USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 413 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 29 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 30 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 72 THR OG1 : rot 180:sc= -0.606 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -15! C(o=-15!,f=-19!) USER MOD Single : A 20 LYS NZ :NH3+ 137:sc= -0.0323 (180deg=-0.532) USER MOD Single : A 25 GLN : amide:sc= -3.59! C(o=-3.6!,f=-3.2!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -123:sc= 1.32 USER MOD Single : A 47 THR OG1 : rot 160:sc= 0.62 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.32 K(o=-1.3,f=-3.4!) USER MOD Single : A 54 CYS SG : rot 180:sc= -4.81! USER MOD Single : A 57 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.00958) USER MOD Single : A 58 SER OG : rot 170:sc= -1.44 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -127:sc= -0.0663 (180deg=-0.526) USER MOD Single : A 64 LYS NZ :NH3+ 174:sc= -1.04 (180deg=-1.28) USER MOD Single : A 67 GLN : amide:sc= -1.77 K(o=-1.8,f=-0.61) USER MOD Single : A 68 GLN : amide:sc= -0.216 K(o=-0.22,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 239 N TYR A 18 -0.545 -9.359 2.028 1.00 0.00 N ATOM 240 CA TYR A 18 -0.017 -8.184 2.785 1.00 0.00 C ATOM 241 C TYR A 18 1.438 -7.948 2.379 1.00 0.00 C ATOM 242 O TYR A 18 2.258 -8.843 2.426 1.00 0.00 O ATOM 243 CB TYR A 18 -0.116 -8.554 4.263 1.00 0.00 C ATOM 244 CG TYR A 18 -1.447 -8.102 4.837 1.00 0.00 C ATOM 245 CD1 TYR A 18 -2.411 -7.491 4.018 1.00 0.00 C ATOM 246 CD2 TYR A 18 -1.713 -8.293 6.199 1.00 0.00 C ATOM 247 CE1 TYR A 18 -3.631 -7.077 4.560 1.00 0.00 C ATOM 248 CE2 TYR A 18 -2.936 -7.876 6.741 1.00 0.00 C ATOM 249 CZ TYR A 18 -3.894 -7.268 5.921 1.00 0.00 C ATOM 250 OH TYR A 18 -5.098 -6.858 6.456 1.00 0.00 O ATOM 0 HA TYR A 18 -0.575 -7.270 2.580 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.010 -9.632 4.382 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.701 -8.090 4.815 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.209 -7.341 2.968 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.975 -8.762 6.832 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.371 -6.609 3.928 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.140 -8.024 7.791 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.118 -7.066 7.413 1.00 0.00 H new ATOM 260 N GLN A 19 1.765 -6.756 1.969 1.00 0.00 N ATOM 261 CA GLN A 19 3.166 -6.476 1.545 1.00 0.00 C ATOM 262 C GLN A 19 4.153 -6.988 2.597 1.00 0.00 C ATOM 263 O GLN A 19 4.040 -6.690 3.770 1.00 0.00 O ATOM 264 CB GLN A 19 3.250 -4.951 1.408 1.00 0.00 C ATOM 265 CG GLN A 19 4.668 -4.469 1.712 1.00 0.00 C ATOM 266 CD GLN A 19 5.530 -4.606 0.459 1.00 0.00 C ATOM 267 OE1 GLN A 19 6.192 -3.671 0.056 1.00 0.00 O ATOM 268 NE2 GLN A 19 5.554 -5.741 -0.178 1.00 0.00 N ATOM 0 H GLN A 19 1.125 -5.964 1.909 1.00 0.00 H new ATOM 0 HA GLN A 19 3.421 -6.976 0.611 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.966 -4.653 0.399 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.544 -4.478 2.090 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.648 -3.430 2.041 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.096 -5.053 2.527 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.998 -6.527 0.159 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.128 -5.844 -1.015 1.00 0.00 H new ATOM 277 N LYS A 20 5.129 -7.743 2.179 1.00 0.00 N ATOM 278 CA LYS A 20 6.140 -8.264 3.143 1.00 0.00 C ATOM 279 C LYS A 20 7.375 -7.362 3.114 1.00 0.00 C ATOM 280 O LYS A 20 7.963 -7.056 4.132 1.00 0.00 O ATOM 281 CB LYS A 20 6.483 -9.668 2.644 1.00 0.00 C ATOM 282 CG LYS A 20 6.794 -10.573 3.838 1.00 0.00 C ATOM 283 CD LYS A 20 7.530 -11.824 3.355 1.00 0.00 C ATOM 284 CE LYS A 20 6.814 -13.072 3.877 1.00 0.00 C ATOM 285 NZ LYS A 20 5.516 -13.104 3.147 1.00 0.00 N ATOM 0 H LYS A 20 5.272 -8.023 1.209 1.00 0.00 H new ATOM 0 HA LYS A 20 5.774 -8.286 4.169 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.649 -10.076 2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.340 -9.627 1.972 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.405 -10.037 4.564 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.871 -10.855 4.344 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.564 -11.841 2.266 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.562 -11.810 3.706 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.398 -13.972 3.684 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.660 -13.017 4.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.315 -14.077 2.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.756 -12.776 3.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.570 -12.482 2.315 1.00 0.00 H new ATOM 299 N ARG A 21 7.759 -6.923 1.947 1.00 0.00 N ATOM 300 CA ARG A 21 8.943 -6.027 1.831 1.00 0.00 C ATOM 301 C ARG A 21 8.532 -4.590 2.147 1.00 0.00 C ATOM 302 O ARG A 21 7.384 -4.224 2.004 1.00 0.00 O ATOM 303 CB ARG A 21 9.397 -6.166 0.371 1.00 0.00 C ATOM 304 CG ARG A 21 9.662 -4.784 -0.235 1.00 0.00 C ATOM 305 CD ARG A 21 10.355 -4.945 -1.590 1.00 0.00 C ATOM 306 NE ARG A 21 11.708 -4.352 -1.402 1.00 0.00 N ATOM 307 CZ ARG A 21 11.903 -3.084 -1.636 1.00 0.00 C ATOM 308 NH1 ARG A 21 11.708 -2.208 -0.688 1.00 0.00 N ATOM 309 NH2 ARG A 21 12.292 -2.690 -2.818 1.00 0.00 N ATOM 0 H ARG A 21 7.300 -7.148 1.064 1.00 0.00 H new ATOM 0 HA ARG A 21 9.743 -6.286 2.525 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.301 -6.773 0.320 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.632 -6.684 -0.207 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.724 -4.243 -0.356 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.286 -4.194 0.437 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.420 -5.994 -1.878 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.805 -4.432 -2.379 1.00 0.00 H new ATOM 0 HE ARG A 21 12.483 -4.938 -1.090 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.403 -2.515 0.236 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.860 -1.216 -0.871 1.00 0.00 H new ATOM 0 HH21 ARG A 21 12.444 -3.374 -3.559 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.444 -1.698 -3.000 1.00 0.00 H new ATOM 323 N PRO A 22 9.490 -3.825 2.568 1.00 0.00 N ATOM 324 CA PRO A 22 9.233 -2.407 2.907 1.00 0.00 C ATOM 325 C PRO A 22 8.885 -1.606 1.658 1.00 0.00 C ATOM 326 O PRO A 22 9.473 -1.772 0.607 1.00 0.00 O ATOM 327 CB PRO A 22 10.544 -1.941 3.520 1.00 0.00 C ATOM 328 CG PRO A 22 11.576 -2.877 2.971 1.00 0.00 C ATOM 329 CD PRO A 22 10.891 -4.197 2.765 1.00 0.00 C ATOM 0 HA PRO A 22 8.388 -2.275 3.582 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.762 -0.908 3.249 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.509 -1.984 4.609 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.981 -2.500 2.032 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.413 -2.979 3.661 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.291 -4.727 1.901 1.00 0.00 H new ATOM 0 HD3 PRO A 22 11.015 -4.853 3.627 1.00 0.00 H new ATOM 337 N LEU A 23 7.919 -0.746 1.772 1.00 0.00 N ATOM 338 CA LEU A 23 7.498 0.071 0.604 1.00 0.00 C ATOM 339 C LEU A 23 7.381 1.550 0.977 1.00 0.00 C ATOM 340 O LEU A 23 6.758 1.901 1.960 1.00 0.00 O ATOM 341 CB LEU A 23 6.138 -0.490 0.216 1.00 0.00 C ATOM 342 CG LEU A 23 6.286 -1.264 -1.082 1.00 0.00 C ATOM 343 CD1 LEU A 23 4.974 -1.984 -1.406 1.00 0.00 C ATOM 344 CD2 LEU A 23 6.627 -0.286 -2.209 1.00 0.00 C ATOM 0 H LEU A 23 7.397 -0.571 2.631 1.00 0.00 H new ATOM 0 HA LEU A 23 8.220 0.020 -0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.759 -1.141 1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.416 0.318 0.095 1.00 0.00 H new ATOM 0 HG LEU A 23 7.082 -2.002 -0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.084 -2.538 -2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.729 -2.675 -0.599 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.174 -1.252 -1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.735 -0.833 -3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.827 0.448 -2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.562 0.225 -1.977 1.00 0.00 H new ATOM 356 N PRO A 24 7.991 2.367 0.165 1.00 0.00 N ATOM 357 CA PRO A 24 7.970 3.827 0.382 1.00 0.00 C ATOM 358 C PRO A 24 6.727 4.449 -0.263 1.00 0.00 C ATOM 359 O PRO A 24 6.019 3.813 -1.018 1.00 0.00 O ATOM 360 CB PRO A 24 9.230 4.303 -0.331 1.00 0.00 C ATOM 361 CG PRO A 24 9.520 3.266 -1.379 1.00 0.00 C ATOM 362 CD PRO A 24 8.760 2.008 -1.024 1.00 0.00 C ATOM 0 HA PRO A 24 7.940 4.103 1.436 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.078 5.284 -0.782 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.062 4.398 0.366 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.220 3.626 -2.363 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.590 3.063 -1.427 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.107 1.696 -1.839 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.438 1.179 -0.823 1.00 0.00 H new ATOM 370 N GLN A 25 6.465 5.691 0.030 1.00 0.00 N ATOM 371 CA GLN A 25 5.279 6.373 -0.557 1.00 0.00 C ATOM 372 C GLN A 25 5.687 7.186 -1.789 1.00 0.00 C ATOM 373 O GLN A 25 4.960 7.268 -2.759 1.00 0.00 O ATOM 374 CB GLN A 25 4.781 7.301 0.550 1.00 0.00 C ATOM 375 CG GLN A 25 3.899 8.397 -0.052 1.00 0.00 C ATOM 376 CD GLN A 25 4.777 9.555 -0.530 1.00 0.00 C ATOM 377 OE1 GLN A 25 4.631 10.024 -1.642 1.00 0.00 O ATOM 378 NE2 GLN A 25 5.690 10.038 0.267 1.00 0.00 N ATOM 0 H GLN A 25 7.026 6.268 0.656 1.00 0.00 H new ATOM 0 HA GLN A 25 4.515 5.668 -0.883 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.217 6.732 1.288 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.628 7.748 1.071 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.322 7.997 -0.885 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.184 8.751 0.690 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.812 9.644 1.200 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.281 10.809 -0.043 1.00 0.00 H new ATOM 387 N VAL A 26 6.846 7.787 -1.757 1.00 0.00 N ATOM 388 CA VAL A 26 7.301 8.593 -2.919 1.00 0.00 C ATOM 389 C VAL A 26 7.329 7.730 -4.184 1.00 0.00 C ATOM 390 O VAL A 26 7.409 8.232 -5.287 1.00 0.00 O ATOM 391 CB VAL A 26 8.704 9.052 -2.531 1.00 0.00 C ATOM 392 CG1 VAL A 26 9.562 9.205 -3.781 1.00 0.00 C ATOM 393 CG2 VAL A 26 8.616 10.398 -1.807 1.00 0.00 C ATOM 0 H VAL A 26 7.497 7.752 -0.972 1.00 0.00 H new ATOM 0 HA VAL A 26 6.642 9.433 -3.139 1.00 0.00 H new ATOM 0 HB VAL A 26 9.156 8.310 -1.873 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.562 9.533 -3.498 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.627 8.247 -4.297 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.112 9.945 -4.443 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.617 10.728 -1.529 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.161 11.137 -2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.007 10.289 -0.909 1.00 0.00 H new ATOM 403 N LEU A 27 7.259 6.437 -4.032 1.00 0.00 N ATOM 404 CA LEU A 27 7.279 5.547 -5.225 1.00 0.00 C ATOM 405 C LEU A 27 5.855 5.120 -5.591 1.00 0.00 C ATOM 406 O LEU A 27 5.586 4.719 -6.707 1.00 0.00 O ATOM 407 CB LEU A 27 8.111 4.336 -4.804 1.00 0.00 C ATOM 408 CG LEU A 27 8.401 3.466 -6.028 1.00 0.00 C ATOM 409 CD1 LEU A 27 9.550 4.079 -6.831 1.00 0.00 C ATOM 410 CD2 LEU A 27 8.794 2.060 -5.571 1.00 0.00 C ATOM 0 H LEU A 27 7.189 5.959 -3.134 1.00 0.00 H new ATOM 0 HA LEU A 27 7.697 6.042 -6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.045 4.664 -4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.575 3.757 -4.052 1.00 0.00 H new ATOM 0 HG LEU A 27 7.510 3.411 -6.653 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.756 3.458 -7.703 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.272 5.081 -7.156 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.442 4.134 -6.206 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.001 1.439 -6.442 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.685 2.116 -4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.976 1.622 -4.999 1.00 0.00 H new ATOM 422 N LEU A 28 4.940 5.197 -4.662 1.00 0.00 N ATOM 423 CA LEU A 28 3.542 4.790 -4.965 1.00 0.00 C ATOM 424 C LEU A 28 2.677 6.018 -5.256 1.00 0.00 C ATOM 425 O LEU A 28 2.985 7.116 -4.839 1.00 0.00 O ATOM 426 CB LEU A 28 3.037 4.091 -3.702 1.00 0.00 C ATOM 427 CG LEU A 28 4.166 3.297 -3.041 1.00 0.00 C ATOM 428 CD1 LEU A 28 3.728 2.863 -1.644 1.00 0.00 C ATOM 429 CD2 LEU A 28 4.471 2.055 -3.878 1.00 0.00 C ATOM 0 H LEU A 28 5.102 5.524 -3.709 1.00 0.00 H new ATOM 0 HA LEU A 28 3.496 4.144 -5.841 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.646 4.830 -3.002 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.213 3.423 -3.954 1.00 0.00 H new ATOM 0 HG LEU A 28 5.057 3.921 -2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.530 2.297 -1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.502 3.744 -1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.838 2.238 -1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.275 1.488 -3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.579 1.432 -3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.777 2.357 -4.880 1.00 0.00 H new ATOM 441 N SER A 29 1.591 5.840 -5.960 1.00 0.00 N ATOM 442 CA SER A 29 0.710 7.004 -6.261 1.00 0.00 C ATOM 443 C SER A 29 -0.331 7.184 -5.156 1.00 0.00 C ATOM 444 O SER A 29 -0.313 8.152 -4.422 1.00 0.00 O ATOM 445 CB SER A 29 0.031 6.663 -7.584 1.00 0.00 C ATOM 446 OG SER A 29 -0.807 7.743 -7.974 1.00 0.00 O ATOM 0 H SER A 29 1.278 4.945 -6.337 1.00 0.00 H new ATOM 0 HA SER A 29 1.272 7.936 -6.322 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.781 6.473 -8.352 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.557 5.751 -7.480 1.00 0.00 H new ATOM 0 HG SER A 29 -1.243 7.528 -8.825 1.00 0.00 H new ATOM 452 N SER A 30 -1.239 6.259 -5.035 1.00 0.00 N ATOM 453 CA SER A 30 -2.288 6.376 -3.979 1.00 0.00 C ATOM 454 C SER A 30 -2.669 4.991 -3.448 1.00 0.00 C ATOM 455 O SER A 30 -1.942 4.031 -3.607 1.00 0.00 O ATOM 456 CB SER A 30 -3.479 7.028 -4.678 1.00 0.00 C ATOM 457 OG SER A 30 -3.571 6.533 -6.008 1.00 0.00 O ATOM 0 H SER A 30 -1.303 5.426 -5.620 1.00 0.00 H new ATOM 0 HA SER A 30 -1.947 6.958 -3.123 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.398 6.812 -4.133 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.361 8.112 -4.688 1.00 0.00 H new ATOM 0 HG SER A 30 -4.335 6.948 -6.459 1.00 0.00 H new ATOM 463 N TRP A 31 -3.807 4.881 -2.816 1.00 0.00 N ATOM 464 CA TRP A 31 -4.240 3.561 -2.273 1.00 0.00 C ATOM 465 C TRP A 31 -5.754 3.542 -2.082 1.00 0.00 C ATOM 466 O TRP A 31 -6.391 4.571 -1.989 1.00 0.00 O ATOM 467 CB TRP A 31 -3.554 3.440 -0.915 1.00 0.00 C ATOM 468 CG TRP A 31 -4.054 4.523 -0.018 1.00 0.00 C ATOM 469 CD1 TRP A 31 -3.730 5.825 -0.140 1.00 0.00 C ATOM 470 CD2 TRP A 31 -4.958 4.428 1.121 1.00 0.00 C ATOM 471 NE1 TRP A 31 -4.365 6.541 0.857 1.00 0.00 N ATOM 472 CE2 TRP A 31 -5.137 5.724 1.659 1.00 0.00 C ATOM 473 CE3 TRP A 31 -5.630 3.355 1.736 1.00 0.00 C ATOM 474 CZ2 TRP A 31 -5.955 5.949 2.767 1.00 0.00 C ATOM 475 CZ3 TRP A 31 -6.454 3.579 2.851 1.00 0.00 C ATOM 476 CH2 TRP A 31 -6.616 4.873 3.365 1.00 0.00 C ATOM 0 H TRP A 31 -4.457 5.650 -2.652 1.00 0.00 H new ATOM 0 HA TRP A 31 -3.980 2.743 -2.944 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -3.759 2.464 -0.476 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -2.473 3.517 -1.031 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -3.079 6.242 -0.895 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -4.275 7.549 0.985 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.511 2.354 1.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.076 6.948 3.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -6.966 2.749 3.315 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -7.251 5.038 4.223 1.00 0.00 H new ATOM 487 N TYR A 32 -6.332 2.379 -2.000 1.00 0.00 N ATOM 488 CA TYR A 32 -7.805 2.302 -1.788 1.00 0.00 C ATOM 489 C TYR A 32 -8.140 1.100 -0.900 1.00 0.00 C ATOM 490 O TYR A 32 -7.595 0.026 -1.067 1.00 0.00 O ATOM 491 CB TYR A 32 -8.421 2.194 -3.188 1.00 0.00 C ATOM 492 CG TYR A 32 -8.427 0.766 -3.674 1.00 0.00 C ATOM 493 CD1 TYR A 32 -9.229 -0.186 -3.042 1.00 0.00 C ATOM 494 CD2 TYR A 32 -7.643 0.405 -4.775 1.00 0.00 C ATOM 495 CE1 TYR A 32 -9.246 -1.506 -3.505 1.00 0.00 C ATOM 496 CE2 TYR A 32 -7.660 -0.916 -5.241 1.00 0.00 C ATOM 497 CZ TYR A 32 -8.462 -1.871 -4.606 1.00 0.00 C ATOM 498 OH TYR A 32 -8.481 -3.173 -5.065 1.00 0.00 O ATOM 0 H TYR A 32 -5.853 1.481 -2.070 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.205 3.175 -1.272 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.441 2.579 -3.170 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.858 2.815 -3.885 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.837 0.097 -2.195 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.026 1.143 -5.265 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -9.864 -2.243 -3.013 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.054 -1.197 -6.090 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.882 -3.257 -5.836 1.00 0.00 H new ATOM 508 N PRO A 33 -9.012 1.346 0.043 1.00 0.00 N ATOM 509 CA PRO A 33 -9.423 0.298 1.015 1.00 0.00 C ATOM 510 C PRO A 33 -10.216 -0.820 0.333 1.00 0.00 C ATOM 511 O PRO A 33 -10.796 -0.635 -0.717 1.00 0.00 O ATOM 512 CB PRO A 33 -10.289 1.060 2.012 1.00 0.00 C ATOM 513 CG PRO A 33 -10.789 2.237 1.251 1.00 0.00 C ATOM 514 CD PRO A 33 -9.702 2.614 0.286 1.00 0.00 C ATOM 0 HA PRO A 33 -8.573 -0.200 1.482 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.112 0.444 2.375 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.712 1.368 2.884 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.710 1.994 0.722 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.016 3.065 1.922 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.109 3.033 -0.634 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.031 3.362 0.708 1.00 0.00 H new ATOM 522 N THR A 34 -10.242 -1.981 0.927 1.00 0.00 N ATOM 523 CA THR A 34 -10.989 -3.116 0.316 1.00 0.00 C ATOM 524 C THR A 34 -12.244 -3.432 1.135 1.00 0.00 C ATOM 525 O THR A 34 -12.724 -2.615 1.896 1.00 0.00 O ATOM 526 CB THR A 34 -10.009 -4.293 0.358 1.00 0.00 C ATOM 527 OG1 THR A 34 -9.920 -4.789 1.687 1.00 0.00 O ATOM 528 CG2 THR A 34 -8.626 -3.830 -0.104 1.00 0.00 C ATOM 0 H THR A 34 -9.778 -2.193 1.810 1.00 0.00 H new ATOM 0 HA THR A 34 -11.324 -2.894 -0.697 1.00 0.00 H new ATOM 0 HB THR A 34 -10.366 -5.082 -0.304 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.986 -4.765 1.983 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.932 -4.670 -0.073 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.691 -3.451 -1.124 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.268 -3.039 0.555 1.00 0.00 H new ATOM 640 N GLY A 42 -7.807 -5.605 3.057 1.00 0.00 N ATOM 641 CA GLY A 42 -7.193 -4.536 3.896 1.00 0.00 C ATOM 642 C GLY A 42 -6.963 -3.282 3.051 1.00 0.00 C ATOM 643 O GLY A 42 -7.869 -2.773 2.420 1.00 0.00 O ATOM 0 HA2 GLY A 42 -7.844 -4.303 4.739 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.247 -4.885 4.311 1.00 0.00 H new ATOM 647 N VAL A 43 -5.759 -2.778 3.030 1.00 0.00 N ATOM 648 CA VAL A 43 -5.478 -1.558 2.221 1.00 0.00 C ATOM 649 C VAL A 43 -4.513 -1.891 1.086 1.00 0.00 C ATOM 650 O VAL A 43 -3.443 -2.420 1.303 1.00 0.00 O ATOM 651 CB VAL A 43 -4.841 -0.562 3.196 1.00 0.00 C ATOM 652 CG1 VAL A 43 -3.854 0.337 2.447 1.00 0.00 C ATOM 653 CG2 VAL A 43 -5.934 0.313 3.808 1.00 0.00 C ATOM 0 H VAL A 43 -4.959 -3.157 3.537 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.380 -1.152 1.764 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.317 -1.112 3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.404 1.043 3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.073 -0.276 1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.381 0.885 1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.485 1.023 4.502 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.451 0.856 3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.647 -0.315 4.342 1.00 0.00 H new ATOM 663 N ILE A 44 -4.878 -1.573 -0.122 1.00 0.00 N ATOM 664 CA ILE A 44 -3.973 -1.861 -1.264 1.00 0.00 C ATOM 665 C ILE A 44 -3.416 -0.551 -1.816 1.00 0.00 C ATOM 666 O ILE A 44 -4.105 0.449 -1.873 1.00 0.00 O ATOM 667 CB ILE A 44 -4.848 -2.562 -2.301 1.00 0.00 C ATOM 668 CG1 ILE A 44 -5.744 -1.531 -2.987 1.00 0.00 C ATOM 669 CG2 ILE A 44 -5.718 -3.614 -1.612 1.00 0.00 C ATOM 670 CD1 ILE A 44 -5.062 -1.030 -4.260 1.00 0.00 C ATOM 0 H ILE A 44 -5.762 -1.127 -0.367 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.121 -2.479 -0.981 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.214 -3.047 -3.043 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.709 -1.976 -3.230 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.938 -0.697 -2.313 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.342 -4.113 -2.354 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.080 -4.349 -1.121 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.353 -3.131 -0.870 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.701 -0.295 -4.750 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.108 -0.569 -4.004 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.891 -1.868 -4.935 1.00 0.00 H new ATOM 682 N PHE A 45 -2.175 -0.537 -2.207 1.00 0.00 N ATOM 683 CA PHE A 45 -1.584 0.718 -2.733 1.00 0.00 C ATOM 684 C PHE A 45 -1.339 0.614 -4.239 1.00 0.00 C ATOM 685 O PHE A 45 -0.942 -0.417 -4.745 1.00 0.00 O ATOM 686 CB PHE A 45 -0.248 0.851 -2.004 1.00 0.00 C ATOM 687 CG PHE A 45 -0.482 1.094 -0.533 1.00 0.00 C ATOM 688 CD1 PHE A 45 -0.724 2.390 -0.070 1.00 0.00 C ATOM 689 CD2 PHE A 45 -0.450 0.021 0.367 1.00 0.00 C ATOM 690 CE1 PHE A 45 -0.935 2.618 1.295 1.00 0.00 C ATOM 691 CE2 PHE A 45 -0.661 0.248 1.731 1.00 0.00 C ATOM 692 CZ PHE A 45 -0.903 1.546 2.194 1.00 0.00 C ATOM 0 H PHE A 45 -1.546 -1.340 -2.185 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.242 1.573 -2.575 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.342 -0.055 -2.142 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.327 1.673 -2.429 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.748 3.216 -0.765 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.263 -0.980 0.008 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.122 3.619 1.654 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.637 -0.578 2.426 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.065 1.721 3.247 1.00 0.00 H new ATOM 702 N LEU A 46 -1.549 1.683 -4.952 1.00 0.00 N ATOM 703 CA LEU A 46 -1.305 1.659 -6.418 1.00 0.00 C ATOM 704 C LEU A 46 -0.075 2.511 -6.731 1.00 0.00 C ATOM 705 O LEU A 46 -0.002 3.669 -6.368 1.00 0.00 O ATOM 706 CB LEU A 46 -2.555 2.271 -7.049 1.00 0.00 C ATOM 707 CG LEU A 46 -3.351 1.184 -7.773 1.00 0.00 C ATOM 708 CD1 LEU A 46 -2.406 0.352 -8.641 1.00 0.00 C ATOM 709 CD2 LEU A 46 -4.029 0.277 -6.744 1.00 0.00 C ATOM 0 H LEU A 46 -1.880 2.574 -4.582 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.122 0.654 -6.798 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.172 2.736 -6.280 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.273 3.057 -7.750 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.109 1.649 -8.404 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.973 -0.423 -9.157 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.923 0.997 -9.375 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.647 -0.113 -8.011 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.596 -0.498 -7.260 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.271 -0.187 -6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.703 0.869 -6.125 1.00 0.00 H new ATOM 721 N THR A 47 0.897 1.948 -7.386 1.00 0.00 N ATOM 722 CA THR A 47 2.127 2.727 -7.702 1.00 0.00 C ATOM 723 C THR A 47 1.780 3.942 -8.560 1.00 0.00 C ATOM 724 O THR A 47 0.669 4.427 -8.544 1.00 0.00 O ATOM 725 CB THR A 47 3.028 1.765 -8.479 1.00 0.00 C ATOM 726 OG1 THR A 47 2.525 1.611 -9.804 1.00 0.00 O ATOM 727 CG2 THR A 47 3.054 0.406 -7.778 1.00 0.00 C ATOM 0 H THR A 47 0.895 0.983 -7.717 1.00 0.00 H new ATOM 0 HA THR A 47 2.614 3.101 -6.802 1.00 0.00 H new ATOM 0 HB THR A 47 4.040 2.168 -8.519 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.237 1.275 -10.387 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.696 -0.278 -8.333 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.441 0.526 -6.766 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.044 -0.000 -7.735 1.00 0.00 H new ATOM 735 N LYS A 48 2.726 4.425 -9.314 1.00 0.00 N ATOM 736 CA LYS A 48 2.462 5.595 -10.197 1.00 0.00 C ATOM 737 C LYS A 48 2.430 5.120 -11.648 1.00 0.00 C ATOM 738 O LYS A 48 2.472 5.902 -12.577 1.00 0.00 O ATOM 739 CB LYS A 48 3.634 6.551 -9.968 1.00 0.00 C ATOM 740 CG LYS A 48 3.294 7.512 -8.827 1.00 0.00 C ATOM 741 CD LYS A 48 4.494 8.421 -8.551 1.00 0.00 C ATOM 742 CE LYS A 48 4.210 9.278 -7.314 1.00 0.00 C ATOM 743 NZ LYS A 48 4.035 10.661 -7.838 1.00 0.00 N ATOM 0 H LYS A 48 3.677 4.058 -9.357 1.00 0.00 H new ATOM 0 HA LYS A 48 1.510 6.082 -9.983 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.535 5.987 -9.726 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.843 7.111 -10.879 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.423 8.112 -9.090 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.035 6.951 -7.929 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.390 7.821 -8.393 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.686 9.060 -9.413 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.315 8.936 -6.794 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.033 9.227 -6.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.837 11.309 -7.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.905 10.961 -8.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.241 10.680 -8.509 1.00 0.00 H new ATOM 757 N ARG A 49 2.366 3.831 -11.840 1.00 0.00 N ATOM 758 CA ARG A 49 2.340 3.272 -13.217 1.00 0.00 C ATOM 759 C ARG A 49 1.119 2.368 -13.402 1.00 0.00 C ATOM 760 O ARG A 49 0.109 2.774 -13.943 1.00 0.00 O ATOM 761 CB ARG A 49 3.630 2.459 -13.321 1.00 0.00 C ATOM 762 CG ARG A 49 4.752 3.350 -13.858 1.00 0.00 C ATOM 763 CD ARG A 49 4.692 3.382 -15.387 1.00 0.00 C ATOM 764 NE ARG A 49 4.483 4.815 -15.735 1.00 0.00 N ATOM 765 CZ ARG A 49 5.079 5.328 -16.775 1.00 0.00 C ATOM 766 NH1 ARG A 49 4.666 5.029 -17.977 1.00 0.00 N ATOM 767 NH2 ARG A 49 6.088 6.141 -16.616 1.00 0.00 N ATOM 0 H ARG A 49 2.330 3.137 -11.094 1.00 0.00 H new ATOM 0 HA ARG A 49 2.274 4.046 -13.982 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.902 2.062 -12.343 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.482 1.605 -13.981 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.652 4.359 -13.458 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.720 2.972 -13.529 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.613 3.000 -15.826 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.878 2.762 -15.763 1.00 0.00 H new ATOM 0 HE ARG A 49 3.873 5.396 -15.159 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.877 4.394 -18.102 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.132 5.430 -18.791 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.411 6.376 -15.677 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.553 6.542 -17.430 1.00 0.00 H new ATOM 781 N GLY A 50 1.205 1.146 -12.957 1.00 0.00 N ATOM 782 CA GLY A 50 0.053 0.214 -13.105 1.00 0.00 C ATOM 783 C GLY A 50 0.240 -0.985 -12.175 1.00 0.00 C ATOM 784 O GLY A 50 -0.312 -2.046 -12.394 1.00 0.00 O ATOM 0 H GLY A 50 2.025 0.752 -12.496 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.878 0.730 -12.867 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.024 -0.123 -14.139 1.00 0.00 H new ATOM 788 N ARG A 51 1.013 -0.828 -11.136 1.00 0.00 N ATOM 789 CA ARG A 51 1.230 -1.960 -10.190 1.00 0.00 C ATOM 790 C ARG A 51 0.417 -1.739 -8.913 1.00 0.00 C ATOM 791 O ARG A 51 0.330 -0.638 -8.404 1.00 0.00 O ATOM 792 CB ARG A 51 2.729 -1.940 -9.883 1.00 0.00 C ATOM 793 CG ARG A 51 3.465 -2.844 -10.873 1.00 0.00 C ATOM 794 CD ARG A 51 4.974 -2.624 -10.742 1.00 0.00 C ATOM 795 NE ARG A 51 5.463 -3.777 -9.937 1.00 0.00 N ATOM 796 CZ ARG A 51 6.400 -3.598 -9.045 1.00 0.00 C ATOM 797 NH1 ARG A 51 7.637 -3.431 -9.425 1.00 0.00 N ATOM 798 NH2 ARG A 51 6.098 -3.587 -7.776 1.00 0.00 N ATOM 0 H ARG A 51 1.504 0.035 -10.901 1.00 0.00 H new ATOM 0 HA ARG A 51 0.914 -2.916 -10.608 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.111 -0.921 -9.951 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.907 -2.280 -8.863 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.221 -3.888 -10.679 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.142 -2.625 -11.891 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.455 -2.593 -11.720 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.193 -1.677 -10.249 1.00 0.00 H new ATOM 0 HE ARG A 51 5.067 -4.706 -10.082 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.871 -3.440 -10.418 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.370 -3.291 -8.729 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.130 -3.718 -7.481 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.829 -3.447 -7.079 1.00 0.00 H new ATOM 812 N GLN A 52 -0.188 -2.771 -8.395 1.00 0.00 N ATOM 813 CA GLN A 52 -1.001 -2.616 -7.162 1.00 0.00 C ATOM 814 C GLN A 52 -0.306 -3.292 -5.976 1.00 0.00 C ATOM 815 O GLN A 52 0.514 -4.173 -6.142 1.00 0.00 O ATOM 816 CB GLN A 52 -2.319 -3.320 -7.476 1.00 0.00 C ATOM 817 CG GLN A 52 -2.673 -3.129 -8.953 1.00 0.00 C ATOM 818 CD GLN A 52 -4.168 -2.833 -9.087 1.00 0.00 C ATOM 819 OE1 GLN A 52 -4.554 -1.855 -9.696 1.00 0.00 O ATOM 820 NE2 GLN A 52 -5.032 -3.643 -8.538 1.00 0.00 N ATOM 0 H GLN A 52 -0.153 -3.717 -8.775 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.144 -1.570 -6.890 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.237 -4.383 -7.247 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.114 -2.919 -6.848 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.090 -2.310 -9.374 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.417 -4.025 -9.518 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.708 -4.464 -8.027 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.031 -3.455 -8.620 1.00 0.00 H new ATOM 829 N VAL A 53 -0.631 -2.881 -4.783 1.00 0.00 N ATOM 830 CA VAL A 53 -0.001 -3.488 -3.582 1.00 0.00 C ATOM 831 C VAL A 53 -1.064 -3.729 -2.506 1.00 0.00 C ATOM 832 O VAL A 53 -2.110 -3.114 -2.511 1.00 0.00 O ATOM 833 CB VAL A 53 1.018 -2.446 -3.118 1.00 0.00 C ATOM 834 CG1 VAL A 53 1.177 -2.523 -1.603 1.00 0.00 C ATOM 835 CG2 VAL A 53 2.368 -2.722 -3.785 1.00 0.00 C ATOM 0 H VAL A 53 -1.311 -2.146 -4.589 1.00 0.00 H new ATOM 0 HA VAL A 53 0.466 -4.452 -3.786 1.00 0.00 H new ATOM 0 HB VAL A 53 0.669 -1.451 -3.395 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.904 -1.780 -1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.217 -2.327 -1.126 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.524 -3.518 -1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.095 -1.980 -3.455 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.714 -3.718 -3.508 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.257 -2.665 -4.868 1.00 0.00 H new ATOM 845 N CYS A 54 -0.808 -4.621 -1.587 1.00 0.00 N ATOM 846 CA CYS A 54 -1.806 -4.899 -0.517 1.00 0.00 C ATOM 847 C CYS A 54 -1.101 -5.057 0.830 1.00 0.00 C ATOM 848 O CYS A 54 -0.277 -5.933 1.006 1.00 0.00 O ATOM 849 CB CYS A 54 -2.462 -6.212 -0.931 1.00 0.00 C ATOM 850 SG CYS A 54 -4.189 -6.221 -0.394 1.00 0.00 S ATOM 0 H CYS A 54 0.050 -5.169 -1.532 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.532 -4.094 -0.404 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.406 -6.333 -2.013 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.928 -7.053 -0.488 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.748 -7.340 -0.749 1.00 0.00 H new ATOM 855 N ALA A 55 -1.408 -4.222 1.786 1.00 0.00 N ATOM 856 CA ALA A 55 -0.737 -4.343 3.110 1.00 0.00 C ATOM 857 C ALA A 55 -1.723 -4.051 4.243 1.00 0.00 C ATOM 858 O ALA A 55 -2.801 -3.533 4.027 1.00 0.00 O ATOM 859 CB ALA A 55 0.371 -3.295 3.080 1.00 0.00 C ATOM 0 H ALA A 55 -2.089 -3.467 1.708 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.351 -5.347 3.286 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.918 -3.317 4.023 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.054 -3.511 2.259 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.067 -2.307 2.937 1.00 0.00 H new ATOM 865 N ASP A 56 -1.357 -4.380 5.452 1.00 0.00 N ATOM 866 CA ASP A 56 -2.265 -4.123 6.606 1.00 0.00 C ATOM 867 C ASP A 56 -2.119 -2.675 7.078 1.00 0.00 C ATOM 868 O ASP A 56 -1.083 -2.272 7.567 1.00 0.00 O ATOM 869 CB ASP A 56 -1.801 -5.090 7.695 1.00 0.00 C ATOM 870 CG ASP A 56 -2.892 -5.223 8.759 1.00 0.00 C ATOM 871 OD1 ASP A 56 -3.895 -4.539 8.640 1.00 0.00 O ATOM 872 OD2 ASP A 56 -2.706 -6.006 9.676 1.00 0.00 O ATOM 0 H ASP A 56 -0.467 -4.817 5.691 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.314 -4.270 6.349 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.581 -6.065 7.261 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.878 -4.728 8.148 1.00 0.00 H new ATOM 877 N LYS A 57 -3.150 -1.887 6.934 1.00 0.00 N ATOM 878 CA LYS A 57 -3.069 -0.465 7.374 1.00 0.00 C ATOM 879 C LYS A 57 -2.419 -0.373 8.757 1.00 0.00 C ATOM 880 O LYS A 57 -1.867 0.644 9.128 1.00 0.00 O ATOM 881 CB LYS A 57 -4.519 0.020 7.431 1.00 0.00 C ATOM 882 CG LYS A 57 -5.414 -1.093 7.982 1.00 0.00 C ATOM 883 CD LYS A 57 -6.231 -1.705 6.841 1.00 0.00 C ATOM 884 CE LYS A 57 -7.723 -1.504 7.114 1.00 0.00 C ATOM 885 NZ LYS A 57 -8.070 -2.536 8.132 1.00 0.00 N ATOM 0 H LYS A 57 -4.044 -2.166 6.531 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.464 0.139 6.698 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.592 0.905 8.063 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.855 0.311 6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.805 -1.861 8.460 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.080 -0.693 8.746 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.958 -1.239 5.894 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.008 -2.768 6.749 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.925 -0.499 7.486 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.311 -1.632 6.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.861 -3.115 7.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.245 -3.145 8.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.347 -2.069 9.019 1.00 0.00 H new ATOM 899 N SER A 58 -2.481 -1.428 9.525 1.00 0.00 N ATOM 900 CA SER A 58 -1.868 -1.398 10.884 1.00 0.00 C ATOM 901 C SER A 58 -0.342 -1.403 10.780 1.00 0.00 C ATOM 902 O SER A 58 0.358 -1.297 11.768 1.00 0.00 O ATOM 903 CB SER A 58 -2.365 -2.670 11.566 1.00 0.00 C ATOM 904 OG SER A 58 -1.857 -3.803 10.874 1.00 0.00 O ATOM 0 H SER A 58 -2.929 -2.308 9.270 1.00 0.00 H new ATOM 0 HA SER A 58 -2.141 -0.502 11.441 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.040 -2.689 12.606 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.455 -2.691 11.572 1.00 0.00 H new ATOM 0 HG SER A 58 -2.037 -4.613 11.396 1.00 0.00 H new ATOM 910 N LYS A 59 0.180 -1.523 9.592 1.00 0.00 N ATOM 911 CA LYS A 59 1.661 -1.530 9.427 1.00 0.00 C ATOM 912 C LYS A 59 2.212 -0.113 9.561 1.00 0.00 C ATOM 913 O LYS A 59 1.859 0.774 8.815 1.00 0.00 O ATOM 914 CB LYS A 59 1.897 -2.063 8.017 1.00 0.00 C ATOM 915 CG LYS A 59 2.235 -3.553 8.080 1.00 0.00 C ATOM 916 CD LYS A 59 3.618 -3.737 8.708 1.00 0.00 C ATOM 917 CE LYS A 59 3.465 -4.218 10.152 1.00 0.00 C ATOM 918 NZ LYS A 59 4.339 -5.420 10.252 1.00 0.00 N ATOM 0 H LYS A 59 -0.354 -1.617 8.728 1.00 0.00 H new ATOM 0 HA LYS A 59 2.159 -2.138 10.183 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.008 -1.907 7.405 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.711 -1.515 7.542 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.484 -4.082 8.667 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.219 -3.983 7.079 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.197 -4.460 8.133 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.168 -2.796 8.684 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.771 -3.447 10.859 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.428 -4.464 10.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.287 -5.808 11.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.019 -6.139 9.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.321 -5.154 10.038 1.00 0.00 H new ATOM 932 N ASP A 60 3.076 0.102 10.507 1.00 0.00 N ATOM 933 CA ASP A 60 3.656 1.460 10.698 1.00 0.00 C ATOM 934 C ASP A 60 4.050 2.067 9.348 1.00 0.00 C ATOM 935 O ASP A 60 3.585 3.127 8.977 1.00 0.00 O ATOM 936 CB ASP A 60 4.892 1.233 11.566 1.00 0.00 C ATOM 937 CG ASP A 60 4.506 1.340 13.042 1.00 0.00 C ATOM 938 OD1 ASP A 60 3.631 2.133 13.350 1.00 0.00 O ATOM 939 OD2 ASP A 60 5.093 0.628 13.841 1.00 0.00 O ATOM 0 H ASP A 60 3.409 -0.606 11.161 1.00 0.00 H new ATOM 0 HA ASP A 60 2.951 2.152 11.158 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.318 0.251 11.361 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.659 1.970 11.325 1.00 0.00 H new ATOM 944 N TRP A 61 4.904 1.410 8.612 1.00 0.00 N ATOM 945 CA TRP A 61 5.324 1.961 7.291 1.00 0.00 C ATOM 946 C TRP A 61 4.100 2.219 6.413 1.00 0.00 C ATOM 947 O TRP A 61 4.006 3.228 5.739 1.00 0.00 O ATOM 948 CB TRP A 61 6.226 0.888 6.679 1.00 0.00 C ATOM 949 CG TRP A 61 5.405 -0.202 6.069 1.00 0.00 C ATOM 950 CD1 TRP A 61 4.987 -1.308 6.718 1.00 0.00 C ATOM 951 CD2 TRP A 61 4.911 -0.320 4.702 1.00 0.00 C ATOM 952 NE1 TRP A 61 4.276 -2.105 5.840 1.00 0.00 N ATOM 953 CE2 TRP A 61 4.200 -1.537 4.583 1.00 0.00 C ATOM 954 CE3 TRP A 61 5.011 0.500 3.566 1.00 0.00 C ATOM 955 CZ2 TRP A 61 3.613 -1.927 3.378 1.00 0.00 C ATOM 956 CZ3 TRP A 61 4.418 0.111 2.353 1.00 0.00 C ATOM 957 CH2 TRP A 61 3.722 -1.103 2.260 1.00 0.00 C ATOM 0 H TRP A 61 5.328 0.518 8.867 1.00 0.00 H new ATOM 0 HA TRP A 61 5.845 2.914 7.385 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.869 1.335 5.921 1.00 0.00 H new ATOM 0 HB3 TRP A 61 6.879 0.473 7.446 1.00 0.00 H new ATOM 0 HD1 TRP A 61 5.177 -1.535 7.757 1.00 0.00 H new ATOM 0 HE1 TRP A 61 3.859 -3.002 6.090 1.00 0.00 H new ATOM 0 HE3 TRP A 61 5.547 1.436 3.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.077 -2.862 3.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 4.499 0.751 1.487 1.00 0.00 H new ATOM 0 HH2 TRP A 61 3.272 -1.398 1.324 1.00 0.00 H new ATOM 968 N VAL A 62 3.152 1.326 6.425 1.00 0.00 N ATOM 969 CA VAL A 62 1.934 1.532 5.605 1.00 0.00 C ATOM 970 C VAL A 62 1.187 2.775 6.095 1.00 0.00 C ATOM 971 O VAL A 62 0.871 3.662 5.328 1.00 0.00 O ATOM 972 CB VAL A 62 1.110 0.267 5.819 1.00 0.00 C ATOM 973 CG1 VAL A 62 -0.371 0.603 5.725 1.00 0.00 C ATOM 974 CG2 VAL A 62 1.460 -0.749 4.734 1.00 0.00 C ATOM 0 H VAL A 62 3.170 0.463 6.968 1.00 0.00 H new ATOM 0 HA VAL A 62 2.150 1.695 4.549 1.00 0.00 H new ATOM 0 HB VAL A 62 1.330 -0.148 6.803 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.960 -0.301 5.878 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.627 1.336 6.490 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.589 1.015 4.740 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.874 -1.656 4.882 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.235 -0.327 3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.522 -0.990 4.790 1.00 0.00 H new ATOM 984 N LYS A 63 0.912 2.856 7.367 1.00 0.00 N ATOM 985 CA LYS A 63 0.205 4.045 7.892 1.00 0.00 C ATOM 986 C LYS A 63 0.794 5.301 7.252 1.00 0.00 C ATOM 987 O LYS A 63 0.078 6.174 6.803 1.00 0.00 O ATOM 988 CB LYS A 63 0.470 4.011 9.395 1.00 0.00 C ATOM 989 CG LYS A 63 -0.711 4.635 10.129 1.00 0.00 C ATOM 990 CD LYS A 63 -0.250 5.172 11.485 1.00 0.00 C ATOM 991 CE LYS A 63 -1.431 5.182 12.459 1.00 0.00 C ATOM 992 NZ LYS A 63 -1.623 3.756 12.843 1.00 0.00 N ATOM 0 H LYS A 63 1.148 2.147 8.062 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.863 4.049 7.675 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.617 2.983 9.727 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.386 4.555 9.627 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.137 5.442 9.533 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.497 3.893 10.269 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.555 4.552 11.879 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.150 6.179 11.372 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.219 5.801 13.331 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.327 5.589 11.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.613 3.483 12.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.000 3.155 12.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.390 3.633 13.849 1.00 0.00 H new ATOM 1006 N LYS A 64 2.094 5.385 7.178 1.00 0.00 N ATOM 1007 CA LYS A 64 2.715 6.572 6.532 1.00 0.00 C ATOM 1008 C LYS A 64 2.216 6.651 5.091 1.00 0.00 C ATOM 1009 O LYS A 64 1.888 7.707 4.589 1.00 0.00 O ATOM 1010 CB LYS A 64 4.221 6.313 6.569 1.00 0.00 C ATOM 1011 CG LYS A 64 4.926 7.260 5.595 1.00 0.00 C ATOM 1012 CD LYS A 64 4.924 8.678 6.171 1.00 0.00 C ATOM 1013 CE LYS A 64 5.046 9.693 5.033 1.00 0.00 C ATOM 1014 NZ LYS A 64 4.423 10.938 5.562 1.00 0.00 N ATOM 0 H LYS A 64 2.748 4.688 7.534 1.00 0.00 H new ATOM 0 HA LYS A 64 2.468 7.510 7.029 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.602 6.464 7.579 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.429 5.277 6.301 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.950 6.927 5.424 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.421 7.248 4.629 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.005 8.853 6.731 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.751 8.799 6.870 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.088 9.858 4.761 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.533 9.345 4.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.558 11.711 4.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.406 10.781 5.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.870 11.193 6.466 1.00 0.00 H new ATOM 1028 N LEU A 65 2.138 5.527 4.429 1.00 0.00 N ATOM 1029 CA LEU A 65 1.638 5.522 3.027 1.00 0.00 C ATOM 1030 C LEU A 65 0.218 6.087 2.994 1.00 0.00 C ATOM 1031 O LEU A 65 -0.054 7.077 2.352 1.00 0.00 O ATOM 1032 CB LEU A 65 1.629 4.046 2.601 1.00 0.00 C ATOM 1033 CG LEU A 65 3.040 3.571 2.225 1.00 0.00 C ATOM 1034 CD1 LEU A 65 2.935 2.484 1.162 1.00 0.00 C ATOM 1035 CD2 LEU A 65 3.865 4.721 1.656 1.00 0.00 C ATOM 0 H LEU A 65 2.399 4.614 4.800 1.00 0.00 H new ATOM 0 HA LEU A 65 2.255 6.128 2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.240 3.432 3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.959 3.913 1.752 1.00 0.00 H new ATOM 0 HG LEU A 65 3.526 3.190 3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.934 2.143 0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.359 1.646 1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.437 2.885 0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.861 4.361 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.377 5.112 0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.948 5.513 2.401 1.00 0.00 H new ATOM 1064 N GLN A 67 -1.105 7.875 4.807 1.00 0.00 N ATOM 1065 CA GLN A 67 -1.096 9.285 5.295 1.00 0.00 C ATOM 1066 C GLN A 67 -0.724 10.240 4.156 1.00 0.00 C ATOM 1067 O GLN A 67 -1.306 11.295 4.003 1.00 0.00 O ATOM 1068 CB GLN A 67 -0.030 9.318 6.391 1.00 0.00 C ATOM 1069 CG GLN A 67 -0.686 9.662 7.729 1.00 0.00 C ATOM 1070 CD GLN A 67 -1.558 10.907 7.564 1.00 0.00 C ATOM 1071 OE1 GLN A 67 -2.596 11.024 8.185 1.00 0.00 O ATOM 1072 NE2 GLN A 67 -1.178 11.852 6.748 1.00 0.00 N ATOM 0 HA GLN A 67 -2.072 9.599 5.665 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.470 8.352 6.457 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.734 10.056 6.148 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.291 8.824 8.075 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.078 9.838 8.486 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.307 11.755 6.226 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.752 12.687 6.632 1.00 0.00 H new ATOM 1081 N GLN A 68 0.244 9.879 3.360 1.00 0.00 N ATOM 1082 CA GLN A 68 0.658 10.766 2.234 1.00 0.00 C ATOM 1083 C GLN A 68 -0.138 10.434 0.969 1.00 0.00 C ATOM 1084 O GLN A 68 -0.326 11.266 0.104 1.00 0.00 O ATOM 1085 CB GLN A 68 2.140 10.457 2.023 1.00 0.00 C ATOM 1086 CG GLN A 68 2.986 11.382 2.900 1.00 0.00 C ATOM 1087 CD GLN A 68 2.915 12.809 2.354 1.00 0.00 C ATOM 1088 OE1 GLN A 68 3.031 13.024 1.164 1.00 0.00 O ATOM 1089 NE2 GLN A 68 2.728 13.802 3.181 1.00 0.00 N ATOM 0 H GLN A 68 0.768 9.007 3.440 1.00 0.00 H new ATOM 0 HA GLN A 68 0.479 11.819 2.452 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.344 9.416 2.272 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.404 10.591 0.974 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.625 11.356 3.928 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.020 11.039 2.917 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.631 13.622 4.180 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.679 14.758 2.828 1.00 0.00 H new ATOM 1098 N LEU A 69 -0.593 9.221 0.854 1.00 0.00 N ATOM 1099 CA LEU A 69 -1.364 8.816 -0.353 1.00 0.00 C ATOM 1100 C LEU A 69 -2.862 9.057 -0.138 1.00 0.00 C ATOM 1101 O LEU A 69 -3.363 8.917 0.960 1.00 0.00 O ATOM 1102 CB LEU A 69 -1.091 7.319 -0.514 1.00 0.00 C ATOM 1103 CG LEU A 69 0.373 7.002 -0.205 1.00 0.00 C ATOM 1104 CD1 LEU A 69 0.493 5.541 0.224 1.00 0.00 C ATOM 1105 CD2 LEU A 69 1.221 7.223 -1.455 1.00 0.00 C ATOM 0 H LEU A 69 -0.464 8.486 1.549 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.071 9.388 -1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.740 6.752 0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.329 7.008 -1.531 1.00 0.00 H new ATOM 0 HG LEU A 69 0.722 7.655 0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.535 5.311 0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.113 5.372 1.114 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.142 4.895 -0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.264 6.996 -1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.870 6.569 -2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.136 8.262 -1.774 1.00 0.00 H new ATOM 1117 N PRO A 70 -3.523 9.405 -1.206 1.00 0.00 N ATOM 1118 CA PRO A 70 -4.978 9.662 -1.155 1.00 0.00 C ATOM 1119 C PRO A 70 -5.754 8.344 -1.278 1.00 0.00 C ATOM 1120 O PRO A 70 -5.511 7.552 -2.165 1.00 0.00 O ATOM 1121 CB PRO A 70 -5.221 10.546 -2.372 1.00 0.00 C ATOM 1122 CG PRO A 70 -4.108 10.232 -3.329 1.00 0.00 C ATOM 1123 CD PRO A 70 -2.980 9.595 -2.551 1.00 0.00 C ATOM 0 HA PRO A 70 -5.303 10.124 -0.223 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.193 10.338 -2.820 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.216 11.601 -2.097 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.458 9.558 -4.111 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -3.763 11.141 -3.822 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -2.678 8.646 -2.995 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.098 10.235 -2.536 1.00 0.00 H new ATOM 1131 N VAL A 71 -6.686 8.104 -0.396 1.00 0.00 N ATOM 1132 CA VAL A 71 -7.473 6.837 -0.468 1.00 0.00 C ATOM 1133 C VAL A 71 -8.296 6.799 -1.759 1.00 0.00 C ATOM 1134 O VAL A 71 -9.466 7.127 -1.768 1.00 0.00 O ATOM 1135 CB VAL A 71 -8.396 6.870 0.746 1.00 0.00 C ATOM 1136 CG1 VAL A 71 -9.104 8.224 0.802 1.00 0.00 C ATOM 1137 CG2 VAL A 71 -9.438 5.757 0.625 1.00 0.00 C ATOM 0 H VAL A 71 -6.937 8.728 0.370 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.831 5.956 -0.469 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.812 6.722 1.654 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.765 8.253 1.668 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.363 9.019 0.884 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -9.689 8.366 -0.106 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.098 5.780 1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.025 5.905 -0.281 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.935 4.791 0.578 1.00 0.00 H new ATOM 1147 N THR A 72 -7.694 6.401 -2.845 1.00 0.00 N ATOM 1148 CA THR A 72 -8.442 6.338 -4.134 1.00 0.00 C ATOM 1149 C THR A 72 -9.848 5.777 -3.902 1.00 0.00 C ATOM 1150 O THR A 72 -10.133 5.199 -2.872 1.00 0.00 O ATOM 1151 CB THR A 72 -7.625 5.394 -5.021 1.00 0.00 C ATOM 1152 OG1 THR A 72 -6.246 5.715 -4.905 1.00 0.00 O ATOM 1153 CG2 THR A 72 -8.066 5.548 -6.477 1.00 0.00 C ATOM 0 H THR A 72 -6.716 6.116 -2.897 1.00 0.00 H new ATOM 0 HA THR A 72 -8.564 7.320 -4.590 1.00 0.00 H new ATOM 0 HB THR A 72 -7.788 4.364 -4.703 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.721 5.111 -5.471 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.483 4.875 -7.107 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.124 5.302 -6.565 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.905 6.577 -6.799 1.00 0.00 H new