N ATOM 262 CA GLU A 24 4.249 8.399 0.806 1.00 0.00 C ATOM 263 C GLU A 24 2.934 8.133 0.072 1.00 0.00 C ATOM 264 O GLU A 24 2.142 9.029 -0.141 1.00 0.00 O ATOM 265 CB GLU A 24 5.321 8.821 -0.200 1.00 0.00 C ATOM 266 CG GLU A 24 4.875 10.098 -0.917 1.00 0.00 C ATOM 267 CD GLU A 24 5.774 11.262 -0.496 1.00 0.00 C ATOM 268 OE1 GLU A 24 6.882 11.342 -1.002 1.00 0.00 O ATOM 269 OE2 GLU A 24 5.339 12.053 0.325 1.00 0.00 O ATOM 0 H GLU A 24 5.275 6.536 0.966 1.00 0.00 H new ATOM 0 HA GLU A 24 4.098 9.197 1.533 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.268 8.991 0.312 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.489 8.024 -0.925 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.926 9.958 -1.997 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.836 10.321 -0.673 1.00 0.00 H new ATOM 276 N LYS A 25 2.692 6.912 -0.319 1.00 0.00 N ATOM 277 CA LYS A 25 1.425 6.602 -1.038 1.00 0.00 C ATOM 278 C LYS A 25 1.381 5.113 -1.381 1.00 0.00 C ATOM 279 O LYS A 25 2.401 4.469 -1.525 1.00 0.00 O ATOM 280 CB LYS A 25 1.358 7.425 -2.327 1.00 0.00 C ATOM 281 CG LYS A 25 0.226 8.449 -2.222 1.00 0.00 C ATOM 282 CD LYS A 25 0.773 9.848 -2.513 1.00 0.00 C ATOM 283 CE LYS A 25 1.087 9.975 -4.004 1.00 0.00 C ATOM 284 NZ LYS A 25 1.885 11.210 -4.241 1.00 0.00 N ATOM 0 H LYS A 25 3.315 6.118 -0.172 1.00 0.00 H new ATOM 0 HA LYS A 25 0.576 6.851 -0.401 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.307 7.933 -2.496 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.191 6.769 -3.181 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.567 8.203 -2.928 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.214 8.419 -1.225 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.044 10.603 -2.219 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.673 10.027 -1.925 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.641 9.100 -4.345 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.162 10.011 -4.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.098 11.296 -5.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.341 12.040 -3.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.774 11.158 -3.703 1.00 0.00 H new ATOM 298 N VAL A 26 0.207 4.559 -1.514 1.00 0.00 N ATOM 299 CA VAL A 26 0.102 3.113 -1.848 1.00 0.00 C ATOM 300 C VAL A 26 0.021 2.946 -3.366 1.00 0.00 C ATOM 301 O VAL A 26 -0.592 3.735 -4.056 1.00 0.00 O ATOM 302 CB VAL A 26 -1.155 2.530 -1.201 1.00 0.00 C ATOM 303 CG1 VAL A 26 -1.220 1.029 -1.477 1.00 0.00 C ATOM 304 CG2 VAL A 26 -1.106 2.764 0.310 1.00 0.00 C ATOM 0 H VAL A 26 -0.683 5.046 -1.406 1.00 0.00 H new ATOM 0 HA VAL A 26 0.980 2.588 -1.472 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.036 3.017 -1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.116 0.613 -1.016 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.253 0.858 -2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.338 0.544 -1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.002 2.349 0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.224 2.276 0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.057 3.834 0.511 1.00 0.00 H new ATOM 314 N LEU A 27 0.639 1.923 -3.891 1.00 0.00 N ATOM 315 CA LEU A 27 0.601 1.705 -5.363 1.00 0.00 C ATOM 316 C LEU A 27 -0.078 0.367 -5.664 1.00 0.00 C ATOM 317 O LEU A 27 -0.798 0.230 -6.634 1.00 0.00 O ATOM 318 CB LEU A 27 2.030 1.688 -5.912 1.00 0.00 C ATOM 319 CG LEU A 27 2.469 3.116 -6.237 1.00 0.00 C ATOM 320 CD1 LEU A 27 3.222 3.705 -5.042 1.00 0.00 C ATOM 321 CD2 LEU A 27 3.390 3.099 -7.460 1.00 0.00 C ATOM 0 H LEU A 27 1.168 1.229 -3.363 1.00 0.00 H new ATOM 0 HA LEU A 27 0.039 2.511 -5.836 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.707 1.246 -5.181 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.079 1.068 -6.807 1.00 0.00 H new ATOM 0 HG LEU A 27 1.591 3.726 -6.449 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.535 4.723 -5.275 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.568 3.717 -4.170 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.100 3.096 -4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.704 4.116 -7.693 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.267 2.488 -7.246 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.855 2.680 -8.312 1.00 0.00 H new ATOM 333 N ASP A 28 0.146 -0.623 -4.842 1.00 0.00 N ATOM 334 CA ASP A 28 -0.490 -1.949 -5.089 1.00 0.00 C ATOM 335 C ASP A 28 -0.354 -2.825 -3.842 1.00 0.00 C ATOM 336 O ASP A 28 0.205 -2.419 -2.843 1.00 0.00 O ATOM 337 CB ASP A 28 0.203 -2.634 -6.270 1.00 0.00 C ATOM 338 CG ASP A 28 -0.762 -2.712 -7.454 1.00 0.00 C ATOM 339 OD1 ASP A 28 -1.014 -1.682 -8.056 1.00 0.00 O ATOM 340 OD2 ASP A 28 -1.233 -3.801 -7.738 1.00 0.00 O ATOM 0 H ASP A 28 0.739 -0.571 -4.014 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.546 -1.806 -5.317 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.097 -2.078 -6.552 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.526 -3.635 -5.985 1.00 0.00 H new ATOM 345 N ARG A 29 -0.861 -4.027 -3.895 1.00 0.00 N ATOM 346 CA ARG A 29 -0.762 -4.933 -2.716 1.00 0.00 C ATOM 347 C ARG A 29 -0.493 -6.362 -3.194 1.00 0.00 C ATOM 348 O ARG A 29 -0.924 -6.760 -4.259 1.00 0.00 O ATOM 349 CB ARG A 29 -2.075 -4.897 -1.932 1.00 0.00 C ATOM 350 CG ARG A 29 -1.965 -5.809 -0.707 1.00 0.00 C ATOM 351 CD ARG A 29 -3.360 -6.070 -0.137 1.00 0.00 C ATOM 352 NE ARG A 29 -3.723 -7.499 -0.348 1.00 0.00 N ATOM 353 CZ ARG A 29 -4.914 -7.925 -0.021 1.00 0.00 C ATOM 354 NH1 ARG A 29 -5.973 -7.319 -0.484 1.00 0.00 N ATOM 355 NH2 ARG A 29 -5.044 -8.955 0.768 1.00 0.00 N ATOM 0 H ARG A 29 -1.340 -4.421 -4.705 1.00 0.00 H new ATOM 0 HA ARG A 29 0.054 -4.604 -2.072 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.296 -3.876 -1.620 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.899 -5.222 -2.567 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.492 -6.751 -0.983 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.333 -5.344 0.050 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.380 -5.832 0.926 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.090 -5.423 -0.623 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.042 -8.145 -0.748 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.871 -6.513 -1.101 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.903 -7.651 -0.229 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.216 -9.428 1.130 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.974 -9.288 1.023 1.00 0.00 H new ATOM 369 N ARG A 30 0.216 -7.136 -2.419 1.00 0.00 N ATOM 370 CA ARG A 30 0.509 -8.536 -2.835 1.00 0.00 C ATOM 371 C ARG A 30 0.761 -9.394 -1.593 1.00 0.00 C ATOM 372 O ARG A 30 1.375 -8.958 -0.640 1.00 0.00 O ATOM 373 CB ARG A 30 1.754 -8.552 -3.727 1.00 0.00 C ATOM 374 CG ARG A 30 2.192 -9.998 -3.972 1.00 0.00 C ATOM 375 CD ARG A 30 3.599 -10.011 -4.573 1.00 0.00 C ATOM 376 NE ARG A 30 4.592 -10.329 -3.509 1.00 0.00 N ATOM 377 CZ ARG A 30 5.685 -10.976 -3.809 1.00 0.00 C ATOM 378 NH1 ARG A 30 5.632 -12.247 -4.098 1.00 0.00 N ATOM 379 NH2 ARG A 30 6.830 -10.351 -3.821 1.00 0.00 N ATOM 0 H ARG A 30 0.604 -6.860 -1.517 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.340 -8.937 -3.388 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.540 -8.061 -4.676 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.560 -7.992 -3.253 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.180 -10.556 -3.036 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.492 -10.492 -4.647 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.658 -10.750 -5.372 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.825 -9.042 -5.018 1.00 0.00 H new ATOM 0 HE ARG A 30 4.418 -10.041 -2.546 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.736 -12.735 -4.090 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.486 -12.753 -4.333 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.871 -9.357 -3.596 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.684 -10.856 -4.055 1.00 0.00 H new ATOM 393 N VAL A 31 0.293 -10.612 -1.597 1.00 0.00 N ATOM 394 CA VAL A 31 0.510 -11.496 -0.418 1.00 0.00 C ATOM 395 C VAL A 31 1.570 -12.546 -0.761 1.00 0.00 C ATOM 396 O VAL A 31 1.879 -12.781 -1.912 1.00 0.00 O ATOM 397 CB VAL A 31 -0.806 -12.191 -0.049 1.00 0.00 C ATOM 398 CG1 VAL A 31 -0.525 -13.401 0.848 1.00 0.00 C ATOM 399 CG2 VAL A 31 -1.707 -11.209 0.702 1.00 0.00 C ATOM 0 H VAL A 31 -0.230 -11.033 -2.365 1.00 0.00 H new ATOM 0 HA VAL A 31 0.850 -10.900 0.429 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.300 -12.525 -0.961 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.465 -13.889 1.106 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.116 -14.105 0.318 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.026 -13.070 1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.643 -11.702 0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.205 -10.876 1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.916 -10.348 0.067 1.00 0.00 H new ATOM 409 N VAL A 32 2.124 -13.182 0.233 1.00 0.00 N ATOM 410 CA VAL A 32 3.160 -14.221 -0.026 1.00 0.00 C ATOM 411 C VAL A 32 2.595 -15.591 0.344 1.00 0.00 C ATOM 412 O VAL A 32 2.961 -16.602 -0.221 1.00 0.00 O ATOM 413 CB VAL A 32 4.393 -13.929 0.829 1.00 0.00 C ATOM 414 CG1 VAL A 32 5.464 -14.989 0.559 1.00 0.00 C ATOM 415 CG2 VAL A 32 4.944 -12.547 0.474 1.00 0.00 C ATOM 0 H VAL A 32 1.903 -13.027 1.217 1.00 0.00 H new ATOM 0 HA VAL A 32 3.439 -14.212 -1.080 1.00 0.00 H new ATOM 0 HB VAL A 32 4.117 -13.951 1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.343 -14.781 1.168 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.072 -15.974 0.811 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.740 -14.967 -0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.823 -12.338 1.083 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.220 -12.525 -0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.182 -11.791 0.666 1.00 0.00 H new ATOM 425 N LYS A 33 1.701 -15.627 1.292 1.00 0.00 N ATOM 426 CA LYS A 33 1.099 -16.921 1.715 1.00 0.00 C ATOM 427 C LYS A 33 0.339 -16.706 3.023 1.00 0.00 C ATOM 428 O LYS A 33 -0.672 -17.329 3.280 1.00 0.00 O ATOM 429 CB LYS A 33 2.203 -17.960 1.931 1.00 0.00 C ATOM 430 CG LYS A 33 3.338 -17.336 2.745 1.00 0.00 C ATOM 431 CD LYS A 33 4.579 -18.226 2.654 1.00 0.00 C ATOM 432 CE LYS A 33 5.221 -18.350 4.037 1.00 0.00 C ATOM 433 NZ LYS A 33 5.187 -19.775 4.475 1.00 0.00 N ATOM 0 H LYS A 33 1.359 -14.809 1.796 1.00 0.00 H new ATOM 0 HA LYS A 33 0.419 -17.280 0.943 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.802 -18.829 2.453 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.580 -18.311 0.970 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.564 -16.338 2.368 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.034 -17.223 3.786 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.306 -19.212 2.279 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.292 -17.802 1.947 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.250 -17.993 4.005 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.689 -17.725 4.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.623 -19.860 5.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.200 -20.101 4.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.714 -20.360 3.795 1.00 0.00 H new ATOM 447 N GLY A 34 0.821 -15.820 3.851 1.00 0.00 N ATOM 448 CA GLY A 34 0.135 -15.549 5.144 1.00 0.00 C ATOM 449 C GLY A 34 0.577 -14.185 5.684 1.00 0.00 C ATOM 450 O GLY A 34 0.442 -13.900 6.859 1.00 0.00 O ATOM 0 H GLY A 34 1.664 -15.270 3.686 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.946 -15.563 5.004 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.373 -16.331 5.865 1.00 0.00 H new ATOM 454 N LYS A 35 1.104 -13.338 4.840 1.00 0.00 N ATOM 455 CA LYS A 35 1.550 -11.997 5.311 1.00 0.00 C ATOM 456 C LYS A 35 1.130 -10.935 4.292 1.00 0.00 C ATOM 457 O LYS A 35 1.813 -10.692 3.317 1.00 0.00 O ATOM 458 CB LYS A 35 3.074 -11.989 5.458 1.00 0.00 C ATOM 459 CG LYS A 35 3.448 -12.294 6.909 1.00 0.00 C ATOM 460 CD LYS A 35 3.629 -10.982 7.676 1.00 0.00 C ATOM 461 CE LYS A 35 4.615 -11.195 8.826 1.00 0.00 C ATOM 462 NZ LYS A 35 4.485 -10.077 9.804 1.00 0.00 N ATOM 0 H LYS A 35 1.244 -13.518 3.846 1.00 0.00 H new ATOM 0 HA LYS A 35 1.091 -11.778 6.275 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.518 -12.730 4.793 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.473 -11.018 5.165 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.670 -12.897 7.377 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.368 -12.878 6.944 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.997 -10.205 7.006 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.670 -10.640 8.064 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.417 -12.148 9.318 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.634 -11.240 8.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.155 -10.221 10.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.694 -9.175 9.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.515 -10.054 10.178 1.00 0.00 H new ATOM 476 N VAL A 36 0.010 -10.302 4.510 1.00 0.00 N ATOM 477 CA VAL A 36 -0.455 -9.259 3.553 1.00 0.00 C ATOM 478 C VAL A 36 0.648 -8.217 3.354 1.00 0.00 C ATOM 479 O VAL A 36 1.032 -7.521 4.272 1.00 0.00 O ATOM 480 CB VAL A 36 -1.707 -8.577 4.111 1.00 0.00 C ATOM 481 CG1 VAL A 36 -2.009 -7.316 3.300 1.00 0.00 C ATOM 482 CG2 VAL A 36 -2.893 -9.539 4.015 1.00 0.00 C ATOM 0 H VAL A 36 -0.603 -10.462 5.309 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.690 -9.724 2.596 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.539 -8.305 5.153 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.901 -6.832 3.699 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.164 -6.631 3.365 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.178 -7.586 2.257 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.786 -9.056 4.412 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.059 -9.809 2.972 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.680 -10.438 4.593 1.00 0.00 H new ATOM 492 N GLU A 37 1.158 -8.104 2.158 1.00 0.00 N ATOM 493 CA GLU A 37 2.233 -7.104 1.897 1.00 0.00 C ATOM 494 C GLU A 37 1.645 -5.913 1.138 1.00 0.00 C ATOM 495 O GLU A 37 0.573 -5.997 0.571 1.00 0.00 O ATOM 496 CB GLU A 37 3.339 -7.750 1.060 1.00 0.00 C ATOM 497 CG GLU A 37 4.576 -7.976 1.933 1.00 0.00 C ATOM 498 CD GLU A 37 5.773 -8.320 1.045 1.00 0.00 C ATOM 499 OE1 GLU A 37 5.597 -8.367 -0.161 1.00 0.00 O ATOM 500 OE2 GLU A 37 6.845 -8.532 1.587 1.00 0.00 O ATOM 0 H GLU A 37 0.877 -8.660 1.351 1.00 0.00 H new ATOM 0 HA GLU A 37 2.650 -6.761 2.844 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.992 -8.699 0.650 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.590 -7.110 0.214 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.789 -7.081 2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.391 -8.784 2.641 1.00 0.00 H new ATOM 507 N TYR A 38 2.333 -4.804 1.124 1.00 0.00 N ATOM 508 CA TYR A 38 1.805 -3.612 0.402 1.00 0.00 C ATOM 509 C TYR A 38 2.962 -2.847 -0.245 1.00 0.00 C ATOM 510 O TYR A 38 3.922 -2.486 0.407 1.00 0.00 O ATOM 511 CB TYR A 38 1.083 -2.697 1.393 1.00 0.00 C ATOM 512 CG TYR A 38 -0.409 -2.839 1.216 1.00 0.00 C ATOM 513 CD1 TYR A 38 -1.077 -2.066 0.256 1.00 0.00 C ATOM 514 CD2 TYR A 38 -1.126 -3.742 2.011 1.00 0.00 C ATOM 515 CE1 TYR A 38 -2.462 -2.198 0.092 1.00 0.00 C ATOM 516 CE2 TYR A 38 -2.511 -3.874 1.846 1.00 0.00 C ATOM 517 CZ TYR A 38 -3.179 -3.102 0.886 1.00 0.00 C ATOM 518 OH TYR A 38 -4.544 -3.232 0.724 1.00 0.00 O ATOM 0 H TYR A 38 3.236 -4.672 1.580 1.00 0.00 H new ATOM 0 HA TYR A 38 1.109 -3.937 -0.371 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.365 -2.955 2.414 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.382 -1.661 1.232 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.524 -1.369 -0.357 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.611 -4.337 2.751 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.977 -1.602 -0.647 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.064 -4.571 2.459 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.886 -3.902 1.352 1.00 0.00 H new ATOM 528 N LEU A 39 2.876 -2.591 -1.521 1.00 0.00 N ATOM 529 CA LEU A 39 3.970 -1.845 -2.206 1.00 0.00 C ATOM 530 C LEU A 39 3.653 -0.349 -2.176 1.00 0.00 C ATOM 531 O LEU A 39 2.532 0.059 -2.397 1.00 0.00 O ATOM 532 CB LEU A 39 4.076 -2.316 -3.658 1.00 0.00 C ATOM 533 CG LEU A 39 5.143 -1.494 -4.385 1.00 0.00 C ATOM 534 CD1 LEU A 39 5.876 -2.385 -5.389 1.00 0.00 C ATOM 535 CD2 LEU A 39 4.475 -0.334 -5.126 1.00 0.00 C ATOM 0 H LEU A 39 2.097 -2.866 -2.119 1.00 0.00 H new ATOM 0 HA LEU A 39 4.916 -2.029 -1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.333 -3.375 -3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.114 -2.206 -4.158 1.00 0.00 H new ATOM 0 HG LEU A 39 5.856 -1.100 -3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.636 -1.800 -5.907 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.351 -3.212 -4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.164 -2.778 -6.114 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.234 0.252 -5.644 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.763 -0.728 -5.851 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.952 0.301 -4.411 1.00 0.00 H new ATOM 547 N LEU A 40 4.630 0.474 -1.900 1.00 0.00 N ATOM 548 CA LEU A 40 4.369 1.943 -1.857 1.00 0.00 C ATOM 549 C LEU A 40 5.688 2.712 -1.970 1.00 0.00 C ATOM 550 O LEU A 40 6.754 2.133 -2.037 1.00 0.00 O ATOM 551 CB LEU A 40 3.667 2.315 -0.542 1.00 0.00 C ATOM 552 CG LEU A 40 4.272 1.544 0.640 1.00 0.00 C ATOM 553 CD1 LEU A 40 3.825 0.082 0.591 1.00 0.00 C ATOM 554 CD2 LEU A 40 5.801 1.614 0.585 1.00 0.00 C ATOM 0 H LEU A 40 5.591 0.195 -1.704 1.00 0.00 H new ATOM 0 HA LEU A 40 3.725 2.210 -2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.759 3.387 -0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.602 2.094 -0.618 1.00 0.00 H new ATOM 0 HG LEU A 40 3.926 1.997 1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.258 -0.459 1.432 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.738 0.032 0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.161 -0.370 -0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.221 1.064 1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.152 1.173 -0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.120 2.655 0.636 1.00 0.00 H new ATOM 566 N LYS A 41 5.621 4.017 -1.987 1.00 0.00 N ATOM 567 CA LYS A 41 6.866 4.831 -2.092 1.00 0.00 C ATOM 568 C LYS A 41 7.263 5.328 -0.701 1.00 0.00 C ATOM 569 O LYS A 41 6.890 4.754 0.304 1.00 0.00 O ATOM 570 CB LYS A 41 6.616 6.032 -3.007 1.00 0.00 C ATOM 571 CG LYS A 41 5.601 5.654 -4.088 1.00 0.00 C ATOM 572 CD LYS A 41 5.344 6.861 -4.992 1.00 0.00 C ATOM 573 CE LYS A 41 3.840 7.133 -5.067 1.00 0.00 C ATOM 574 NZ LYS A 41 3.594 8.340 -5.905 1.00 0.00 N ATOM 0 H LYS A 41 4.756 4.555 -1.933 1.00 0.00 H new ATOM 0 HA LYS A 41 7.667 4.219 -2.506 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.244 6.874 -2.424 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.551 6.351 -3.468 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.977 4.818 -4.678 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.669 5.326 -3.628 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.864 7.737 -4.603 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.740 6.672 -5.990 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.325 6.271 -5.492 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.437 7.284 -4.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.585 8.391 -6.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.863 9.192 -5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.162 8.281 -6.774 1.00 0.00 H new ATOM 588 N TRP A 42 8.016 6.392 -0.633 1.00 0.00 N ATOM 589 CA TRP A 42 8.433 6.922 0.696 1.00 0.00 C ATOM 590 C TRP A 42 8.641 8.435 0.603 1.00 0.00 C ATOM 591 O TRP A 42 9.109 8.946 -0.394 1.00 0.00 O ATOM 592 CB TRP A 42 9.740 6.251 1.123 1.00 0.00 C ATOM 593 CG TRP A 42 9.513 4.782 1.287 1.00 0.00 C ATOM 594 CD1 TRP A 42 9.574 3.869 0.289 1.00 0.00 C ATOM 595 CD2 TRP A 42 9.192 4.041 2.500 1.00 0.00 C ATOM 596 NE1 TRP A 42 9.310 2.617 0.813 1.00 0.00 N ATOM 597 CE2 TRP A 42 9.068 2.670 2.171 1.00 0.00 C ATOM 598 CE3 TRP A 42 8.996 4.423 3.841 1.00 0.00 C ATOM 599 CZ2 TRP A 42 8.763 1.712 3.138 1.00 0.00 C ATOM 600 CZ3 TRP A 42 8.688 3.461 4.819 1.00 0.00 C ATOM 601 CH2 TRP A 42 8.571 2.108 4.467 1.00 0.00 C ATOM 0 H TRP A 42 8.360 6.916 -1.438 1.00 0.00 H new ATOM 0 HA TRP A 42 7.657 6.709 1.432 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.514 6.430 0.377 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.094 6.682 2.059 1.00 0.00 H new ATOM 0 HD1 TRP A 42 9.793 4.084 -0.747 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.296 1.758 0.263 1.00 0.00 H new ATOM 0 HE3 TRP A 42 9.083 5.463 4.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.676 0.671 2.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 8.541 3.765 5.845 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.333 1.372 5.221 1.00 0.00 H new ATOM 612 N LYS A 43 8.292 9.154 1.636 1.00 0.00 N ATOM 613 CA LYS A 43 8.468 10.634 1.607 1.00 0.00 C ATOM 614 C LYS A 43 9.861 10.972 1.073 1.00 0.00 C ATOM 615 O LYS A 43 10.839 10.333 1.410 1.00 0.00 O ATOM 616 CB LYS A 43 8.313 11.193 3.023 1.00 0.00 C ATOM 617 CG LYS A 43 9.392 10.598 3.929 1.00 0.00 C ATOM 618 CD LYS A 43 10.512 11.621 4.133 1.00 0.00 C ATOM 619 CE LYS A 43 10.328 12.321 5.480 1.00 0.00 C ATOM 620 NZ LYS A 43 9.117 13.189 5.428 1.00 0.00 N ATOM 0 H LYS A 43 7.893 8.781 2.497 1.00 0.00 H new ATOM 0 HA LYS A 43 7.714 11.078 0.957 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.396 12.280 3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.324 10.954 3.413 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.961 10.319 4.890 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.794 9.688 3.484 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.482 11.125 4.099 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.500 12.354 3.326 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.225 11.582 6.275 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.208 12.920 5.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.058 13.754 6.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.180 13.824 4.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.268 12.595 5.342 1.00 0.00 H new ATOM 634 N GLY A 44 9.960 11.973 0.242 1.00 0.00 N ATOM 635 CA GLY A 44 11.291 12.352 -0.313 1.00 0.00 C ATOM 636 C GLY A 44 11.631 11.439 -1.492 1.00 0.00 C ATOM 637 O GLY A 44 12.740 11.434 -1.987 1.00 0.00 O ATOM 0 H GLY A 44 9.178 12.545 -0.077 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.279 13.393 -0.637 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.056 12.267 0.459 1.00 0.00 H new ATOM 641 N PHE A 45 10.684 10.664 -1.946 1.00 0.00 N ATOM 642 CA PHE A 45 10.952 9.751 -3.092 1.00 0.00 C ATOM 643 C PHE A 45 9.624 9.313 -3.716 1.00 0.00 C ATOM 644 O PHE A 45 8.561 9.665 -3.246 1.00 0.00 O ATOM 645 CB PHE A 45 11.713 8.519 -2.596 1.00 0.00 C ATOM 646 CG PHE A 45 13.197 8.795 -2.627 1.00 0.00 C ATOM 647 CD1 PHE A 45 13.778 9.383 -3.758 1.00 0.00 C ATOM 648 CD2 PHE A 45 13.994 8.462 -1.523 1.00 0.00 C ATOM 649 CE1 PHE A 45 15.155 9.638 -3.786 1.00 0.00 C ATOM 650 CE2 PHE A 45 15.371 8.716 -1.551 1.00 0.00 C ATOM 651 CZ PHE A 45 15.953 9.305 -2.682 1.00 0.00 C ATOM 0 H PHE A 45 9.736 10.624 -1.572 1.00 0.00 H new ATOM 0 HA PHE A 45 11.551 10.272 -3.839 1.00 0.00 H new ATOM 0 HB2 PHE A 45 11.400 8.270 -1.582 1.00 0.00 H new ATOM 0 HB3 PHE A 45 11.480 7.658 -3.223 1.00 0.00 H new ATOM 0 HD1 PHE A 45 13.164 9.640 -4.609 1.00 0.00 H new ATOM 0 HD2 PHE A 45 13.546 8.009 -0.651 1.00 0.00 H new ATOM 0 HE1 PHE A 45 15.602 10.091 -4.658 1.00 0.00 H new ATOM 0 HE2 PHE A 45 15.985 8.458 -0.701 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.015 9.502 -2.703 1.00 0.00 H new ATOM 661 N SER A 46 9.679 8.547 -4.772 1.00 0.00 N ATOM 662 CA SER A 46 8.421 8.086 -5.425 1.00 0.00 C ATOM 663 C SER A 46 8.737 6.935 -6.376 1.00 0.00 C ATOM 664 O SER A 46 9.515 7.075 -7.298 1.00 0.00 O ATOM 665 CB SER A 46 7.806 9.238 -6.210 1.00 0.00 C ATOM 666 OG SER A 46 8.180 9.132 -7.578 1.00 0.00 O ATOM 0 H SER A 46 10.540 8.221 -5.210 1.00 0.00 H new ATOM 0 HA SER A 46 7.718 7.748 -4.664 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.720 9.218 -6.116 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.143 10.191 -5.802 1.00 0.00 H new ATOM 0 HG SER A 46 9.064 8.714 -7.644 1.00 0.00 H new ATOM 672 N ASP A 47 8.152 5.791 -6.152 1.00 0.00 N ATOM 673 CA ASP A 47 8.436 4.631 -7.037 1.00 0.00 C ATOM 674 C ASP A 47 9.936 4.339 -6.997 1.00 0.00 C ATOM 675 O ASP A 47 10.465 3.623 -7.825 1.00 0.00 O ATOM 676 CB ASP A 47 8.014 4.961 -8.471 1.00 0.00 C ATOM 677 CG ASP A 47 6.504 5.206 -8.514 1.00 0.00 C ATOM 678 OD1 ASP A 47 5.774 4.248 -8.710 1.00 0.00 O ATOM 679 OD2 ASP A 47 6.104 6.347 -8.352 1.00 0.00 O ATOM 0 H ASP A 47 7.491 5.611 -5.396 1.00 0.00 H new ATOM 0 HA ASP A 47 7.879 3.759 -6.695 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.547 5.844 -8.824 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.279 4.140 -9.138 1.00 0.00 H new ATOM 684 N GLU A 48 10.626 4.897 -6.039 1.00 0.00 N ATOM 685 CA GLU A 48 12.092 4.663 -5.937 1.00 0.00 C ATOM 686 C GLU A 48 12.355 3.417 -5.091 1.00 0.00 C ATOM 687 O GLU A 48 13.163 2.578 -5.435 1.00 0.00 O ATOM 688 CB GLU A 48 12.746 5.873 -5.274 1.00 0.00 C ATOM 689 CG GLU A 48 13.142 6.893 -6.344 1.00 0.00 C ATOM 690 CD GLU A 48 14.662 6.889 -6.516 1.00 0.00 C ATOM 691 OE1 GLU A 48 15.337 7.416 -5.649 1.00 0.00 O ATOM 692 OE2 GLU A 48 15.125 6.357 -7.512 1.00 0.00 O ATOM 0 H GLU A 48 10.234 5.507 -5.321 1.00 0.00 H new ATOM 0 HA GLU A 48 12.509 4.517 -6.933 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.057 6.327 -4.562 1.00 0.00 H new ATOM 0 HB3 GLU A 48 13.626 5.561 -4.711 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.658 6.650 -7.290 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.801 7.888 -6.057 1.00 0.00 H new ATOM 699 N ASP A 49 11.677 3.292 -3.983 1.00 0.00 N ATOM 700 CA ASP A 49 11.888 2.103 -3.112 1.00 0.00 C ATOM 701 C ASP A 49 10.887 1.012 -3.490 1.00 0.00 C ATOM 702 O ASP A 49 11.230 -0.148 -3.598 1.00 0.00 O ATOM 703 CB ASP A 49 11.680 2.503 -1.650 1.00 0.00 C ATOM 704 CG ASP A 49 12.963 2.238 -0.860 1.00 0.00 C ATOM 705 OD1 ASP A 49 13.884 3.027 -0.983 1.00 0.00 O ATOM 706 OD2 ASP A 49 13.000 1.249 -0.145 1.00 0.00 O ATOM 0 H ASP A 49 10.987 3.962 -3.644 1.00 0.00 H new ATOM 0 HA ASP A 49 12.902 1.727 -3.246 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.412 3.558 -1.585 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.853 1.937 -1.221 1.00 0.00 H new ATOM 711 N ASN A 50 9.651 1.380 -3.692 1.00 0.00 N ATOM 712 CA ASN A 50 8.617 0.372 -4.065 1.00 0.00 C ATOM 713 C ASN A 50 8.821 -0.902 -3.243 1.00 0.00 C ATOM 714 O ASN A 50 8.891 -1.991 -3.777 1.00 0.00 O ATOM 715 CB ASN A 50 8.737 0.043 -5.554 1.00 0.00 C ATOM 716 CG ASN A 50 7.566 0.669 -6.312 1.00 0.00 C ATOM 717 OD1 ASN A 50 6.872 1.518 -5.789 1.00 0.00 O ATOM 718 ND2 ASN A 50 7.313 0.282 -7.534 1.00 0.00 N ATOM 0 H ASN A 50 9.311 2.339 -3.615 1.00 0.00 H new ATOM 0 HA ASN A 50 7.627 0.779 -3.861 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.681 0.421 -5.946 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.742 -1.037 -5.699 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.533 0.693 -8.048 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.895 -0.431 -7.974 1.00 0.00 H new ATOM 725 N THR A 51 8.920 -0.776 -1.949 1.00 0.00 N ATOM 726 CA THR A 51 9.123 -1.982 -1.098 1.00 0.00 C ATOM 727 C THR A 51 7.766 -2.520 -0.640 1.00 0.00 C ATOM 728 O THR A 51 6.758 -1.845 -0.723 1.00 0.00 O ATOM 729 CB THR A 51 9.962 -1.605 0.126 1.00 0.00 C ATOM 730 OG1 THR A 51 10.170 -2.760 0.928 1.00 0.00 O ATOM 731 CG2 THR A 51 9.226 -0.541 0.942 1.00 0.00 C ATOM 0 H THR A 51 8.869 0.109 -1.444 1.00 0.00 H new ATOM 0 HA THR A 51 9.641 -2.749 -1.673 1.00 0.00 H new ATOM 0 HB THR A 51 10.924 -1.209 -0.199 1.00 0.00 H new ATOM 0 HG1 THR A 51 10.708 -2.522 1.711 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.824 -0.273 1.813 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.066 0.344 0.326 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.264 -0.935 1.269 1.00 0.00 H new ATOM 739 N TRP A 52 7.733 -3.733 -0.157 1.00 0.00 N ATOM 740 CA TRP A 52 6.443 -4.318 0.305 1.00 0.00 C ATOM 741 C TRP A 52 6.431 -4.384 1.834 1.00 0.00 C ATOM 742 O TRP A 52 7.026 -5.259 2.432 1.00 0.00 O ATOM 743 CB TRP A 52 6.289 -5.729 -0.266 1.00 0.00 C ATOM 744 CG TRP A 52 6.298 -5.669 -1.760 1.00 0.00 C ATOM 745 CD1 TRP A 52 7.411 -5.627 -2.531 1.00 0.00 C ATOM 746 CD2 TRP A 52 5.167 -5.645 -2.679 1.00 0.00 C ATOM 747 NE1 TRP A 52 7.032 -5.578 -3.858 1.00 0.00 N ATOM 748 CE2 TRP A 52 5.667 -5.588 -3.999 1.00 0.00 C ATOM 749 CE3 TRP A 52 3.770 -5.668 -2.498 1.00 0.00 C ATOM 750 CZ2 TRP A 52 4.823 -5.552 -5.100 1.00 0.00 C ATOM 751 CZ3 TRP A 52 2.910 -5.632 -3.611 1.00 0.00 C ATOM 752 CH2 TRP A 52 3.437 -5.575 -4.911 1.00 0.00 C ATOM 0 H TRP A 52 8.545 -4.344 -0.063 1.00 0.00 H new ATOM 0 HA TRP A 52 5.618 -3.694 -0.039 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.100 -6.366 0.087 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.358 -6.175 0.085 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.428 -5.631 -2.167 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.687 -5.539 -4.639 1.00 0.00 H new ATOM 0 HE3 TRP A 52 3.358 -5.713 -1.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.234 -5.506 -6.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 1.840 -5.648 -3.465 1.00 0.00 H new ATOM 0 HH2 TRP A 52 2.774 -5.549 -5.763 1.00 0.00 H new ATOM 763 N GLU A 53 5.760 -3.465 2.472 1.00 0.00 N ATOM 764 CA GLU A 53 5.710 -3.475 3.961 1.00 0.00 C ATOM 765 C GLU A 53 4.464 -4.239 4.423 1.00 0.00 C ATOM 766 O GLU A 53 3.524 -4.397 3.670 1.00 0.00 O ATOM 767 CB GLU A 53 5.649 -2.036 4.478 1.00 0.00 C ATOM 768 CG GLU A 53 6.882 -1.269 3.999 1.00 0.00 C ATOM 769 CD GLU A 53 7.877 -1.127 5.153 1.00 0.00 C ATOM 770 OE1 GLU A 53 7.431 -1.028 6.284 1.00 0.00 O ATOM 771 OE2 GLU A 53 9.067 -1.118 4.885 1.00 0.00 O ATOM 0 H GLU A 53 5.244 -2.707 2.026 1.00 0.00 H new ATOM 0 HA GLU A 53 6.602 -3.964 4.353 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.742 -1.548 4.120 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.605 -2.031 5.567 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.349 -1.794 3.165 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.591 -0.284 3.633 1.00 0.00 H new ATOM 778 N PRO A 54 4.498 -4.690 5.651 1.00 0.00 N ATOM 779 CA PRO A 54 3.384 -5.443 6.250 1.00 0.00 C ATOM 780 C PRO A 54 2.257 -4.491 6.664 1.00 0.00 C ATOM 781 O PRO A 54 2.486 -3.483 7.302 1.00 0.00 O ATOM 782 CB PRO A 54 4.018 -6.108 7.474 1.00 0.00 C ATOM 783 CG PRO A 54 5.270 -5.268 7.828 1.00 0.00 C ATOM 784 CD PRO A 54 5.649 -4.488 6.555 1.00 0.00 C ATOM 0 HA PRO A 54 2.935 -6.163 5.566 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.318 -6.132 8.309 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.292 -7.141 7.257 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.059 -4.586 8.652 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.090 -5.911 8.148 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.808 -3.431 6.768 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.572 -4.867 6.116 1.00 0.00 H new ATOM 792 N GLU A 55 1.042 -4.804 6.304 1.00 0.00 N ATOM 793 CA GLU A 55 -0.097 -3.919 6.676 1.00 0.00 C ATOM 794 C GLU A 55 -0.241 -3.882 8.198 1.00 0.00 C ATOM 795 O GLU A 55 -0.955 -3.065 8.745 1.00 0.00 O ATOM 796 CB GLU A 55 -1.386 -4.462 6.055 1.00 0.00 C ATOM 797 CG GLU A 55 -1.593 -5.912 6.497 1.00 0.00 C ATOM 798 CD GLU A 55 -2.983 -6.385 6.064 1.00 0.00 C ATOM 799 OE1 GLU A 55 -3.721 -5.576 5.528 1.00 0.00 O ATOM 800 OE2 GLU A 55 -3.284 -7.547 6.278 1.00 0.00 O ATOM 0 H GLU A 55 0.789 -5.634 5.768 1.00 0.00 H new ATOM 0 HA GLU A 55 0.090 -2.911 6.306 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.235 -3.852 6.362 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.330 -4.406 4.968 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.827 -6.550 6.057 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.491 -5.991 7.579 1.00 0.00 H new ATOM 807 N GLU A 56 0.432 -4.763 8.888 1.00 0.00 N ATOM 808 CA GLU A 56 0.333 -4.778 10.374 1.00 0.00 C ATOM 809 C GLU A 56 1.478 -3.955 10.969 1.00 0.00 C ATOM 810 O GLU A 56 2.130 -4.369 11.908 1.00 0.00 O ATOM 811 CB GLU A 56 0.427 -6.221 10.876 1.00 0.00 C ATOM 812 CG GLU A 56 -0.486 -7.115 10.034 1.00 0.00 C ATOM 813 CD GLU A 56 -0.534 -8.516 10.647 1.00 0.00 C ATOM 814 OE1 GLU A 56 0.413 -8.876 11.327 1.00 0.00 O ATOM 815 OE2 GLU A 56 -1.515 -9.205 10.426 1.00 0.00 O ATOM 0 H GLU A 56 1.045 -5.472 8.486 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.621 -4.348 10.680 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.457 -6.573 10.813 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.136 -6.272 11.925 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.489 -6.691 9.991 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.118 -7.167 9.009 1.00 0.00 H new ATOM 822 N ASN A 57 1.728 -2.793 10.431 1.00 0.00 N ATOM 823 CA ASN A 57 2.832 -1.946 10.967 1.00 0.00 C ATOM 824 C ASN A 57 2.804 -0.579 10.280 1.00 0.00 C ATOM 825 O ASN A 57 3.104 0.434 10.880 1.00 0.00 O ATOM 826 CB ASN A 57 4.174 -2.626 10.696 1.00 0.00 C ATOM 827 CG ASN A 57 4.655 -3.335 11.963 1.00 0.00 C ATOM 828 OD1 ASN A 57 4.974 -4.507 11.934 1.00 0.00 O ATOM 829 ND2 ASN A 57 4.720 -2.670 13.084 1.00 0.00 N ATOM 0 H ASN A 57 1.216 -2.393 9.644 1.00 0.00 H new ATOM 0 HA ASN A 57 2.702 -1.816 12.041 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.072 -3.344 9.882 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.910 -1.887 10.379 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.038 -3.134 13.935 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.452 -1.686 13.110 1.00 0.00 H new ATOM 836 N LEU A 58 2.448 -0.541 9.024 1.00 0.00 N ATOM 837 CA LEU A 58 2.403 0.759 8.301 1.00 0.00 C ATOM 838 C LEU A 58 1.555 1.756 9.094 1.00 0.00 C ATOM 839 O LEU A 58 0.623 1.385 9.779 1.00 0.00 O ATOM 840 CB LEU A 58 1.783 0.550 6.917 1.00 0.00 C ATOM 841 CG LEU A 58 2.892 0.309 5.892 1.00 0.00 C ATOM 842 CD1 LEU A 58 2.346 -0.536 4.740 1.00 0.00 C ATOM 843 CD2 LEU A 58 3.385 1.652 5.349 1.00 0.00 C ATOM 0 H LEU A 58 2.187 -1.356 8.469 1.00 0.00 H new ATOM 0 HA LEU A 58 3.415 1.150 8.192 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.101 -0.300 6.937 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.196 1.424 6.634 1.00 0.00 H new ATOM 0 HG LEU A 58 3.719 -0.217 6.369 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.136 -0.708 4.009 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.994 -1.493 5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.519 -0.010 4.263 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.176 1.481 4.618 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.558 2.177 4.872 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.774 2.256 6.169 1.00 0.00 H new ATOM 855 N ASP A 59 1.871 3.019 9.006 1.00 0.00 N ATOM 856 CA ASP A 59 1.083 4.038 9.753 1.00 0.00 C ATOM 857 C ASP A 59 0.294 4.899 8.765 1.00 0.00 C ATOM 858 O ASP A 59 0.376 6.111 8.779 1.00 0.00 O ATOM 859 CB ASP A 59 2.034 4.928 10.559 1.00 0.00 C ATOM 860 CG ASP A 59 2.931 4.053 11.437 1.00 0.00 C ATOM 861 OD1 ASP A 59 3.342 3.004 10.970 1.00 0.00 O ATOM 862 OD2 ASP A 59 3.190 4.448 12.562 1.00 0.00 O ATOM 0 H ASP A 59 2.641 3.389 8.449 1.00 0.00 H new ATOM 0 HA ASP A 59 0.391 3.537 10.430 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.643 5.531 9.886 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.464 5.620 11.179 1.00 0.00 H new ATOM 867 N CYS A 60 -0.469 4.282 7.905 1.00 0.00 N ATOM 868 CA CYS A 60 -1.263 5.064 6.916 1.00 0.00 C ATOM 869 C CYS A 60 -2.533 4.289 6.551 1.00 0.00 C ATOM 870 O CYS A 60 -2.581 3.622 5.537 1.00 0.00 O ATOM 871 CB CYS A 60 -0.425 5.293 5.657 1.00 0.00 C ATOM 872 SG CYS A 60 -0.169 7.068 5.417 1.00 0.00 S ATOM 0 H CYS A 60 -0.577 3.270 7.845 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.538 6.025 7.350 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.535 4.785 5.749 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.929 4.867 4.789 1.00 0.00 H new ATOM 0 HG CYS A 60 0.162 7.616 6.549 1.00 0.00 H new ATOM 878 N PRO A 61 -3.527 4.404 7.395 1.00 0.00 N ATOM 879 CA PRO A 61 -4.819 3.727 7.197 1.00 0.00 C ATOM 880 C PRO A 61 -5.660 4.476 6.159 1.00 0.00 C ATOM 881 O PRO A 61 -6.771 4.092 5.852 1.00 0.00 O ATOM 882 CB PRO A 61 -5.472 3.789 8.581 1.00 0.00 C ATOM 883 CG PRO A 61 -4.800 4.967 9.328 1.00 0.00 C ATOM 884 CD PRO A 61 -3.453 5.221 8.624 1.00 0.00 C ATOM 0 HA PRO A 61 -4.718 2.707 6.826 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.547 3.945 8.497 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.327 2.853 9.121 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.429 5.857 9.295 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.648 4.723 10.380 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.318 6.277 8.392 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.613 4.922 9.251 1.00 0.00 H new ATOM 892 N ASP A 62 -5.135 5.537 5.610 1.00 0.00 N ATOM 893 CA ASP A 62 -5.900 6.303 4.591 1.00 0.00 C ATOM 894 C ASP A 62 -5.759 5.603 3.242 1.00 0.00 C ATOM 895 O ASP A 62 -6.716 5.443 2.510 1.00 0.00 O ATOM 896 CB ASP A 62 -5.344 7.725 4.492 1.00 0.00 C ATOM 897 CG ASP A 62 -6.142 8.651 5.412 1.00 0.00 C ATOM 898 OD1 ASP A 62 -7.190 8.233 5.875 1.00 0.00 O ATOM 899 OD2 ASP A 62 -5.692 9.762 5.637 1.00 0.00 O ATOM 0 H ASP A 62 -4.208 5.905 5.825 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.951 6.351 4.876 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.291 7.735 4.773 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.403 8.079 3.463 1.00 0.00 H new ATOM 904 N LEU A 63 -4.572 5.178 2.911 1.00 0.00 N ATOM 905 CA LEU A 63 -4.371 4.481 1.614 1.00 0.00 C ATOM 906 C LEU A 63 -4.597 2.981 1.810 1.00 0.00 C ATOM 907 O LEU A 63 -4.854 2.253 0.872 1.00 0.00 O ATOM 908 CB LEU A 63 -2.947 4.726 1.115 1.00 0.00 C ATOM 909 CG LEU A 63 -2.671 6.228 1.075 1.00 0.00 C ATOM 910 CD1 LEU A 63 -1.205 6.488 1.429 1.00 0.00 C ATOM 911 CD2 LEU A 63 -2.958 6.761 -0.330 1.00 0.00 C ATOM 0 H LEU A 63 -3.734 5.284 3.483 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.078 4.864 0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.231 4.231 1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.820 4.296 0.122 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.314 6.735 1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.008 7.560 1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.999 6.108 2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.562 5.982 0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.761 7.833 -0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.315 6.254 -1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.002 6.576 -0.583 1.00 0.00 H new ATOM 923 N ILE A 64 -4.508 2.516 3.027 1.00 0.00 N ATOM 924 CA ILE A 64 -4.722 1.065 3.287 1.00 0.00 C ATOM 925 C ILE A 64 -6.212 0.745 3.173 1.00 0.00 C ATOM 926 O ILE A 64 -6.594 -0.333 2.770 1.00 0.00 O ATOM 927 CB ILE A 64 -4.233 0.721 4.695 1.00 0.00 C ATOM 928 CG1 ILE A 64 -2.715 0.908 4.768 1.00 0.00 C ATOM 929 CG2 ILE A 64 -4.581 -0.733 5.016 1.00 0.00 C ATOM 930 CD1 ILE A 64 -2.024 -0.187 3.954 1.00 0.00 C ATOM 0 H ILE A 64 -4.296 3.078 3.851 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.165 0.478 2.557 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.717 1.379 5.417 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.440 1.890 4.383 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.383 0.868 5.805 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.232 -0.978 6.019 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.661 -0.869 4.964 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.098 -1.391 4.294 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.944 -0.053 4.007 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.289 -1.164 4.360 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.347 -0.126 2.915 1.00 0.00 H new ATOM 942 N ALA A 65 -7.056 1.676 3.528 1.00 0.00 N ATOM 943 CA ALA A 65 -8.526 1.433 3.441 1.00 0.00 C ATOM 944 C ALA A 65 -9.107 2.208 2.253 1.00 0.00 C ATOM 945 O ALA A 65 -10.271 2.082 1.928 1.00 0.00 O ATOM 946 CB ALA A 65 -9.196 1.906 4.733 1.00 0.00 C ATOM 0 H ALA A 65 -6.790 2.597 3.876 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.709 0.368 3.302 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.270 1.729 4.672 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.785 1.355 5.579 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.011 2.971 4.870 1.00 0.00 H new ATOM 952 N GLU A 66 -8.304 3.005 1.600 1.00 0.00 N ATOM 953 CA GLU A 66 -8.806 3.784 0.431 1.00 0.00 C ATOM 954 C GLU A 66 -8.516 2.999 -0.845 1.00 0.00 C ATOM 955 O GLU A 66 -9.354 2.872 -1.716 1.00 0.00 O ATOM 956 CB GLU A 66 -8.098 5.140 0.371 1.00 0.00 C ATOM 957 CG GLU A 66 -8.522 5.881 -0.899 1.00 0.00 C ATOM 958 CD GLU A 66 -8.452 7.389 -0.656 1.00 0.00 C ATOM 959 OE1 GLU A 66 -8.512 7.788 0.496 1.00 0.00 O ATOM 960 OE2 GLU A 66 -8.340 8.121 -1.626 1.00 0.00 O ATOM 0 H GLU A 66 -7.320 3.150 1.826 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.879 3.948 0.531 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.348 5.732 1.251 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.017 4.999 0.379 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.871 5.605 -1.729 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.535 5.594 -1.180 1.00 0.00 H new ATOM 967 N PHE A 67 -7.341 2.443 -0.947 1.00 0.00 N ATOM 968 CA PHE A 67 -7.002 1.635 -2.146 1.00 0.00 C ATOM 969 C PHE A 67 -7.529 0.228 -1.900 1.00 0.00 C ATOM 970 O PHE A 67 -7.813 -0.522 -2.811 1.00 0.00 O ATOM 971 CB PHE A 67 -5.484 1.595 -2.336 1.00 0.00 C ATOM 972 CG PHE A 67 -5.136 0.584 -3.401 1.00 0.00 C ATOM 973 CD1 PHE A 67 -5.281 0.914 -4.755 1.00 0.00 C ATOM 974 CD2 PHE A 67 -4.671 -0.686 -3.036 1.00 0.00 C ATOM 975 CE1 PHE A 67 -4.960 -0.025 -5.744 1.00 0.00 C ATOM 976 CE2 PHE A 67 -4.350 -1.625 -4.025 1.00 0.00 C ATOM 977 CZ PHE A 67 -4.494 -1.295 -5.379 1.00 0.00 C ATOM 0 H PHE A 67 -6.601 2.515 -0.249 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.445 2.066 -3.043 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.117 2.581 -2.621 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.996 1.333 -1.397 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.640 1.893 -5.036 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.560 -0.941 -1.992 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -5.072 0.230 -6.788 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.991 -2.604 -3.743 1.00 0.00 H new ATOM 0 HZ PHE A 67 -4.246 -2.019 -6.141 1.00 0.00 H new ATOM 987 N LEU A 68 -7.673 -0.113 -0.651 1.00 0.00 N ATOM 988 CA LEU A 68 -8.196 -1.447 -0.278 1.00 0.00 C ATOM 989 C LEU A 68 -9.409 -1.782 -1.150 1.00 0.00 C ATOM 990 O LEU A 68 -9.441 -2.793 -1.824 1.00 0.00 O ATOM 991 CB LEU A 68 -8.621 -1.392 1.189 1.00 0.00 C ATOM 992 CG LEU A 68 -7.975 -2.539 1.969 1.00 0.00 C ATOM 993 CD1 LEU A 68 -8.707 -2.728 3.298 1.00 0.00 C ATOM 994 CD2 LEU A 68 -8.060 -3.834 1.154 1.00 0.00 C ATOM 0 H LEU A 68 -7.445 0.491 0.139 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.433 -2.211 -0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.329 -0.436 1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.706 -1.458 1.264 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.929 -2.299 2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.247 -3.545 3.854 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.643 -1.810 3.882 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.754 -2.964 3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.599 -4.647 1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -9.105 -4.074 0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.537 -3.703 0.207 1.00 0.00 H new ATOM 1006 N GLN A 69 -10.406 -0.939 -1.141 1.00 0.00 N ATOM 1007 CA GLN A 69 -11.618 -1.206 -1.967 1.00 0.00 C ATOM 1008 C GLN A 69 -11.337 -0.825 -3.420 1.00 0.00 C ATOM 1009 O GLN A 69 -12.039 -1.232 -4.326 1.00 0.00 O ATOM 1010 CB GLN A 69 -12.790 -0.376 -1.438 1.00 0.00 C ATOM 1011 CG GLN A 69 -12.953 -0.617 0.063 1.00 0.00 C ATOM 1012 CD GLN A 69 -14.350 -1.175 0.341 1.00 0.00 C ATOM 1013 OE1 GLN A 69 -15.011 -0.755 1.270 1.00 0.00 O ATOM 1014 NE2 GLN A 69 -14.830 -2.113 -0.430 1.00 0.00 N ATOM 0 H GLN A 69 -10.433 -0.077 -0.597 1.00 0.00 H new ATOM 0 HA GLN A 69 -11.870 -2.265 -1.911 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -12.615 0.683 -1.630 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -13.707 -0.647 -1.962 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -12.194 -1.316 0.414 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -12.806 0.314 0.610 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -14.275 -2.466 -1.210 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -15.760 -2.493 -0.252 1.00 0.00 H new ATOM 1023 N SER A 70 -10.316 -0.048 -3.653 1.00 0.00 N ATOM 1024 CA SER A 70 -9.990 0.354 -5.050 1.00 0.00 C ATOM 1025 C SER A 70 -9.260 -0.795 -5.745 1.00 0.00 C ATOM 1026 O SER A 70 -9.080 -0.794 -6.946 1.00 0.00 O ATOM 1027 CB SER A 70 -9.092 1.591 -5.029 1.00 0.00 C ATOM 1028 OG SER A 70 -9.533 2.475 -4.007 1.00 0.00 O ATOM 0 H SER A 70 -9.693 0.326 -2.937 1.00 0.00 H new ATOM 0 HA SER A 70 -10.909 0.585 -5.589 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.057 1.300 -4.852 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.121 2.092 -5.997 1.00 0.00 H new ATOM 0 HG SER A 70 -9.331 2.088 -3.130 1.00 0.00 H new ATOM 1034 N GLN A 71 -8.840 -1.776 -4.995 1.00 0.00 N ATOM 1035 CA GLN A 71 -8.124 -2.928 -5.604 1.00 0.00 C ATOM 1036 C GLN A 71 -9.137 -3.854 -6.279 1.00 0.00 C ATOM 1037 O GLN A 71 -8.834 -4.525 -7.245 1.00 0.00 O ATOM 1038 CB GLN A 71 -7.377 -3.693 -4.508 1.00 0.00 C ATOM 1039 CG GLN A 71 -6.778 -4.974 -5.087 1.00 0.00 C ATOM 1040 CD GLN A 71 -5.453 -4.652 -5.783 1.00 0.00 C ATOM 1041 OE1 GLN A 71 -4.395 -4.946 -5.264 1.00 0.00 O ATOM 1042 NE2 GLN A 71 -5.468 -4.056 -6.943 1.00 0.00 N ATOM 0 H GLN A 71 -8.963 -1.828 -3.984 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.412 -2.569 -6.347 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.588 -3.069 -4.089 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.058 -3.936 -3.692 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.616 -5.703 -4.293 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.473 -5.424 -5.796 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.357 -3.809 -7.378 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.591 -3.837 -7.415 1.00 0.00 H new