USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 518 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 54 SER OG : rot -32:sc= 1.06 USER MOD Set 1.2: A 56 THR OG1 : rot 62:sc= 0.75 USER MOD Set 2.1: A 27 CYS SG : rot -61:sc= 0.354 USER MOD Set 2.2: A 28 CYS SG : rot -14:sc= 0.285 USER MOD Single : A 17 GLN : amide:sc= -0.408 K(o=-0.41,f=-1.1) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 11:sc= 0.195 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 17:sc= 0.604! USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -3.46! K(o=-3.5!,f=-1.6) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -44:sc= 0.843 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -2.07! C(o=-2.1!,f=-5!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 170:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.235 X(o=-0.23,f=-0.2) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -2.49 K(o=-2.5,f=-0.86) USER MOD Single : A 83 ASN : amide:sc= -2.64! K(o=-2.6!,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 275 N GLN A 17 8.448 -2.306 -6.622 1.00 0.00 N ATOM 276 CA GLN A 17 8.607 -3.320 -5.577 1.00 0.00 C ATOM 277 C GLN A 17 7.367 -3.373 -4.694 1.00 0.00 C ATOM 278 O GLN A 17 6.981 -2.377 -4.081 1.00 0.00 O ATOM 279 CB GLN A 17 9.829 -2.993 -4.715 1.00 0.00 C ATOM 280 CG GLN A 17 11.094 -3.069 -5.570 1.00 0.00 C ATOM 281 CD GLN A 17 11.351 -4.508 -5.998 1.00 0.00 C ATOM 282 OE1 GLN A 17 10.802 -4.968 -7.000 1.00 0.00 O ATOM 283 NE2 GLN A 17 12.156 -5.254 -5.292 1.00 0.00 N ATOM 0 HA GLN A 17 8.745 -4.290 -6.055 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.728 -1.996 -4.285 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.898 -3.693 -3.883 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.987 -2.434 -6.449 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.947 -2.691 -5.006 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.610 -4.871 -4.463 1.00 0.00 H new ATOM 0 HE22 GLN A 17 12.331 -6.220 -5.570 1.00 0.00 H new ATOM 292 N LYS A 18 6.747 -4.550 -4.631 1.00 0.00 N ATOM 293 CA LYS A 18 5.547 -4.744 -3.818 1.00 0.00 C ATOM 294 C LYS A 18 5.914 -5.385 -2.485 1.00 0.00 C ATOM 295 O LYS A 18 6.774 -6.262 -2.424 1.00 0.00 O ATOM 296 CB LYS A 18 4.551 -5.633 -4.564 1.00 0.00 C ATOM 297 CG LYS A 18 5.194 -6.986 -4.871 1.00 0.00 C ATOM 298 CD LYS A 18 4.221 -7.840 -5.683 1.00 0.00 C ATOM 299 CE LYS A 18 4.869 -9.186 -6.011 1.00 0.00 C ATOM 300 NZ LYS A 18 3.919 -10.013 -6.809 1.00 0.00 N ATOM 0 H LYS A 18 7.055 -5.383 -5.132 1.00 0.00 H new ATOM 0 HA LYS A 18 5.089 -3.773 -3.629 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.654 -5.775 -3.962 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.240 -5.149 -5.490 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.120 -6.843 -5.427 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.455 -7.495 -3.943 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.301 -7.996 -5.120 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.948 -7.323 -6.603 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.792 -9.031 -6.570 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.137 -9.706 -5.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.359 -10.929 -7.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.050 -10.171 -6.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.684 -9.517 -7.692 1.00 0.00 H new ATOM 314 N SER A 19 5.259 -4.935 -1.418 1.00 0.00 N ATOM 315 CA SER A 19 5.527 -5.463 -0.081 1.00 0.00 C ATOM 316 C SER A 19 4.256 -5.439 0.761 1.00 0.00 C ATOM 317 O SER A 19 3.374 -4.607 0.548 1.00 0.00 O ATOM 318 CB SER A 19 6.618 -4.628 0.595 1.00 0.00 C ATOM 319 OG SER A 19 7.885 -5.006 0.074 1.00 0.00 O ATOM 0 H SER A 19 4.542 -4.210 -1.451 1.00 0.00 H new ATOM 0 HA SER A 19 5.867 -6.495 -0.170 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.441 -3.567 0.420 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.594 -4.782 1.674 1.00 0.00 H new ATOM 0 HG SER A 19 7.758 -5.583 -0.708 1.00 0.00 H new ATOM 325 N TYR A 20 4.169 -6.362 1.716 1.00 0.00 N ATOM 326 CA TYR A 20 3.003 -6.445 2.588 1.00 0.00 C ATOM 327 C TYR A 20 3.200 -5.575 3.822 1.00 0.00 C ATOM 328 O TYR A 20 4.228 -5.654 4.495 1.00 0.00 O ATOM 329 CB TYR A 20 2.783 -7.894 3.026 1.00 0.00 C ATOM 330 CG TYR A 20 2.446 -8.738 1.820 1.00 0.00 C ATOM 331 CD1 TYR A 20 3.470 -9.313 1.060 1.00 0.00 C ATOM 332 CD2 TYR A 20 1.108 -8.948 1.465 1.00 0.00 C ATOM 333 CE1 TYR A 20 3.158 -10.098 -0.057 1.00 0.00 C ATOM 334 CE2 TYR A 20 0.796 -9.732 0.348 1.00 0.00 C ATOM 335 CZ TYR A 20 1.820 -10.308 -0.413 1.00 0.00 C ATOM 336 OH TYR A 20 1.513 -11.082 -1.513 1.00 0.00 O ATOM 0 H TYR A 20 4.889 -7.059 1.904 1.00 0.00 H new ATOM 0 HA TYR A 20 2.133 -6.091 2.035 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.679 -8.278 3.513 1.00 0.00 H new ATOM 0 HB3 TYR A 20 1.976 -7.946 3.757 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.502 -9.151 1.335 1.00 0.00 H new ATOM 0 HD2 TYR A 20 0.317 -8.505 2.053 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.949 -10.541 -0.644 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.236 -9.893 0.073 1.00 0.00 H new ATOM 0 HH TYR A 20 0.540 -11.128 -1.620 1.00 0.00 H new ATOM 346 N PHE A 21 2.205 -4.742 4.113 1.00 0.00 N ATOM 347 CA PHE A 21 2.258 -3.848 5.270 1.00 0.00 C ATOM 348 C PHE A 21 1.103 -4.131 6.220 1.00 0.00 C ATOM 349 O PHE A 21 -0.039 -3.753 5.955 1.00 0.00 O ATOM 350 CB PHE A 21 2.187 -2.397 4.796 1.00 0.00 C ATOM 351 CG PHE A 21 3.374 -2.110 3.911 1.00 0.00 C ATOM 352 CD1 PHE A 21 3.338 -2.463 2.558 1.00 0.00 C ATOM 353 CD2 PHE A 21 4.511 -1.494 4.444 1.00 0.00 C ATOM 354 CE1 PHE A 21 4.439 -2.197 1.736 1.00 0.00 C ATOM 355 CE2 PHE A 21 5.611 -1.228 3.622 1.00 0.00 C ATOM 356 CZ PHE A 21 5.577 -1.581 2.269 1.00 0.00 C ATOM 0 H PHE A 21 1.349 -4.666 3.563 1.00 0.00 H new ATOM 0 HA PHE A 21 3.195 -4.018 5.801 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.260 -2.225 4.250 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.183 -1.721 5.651 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.461 -2.941 2.148 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.540 -1.224 5.489 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.410 -2.467 0.691 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.488 -0.749 4.033 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.428 -1.378 1.636 1.00 0.00 H new ATOM 366 N ASP A 22 1.407 -4.788 7.333 1.00 0.00 N ATOM 367 CA ASP A 22 0.384 -5.106 8.318 1.00 0.00 C ATOM 368 C ASP A 22 0.024 -3.861 9.119 1.00 0.00 C ATOM 369 O ASP A 22 0.900 -3.087 9.507 1.00 0.00 O ATOM 370 CB ASP A 22 0.891 -6.196 9.262 1.00 0.00 C ATOM 371 CG ASP A 22 0.993 -7.524 8.520 1.00 0.00 C ATOM 372 OD1 ASP A 22 0.418 -7.628 7.451 1.00 0.00 O ATOM 373 OD2 ASP A 22 1.647 -8.418 9.032 1.00 0.00 O ATOM 0 H ASP A 22 2.345 -5.108 7.574 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.505 -5.465 7.799 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.866 -5.918 9.661 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.215 -6.296 10.111 1.00 0.00 H new ATOM 378 N VAL A 23 -1.271 -3.669 9.363 1.00 0.00 N ATOM 379 CA VAL A 23 -1.748 -2.509 10.122 1.00 0.00 C ATOM 380 C VAL A 23 -2.642 -2.954 11.275 1.00 0.00 C ATOM 381 O VAL A 23 -3.566 -3.747 11.088 1.00 0.00 O ATOM 382 CB VAL A 23 -2.536 -1.574 9.197 1.00 0.00 C ATOM 383 CG1 VAL A 23 -1.571 -0.767 8.323 1.00 0.00 C ATOM 384 CG2 VAL A 23 -3.448 -2.407 8.299 1.00 0.00 C ATOM 0 H VAL A 23 -2.009 -4.299 9.048 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.885 -1.982 10.529 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.131 -0.890 9.802 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.139 -0.105 7.669 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.915 -0.173 8.959 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.972 -1.448 7.718 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.011 -1.747 7.639 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.845 -3.090 7.701 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.141 -2.980 8.915 1.00 0.00 H new ATOM 394 N LEU A 24 -2.368 -2.427 12.469 1.00 0.00 N ATOM 395 CA LEU A 24 -3.161 -2.760 13.654 1.00 0.00 C ATOM 396 C LEU A 24 -4.073 -1.594 14.026 1.00 0.00 C ATOM 397 O LEU A 24 -5.148 -1.796 14.592 1.00 0.00 O ATOM 398 CB LEU A 24 -2.233 -3.091 14.830 1.00 0.00 C ATOM 399 CG LEU A 24 -3.052 -3.380 16.103 1.00 0.00 C ATOM 400 CD1 LEU A 24 -4.061 -4.513 15.850 1.00 0.00 C ATOM 401 CD2 LEU A 24 -2.094 -3.789 17.228 1.00 0.00 C ATOM 0 H LEU A 24 -1.607 -1.771 12.641 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.777 -3.630 13.428 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.618 -3.956 14.583 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.553 -2.258 15.010 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.602 -2.483 16.385 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.630 -4.703 16.760 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.742 -4.222 15.050 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.527 -5.418 15.560 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.664 -3.996 18.134 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.546 -4.683 16.932 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.390 -2.979 17.419 1.00 0.00 H new ATOM 413 N GLY A 25 -3.641 -0.374 13.713 1.00 0.00 N ATOM 414 CA GLY A 25 -4.436 0.808 14.032 1.00 0.00 C ATOM 415 C GLY A 25 -5.534 1.031 12.994 1.00 0.00 C ATOM 416 O GLY A 25 -5.939 2.166 12.743 1.00 0.00 O ATOM 0 H GLY A 25 -2.756 -0.180 13.245 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.883 0.693 15.019 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.789 1.684 14.075 1.00 0.00 H new ATOM 420 N ILE A 26 -6.013 -0.056 12.396 1.00 0.00 N ATOM 421 CA ILE A 26 -7.062 0.038 11.383 1.00 0.00 C ATOM 422 C ILE A 26 -8.440 0.070 12.038 1.00 0.00 C ATOM 423 O ILE A 26 -8.749 -0.752 12.901 1.00 0.00 O ATOM 424 CB ILE A 26 -6.969 -1.158 10.430 1.00 0.00 C ATOM 425 CG1 ILE A 26 -7.939 -0.969 9.250 1.00 0.00 C ATOM 426 CG2 ILE A 26 -7.336 -2.438 11.178 1.00 0.00 C ATOM 427 CD1 ILE A 26 -7.526 0.240 8.397 1.00 0.00 C ATOM 0 H ILE A 26 -5.695 -1.005 12.592 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.922 0.962 10.822 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.949 -1.230 10.052 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.950 -1.868 8.634 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.953 -0.827 9.625 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.269 -3.288 10.499 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.647 -2.583 12.010 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.354 -2.357 11.560 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.224 0.356 7.568 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.539 1.140 9.011 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.521 0.083 8.005 1.00 0.00 H new ATOM 439 N CYS A 27 -9.263 1.029 11.617 1.00 0.00 N ATOM 440 CA CYS A 27 -10.616 1.176 12.156 1.00 0.00 C ATOM 441 C CYS A 27 -11.624 1.287 11.021 1.00 0.00 C ATOM 442 O CYS A 27 -11.455 2.093 10.106 1.00 0.00 O ATOM 443 CB CYS A 27 -10.699 2.433 13.028 1.00 0.00 C ATOM 444 SG CYS A 27 -12.433 2.801 13.403 1.00 0.00 S ATOM 0 H CYS A 27 -9.018 1.716 10.904 1.00 0.00 H new ATOM 0 HA CYS A 27 -10.846 0.298 12.759 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -10.141 2.284 13.952 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -10.241 3.277 12.512 1.00 0.00 H new ATOM 0 HG CYS A 27 -13.079 3.022 12.297 1.00 0.00 H new ATOM 449 N CYS A 28 -12.679 0.479 11.095 1.00 0.00 N ATOM 450 CA CYS A 28 -13.725 0.501 10.075 1.00 0.00 C ATOM 451 C CYS A 28 -13.123 0.660 8.676 1.00 0.00 C ATOM 452 O CYS A 28 -11.925 0.450 8.479 1.00 0.00 O ATOM 453 CB CYS A 28 -14.689 1.654 10.365 1.00 0.00 C ATOM 454 SG CYS A 28 -13.891 3.227 9.950 1.00 0.00 S ATOM 0 H CYS A 28 -12.832 -0.195 11.845 1.00 0.00 H new ATOM 0 HA CYS A 28 -14.264 -0.446 10.104 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -15.603 1.533 9.784 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -14.977 1.646 11.416 1.00 0.00 H new ATOM 0 HG CYS A 28 -12.616 3.036 9.783 1.00 0.00 H new ATOM 459 N THR A 29 -13.960 1.031 7.706 1.00 0.00 N ATOM 460 CA THR A 29 -13.507 1.219 6.325 1.00 0.00 C ATOM 461 C THR A 29 -13.544 2.700 5.957 1.00 0.00 C ATOM 462 O THR A 29 -13.135 3.088 4.862 1.00 0.00 O ATOM 463 CB THR A 29 -14.408 0.432 5.363 1.00 0.00 C ATOM 464 OG1 THR A 29 -14.436 1.083 4.099 1.00 0.00 O ATOM 465 CG2 THR A 29 -15.827 0.363 5.930 1.00 0.00 C ATOM 0 H THR A 29 -14.954 1.207 7.850 1.00 0.00 H new ATOM 0 HA THR A 29 -12.484 0.853 6.242 1.00 0.00 H new ATOM 0 HB THR A 29 -14.015 -0.578 5.245 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.682 1.706 4.035 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.465 -0.196 5.246 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.808 -0.137 6.899 1.00 0.00 H new ATOM 0 HG23 THR A 29 -16.220 1.372 6.050 1.00 0.00 H new ATOM 473 N SER A 30 -14.040 3.521 6.880 1.00 0.00 N ATOM 474 CA SER A 30 -14.129 4.957 6.642 1.00 0.00 C ATOM 475 C SER A 30 -12.762 5.610 6.791 1.00 0.00 C ATOM 476 O SER A 30 -12.592 6.778 6.452 1.00 0.00 O ATOM 477 CB SER A 30 -15.109 5.597 7.624 1.00 0.00 C ATOM 478 OG SER A 30 -16.379 4.969 7.502 1.00 0.00 O ATOM 0 H SER A 30 -14.383 3.219 7.792 1.00 0.00 H new ATOM 0 HA SER A 30 -14.487 5.111 5.624 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.737 5.495 8.644 1.00 0.00 H new ATOM 0 HB3 SER A 30 -15.198 6.664 7.422 1.00 0.00 H new ATOM 0 HG SER A 30 -17.008 5.378 8.133 1.00 0.00 H new ATOM 484 N GLU A 31 -11.793 4.850 7.303 1.00 0.00 N ATOM 485 CA GLU A 31 -10.432 5.360 7.487 1.00 0.00 C ATOM 486 C GLU A 31 -9.581 5.067 6.247 1.00 0.00 C ATOM 487 O GLU A 31 -8.374 5.316 6.245 1.00 0.00 O ATOM 488 CB GLU A 31 -9.795 4.723 8.744 1.00 0.00 C ATOM 489 CG GLU A 31 -9.999 5.629 9.968 1.00 0.00 C ATOM 490 CD GLU A 31 -11.487 5.761 10.286 1.00 0.00 C ATOM 491 OE1 GLU A 31 -12.251 5.997 9.366 1.00 0.00 O ATOM 492 OE2 GLU A 31 -11.840 5.627 11.446 1.00 0.00 O ATOM 0 H GLU A 31 -11.924 3.882 7.597 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.476 6.440 7.626 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.241 3.746 8.929 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.730 4.561 8.577 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.472 5.215 10.827 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.572 6.613 9.776 1.00 0.00 H new ATOM 499 N VAL A 32 -10.212 4.537 5.196 1.00 0.00 N ATOM 500 CA VAL A 32 -9.481 4.221 3.970 1.00 0.00 C ATOM 501 C VAL A 32 -8.916 5.495 3.324 1.00 0.00 C ATOM 502 O VAL A 32 -7.802 5.473 2.800 1.00 0.00 O ATOM 503 CB VAL A 32 -10.379 3.462 2.967 1.00 0.00 C ATOM 504 CG1 VAL A 32 -9.654 3.309 1.628 1.00 0.00 C ATOM 505 CG2 VAL A 32 -10.710 2.071 3.521 1.00 0.00 C ATOM 0 H VAL A 32 -11.209 4.322 5.169 1.00 0.00 H new ATOM 0 HA VAL A 32 -8.647 3.573 4.240 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.299 4.028 2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.294 2.773 0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.421 4.295 1.226 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.730 2.750 1.776 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.343 1.538 2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.787 1.512 3.675 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.235 2.173 4.471 1.00 0.00 H new ATOM 515 N PRO A 33 -9.641 6.595 3.341 1.00 0.00 N ATOM 516 CA PRO A 33 -9.166 7.876 2.734 1.00 0.00 C ATOM 517 C PRO A 33 -7.906 8.405 3.423 1.00 0.00 C ATOM 518 O PRO A 33 -7.007 8.944 2.774 1.00 0.00 O ATOM 519 CB PRO A 33 -10.358 8.842 2.924 1.00 0.00 C ATOM 520 CG PRO A 33 -11.532 7.956 3.174 1.00 0.00 C ATOM 521 CD PRO A 33 -10.971 6.767 3.940 1.00 0.00 C ATOM 0 HA PRO A 33 -8.883 7.755 1.689 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.188 9.519 3.761 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.511 9.460 2.039 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -12.300 8.471 3.752 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.995 7.640 2.239 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.910 6.967 5.010 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.589 5.878 3.816 1.00 0.00 H new ATOM 529 N ILE A 34 -7.860 8.255 4.746 1.00 0.00 N ATOM 530 CA ILE A 34 -6.720 8.729 5.526 1.00 0.00 C ATOM 531 C ILE A 34 -5.465 7.942 5.156 1.00 0.00 C ATOM 532 O ILE A 34 -4.398 8.518 4.980 1.00 0.00 O ATOM 533 CB ILE A 34 -7.016 8.586 7.034 1.00 0.00 C ATOM 534 CG1 ILE A 34 -7.955 9.712 7.483 1.00 0.00 C ATOM 535 CG2 ILE A 34 -5.713 8.683 7.842 1.00 0.00 C ATOM 536 CD1 ILE A 34 -9.236 9.684 6.650 1.00 0.00 C ATOM 0 H ILE A 34 -8.595 7.811 5.297 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.550 9.782 5.300 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.482 7.616 7.207 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.196 9.597 8.540 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.460 10.677 7.372 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.935 8.581 8.904 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.034 7.887 7.535 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.244 9.650 7.661 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.898 10.487 6.974 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.989 9.821 5.597 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.736 8.725 6.783 1.00 0.00 H new ATOM 548 N ILE A 35 -5.599 6.627 5.051 1.00 0.00 N ATOM 549 CA ILE A 35 -4.457 5.781 4.717 1.00 0.00 C ATOM 550 C ILE A 35 -3.911 6.139 3.338 1.00 0.00 C ATOM 551 O ILE A 35 -2.701 6.235 3.148 1.00 0.00 O ATOM 552 CB ILE A 35 -4.888 4.313 4.736 1.00 0.00 C ATOM 553 CG1 ILE A 35 -5.240 3.912 6.169 1.00 0.00 C ATOM 554 CG2 ILE A 35 -3.743 3.428 4.230 1.00 0.00 C ATOM 555 CD1 ILE A 35 -5.974 2.571 6.154 1.00 0.00 C ATOM 0 H ILE A 35 -6.476 6.125 5.190 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.671 5.943 5.455 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.756 4.183 4.090 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.334 3.837 6.770 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.866 4.677 6.629 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.056 2.384 4.246 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.485 3.714 3.210 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.873 3.556 4.874 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.226 2.283 7.175 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.888 2.663 5.567 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.332 1.810 5.710 1.00 0.00 H new ATOM 567 N GLU A 36 -4.808 6.336 2.384 1.00 0.00 N ATOM 568 CA GLU A 36 -4.398 6.681 1.029 1.00 0.00 C ATOM 569 C GLU A 36 -3.717 8.048 1.001 1.00 0.00 C ATOM 570 O GLU A 36 -2.825 8.289 0.187 1.00 0.00 O ATOM 571 CB GLU A 36 -5.615 6.696 0.106 1.00 0.00 C ATOM 572 CG GLU A 36 -6.161 5.274 -0.032 1.00 0.00 C ATOM 573 CD GLU A 36 -7.422 5.283 -0.890 1.00 0.00 C ATOM 574 OE1 GLU A 36 -7.781 6.347 -1.368 1.00 0.00 O ATOM 575 OE2 GLU A 36 -8.009 4.227 -1.056 1.00 0.00 O ATOM 0 H GLU A 36 -5.816 6.264 2.519 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.687 5.930 0.684 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.384 7.356 0.509 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.339 7.089 -0.873 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.408 4.628 -0.484 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.384 4.863 0.953 1.00 0.00 H new ATOM 582 N ASN A 37 -4.147 8.939 1.888 1.00 0.00 N ATOM 583 CA ASN A 37 -3.577 10.282 1.945 1.00 0.00 C ATOM 584 C ASN A 37 -2.091 10.228 2.294 1.00 0.00 C ATOM 585 O ASN A 37 -1.289 10.980 1.740 1.00 0.00 O ATOM 586 CB ASN A 37 -4.310 11.119 2.993 1.00 0.00 C ATOM 587 CG ASN A 37 -5.755 11.350 2.564 1.00 0.00 C ATOM 588 OD1 ASN A 37 -6.569 11.828 3.357 1.00 0.00 O ATOM 589 ND2 ASN A 37 -6.129 11.032 1.356 1.00 0.00 N ATOM 0 H ASN A 37 -4.882 8.759 2.572 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.693 10.740 0.962 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.286 10.611 3.957 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.804 12.076 3.124 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.096 11.179 1.066 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.455 10.637 0.701 1.00 0.00 H new ATOM 596 N ILE A 38 -1.731 9.341 3.217 1.00 0.00 N ATOM 597 CA ILE A 38 -0.335 9.210 3.630 1.00 0.00 C ATOM 598 C ILE A 38 0.538 8.785 2.456 1.00 0.00 C ATOM 599 O ILE A 38 1.587 9.373 2.214 1.00 0.00 O ATOM 600 CB ILE A 38 -0.212 8.171 4.748 1.00 0.00 C ATOM 601 CG1 ILE A 38 -1.149 8.535 5.912 1.00 0.00 C ATOM 602 CG2 ILE A 38 1.232 8.113 5.241 1.00 0.00 C ATOM 603 CD1 ILE A 38 -0.889 9.968 6.395 1.00 0.00 C ATOM 0 H ILE A 38 -2.377 8.708 3.689 1.00 0.00 H new ATOM 0 HA ILE A 38 0.003 10.181 3.991 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.497 7.194 4.359 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.187 8.437 5.593 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.001 7.837 6.736 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.315 7.373 6.037 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.887 7.834 4.416 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.526 9.091 5.623 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.564 10.202 7.218 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.143 10.056 6.735 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.061 10.665 5.575 1.00 0.00 H new ATOM 615 N LEU A 39 0.091 7.771 1.723 1.00 0.00 N ATOM 616 CA LEU A 39 0.846 7.287 0.569 1.00 0.00 C ATOM 617 C LEU A 39 0.968 8.386 -0.482 1.00 0.00 C ATOM 618 O LEU A 39 2.006 8.525 -1.129 1.00 0.00 O ATOM 619 CB LEU A 39 0.156 6.048 -0.034 1.00 0.00 C ATOM 620 CG LEU A 39 0.588 4.787 0.724 1.00 0.00 C ATOM 621 CD1 LEU A 39 0.301 4.951 2.215 1.00 0.00 C ATOM 622 CD2 LEU A 39 -0.188 3.583 0.186 1.00 0.00 C ATOM 0 H LEU A 39 -0.780 7.272 1.903 1.00 0.00 H new ATOM 0 HA LEU A 39 1.847 7.007 0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.927 6.162 0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.414 5.955 -1.089 1.00 0.00 H new ATOM 0 HG LEU A 39 1.657 4.631 0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.611 4.051 2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.854 5.808 2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.767 5.111 2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.117 2.684 0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.256 3.746 0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.022 3.460 -0.876 1.00 0.00 H new ATOM 634 N LYS A 40 -0.096 9.160 -0.645 1.00 0.00 N ATOM 635 CA LYS A 40 -0.096 10.241 -1.621 1.00 0.00 C ATOM 636 C LYS A 40 1.034 11.222 -1.321 1.00 0.00 C ATOM 637 O LYS A 40 1.719 11.688 -2.233 1.00 0.00 O ATOM 638 CB LYS A 40 -1.439 10.975 -1.580 1.00 0.00 C ATOM 639 CG LYS A 40 -1.488 12.027 -2.694 1.00 0.00 C ATOM 640 CD LYS A 40 -2.817 12.794 -2.642 1.00 0.00 C ATOM 641 CE LYS A 40 -3.955 11.943 -3.222 1.00 0.00 C ATOM 642 NZ LYS A 40 -5.166 12.794 -3.383 1.00 0.00 N ATOM 0 H LYS A 40 -0.964 9.061 -0.119 1.00 0.00 H new ATOM 0 HA LYS A 40 0.056 9.819 -2.614 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.256 10.264 -1.702 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.574 11.453 -0.610 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.655 12.721 -2.585 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.376 11.544 -3.665 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.047 13.065 -1.611 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.729 13.724 -3.204 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.659 11.524 -4.184 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.171 11.103 -2.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.942 12.223 -3.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.450 13.173 -2.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.954 13.581 -4.029 1.00 0.00 H new ATOM 656 N SER A 41 1.230 11.530 -0.042 1.00 0.00 N ATOM 657 CA SER A 41 2.285 12.458 0.354 1.00 0.00 C ATOM 658 C SER A 41 3.656 11.872 0.034 1.00 0.00 C ATOM 659 O SER A 41 4.597 12.599 -0.282 1.00 0.00 O ATOM 660 CB SER A 41 2.190 12.754 1.851 1.00 0.00 C ATOM 661 OG SER A 41 2.428 11.561 2.584 1.00 0.00 O ATOM 0 H SER A 41 0.679 11.155 0.730 1.00 0.00 H new ATOM 0 HA SER A 41 2.157 13.385 -0.205 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.918 13.516 2.129 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.204 13.152 2.092 1.00 0.00 H new ATOM 0 HG SER A 41 1.931 10.822 2.176 1.00 0.00 H new ATOM 667 N LEU A 42 3.762 10.550 0.125 1.00 0.00 N ATOM 668 CA LEU A 42 5.023 9.870 -0.150 1.00 0.00 C ATOM 669 C LEU A 42 5.294 9.814 -1.649 1.00 0.00 C ATOM 670 O LEU A 42 4.368 9.773 -2.459 1.00 0.00 O ATOM 671 CB LEU A 42 4.979 8.445 0.402 1.00 0.00 C ATOM 672 CG LEU A 42 4.770 8.473 1.920 1.00 0.00 C ATOM 673 CD1 LEU A 42 4.629 7.036 2.427 1.00 0.00 C ATOM 674 CD2 LEU A 42 5.964 9.154 2.610 1.00 0.00 C ATOM 0 H LEU A 42 2.994 9.931 0.386 1.00 0.00 H new ATOM 0 HA LEU A 42 5.822 10.431 0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.172 7.888 -0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.908 7.926 0.165 1.00 0.00 H new ATOM 0 HG LEU A 42 3.868 9.039 2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.480 7.044 3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.773 6.563 1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.534 6.476 2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.802 9.167 3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.877 8.602 2.387 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.060 10.177 2.245 1.00 0.00 H new ATOM 686 N ASP A 43 6.578 9.806 -2.009 1.00 0.00 N ATOM 687 CA ASP A 43 6.986 9.748 -3.414 1.00 0.00 C ATOM 688 C ASP A 43 7.557 8.372 -3.744 1.00 0.00 C ATOM 689 O ASP A 43 8.185 7.731 -2.902 1.00 0.00 O ATOM 690 CB ASP A 43 8.036 10.825 -3.692 1.00 0.00 C ATOM 691 CG ASP A 43 9.271 10.587 -2.830 1.00 0.00 C ATOM 692 OD1 ASP A 43 9.227 9.693 -2.000 1.00 0.00 O ATOM 693 OD2 ASP A 43 10.241 11.306 -3.008 1.00 0.00 O ATOM 0 H ASP A 43 7.354 9.839 -1.347 1.00 0.00 H new ATOM 0 HA ASP A 43 6.112 9.925 -4.041 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.311 10.812 -4.747 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.621 11.811 -3.483 1.00 0.00 H new ATOM 698 N GLY A 44 7.330 7.926 -4.976 1.00 0.00 N ATOM 699 CA GLY A 44 7.816 6.620 -5.428 1.00 0.00 C ATOM 700 C GLY A 44 6.681 5.604 -5.485 1.00 0.00 C ATOM 701 O GLY A 44 6.778 4.594 -6.181 1.00 0.00 O ATOM 0 H GLY A 44 6.812 8.448 -5.682 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.270 6.719 -6.414 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.594 6.264 -4.753 1.00 0.00 H new ATOM 705 N VAL A 45 5.602 5.878 -4.756 1.00 0.00 N ATOM 706 CA VAL A 45 4.460 4.974 -4.748 1.00 0.00 C ATOM 707 C VAL A 45 3.703 5.063 -6.069 1.00 0.00 C ATOM 708 O VAL A 45 3.383 6.156 -6.540 1.00 0.00 O ATOM 709 CB VAL A 45 3.519 5.324 -3.592 1.00 0.00 C ATOM 710 CG1 VAL A 45 4.315 5.376 -2.287 1.00 0.00 C ATOM 711 CG2 VAL A 45 2.874 6.688 -3.855 1.00 0.00 C ATOM 0 H VAL A 45 5.496 6.707 -4.171 1.00 0.00 H new ATOM 0 HA VAL A 45 4.827 3.956 -4.617 1.00 0.00 H new ATOM 0 HB VAL A 45 2.741 4.565 -3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.647 5.625 -1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.773 4.405 -2.102 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.093 6.135 -2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.204 6.938 -3.033 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.651 7.449 -3.934 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.308 6.649 -4.786 1.00 0.00 H new ATOM 721 N LYS A 46 3.419 3.905 -6.661 1.00 0.00 N ATOM 722 CA LYS A 46 2.695 3.846 -7.933 1.00 0.00 C ATOM 723 C LYS A 46 1.213 3.578 -7.693 1.00 0.00 C ATOM 724 O LYS A 46 0.354 4.326 -8.160 1.00 0.00 O ATOM 725 CB LYS A 46 3.296 2.731 -8.811 1.00 0.00 C ATOM 726 CG LYS A 46 4.502 3.253 -9.610 1.00 0.00 C ATOM 727 CD LYS A 46 4.031 3.976 -10.880 1.00 0.00 C ATOM 728 CE LYS A 46 5.246 4.503 -11.644 1.00 0.00 C ATOM 729 NZ LYS A 46 4.788 5.209 -12.875 1.00 0.00 N ATOM 0 H LYS A 46 3.678 2.994 -6.282 1.00 0.00 H new ATOM 0 HA LYS A 46 2.793 4.805 -8.442 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.605 1.895 -8.184 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.537 2.353 -9.496 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.088 3.934 -8.993 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.156 2.423 -9.878 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.460 3.294 -11.509 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.367 4.800 -10.618 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.819 5.183 -11.014 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.908 3.679 -11.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.613 5.568 -13.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.259 4.547 -13.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.172 6.004 -12.610 1.00 0.00 H new ATOM 743 N GLU A 47 0.919 2.505 -6.963 1.00 0.00 N ATOM 744 CA GLU A 47 -0.469 2.145 -6.672 1.00 0.00 C ATOM 745 C GLU A 47 -0.574 1.425 -5.334 1.00 0.00 C ATOM 746 O GLU A 47 0.406 0.885 -4.824 1.00 0.00 O ATOM 747 CB GLU A 47 -1.021 1.246 -7.782 1.00 0.00 C ATOM 748 CG GLU A 47 0.002 0.161 -8.114 1.00 0.00 C ATOM 749 CD GLU A 47 -0.560 -0.777 -9.177 1.00 0.00 C ATOM 750 OE1 GLU A 47 -1.247 -0.294 -10.062 1.00 0.00 O ATOM 751 OE2 GLU A 47 -0.298 -1.965 -9.089 1.00 0.00 O ATOM 0 H GLU A 47 1.615 1.874 -6.565 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.055 3.063 -6.621 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.959 0.791 -7.464 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.239 1.839 -8.670 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.925 0.617 -8.471 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.252 -0.403 -7.215 1.00 0.00 H new ATOM 758 N TYR A 48 -1.778 1.428 -4.773 1.00 0.00 N ATOM 759 CA TYR A 48 -2.020 0.777 -3.493 1.00 0.00 C ATOM 760 C TYR A 48 -3.496 0.440 -3.324 1.00 0.00 C ATOM 761 O TYR A 48 -4.356 1.002 -4.000 1.00 0.00 O ATOM 762 CB TYR A 48 -1.548 1.683 -2.349 1.00 0.00 C ATOM 763 CG TYR A 48 -1.988 3.104 -2.627 1.00 0.00 C ATOM 764 CD1 TYR A 48 -3.339 3.458 -2.519 1.00 0.00 C ATOM 765 CD2 TYR A 48 -1.042 4.067 -3.005 1.00 0.00 C ATOM 766 CE1 TYR A 48 -3.743 4.770 -2.791 1.00 0.00 C ATOM 767 CE2 TYR A 48 -1.447 5.379 -3.280 1.00 0.00 C ATOM 768 CZ TYR A 48 -2.797 5.731 -3.170 1.00 0.00 C ATOM 769 OH TYR A 48 -3.196 7.023 -3.442 1.00 0.00 O ATOM 0 H TYR A 48 -2.599 1.873 -5.184 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.455 -0.155 -3.468 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.964 1.339 -1.402 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.463 1.637 -2.256 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.069 2.718 -2.226 1.00 0.00 H new ATOM 0 HD2 TYR A 48 0.001 3.797 -3.084 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.785 5.042 -2.709 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.718 6.119 -3.577 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.415 7.561 -3.689 1.00 0.00 H new ATOM 779 N SER A 49 -3.775 -0.484 -2.408 1.00 0.00 N ATOM 780 CA SER A 49 -5.147 -0.904 -2.136 1.00 0.00 C ATOM 781 C SER A 49 -5.307 -1.253 -0.661 1.00 0.00 C ATOM 782 O SER A 49 -4.485 -1.972 -0.094 1.00 0.00 O ATOM 783 CB SER A 49 -5.493 -2.127 -2.987 1.00 0.00 C ATOM 784 OG SER A 49 -6.906 -2.283 -3.035 1.00 0.00 O ATOM 0 H SER A 49 -3.070 -0.956 -1.842 1.00 0.00 H new ATOM 0 HA SER A 49 -5.820 -0.084 -2.385 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.095 -2.008 -3.995 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.031 -3.020 -2.565 1.00 0.00 H new ATOM 0 HG SER A 49 -7.130 -3.065 -3.581 1.00 0.00 H new ATOM 790 N VAL A 50 -6.372 -0.749 -0.046 1.00 0.00 N ATOM 791 CA VAL A 50 -6.636 -1.020 1.367 1.00 0.00 C ATOM 792 C VAL A 50 -7.706 -2.097 1.494 1.00 0.00 C ATOM 793 O VAL A 50 -8.867 -1.873 1.149 1.00 0.00 O ATOM 794 CB VAL A 50 -7.117 0.256 2.059 1.00 0.00 C ATOM 795 CG1 VAL A 50 -7.133 0.043 3.573 1.00 0.00 C ATOM 796 CG2 VAL A 50 -6.164 1.402 1.714 1.00 0.00 C ATOM 0 H VAL A 50 -7.065 -0.153 -0.499 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.716 -1.364 1.840 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.124 0.500 1.720 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.476 0.953 4.065 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.807 -0.778 3.818 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.127 -0.198 3.917 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.501 2.315 2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.159 1.155 2.057 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.152 1.553 0.635 1.00 0.00 H new ATOM 806 N ILE A 51 -7.311 -3.271 1.990 1.00 0.00 N ATOM 807 CA ILE A 51 -8.252 -4.380 2.153 1.00 0.00 C ATOM 808 C ILE A 51 -8.546 -4.600 3.635 1.00 0.00 C ATOM 809 O ILE A 51 -7.762 -5.225 4.349 1.00 0.00 O ATOM 810 CB ILE A 51 -7.653 -5.656 1.550 1.00 0.00 C ATOM 811 CG1 ILE A 51 -7.264 -5.401 0.091 1.00 0.00 C ATOM 812 CG2 ILE A 51 -8.687 -6.782 1.591 1.00 0.00 C ATOM 813 CD1 ILE A 51 -6.470 -6.599 -0.433 1.00 0.00 C ATOM 0 H ILE A 51 -6.356 -3.477 2.283 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.182 -4.138 1.638 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.773 -5.940 2.127 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.157 -5.248 -0.515 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.667 -4.492 0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.257 -7.687 1.161 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.976 -6.973 2.624 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.566 -6.490 1.016 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.190 -6.424 -1.472 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.570 -6.730 0.168 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.083 -7.498 -0.369 1.00 0.00 H new ATOM 825 N VAL A 52 -9.689 -4.088 4.086 1.00 0.00 N ATOM 826 CA VAL A 52 -10.091 -4.238 5.483 1.00 0.00 C ATOM 827 C VAL A 52 -10.569 -5.670 5.757 1.00 0.00 C ATOM 828 O VAL A 52 -10.285 -6.231 6.815 1.00 0.00 O ATOM 829 CB VAL A 52 -11.212 -3.226 5.839 1.00 0.00 C ATOM 830 CG1 VAL A 52 -11.039 -2.715 7.275 1.00 0.00 C ATOM 831 CG2 VAL A 52 -11.160 -2.037 4.875 1.00 0.00 C ATOM 0 H VAL A 52 -10.350 -3.568 3.508 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.223 -4.034 6.110 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.174 -3.732 5.754 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.834 -2.006 7.507 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.087 -3.555 7.968 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.072 -2.220 7.371 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -11.949 -1.329 5.128 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.191 -1.545 4.956 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.304 -2.390 3.854 1.00 0.00 H new ATOM 841 N PRO A 53 -11.294 -6.266 4.835 1.00 0.00 N ATOM 842 CA PRO A 53 -11.821 -7.655 5.009 1.00 0.00 C ATOM 843 C PRO A 53 -10.713 -8.651 5.352 1.00 0.00 C ATOM 844 O PRO A 53 -10.936 -9.607 6.097 1.00 0.00 O ATOM 845 CB PRO A 53 -12.472 -7.973 3.650 1.00 0.00 C ATOM 846 CG PRO A 53 -12.802 -6.639 3.063 1.00 0.00 C ATOM 847 CD PRO A 53 -11.697 -5.697 3.533 1.00 0.00 C ATOM 0 HA PRO A 53 -12.523 -7.731 5.840 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.792 -8.531 3.006 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.367 -8.583 3.773 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -12.838 -6.688 1.975 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.780 -6.294 3.399 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.864 -5.672 2.830 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -12.058 -4.674 3.636 1.00 0.00 H new ATOM 855 N SER A 54 -9.521 -8.423 4.802 1.00 0.00 N ATOM 856 CA SER A 54 -8.374 -9.302 5.046 1.00 0.00 C ATOM 857 C SER A 54 -7.328 -8.601 5.909 1.00 0.00 C ATOM 858 O SER A 54 -6.258 -9.151 6.171 1.00 0.00 O ATOM 859 CB SER A 54 -7.745 -9.704 3.710 1.00 0.00 C ATOM 860 OG SER A 54 -6.634 -10.558 3.951 1.00 0.00 O ATOM 0 H SER A 54 -9.323 -7.637 4.184 1.00 0.00 H new ATOM 0 HA SER A 54 -8.723 -10.189 5.574 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.481 -10.213 3.087 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.424 -8.817 3.164 1.00 0.00 H new ATOM 0 HG SER A 54 -6.209 -10.310 4.798 1.00 0.00 H new ATOM 866 N ARG A 55 -7.641 -7.384 6.345 1.00 0.00 N ATOM 867 CA ARG A 55 -6.717 -6.616 7.177 1.00 0.00 C ATOM 868 C ARG A 55 -5.320 -6.614 6.570 1.00 0.00 C ATOM 869 O ARG A 55 -4.321 -6.715 7.284 1.00 0.00 O ATOM 870 CB ARG A 55 -6.658 -7.210 8.584 1.00 0.00 C ATOM 871 CG ARG A 55 -8.029 -7.091 9.249 1.00 0.00 C ATOM 872 CD ARG A 55 -7.982 -7.755 10.625 1.00 0.00 C ATOM 873 NE ARG A 55 -7.083 -7.016 11.506 1.00 0.00 N ATOM 874 CZ ARG A 55 -6.804 -7.456 12.728 1.00 0.00 C ATOM 875 NH1 ARG A 55 -7.324 -8.575 13.154 1.00 0.00 N ATOM 876 NH2 ARG A 55 -6.006 -6.772 13.501 1.00 0.00 N ATOM 0 H ARG A 55 -8.520 -6.910 6.139 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.081 -5.590 7.230 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.356 -8.256 8.536 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.908 -6.689 9.179 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.308 -6.042 9.348 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.789 -7.566 8.629 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.982 -7.787 11.057 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.643 -8.787 10.529 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.662 -6.147 11.178 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.945 -9.112 12.548 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.109 -8.912 14.092 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.596 -5.900 13.167 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.792 -7.110 14.439 1.00 0.00 H new ATOM 890 N THR A 56 -5.251 -6.499 5.244 1.00 0.00 N ATOM 891 CA THR A 56 -3.970 -6.483 4.534 1.00 0.00 C ATOM 892 C THR A 56 -3.880 -5.266 3.622 1.00 0.00 C ATOM 893 O THR A 56 -4.823 -4.948 2.899 1.00 0.00 O ATOM 894 CB THR A 56 -3.825 -7.755 3.694 1.00 0.00 C ATOM 895 OG1 THR A 56 -3.924 -8.893 4.541 1.00 0.00 O ATOM 896 CG2 THR A 56 -2.467 -7.754 2.995 1.00 0.00 C ATOM 0 H THR A 56 -6.067 -6.415 4.638 1.00 0.00 H new ATOM 0 HA THR A 56 -3.168 -6.435 5.271 1.00 0.00 H new ATOM 0 HB THR A 56 -4.616 -7.789 2.945 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.805 -8.906 4.969 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.365 -8.660 2.397 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.392 -6.881 2.347 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.674 -7.720 3.742 1.00 0.00 H new ATOM 904 N VAL A 57 -2.736 -4.585 3.657 1.00 0.00 N ATOM 905 CA VAL A 57 -2.522 -3.398 2.825 1.00 0.00 C ATOM 906 C VAL A 57 -1.412 -3.673 1.818 1.00 0.00 C ATOM 907 O VAL A 57 -0.334 -4.142 2.178 1.00 0.00 O ATOM 908 CB VAL A 57 -2.134 -2.206 3.709 1.00 0.00 C ATOM 909 CG1 VAL A 57 -1.675 -1.031 2.836 1.00 0.00 C ATOM 910 CG2 VAL A 57 -3.343 -1.776 4.544 1.00 0.00 C ATOM 0 H VAL A 57 -1.944 -4.832 4.250 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.443 -3.163 2.292 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.318 -2.502 4.368 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.402 -0.190 3.473 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.811 -1.333 2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.485 -0.734 2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.068 -0.929 5.173 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.159 -1.487 3.881 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.664 -2.606 5.174 1.00 0.00 H new ATOM 920 N ILE A 58 -1.689 -3.376 0.549 1.00 0.00 N ATOM 921 CA ILE A 58 -0.715 -3.594 -0.523 1.00 0.00 C ATOM 922 C ILE A 58 -0.365 -2.273 -1.189 1.00 0.00 C ATOM 923 O ILE A 58 -1.245 -1.505 -1.569 1.00 0.00 O ATOM 924 CB ILE A 58 -1.297 -4.538 -1.569 1.00 0.00 C ATOM 925 CG1 ILE A 58 -1.602 -5.893 -0.924 1.00 0.00 C ATOM 926 CG2 ILE A 58 -0.286 -4.730 -2.702 1.00 0.00 C ATOM 927 CD1 ILE A 58 -2.416 -6.745 -1.897 1.00 0.00 C ATOM 0 H ILE A 58 -2.578 -2.984 0.237 1.00 0.00 H new ATOM 0 HA ILE A 58 0.184 -4.033 -0.091 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.217 -4.111 -1.969 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.674 -6.403 -0.666 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.156 -5.750 0.004 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.702 -5.405 -3.450 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.069 -3.766 -3.163 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.634 -5.156 -2.301 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.635 -7.710 -1.440 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.350 -6.235 -2.133 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.845 -6.898 -2.813 1.00 0.00 H new ATOM 939 N VAL A 59 0.930 -2.018 -1.329 1.00 0.00 N ATOM 940 CA VAL A 59 1.405 -0.787 -1.961 1.00 0.00 C ATOM 941 C VAL A 59 2.615 -1.085 -2.828 1.00 0.00 C ATOM 942 O VAL A 59 3.499 -1.849 -2.441 1.00 0.00 O ATOM 943 CB VAL A 59 1.766 0.252 -0.891 1.00 0.00 C ATOM 944 CG1 VAL A 59 2.732 -0.362 0.117 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.422 1.473 -1.544 1.00 0.00 C ATOM 0 H VAL A 59 1.671 -2.644 -1.015 1.00 0.00 H new ATOM 0 HA VAL A 59 0.610 -0.382 -2.588 1.00 0.00 H new ATOM 0 HB VAL A 59 0.855 0.564 -0.381 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.986 0.379 0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.262 -1.223 0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.639 -0.682 -0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.674 2.205 -0.776 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.329 1.164 -2.063 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.730 1.920 -2.257 1.00 0.00 H new ATOM 955 N VAL A 60 2.651 -0.477 -4.012 1.00 0.00 N ATOM 956 CA VAL A 60 3.758 -0.682 -4.941 1.00 0.00 C ATOM 957 C VAL A 60 4.599 0.585 -5.003 1.00 0.00 C ATOM 958 O VAL A 60 4.079 1.678 -5.226 1.00 0.00 O ATOM 959 CB VAL A 60 3.215 -1.014 -6.335 1.00 0.00 C ATOM 960 CG1 VAL A 60 4.370 -1.070 -7.335 1.00 0.00 C ATOM 961 CG2 VAL A 60 2.507 -2.369 -6.301 1.00 0.00 C ATOM 0 H VAL A 60 1.929 0.159 -4.349 1.00 0.00 H new ATOM 0 HA VAL A 60 4.373 -1.513 -4.596 1.00 0.00 H new ATOM 0 HB VAL A 60 2.508 -0.242 -6.639 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.982 -1.306 -8.326 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.874 -0.104 -7.363 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.079 -1.840 -7.030 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.122 -2.603 -7.293 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.213 -3.141 -5.994 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.681 -2.330 -5.591 1.00 0.00 H new ATOM 971 N HIS A 61 5.898 0.428 -4.791 1.00 0.00 N ATOM 972 CA HIS A 61 6.810 1.564 -4.807 1.00 0.00 C ATOM 973 C HIS A 61 8.235 1.104 -5.115 1.00 0.00 C ATOM 974 O HIS A 61 8.568 -0.065 -4.931 1.00 0.00 O ATOM 975 CB HIS A 61 6.778 2.264 -3.442 1.00 0.00 C ATOM 976 CG HIS A 61 7.499 1.423 -2.418 1.00 0.00 C ATOM 977 ND1 HIS A 61 8.846 1.597 -2.134 1.00 0.00 N ATOM 978 CD2 HIS A 61 7.077 0.399 -1.607 1.00 0.00 C ATOM 979 CE1 HIS A 61 9.181 0.702 -1.187 1.00 0.00 C ATOM 980 NE2 HIS A 61 8.139 -0.054 -0.831 1.00 0.00 N ATOM 0 H HIS A 61 6.343 -0.471 -4.607 1.00 0.00 H new ATOM 0 HA HIS A 61 6.493 2.259 -5.585 1.00 0.00 H new ATOM 0 HB2 HIS A 61 7.247 3.245 -3.515 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.746 2.427 -3.131 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.072 0.005 -1.576 1.00 0.00 H new ATOM 0 HE1 HIS A 61 10.171 0.607 -0.766 1.00 0.00 H new ATOM 0 HE2 HIS A 61 8.125 -0.803 -0.139 1.00 0.00 H new ATOM 989 N ASP A 62 9.066 2.030 -5.568 1.00 0.00 N ATOM 990 CA ASP A 62 10.455 1.715 -5.881 1.00 0.00 C ATOM 991 C ASP A 62 11.296 1.733 -4.612 1.00 0.00 C ATOM 992 O ASP A 62 11.374 2.748 -3.918 1.00 0.00 O ATOM 993 CB ASP A 62 11.008 2.737 -6.872 1.00 0.00 C ATOM 994 CG ASP A 62 12.424 2.351 -7.286 1.00 0.00 C ATOM 995 OD1 ASP A 62 12.955 1.417 -6.710 1.00 0.00 O ATOM 996 OD2 ASP A 62 12.955 2.993 -8.178 1.00 0.00 O ATOM 0 H ASP A 62 8.806 3.003 -5.727 1.00 0.00 H new ATOM 0 HA ASP A 62 10.497 0.720 -6.324 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.365 2.788 -7.751 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.010 3.729 -6.420 1.00 0.00 H new ATOM 1001 N SER A 63 11.921 0.603 -4.313 1.00 0.00 N ATOM 1002 CA SER A 63 12.753 0.493 -3.123 1.00 0.00 C ATOM 1003 C SER A 63 13.886 1.512 -3.164 1.00 0.00 C ATOM 1004 O SER A 63 14.201 2.142 -2.154 1.00 0.00 O ATOM 1005 CB SER A 63 13.340 -0.914 -3.027 1.00 0.00 C ATOM 1006 OG SER A 63 14.402 -0.916 -2.083 1.00 0.00 O ATOM 0 H SER A 63 11.868 -0.247 -4.875 1.00 0.00 H new ATOM 0 HA SER A 63 12.131 0.691 -2.250 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.569 -1.623 -2.725 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.705 -1.236 -4.003 1.00 0.00 H new ATOM 0 HG SER A 63 14.780 -1.818 -2.018 1.00 0.00 H new ATOM 1012 N LEU A 64 14.501 1.663 -4.332 1.00 0.00 N ATOM 1013 CA LEU A 64 15.602 2.599 -4.482 1.00 0.00 C ATOM 1014 C LEU A 64 15.149 4.034 -4.203 1.00 0.00 C ATOM 1015 O LEU A 64 15.821 4.771 -3.480 1.00 0.00 O ATOM 1016 CB LEU A 64 16.148 2.507 -5.916 1.00 0.00 C ATOM 1017 CG LEU A 64 17.086 1.297 -6.061 1.00 0.00 C ATOM 1018 CD1 LEU A 64 18.394 1.519 -5.270 1.00 0.00 C ATOM 1019 CD2 LEU A 64 16.370 0.042 -5.548 1.00 0.00 C ATOM 0 H LEU A 64 14.256 1.153 -5.181 1.00 0.00 H new ATOM 0 HA LEU A 64 16.379 2.339 -3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 64 15.321 2.420 -6.621 1.00 0.00 H new ATOM 0 HB3 LEU A 64 16.685 3.422 -6.166 1.00 0.00 H new ATOM 0 HG LEU A 64 17.343 1.172 -7.113 1.00 0.00 H new ATOM 0 HD11 LEU A 64 19.042 0.650 -5.387 1.00 0.00 H new ATOM 0 HD12 LEU A 64 18.903 2.405 -5.650 1.00 0.00 H new ATOM 0 HD13 LEU A 64 18.162 1.658 -4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 64 17.030 -0.820 -5.648 1.00 0.00 H new ATOM 0 HD22 LEU A 64 16.106 0.177 -4.499 1.00 0.00 H new ATOM 0 HD23 LEU A 64 15.465 -0.125 -6.132 1.00 0.00 H new ATOM 1031 N LEU A 65 14.015 4.430 -4.778 1.00 0.00 N ATOM 1032 CA LEU A 65 13.512 5.787 -4.577 1.00 0.00 C ATOM 1033 C LEU A 65 13.056 5.981 -3.135 1.00 0.00 C ATOM 1034 O LEU A 65 13.404 6.967 -2.487 1.00 0.00 O ATOM 1035 CB LEU A 65 12.339 6.037 -5.533 1.00 0.00 C ATOM 1036 CG LEU A 65 12.076 7.549 -5.704 1.00 0.00 C ATOM 1037 CD1 LEU A 65 11.259 7.771 -6.980 1.00 0.00 C ATOM 1038 CD2 LEU A 65 11.299 8.106 -4.495 1.00 0.00 C ATOM 0 H LEU A 65 13.436 3.842 -5.377 1.00 0.00 H new ATOM 0 HA LEU A 65 14.313 6.497 -4.783 1.00 0.00 H new ATOM 0 HB2 LEU A 65 12.555 5.590 -6.503 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.443 5.550 -5.150 1.00 0.00 H new ATOM 0 HG LEU A 65 13.031 8.070 -5.772 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.068 8.836 -7.109 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.816 7.395 -7.838 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.311 7.239 -6.902 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.124 9.173 -4.635 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.343 7.590 -4.408 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.880 7.950 -3.586 1.00 0.00 H new ATOM 1050 N ILE A 66 12.289 5.016 -2.629 1.00 0.00 N ATOM 1051 CA ILE A 66 11.793 5.072 -1.253 1.00 0.00 C ATOM 1052 C ILE A 66 11.837 3.685 -0.622 1.00 0.00 C ATOM 1053 O ILE A 66 11.467 2.699 -1.253 1.00 0.00 O ATOM 1054 CB ILE A 66 10.361 5.614 -1.230 1.00 0.00 C ATOM 1055 CG1 ILE A 66 9.910 5.780 0.223 1.00 0.00 C ATOM 1056 CG2 ILE A 66 9.431 4.636 -1.951 1.00 0.00 C ATOM 1057 CD1 ILE A 66 8.634 6.624 0.268 1.00 0.00 C ATOM 0 H ILE A 66 11.998 4.188 -3.149 1.00 0.00 H new ATOM 0 HA ILE A 66 12.432 5.741 -0.677 1.00 0.00 H new ATOM 0 HB ILE A 66 10.325 6.579 -1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.729 4.804 0.673 1.00 0.00 H new ATOM 0 HG13 ILE A 66 10.696 6.259 0.807 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.412 5.023 -1.934 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.757 4.518 -2.984 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.460 3.669 -1.449 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.312 6.742 1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.831 7.605 -0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.849 6.127 -0.301 1.00 0.00 H new ATOM 1069 N SER A 67 12.309 3.616 0.618 1.00 0.00 N ATOM 1070 CA SER A 67 12.418 2.336 1.313 1.00 0.00 C ATOM 1071 C SER A 67 11.046 1.856 1.820 1.00 0.00 C ATOM 1072 O SER A 67 10.200 2.680 2.168 1.00 0.00 O ATOM 1073 CB SER A 67 13.364 2.476 2.499 1.00 0.00 C ATOM 1074 OG SER A 67 14.682 2.718 2.027 1.00 0.00 O ATOM 0 H SER A 67 12.620 4.423 1.159 1.00 0.00 H new ATOM 0 HA SER A 67 12.804 1.602 0.606 1.00 0.00 H new ATOM 0 HB2 SER A 67 13.040 3.295 3.142 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.343 1.569 3.103 1.00 0.00 H new ATOM 0 HG SER A 67 15.258 2.967 2.779 1.00 0.00 H new ATOM 1080 N PRO A 68 10.796 0.555 1.888 1.00 0.00 N ATOM 1081 CA PRO A 68 9.483 0.028 2.390 1.00 0.00 C ATOM 1082 C PRO A 68 9.138 0.537 3.797 1.00 0.00 C ATOM 1083 O PRO A 68 8.023 0.995 4.046 1.00 0.00 O ATOM 1084 CB PRO A 68 9.675 -1.501 2.412 1.00 0.00 C ATOM 1085 CG PRO A 68 10.793 -1.778 1.462 1.00 0.00 C ATOM 1086 CD PRO A 68 11.702 -0.548 1.498 1.00 0.00 C ATOM 0 HA PRO A 68 8.660 0.357 1.756 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.917 -1.851 3.415 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.764 -2.015 2.106 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.340 -2.674 1.756 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.414 -1.952 0.455 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.513 -0.672 2.216 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.162 -0.363 0.527 1.00 0.00 H new ATOM 1094 N PHE A 69 10.098 0.431 4.711 1.00 0.00 N ATOM 1095 CA PHE A 69 9.879 0.854 6.092 1.00 0.00 C ATOM 1096 C PHE A 69 9.421 2.308 6.155 1.00 0.00 C ATOM 1097 O PHE A 69 8.696 2.702 7.068 1.00 0.00 O ATOM 1098 CB PHE A 69 11.166 0.671 6.914 1.00 0.00 C ATOM 1099 CG PHE A 69 12.163 1.753 6.566 1.00 0.00 C ATOM 1100 CD1 PHE A 69 12.032 3.026 7.133 1.00 0.00 C ATOM 1101 CD2 PHE A 69 13.211 1.487 5.678 1.00 0.00 C ATOM 1102 CE1 PHE A 69 12.948 4.033 6.812 1.00 0.00 C ATOM 1103 CE2 PHE A 69 14.128 2.495 5.358 1.00 0.00 C ATOM 1104 CZ PHE A 69 13.997 3.768 5.926 1.00 0.00 C ATOM 0 H PHE A 69 11.029 0.059 4.523 1.00 0.00 H new ATOM 0 HA PHE A 69 9.092 0.230 6.516 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.935 0.707 7.979 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.598 -0.310 6.715 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.223 3.231 7.819 1.00 0.00 H new ATOM 0 HD2 PHE A 69 13.312 0.505 5.240 1.00 0.00 H new ATOM 0 HE1 PHE A 69 12.845 5.015 7.248 1.00 0.00 H new ATOM 0 HE2 PHE A 69 14.937 2.291 4.672 1.00 0.00 H new ATOM 0 HZ PHE A 69 14.706 4.545 5.680 1.00 0.00 H new ATOM 1114 N GLN A 70 9.854 3.100 5.183 1.00 0.00 N ATOM 1115 CA GLN A 70 9.490 4.505 5.143 1.00 0.00 C ATOM 1116 C GLN A 70 7.973 4.657 5.137 1.00 0.00 C ATOM 1117 O GLN A 70 7.425 5.539 5.800 1.00 0.00 O ATOM 1118 CB GLN A 70 10.075 5.146 3.885 1.00 0.00 C ATOM 1119 CG GLN A 70 10.006 6.666 4.004 1.00 0.00 C ATOM 1120 CD GLN A 70 10.988 7.157 5.063 1.00 0.00 C ATOM 1121 OE1 GLN A 70 10.590 7.823 6.017 1.00 0.00 O ATOM 1122 NE2 GLN A 70 12.255 6.864 4.951 1.00 0.00 N ATOM 0 H GLN A 70 10.454 2.793 4.417 1.00 0.00 H new ATOM 0 HA GLN A 70 9.890 5.001 6.027 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.109 4.828 3.750 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.523 4.815 3.006 1.00 0.00 H new ATOM 0 HG2 GLN A 70 10.238 7.124 3.042 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.993 6.972 4.267 1.00 0.00 H new ATOM 0 HE21 GLN A 70 12.583 6.311 4.159 1.00 0.00 H new ATOM 0 HE22 GLN A 70 12.918 7.188 5.656 1.00 0.00 H new ATOM 1131 N ILE A 71 7.299 3.796 4.382 1.00 0.00 N ATOM 1132 CA ILE A 71 5.842 3.847 4.295 1.00 0.00 C ATOM 1133 C ILE A 71 5.215 3.554 5.657 1.00 0.00 C ATOM 1134 O ILE A 71 4.269 4.223 6.074 1.00 0.00 O ATOM 1135 CB ILE A 71 5.343 2.826 3.268 1.00 0.00 C ATOM 1136 CG1 ILE A 71 5.801 3.249 1.869 1.00 0.00 C ATOM 1137 CG2 ILE A 71 3.814 2.768 3.303 1.00 0.00 C ATOM 1138 CD1 ILE A 71 5.548 2.109 0.881 1.00 0.00 C ATOM 0 H ILE A 71 7.733 3.060 3.825 1.00 0.00 H new ATOM 0 HA ILE A 71 5.549 4.849 3.980 1.00 0.00 H new ATOM 0 HB ILE A 71 5.749 1.843 3.507 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.263 4.143 1.554 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.861 3.503 1.883 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.461 2.041 2.572 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.484 2.471 4.298 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.407 3.750 3.064 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.874 2.411 -0.114 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.106 1.226 1.193 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.483 1.876 0.859 1.00 0.00 H new ATOM 1150 N ALA A 72 5.746 2.547 6.343 1.00 0.00 N ATOM 1151 CA ALA A 72 5.229 2.167 7.652 1.00 0.00 C ATOM 1152 C ALA A 72 5.372 3.315 8.643 1.00 0.00 C ATOM 1153 O ALA A 72 4.484 3.559 9.460 1.00 0.00 O ATOM 1154 CB ALA A 72 5.993 0.956 8.179 1.00 0.00 C ATOM 0 H ALA A 72 6.530 1.982 6.016 1.00 0.00 H new ATOM 0 HA ALA A 72 4.173 1.922 7.543 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.602 0.677 9.157 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.873 0.121 7.489 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.051 1.204 8.268 1.00 0.00 H new ATOM 1160 N LYS A 73 6.497 4.013 8.566 1.00 0.00 N ATOM 1161 CA LYS A 73 6.754 5.135 9.461 1.00 0.00 C ATOM 1162 C LYS A 73 5.724 6.233 9.237 1.00 0.00 C ATOM 1163 O LYS A 73 5.234 6.838 10.187 1.00 0.00 O ATOM 1164 CB LYS A 73 8.160 5.693 9.207 1.00 0.00 C ATOM 1165 CG LYS A 73 9.232 4.657 9.583 1.00 0.00 C ATOM 1166 CD LYS A 73 9.464 4.646 11.101 1.00 0.00 C ATOM 1167 CE LYS A 73 10.558 3.631 11.440 1.00 0.00 C ATOM 1168 NZ LYS A 73 10.793 3.632 12.914 1.00 0.00 N ATOM 0 H LYS A 73 7.243 3.824 7.897 1.00 0.00 H new ATOM 0 HA LYS A 73 6.683 4.784 10.491 1.00 0.00 H new ATOM 0 HB2 LYS A 73 8.264 5.966 8.157 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.306 6.603 9.789 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.921 3.667 9.250 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.165 4.888 9.069 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.755 5.639 11.443 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.540 4.389 11.619 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.262 2.636 11.108 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.479 3.882 10.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.536 2.943 13.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.093 4.581 13.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.914 3.373 13.406 1.00 0.00 H new ATOM 1182 N ALA A 74 5.403 6.486 7.975 1.00 0.00 N ATOM 1183 CA ALA A 74 4.430 7.520 7.642 1.00 0.00 C ATOM 1184 C ALA A 74 3.063 7.175 8.230 1.00 0.00 C ATOM 1185 O ALA A 74 2.363 8.042 8.754 1.00 0.00 O ATOM 1186 CB ALA A 74 4.324 7.660 6.120 1.00 0.00 C ATOM 0 H ALA A 74 5.797 5.996 7.172 1.00 0.00 H new ATOM 0 HA ALA A 74 4.763 8.466 8.068 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.596 8.434 5.876 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.296 7.935 5.711 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.004 6.711 5.689 1.00 0.00 H new ATOM 1192 N LEU A 75 2.698 5.901 8.144 1.00 0.00 N ATOM 1193 CA LEU A 75 1.421 5.434 8.672 1.00 0.00 C ATOM 1194 C LEU A 75 1.377 5.576 10.193 1.00 0.00 C ATOM 1195 O LEU A 75 0.349 5.945 10.763 1.00 0.00 O ATOM 1196 CB LEU A 75 1.209 3.971 8.283 1.00 0.00 C ATOM 1197 CG LEU A 75 1.046 3.850 6.759 1.00 0.00 C ATOM 1198 CD1 LEU A 75 1.047 2.368 6.373 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -0.272 4.505 6.300 1.00 0.00 C ATOM 0 H LEU A 75 3.268 5.173 7.714 1.00 0.00 H new ATOM 0 HA LEU A 75 0.625 6.045 8.246 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.057 3.371 8.615 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.325 3.577 8.784 1.00 0.00 H new ATOM 0 HG LEU A 75 1.874 4.364 6.270 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.932 2.273 5.293 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.989 1.913 6.679 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.221 1.862 6.872 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.369 4.409 5.219 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.113 4.009 6.785 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.267 5.561 6.571 1.00 0.00 H new ATOM 1211 N ASN A 76 2.496 5.273 10.845 1.00 0.00 N ATOM 1212 CA ASN A 76 2.576 5.361 12.302 1.00 0.00 C ATOM 1213 C ASN A 76 2.354 6.795 12.766 1.00 0.00 C ATOM 1214 O ASN A 76 1.716 7.033 13.794 1.00 0.00 O ATOM 1215 CB ASN A 76 3.945 4.873 12.780 1.00 0.00 C ATOM 1216 CG ASN A 76 4.079 3.374 12.536 1.00 0.00 C ATOM 1217 OD1 ASN A 76 3.204 2.601 12.921 1.00 0.00 O ATOM 1218 ND2 ASN A 76 5.129 2.914 11.915 1.00 0.00 N ATOM 0 H ASN A 76 3.356 4.966 10.391 1.00 0.00 H new ATOM 0 HA ASN A 76 1.796 4.730 12.728 1.00 0.00 H new ATOM 0 HB2 ASN A 76 4.735 5.408 12.253 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.067 5.089 13.841 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.225 1.912 11.748 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.855 3.556 11.596 1.00 0.00 H new ATOM 1225 N GLU A 77 2.881 7.749 12.008 1.00 0.00 N ATOM 1226 CA GLU A 77 2.730 9.159 12.359 1.00 0.00 C ATOM 1227 C GLU A 77 1.256 9.512 12.528 1.00 0.00 C ATOM 1228 O GLU A 77 0.893 10.272 13.426 1.00 0.00 O ATOM 1229 CB GLU A 77 3.347 10.040 11.270 1.00 0.00 C ATOM 1230 CG GLU A 77 4.873 9.934 11.314 1.00 0.00 C ATOM 1231 CD GLU A 77 5.407 10.596 12.581 1.00 0.00 C ATOM 1232 OE1 GLU A 77 4.629 11.248 13.258 1.00 0.00 O ATOM 1233 OE2 GLU A 77 6.586 10.447 12.852 1.00 0.00 O ATOM 0 H GLU A 77 3.412 7.577 11.154 1.00 0.00 H new ATOM 0 HA GLU A 77 3.246 9.336 13.303 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.981 9.732 10.291 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.042 11.077 11.413 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.174 8.887 11.287 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.304 10.412 10.435 1.00 0.00 H new ATOM 1240 N ALA A 78 0.411 8.956 11.667 1.00 0.00 N ATOM 1241 CA ALA A 78 -1.020 9.223 11.741 1.00 0.00 C ATOM 1242 C ALA A 78 -1.654 8.422 12.873 1.00 0.00 C ATOM 1243 O ALA A 78 -2.821 8.040 12.798 1.00 0.00 O ATOM 1244 CB ALA A 78 -1.691 8.860 10.419 1.00 0.00 C ATOM 0 H ALA A 78 0.689 8.323 10.917 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.162 10.286 11.937 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.760 9.063 10.486 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.258 9.455 9.615 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.535 7.801 10.211 1.00 0.00 H new ATOM 1308 N ALA A 82 1.666 0.499 12.200 1.00 0.00 N ATOM 1309 CA ALA A 82 1.852 -0.277 10.978 1.00 0.00 C ATOM 1310 C ALA A 82 3.305 -0.722 10.847 1.00 0.00 C ATOM 1311 O ALA A 82 4.221 -0.017 11.269 1.00 0.00 O ATOM 1312 CB ALA A 82 1.454 0.567 9.763 1.00 0.00 C ATOM 0 HA ALA A 82 1.219 -1.163 11.025 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.595 -0.016 8.853 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.407 0.858 9.849 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.077 1.461 9.721 1.00 0.00 H new ATOM 1318 N ASN A 83 3.506 -1.893 10.256 1.00 0.00 N ATOM 1319 CA ASN A 83 4.852 -2.428 10.065 1.00 0.00 C ATOM 1320 C ASN A 83 4.878 -3.392 8.883 1.00 0.00 C ATOM 1321 O ASN A 83 3.830 -3.788 8.377 1.00 0.00 O ATOM 1322 CB ASN A 83 5.316 -3.146 11.333 1.00 0.00 C ATOM 1323 CG ASN A 83 4.213 -4.065 11.851 1.00 0.00 C ATOM 1324 OD1 ASN A 83 4.054 -4.225 13.060 1.00 0.00 O ATOM 1325 ND2 ASN A 83 3.436 -4.678 11.001 1.00 0.00 N ATOM 0 H ASN A 83 2.759 -2.490 9.901 1.00 0.00 H new ATOM 0 HA ASN A 83 5.529 -1.600 9.856 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.214 -3.726 11.123 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.580 -2.415 12.098 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.695 -5.292 11.339 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.570 -4.544 9.999 1.00 0.00 H new ATOM 1332 N VAL A 84 6.079 -3.767 8.446 1.00 0.00 N ATOM 1333 CA VAL A 84 6.222 -4.687 7.317 1.00 0.00 C ATOM 1334 C VAL A 84 6.382 -6.119 7.814 1.00 0.00 C ATOM 1335 O VAL A 84 7.455 -6.503 8.277 1.00 0.00 O ATOM 1336 CB VAL A 84 7.450 -4.304 6.491 1.00 0.00 C ATOM 1337 CG1 VAL A 84 7.421 -5.047 5.153 1.00 0.00 C ATOM 1338 CG2 VAL A 84 7.445 -2.795 6.237 1.00 0.00 C ATOM 0 H VAL A 84 6.960 -3.452 8.852 1.00 0.00 H new ATOM 0 HA VAL A 84 5.325 -4.620 6.701 1.00 0.00 H new ATOM 0 HB VAL A 84 8.353 -4.578 7.037 1.00 0.00 H new ATOM 0 HG11 VAL A 84 8.297 -4.773 4.565 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.427 -6.122 5.334 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.518 -4.776 4.606 1.00 0.00 H new ATOM 0 HG21 VAL A 84 8.321 -2.522 5.648 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.542 -2.521 5.692 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.469 -2.266 7.190 1.00 0.00 H new