USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 266 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 22 CYS SG : rot -160:sc= -0.879 USER MOD Set 1.2: A 25 CYS SG : rot 152:sc= 0.667 USER MOD Set 1.3: A 41 CYS SG : rot 180:sc= 0.351 USER MOD Set 1.4: A 42 SER OG : rot 180:sc= 0 USER MOD Set 1.5: A 45 CYS SG : rot 152:sc= 0.69 USER MOD Single : A 28 TYR OH : rot 58:sc= 1.25 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot -130:sc= -2.45 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 140:sc= -0.342 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= -1.48 K(o=-1.5,f=-3.9) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 237 N GLY A 18 10.571 9.675 8.950 1.00 0.00 N ATOM 238 CA GLY A 18 9.646 10.784 8.809 1.00 0.00 C ATOM 239 C GLY A 18 8.885 10.742 7.499 1.00 0.00 C ATOM 240 O GLY A 18 7.829 11.360 7.368 1.00 0.00 O ATOM 0 HA2 GLY A 18 8.938 10.770 9.637 1.00 0.00 H new ATOM 0 HA3 GLY A 18 10.196 11.723 8.876 1.00 0.00 H new ATOM 244 N GLU A 19 9.422 10.011 6.527 1.00 0.00 N ATOM 245 CA GLU A 19 8.786 9.893 5.220 1.00 0.00 C ATOM 246 C GLU A 19 7.703 8.818 5.237 1.00 0.00 C ATOM 247 O GLU A 19 7.677 7.941 6.101 1.00 0.00 O ATOM 248 CB GLU A 19 9.828 9.566 4.149 1.00 0.00 C ATOM 249 CG GLU A 19 10.172 10.744 3.254 1.00 0.00 C ATOM 250 CD GLU A 19 10.917 10.327 2.001 1.00 0.00 C ATOM 251 OE1 GLU A 19 11.766 9.417 2.090 1.00 0.00 O ATOM 252 OE2 GLU A 19 10.648 10.912 0.930 1.00 0.00 O ATOM 0 H GLU A 19 10.295 9.492 6.620 1.00 0.00 H new ATOM 0 HA GLU A 19 8.320 10.850 4.983 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.737 9.212 4.635 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.457 8.748 3.532 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.255 11.261 2.972 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.779 11.455 3.814 1.00 0.00 H new ATOM 259 N PRO A 20 6.787 8.887 4.260 1.00 0.00 N ATOM 260 CA PRO A 20 5.684 7.928 4.140 1.00 0.00 C ATOM 261 C PRO A 20 6.164 6.541 3.727 1.00 0.00 C ATOM 262 O PRO A 20 7.166 6.405 3.023 1.00 0.00 O ATOM 263 CB PRO A 20 4.802 8.537 3.047 1.00 0.00 C ATOM 264 CG PRO A 20 5.729 9.375 2.236 1.00 0.00 C ATOM 265 CD PRO A 20 6.757 9.905 3.197 1.00 0.00 C ATOM 0 HA PRO A 20 5.168 7.779 5.089 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.334 7.763 2.439 1.00 0.00 H new ATOM 0 HB3 PRO A 20 3.998 9.136 3.475 1.00 0.00 H new ATOM 0 HG2 PRO A 20 6.199 8.786 1.448 1.00 0.00 H new ATOM 0 HG3 PRO A 20 5.193 10.190 1.749 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.731 10.018 2.721 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.477 10.884 3.586 1.00 0.00 H new ATOM 273 N ILE A 21 5.444 5.515 4.166 1.00 0.00 N ATOM 274 CA ILE A 21 5.796 4.139 3.840 1.00 0.00 C ATOM 275 C ILE A 21 4.566 3.340 3.424 1.00 0.00 C ATOM 276 O ILE A 21 3.472 3.544 3.952 1.00 0.00 O ATOM 277 CB ILE A 21 6.474 3.434 5.030 1.00 0.00 C ATOM 278 CG1 ILE A 21 7.752 4.175 5.428 1.00 0.00 C ATOM 279 CG2 ILE A 21 6.782 1.985 4.682 1.00 0.00 C ATOM 280 CD1 ILE A 21 8.158 3.948 6.868 1.00 0.00 C ATOM 0 H ILE A 21 4.612 5.611 4.749 1.00 0.00 H new ATOM 0 HA ILE A 21 6.497 4.182 3.006 1.00 0.00 H new ATOM 0 HB ILE A 21 5.790 3.446 5.878 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.565 3.857 4.775 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.610 5.243 5.263 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.261 1.500 5.533 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.855 1.464 4.442 1.00 0.00 H new ATOM 0 HG23 ILE A 21 7.451 1.952 3.822 1.00 0.00 H new ATOM 0 HD11 ILE A 21 9.072 4.503 7.080 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.362 4.292 7.529 1.00 0.00 H new ATOM 0 HD13 ILE A 21 8.333 2.885 7.034 1.00 0.00 H new ATOM 292 N CYS A 22 4.752 2.429 2.475 1.00 0.00 N ATOM 293 CA CYS A 22 3.658 1.598 1.988 1.00 0.00 C ATOM 294 C CYS A 22 2.911 0.947 3.149 1.00 0.00 C ATOM 295 O CYS A 22 3.518 0.515 4.128 1.00 0.00 O ATOM 296 CB CYS A 22 4.191 0.520 1.042 1.00 0.00 C ATOM 297 SG CYS A 22 3.033 0.056 -0.286 1.00 0.00 S ATOM 0 H CYS A 22 5.651 2.248 2.028 1.00 0.00 H new ATOM 0 HA CYS A 22 2.963 2.238 1.445 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.119 0.873 0.593 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.436 -0.369 1.623 1.00 0.00 H new ATOM 0 HG CYS A 22 3.365 -1.106 -0.765 1.00 0.00 H new ATOM 302 N VAL A 23 1.588 0.881 3.031 1.00 0.00 N ATOM 303 CA VAL A 23 0.757 0.283 4.069 1.00 0.00 C ATOM 304 C VAL A 23 0.492 -1.190 3.779 1.00 0.00 C ATOM 305 O VAL A 23 -0.147 -1.885 4.570 1.00 0.00 O ATOM 306 CB VAL A 23 -0.589 1.018 4.204 1.00 0.00 C ATOM 307 CG1 VAL A 23 -0.382 2.407 4.791 1.00 0.00 C ATOM 308 CG2 VAL A 23 -1.289 1.099 2.856 1.00 0.00 C ATOM 0 H VAL A 23 1.069 1.234 2.227 1.00 0.00 H new ATOM 0 HA VAL A 23 1.307 0.373 5.006 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.226 0.453 4.885 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.344 2.912 4.879 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.074 2.321 5.777 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.272 2.984 4.138 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.239 1.622 2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.659 1.641 2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.472 0.092 2.480 1.00 0.00 H new ATOM 318 N VAL A 24 0.988 -1.662 2.639 1.00 0.00 N ATOM 319 CA VAL A 24 0.806 -3.054 2.245 1.00 0.00 C ATOM 320 C VAL A 24 2.148 -3.761 2.088 1.00 0.00 C ATOM 321 O VAL A 24 2.246 -4.976 2.259 1.00 0.00 O ATOM 322 CB VAL A 24 0.023 -3.165 0.923 1.00 0.00 C ATOM 323 CG1 VAL A 24 -1.399 -2.655 1.101 1.00 0.00 C ATOM 324 CG2 VAL A 24 0.736 -2.404 -0.184 1.00 0.00 C ATOM 0 H VAL A 24 1.519 -1.101 1.973 1.00 0.00 H new ATOM 0 HA VAL A 24 0.235 -3.536 3.039 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.026 -4.216 0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.937 -2.741 0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.905 -3.248 1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.375 -1.610 1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.169 -2.493 -1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.818 -1.353 0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.733 -2.820 -0.328 1.00 0.00 H new ATOM 334 N CYS A 25 3.181 -2.991 1.763 1.00 0.00 N ATOM 335 CA CYS A 25 4.519 -3.542 1.583 1.00 0.00 C ATOM 336 C CYS A 25 5.355 -3.364 2.847 1.00 0.00 C ATOM 337 O CYS A 25 5.511 -4.295 3.637 1.00 0.00 O ATOM 338 CB CYS A 25 5.215 -2.868 0.399 1.00 0.00 C ATOM 339 SG CYS A 25 4.420 -3.184 -1.209 1.00 0.00 S ATOM 0 H CYS A 25 3.117 -1.983 1.619 1.00 0.00 H new ATOM 0 HA CYS A 25 4.422 -4.609 1.380 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.244 -1.792 0.573 1.00 0.00 H new ATOM 0 HB3 CYS A 25 6.248 -3.212 0.355 1.00 0.00 H new ATOM 0 HG CYS A 25 4.653 -2.188 -2.011 1.00 0.00 H new ATOM 344 N GLY A 26 5.890 -2.161 3.032 1.00 0.00 N ATOM 345 CA GLY A 26 6.703 -1.883 4.201 1.00 0.00 C ATOM 346 C GLY A 26 8.081 -1.365 3.839 1.00 0.00 C ATOM 347 O GLY A 26 9.089 -1.852 4.352 1.00 0.00 O ATOM 0 H GLY A 26 5.775 -1.374 2.393 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.195 -1.149 4.827 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.804 -2.792 4.794 1.00 0.00 H new ATOM 351 N ARG A 27 8.126 -0.376 2.953 1.00 0.00 N ATOM 352 CA ARG A 27 9.391 0.206 2.520 1.00 0.00 C ATOM 353 C ARG A 27 9.288 1.725 2.430 1.00 0.00 C ATOM 354 O ARG A 27 9.826 2.445 3.271 1.00 0.00 O ATOM 355 CB ARG A 27 9.805 -0.370 1.164 1.00 0.00 C ATOM 356 CG ARG A 27 10.014 -1.875 1.180 1.00 0.00 C ATOM 357 CD ARG A 27 11.265 -2.256 1.955 1.00 0.00 C ATOM 358 NE ARG A 27 11.162 -3.591 2.538 1.00 0.00 N ATOM 359 CZ ARG A 27 11.359 -4.710 1.850 1.00 0.00 C ATOM 360 NH1 ARG A 27 11.667 -4.655 0.562 1.00 0.00 N ATOM 361 NH2 ARG A 27 11.248 -5.888 2.451 1.00 0.00 N ATOM 0 H ARG A 27 7.301 0.039 2.521 1.00 0.00 H new ATOM 0 HA ARG A 27 10.150 -0.046 3.260 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.041 -0.126 0.426 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.727 0.113 0.840 1.00 0.00 H new ATOM 0 HG2 ARG A 27 9.146 -2.359 1.628 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.092 -2.243 0.157 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.129 -2.216 1.291 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.437 -1.527 2.747 1.00 0.00 H new ATOM 0 HE ARG A 27 10.926 -3.668 3.527 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.753 -3.752 0.096 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.818 -5.516 0.036 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.011 -5.935 3.442 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.399 -6.747 1.922 1.00 0.00 H new ATOM 375 N TYR A 28 8.594 2.206 1.405 1.00 0.00 N ATOM 376 CA TYR A 28 8.422 3.640 1.202 1.00 0.00 C ATOM 377 C TYR A 28 7.141 3.931 0.428 1.00 0.00 C ATOM 378 O TYR A 28 6.702 3.128 -0.395 1.00 0.00 O ATOM 379 CB TYR A 28 9.626 4.218 0.456 1.00 0.00 C ATOM 380 CG TYR A 28 9.475 5.681 0.107 1.00 0.00 C ATOM 381 CD1 TYR A 28 9.320 6.641 1.100 1.00 0.00 C ATOM 382 CD2 TYR A 28 9.489 6.105 -1.217 1.00 0.00 C ATOM 383 CE1 TYR A 28 9.182 7.979 0.785 1.00 0.00 C ATOM 384 CE2 TYR A 28 9.353 7.441 -1.540 1.00 0.00 C ATOM 385 CZ TYR A 28 9.199 8.374 -0.536 1.00 0.00 C ATOM 386 OH TYR A 28 9.063 9.706 -0.854 1.00 0.00 O ATOM 0 H TYR A 28 8.141 1.624 0.701 1.00 0.00 H new ATOM 0 HA TYR A 28 8.348 4.114 2.181 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.519 4.089 1.068 1.00 0.00 H new ATOM 0 HB3 TYR A 28 9.783 3.649 -0.460 1.00 0.00 H new ATOM 0 HD1 TYR A 28 9.307 6.336 2.136 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.608 5.377 -2.006 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.061 8.712 1.569 1.00 0.00 H new ATOM 0 HE2 TYR A 28 9.367 7.754 -2.574 1.00 0.00 H new ATOM 0 HH TYR A 28 9.777 10.220 -0.422 1.00 0.00 H new ATOM 396 N GLY A 29 6.544 5.089 0.697 1.00 0.00 N ATOM 397 CA GLY A 29 5.319 5.468 0.018 1.00 0.00 C ATOM 398 C GLY A 29 5.465 6.760 -0.762 1.00 0.00 C ATOM 399 O GLY A 29 4.955 7.801 -0.350 1.00 0.00 O ATOM 0 H GLY A 29 6.887 5.771 1.373 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.021 4.669 -0.661 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.520 5.578 0.751 1.00 0.00 H new ATOM 403 N GLU A 30 6.164 6.692 -1.891 1.00 0.00 N ATOM 404 CA GLU A 30 6.377 7.867 -2.728 1.00 0.00 C ATOM 405 C GLU A 30 5.046 8.485 -3.147 1.00 0.00 C ATOM 406 O GLU A 30 4.973 9.673 -3.461 1.00 0.00 O ATOM 407 CB GLU A 30 7.193 7.495 -3.968 1.00 0.00 C ATOM 408 CG GLU A 30 7.820 8.691 -4.665 1.00 0.00 C ATOM 409 CD GLU A 30 9.081 8.329 -5.424 1.00 0.00 C ATOM 410 OE1 GLU A 30 9.046 7.351 -6.200 1.00 0.00 O ATOM 411 OE2 GLU A 30 10.104 9.022 -5.243 1.00 0.00 O ATOM 0 H GLU A 30 6.592 5.837 -2.247 1.00 0.00 H new ATOM 0 HA GLU A 30 6.931 8.602 -2.145 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.981 6.799 -3.679 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.548 6.971 -4.673 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.097 9.125 -5.356 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.053 9.457 -3.925 1.00 0.00 H new ATOM 418 N TYR A 31 3.997 7.670 -3.150 1.00 0.00 N ATOM 419 CA TYR A 31 2.670 8.134 -3.533 1.00 0.00 C ATOM 420 C TYR A 31 1.748 8.210 -2.320 1.00 0.00 C ATOM 421 O TYR A 31 1.874 7.424 -1.380 1.00 0.00 O ATOM 422 CB TYR A 31 2.066 7.206 -4.589 1.00 0.00 C ATOM 423 CG TYR A 31 2.884 7.119 -5.857 1.00 0.00 C ATOM 424 CD1 TYR A 31 3.439 8.258 -6.429 1.00 0.00 C ATOM 425 CD2 TYR A 31 3.102 5.899 -6.485 1.00 0.00 C ATOM 426 CE1 TYR A 31 4.186 8.185 -7.588 1.00 0.00 C ATOM 427 CE2 TYR A 31 3.849 5.816 -7.644 1.00 0.00 C ATOM 428 CZ TYR A 31 4.389 6.961 -8.192 1.00 0.00 C ATOM 429 OH TYR A 31 5.133 6.882 -9.347 1.00 0.00 O ATOM 0 H TYR A 31 4.041 6.684 -2.891 1.00 0.00 H new ATOM 0 HA TYR A 31 2.771 9.135 -3.954 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.960 6.207 -4.165 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.063 7.555 -4.837 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.283 9.217 -5.958 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.680 5.000 -6.060 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.609 9.080 -8.019 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.009 4.859 -8.119 1.00 0.00 H new ATOM 0 HH TYR A 31 5.181 5.949 -9.642 1.00 0.00 H new ATOM 439 N ILE A 32 0.820 9.161 -2.348 1.00 0.00 N ATOM 440 CA ILE A 32 -0.124 9.339 -1.252 1.00 0.00 C ATOM 441 C ILE A 32 -1.513 9.689 -1.775 1.00 0.00 C ATOM 442 O ILE A 32 -1.673 10.611 -2.576 1.00 0.00 O ATOM 443 CB ILE A 32 0.339 10.443 -0.283 1.00 0.00 C ATOM 444 CG1 ILE A 32 1.666 10.053 0.371 1.00 0.00 C ATOM 445 CG2 ILE A 32 -0.724 10.699 0.775 1.00 0.00 C ATOM 446 CD1 ILE A 32 2.878 10.626 -0.330 1.00 0.00 C ATOM 0 H ILE A 32 0.702 9.820 -3.118 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.167 8.391 -0.716 1.00 0.00 H new ATOM 0 HB ILE A 32 0.490 11.363 -0.848 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.663 10.390 1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.747 8.966 0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.382 11.482 1.452 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.649 11.015 0.293 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.904 9.784 1.339 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.782 10.308 0.189 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.906 10.269 -1.359 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.820 11.714 -0.325 1.00 0.00 H new ATOM 458 N CYS A 33 -2.516 8.947 -1.317 1.00 0.00 N ATOM 459 CA CYS A 33 -3.893 9.179 -1.738 1.00 0.00 C ATOM 460 C CYS A 33 -4.424 10.488 -1.163 1.00 0.00 C ATOM 461 O CYS A 33 -3.692 11.233 -0.512 1.00 0.00 O ATOM 462 CB CYS A 33 -4.785 8.016 -1.299 1.00 0.00 C ATOM 463 SG CYS A 33 -5.955 7.466 -2.563 1.00 0.00 S ATOM 0 H CYS A 33 -2.401 8.180 -0.654 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.908 9.249 -2.826 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.153 7.175 -1.013 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.341 8.314 -0.410 1.00 0.00 H new ATOM 0 HG CYS A 33 -7.147 7.393 -2.049 1.00 0.00 H new ATOM 469 N ASP A 34 -5.700 10.761 -1.410 1.00 0.00 N ATOM 470 CA ASP A 34 -6.330 11.981 -0.918 1.00 0.00 C ATOM 471 C ASP A 34 -7.392 11.660 0.129 1.00 0.00 C ATOM 472 O ASP A 34 -7.331 12.143 1.260 1.00 0.00 O ATOM 473 CB ASP A 34 -6.956 12.760 -2.076 1.00 0.00 C ATOM 474 CG ASP A 34 -5.938 13.590 -2.833 1.00 0.00 C ATOM 475 OD1 ASP A 34 -4.886 13.036 -3.214 1.00 0.00 O ATOM 476 OD2 ASP A 34 -6.194 14.794 -3.045 1.00 0.00 O ATOM 0 H ASP A 34 -6.319 10.154 -1.948 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.560 12.596 -0.452 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.434 12.062 -2.763 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.738 13.413 -1.690 1.00 0.00 H new ATOM 481 N LYS A 35 -8.366 10.842 -0.255 1.00 0.00 N ATOM 482 CA LYS A 35 -9.443 10.456 0.649 1.00 0.00 C ATOM 483 C LYS A 35 -8.888 9.773 1.895 1.00 0.00 C ATOM 484 O LYS A 35 -9.248 10.122 3.020 1.00 0.00 O ATOM 485 CB LYS A 35 -10.424 9.522 -0.063 1.00 0.00 C ATOM 486 CG LYS A 35 -11.170 10.183 -1.210 1.00 0.00 C ATOM 487 CD LYS A 35 -11.053 9.374 -2.491 1.00 0.00 C ATOM 488 CE LYS A 35 -11.335 10.229 -3.717 1.00 0.00 C ATOM 489 NZ LYS A 35 -11.213 9.447 -4.978 1.00 0.00 N ATOM 0 H LYS A 35 -8.432 10.433 -1.187 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.969 11.360 0.955 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.879 8.659 -0.445 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.147 9.147 0.662 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.221 10.296 -0.945 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.773 11.185 -1.374 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.052 8.949 -2.564 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.752 8.538 -2.460 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.339 10.648 -3.645 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.641 11.069 -3.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.413 10.065 -5.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.248 9.069 -5.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.893 8.660 -4.966 1.00 0.00 H new ATOM 503 N THR A 36 -8.008 8.798 1.688 1.00 0.00 N ATOM 504 CA THR A 36 -7.404 8.066 2.794 1.00 0.00 C ATOM 505 C THR A 36 -6.090 8.708 3.224 1.00 0.00 C ATOM 506 O THR A 36 -5.676 8.585 4.377 1.00 0.00 O ATOM 507 CB THR A 36 -7.145 6.595 2.420 1.00 0.00 C ATOM 508 OG1 THR A 36 -6.827 6.492 1.027 1.00 0.00 O ATOM 509 CG2 THR A 36 -8.360 5.735 2.733 1.00 0.00 C ATOM 0 H THR A 36 -7.698 8.497 0.764 1.00 0.00 H new ATOM 0 HA THR A 36 -8.112 8.103 3.622 1.00 0.00 H new ATOM 0 HB THR A 36 -6.303 6.236 3.012 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.108 5.838 0.903 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.153 4.700 2.460 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.581 5.792 3.799 1.00 0.00 H new ATOM 0 HG23 THR A 36 -9.217 6.096 2.165 1.00 0.00 H new ATOM 517 N ASP A 37 -5.438 9.393 2.291 1.00 0.00 N ATOM 518 CA ASP A 37 -4.170 10.057 2.575 1.00 0.00 C ATOM 519 C ASP A 37 -3.101 9.041 2.964 1.00 0.00 C ATOM 520 O ASP A 37 -2.071 9.399 3.534 1.00 0.00 O ATOM 521 CB ASP A 37 -4.347 11.084 3.694 1.00 0.00 C ATOM 522 CG ASP A 37 -5.547 11.984 3.470 1.00 0.00 C ATOM 523 OD1 ASP A 37 -6.683 11.528 3.714 1.00 0.00 O ATOM 524 OD2 ASP A 37 -5.349 13.143 3.050 1.00 0.00 O ATOM 0 H ASP A 37 -5.766 9.503 1.332 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.846 10.571 1.670 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.459 10.564 4.646 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.447 11.695 3.768 1.00 0.00 H new ATOM 529 N GLU A 38 -3.354 7.774 2.653 1.00 0.00 N ATOM 530 CA GLU A 38 -2.413 6.707 2.972 1.00 0.00 C ATOM 531 C GLU A 38 -1.118 6.869 2.182 1.00 0.00 C ATOM 532 O GLU A 38 -0.892 7.898 1.544 1.00 0.00 O ATOM 533 CB GLU A 38 -3.036 5.341 2.676 1.00 0.00 C ATOM 534 CG GLU A 38 -2.987 4.381 3.853 1.00 0.00 C ATOM 535 CD GLU A 38 -3.978 4.742 4.942 1.00 0.00 C ATOM 536 OE1 GLU A 38 -4.881 5.563 4.675 1.00 0.00 O ATOM 537 OE2 GLU A 38 -3.851 4.203 6.061 1.00 0.00 O ATOM 0 H GLU A 38 -4.202 7.461 2.181 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.180 6.769 4.035 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.074 5.482 2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.518 4.891 1.829 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.192 3.370 3.501 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.980 4.375 4.271 1.00 0.00 H new ATOM 544 N ASP A 39 -0.270 5.847 2.231 1.00 0.00 N ATOM 545 CA ASP A 39 1.003 5.876 1.520 1.00 0.00 C ATOM 546 C ASP A 39 1.252 4.554 0.800 1.00 0.00 C ATOM 547 O ASP A 39 1.059 3.479 1.368 1.00 0.00 O ATOM 548 CB ASP A 39 2.148 6.165 2.492 1.00 0.00 C ATOM 549 CG ASP A 39 1.920 7.431 3.294 1.00 0.00 C ATOM 550 OD1 ASP A 39 1.367 8.398 2.732 1.00 0.00 O ATOM 551 OD2 ASP A 39 2.296 7.454 4.485 1.00 0.00 O ATOM 0 H ASP A 39 -0.441 4.989 2.755 1.00 0.00 H new ATOM 0 HA ASP A 39 0.959 6.672 0.777 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.264 5.322 3.174 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.080 6.254 1.934 1.00 0.00 H new ATOM 556 N VAL A 40 1.682 4.642 -0.455 1.00 0.00 N ATOM 557 CA VAL A 40 1.958 3.454 -1.254 1.00 0.00 C ATOM 558 C VAL A 40 3.155 3.674 -2.171 1.00 0.00 C ATOM 559 O VAL A 40 3.558 4.810 -2.423 1.00 0.00 O ATOM 560 CB VAL A 40 0.738 3.055 -2.107 1.00 0.00 C ATOM 561 CG1 VAL A 40 -0.307 2.357 -1.250 1.00 0.00 C ATOM 562 CG2 VAL A 40 0.147 4.276 -2.794 1.00 0.00 C ATOM 0 H VAL A 40 1.847 5.524 -0.940 1.00 0.00 H new ATOM 0 HA VAL A 40 2.183 2.648 -0.555 1.00 0.00 H new ATOM 0 HB VAL A 40 1.067 2.357 -2.877 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.161 2.083 -1.869 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.125 1.459 -0.809 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.635 3.029 -0.457 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.713 3.976 -3.392 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.168 5.000 -2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.898 4.729 -3.441 1.00 0.00 H new ATOM 572 N CYS A 41 3.722 2.579 -2.668 1.00 0.00 N ATOM 573 CA CYS A 41 4.874 2.651 -3.558 1.00 0.00 C ATOM 574 C CYS A 41 4.443 2.531 -5.017 1.00 0.00 C ATOM 575 O CYS A 41 4.973 3.219 -5.890 1.00 0.00 O ATOM 576 CB CYS A 41 5.876 1.546 -3.219 1.00 0.00 C ATOM 577 SG CYS A 41 5.226 -0.141 -3.440 1.00 0.00 S ATOM 0 H CYS A 41 3.402 1.631 -2.469 1.00 0.00 H new ATOM 0 HA CYS A 41 5.351 3.621 -3.417 1.00 0.00 H new ATOM 0 HB2 CYS A 41 6.760 1.668 -3.844 1.00 0.00 H new ATOM 0 HB3 CYS A 41 6.198 1.667 -2.185 1.00 0.00 H new ATOM 0 HG CYS A 41 6.147 -1.005 -3.130 1.00 0.00 H new ATOM 582 N SER A 42 3.478 1.654 -5.273 1.00 0.00 N ATOM 583 CA SER A 42 2.978 1.441 -6.626 1.00 0.00 C ATOM 584 C SER A 42 1.470 1.663 -6.689 1.00 0.00 C ATOM 585 O SER A 42 0.796 1.721 -5.660 1.00 0.00 O ATOM 586 CB SER A 42 3.317 0.027 -7.102 1.00 0.00 C ATOM 587 OG SER A 42 4.719 -0.174 -7.146 1.00 0.00 O ATOM 0 H SER A 42 3.027 1.079 -4.561 1.00 0.00 H new ATOM 0 HA SER A 42 3.462 2.163 -7.283 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.863 -0.704 -6.433 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.891 -0.139 -8.092 1.00 0.00 H new ATOM 0 HG SER A 42 4.909 -1.086 -7.451 1.00 0.00 H new ATOM 593 N LEU A 43 0.947 1.787 -7.904 1.00 0.00 N ATOM 594 CA LEU A 43 -0.482 2.003 -8.103 1.00 0.00 C ATOM 595 C LEU A 43 -1.288 0.808 -7.606 1.00 0.00 C ATOM 596 O LEU A 43 -2.383 0.966 -7.068 1.00 0.00 O ATOM 597 CB LEU A 43 -0.779 2.252 -9.583 1.00 0.00 C ATOM 598 CG LEU A 43 -0.127 3.491 -10.199 1.00 0.00 C ATOM 599 CD1 LEU A 43 -0.760 3.815 -11.543 1.00 0.00 C ATOM 600 CD2 LEU A 43 -0.239 4.678 -9.254 1.00 0.00 C ATOM 0 H LEU A 43 1.491 1.742 -8.766 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.775 2.881 -7.527 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.458 1.378 -10.149 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.859 2.334 -9.708 1.00 0.00 H new ATOM 0 HG LEU A 43 0.930 3.280 -10.360 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.283 4.699 -11.966 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.627 2.972 -12.221 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.824 4.007 -11.407 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.230 5.551 -9.709 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.290 4.891 -9.060 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.263 4.444 -8.315 1.00 0.00 H new ATOM 612 N GLU A 44 -0.737 -0.388 -7.787 1.00 0.00 N ATOM 613 CA GLU A 44 -1.405 -1.610 -7.355 1.00 0.00 C ATOM 614 C GLU A 44 -1.656 -1.590 -5.850 1.00 0.00 C ATOM 615 O GLU A 44 -2.707 -2.025 -5.378 1.00 0.00 O ATOM 616 CB GLU A 44 -0.566 -2.835 -7.726 1.00 0.00 C ATOM 617 CG GLU A 44 -1.092 -4.134 -7.139 1.00 0.00 C ATOM 618 CD GLU A 44 -0.288 -5.341 -7.579 1.00 0.00 C ATOM 619 OE1 GLU A 44 0.934 -5.367 -7.319 1.00 0.00 O ATOM 620 OE2 GLU A 44 -0.878 -6.260 -8.184 1.00 0.00 O ATOM 0 H GLU A 44 0.170 -0.537 -8.230 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.366 -1.668 -7.866 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.530 -2.925 -8.812 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.458 -2.680 -7.385 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.077 -4.069 -6.051 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.132 -4.267 -7.436 1.00 0.00 H new ATOM 627 N CYS A 45 -0.684 -1.081 -5.100 1.00 0.00 N ATOM 628 CA CYS A 45 -0.797 -1.004 -3.649 1.00 0.00 C ATOM 629 C CYS A 45 -1.886 -0.016 -3.240 1.00 0.00 C ATOM 630 O CYS A 45 -2.664 -0.276 -2.322 1.00 0.00 O ATOM 631 CB CYS A 45 0.540 -0.589 -3.033 1.00 0.00 C ATOM 632 SG CYS A 45 1.917 -1.719 -3.414 1.00 0.00 S ATOM 0 H CYS A 45 0.192 -0.715 -5.474 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.069 -1.992 -3.278 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.796 0.410 -3.386 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.425 -0.525 -1.951 1.00 0.00 H new ATOM 0 HG CYS A 45 3.037 -1.059 -3.399 1.00 0.00 H new ATOM 637 N LYS A 46 -1.936 1.120 -3.929 1.00 0.00 N ATOM 638 CA LYS A 46 -2.929 2.147 -3.641 1.00 0.00 C ATOM 639 C LYS A 46 -4.335 1.555 -3.621 1.00 0.00 C ATOM 640 O LYS A 46 -4.992 1.526 -2.580 1.00 0.00 O ATOM 641 CB LYS A 46 -2.851 3.267 -4.681 1.00 0.00 C ATOM 642 CG LYS A 46 -3.416 4.590 -4.193 1.00 0.00 C ATOM 643 CD LYS A 46 -3.500 5.609 -5.317 1.00 0.00 C ATOM 644 CE LYS A 46 -3.129 7.003 -4.835 1.00 0.00 C ATOM 645 NZ LYS A 46 -2.238 7.705 -5.799 1.00 0.00 N ATOM 0 H LYS A 46 -1.299 1.352 -4.691 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.713 2.559 -2.655 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.810 3.411 -4.971 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.391 2.959 -5.576 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.408 4.430 -3.771 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.789 4.981 -3.392 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.834 5.314 -6.128 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.511 5.621 -5.724 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.036 7.589 -4.686 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.633 6.932 -3.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.008 8.651 -5.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.361 7.159 -5.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.721 7.796 -6.716 1.00 0.00 H new ATOM 659 N ALA A 47 -4.789 1.082 -4.776 1.00 0.00 N ATOM 660 CA ALA A 47 -6.115 0.487 -4.890 1.00 0.00 C ATOM 661 C ALA A 47 -6.258 -0.716 -3.964 1.00 0.00 C ATOM 662 O ALA A 47 -7.349 -1.011 -3.475 1.00 0.00 O ATOM 663 CB ALA A 47 -6.390 0.082 -6.331 1.00 0.00 C ATOM 0 H ALA A 47 -4.258 1.099 -5.647 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.849 1.234 -4.588 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.384 -0.361 -6.401 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.339 0.962 -6.972 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.645 -0.646 -6.653 1.00 0.00 H new ATOM 669 N LYS A 48 -5.149 -1.410 -3.728 1.00 0.00 N ATOM 670 CA LYS A 48 -5.150 -2.582 -2.860 1.00 0.00 C ATOM 671 C LYS A 48 -5.573 -2.209 -1.443 1.00 0.00 C ATOM 672 O LYS A 48 -6.170 -3.016 -0.729 1.00 0.00 O ATOM 673 CB LYS A 48 -3.762 -3.226 -2.837 1.00 0.00 C ATOM 674 CG LYS A 48 -3.640 -4.440 -3.741 1.00 0.00 C ATOM 675 CD LYS A 48 -2.497 -5.344 -3.309 1.00 0.00 C ATOM 676 CE LYS A 48 -2.853 -6.131 -2.057 1.00 0.00 C ATOM 677 NZ LYS A 48 -2.450 -7.560 -2.167 1.00 0.00 N ATOM 0 H LYS A 48 -4.238 -1.181 -4.126 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.869 -3.298 -3.258 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.022 -2.484 -3.137 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.524 -3.519 -1.815 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.574 -5.001 -3.726 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.479 -4.115 -4.769 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.252 -6.034 -4.117 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.607 -4.743 -3.122 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.363 -5.681 -1.194 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.927 -6.069 -1.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.710 -8.062 -1.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.937 -7.997 -2.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.421 -7.621 -2.308 1.00 0.00 H new ATOM 691 N HIS A 49 -5.261 -0.981 -1.041 1.00 0.00 N ATOM 692 CA HIS A 49 -5.611 -0.501 0.291 1.00 0.00 C ATOM 693 C HIS A 49 -6.945 0.239 0.269 1.00 0.00 C ATOM 694 O HIS A 49 -7.717 0.178 1.228 1.00 0.00 O ATOM 695 CB HIS A 49 -4.514 0.419 0.830 1.00 0.00 C ATOM 696 CG HIS A 49 -4.907 1.158 2.071 1.00 0.00 C ATOM 697 ND1 HIS A 49 -4.844 0.600 3.331 1.00 0.00 N ATOM 698 CD2 HIS A 49 -5.369 2.418 2.242 1.00 0.00 C ATOM 699 CE1 HIS A 49 -5.252 1.485 4.223 1.00 0.00 C ATOM 700 NE2 HIS A 49 -5.576 2.597 3.588 1.00 0.00 N ATOM 0 H HIS A 49 -4.767 -0.301 -1.618 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.705 -1.366 0.948 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.623 -0.174 1.037 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -4.244 1.140 0.058 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -4.531 -0.348 3.541 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -5.543 3.147 1.465 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.311 1.326 5.290 1.00 0.00 H new ATOM 708 N LEU A 50 -7.210 0.938 -0.829 1.00 0.00 N ATOM 709 CA LEU A 50 -8.451 1.691 -0.975 1.00 0.00 C ATOM 710 C LEU A 50 -9.657 0.756 -0.988 1.00 0.00 C ATOM 711 O LEU A 50 -10.584 0.910 -0.192 1.00 0.00 O ATOM 712 CB LEU A 50 -8.420 2.518 -2.261 1.00 0.00 C ATOM 713 CG LEU A 50 -7.424 3.678 -2.289 1.00 0.00 C ATOM 714 CD1 LEU A 50 -7.549 4.459 -3.588 1.00 0.00 C ATOM 715 CD2 LEU A 50 -7.637 4.593 -1.092 1.00 0.00 C ATOM 0 H LEU A 50 -6.583 0.999 -1.631 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.543 2.362 -0.121 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.194 1.851 -3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.419 2.918 -2.436 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.416 3.267 -2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.832 5.280 -3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.345 3.798 -4.431 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.559 4.859 -3.676 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.919 5.413 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.650 4.996 -1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.495 4.027 -0.171 1.00 0.00 H new ATOM 727 N LEU A 51 -9.637 -0.214 -1.895 1.00 0.00 N ATOM 728 CA LEU A 51 -10.727 -1.177 -2.010 1.00 0.00 C ATOM 729 C LEU A 51 -10.863 -2.001 -0.734 1.00 0.00 C ATOM 730 O LEU A 51 -11.887 -2.646 -0.507 1.00 0.00 O ATOM 731 CB LEU A 51 -10.493 -2.102 -3.206 1.00 0.00 C ATOM 732 CG LEU A 51 -9.947 -3.492 -2.881 1.00 0.00 C ATOM 733 CD1 LEU A 51 -9.922 -4.361 -4.129 1.00 0.00 C ATOM 734 CD2 LEU A 51 -8.555 -3.390 -2.273 1.00 0.00 C ATOM 0 H LEU A 51 -8.878 -0.355 -2.562 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.653 -0.623 -2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.436 -2.219 -3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.800 -1.612 -3.889 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.608 -3.959 -2.151 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.530 -5.347 -3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.933 -4.462 -4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.284 -3.898 -4.882 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.182 -4.389 -2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.884 -2.903 -2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.601 -2.805 -1.355 1.00 0.00 H new ATOM 746 N GLN A 52 -9.826 -1.972 0.096 1.00 0.00 N ATOM 747 CA GLN A 52 -9.831 -2.716 1.350 1.00 0.00 C ATOM 748 C GLN A 52 -10.428 -1.878 2.477 1.00 0.00 C ATOM 749 O GLN A 52 -10.933 -2.415 3.463 1.00 0.00 O ATOM 750 CB GLN A 52 -8.410 -3.148 1.718 1.00 0.00 C ATOM 751 CG GLN A 52 -8.035 -4.521 1.185 1.00 0.00 C ATOM 752 CD GLN A 52 -8.132 -5.604 2.242 1.00 0.00 C ATOM 753 OE1 GLN A 52 -9.144 -6.297 2.347 1.00 0.00 O ATOM 754 NE2 GLN A 52 -7.076 -5.755 3.032 1.00 0.00 N ATOM 0 H GLN A 52 -8.972 -1.442 -0.077 1.00 0.00 H new ATOM 0 HA GLN A 52 -10.449 -3.604 1.214 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.704 -2.412 1.332 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -8.309 -3.149 2.803 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.689 -4.774 0.350 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.018 -4.490 0.795 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.258 -5.158 2.909 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.083 -6.468 3.762 1.00 0.00 H new ATOM 763 N VAL A 53 -10.365 -0.559 2.324 1.00 0.00 N ATOM 764 CA VAL A 53 -10.900 0.352 3.329 1.00 0.00 C ATOM 765 C VAL A 53 -12.407 0.521 3.171 1.00 0.00 C ATOM 766 O VAL A 53 -13.115 0.813 4.136 1.00 0.00 O ATOM 767 CB VAL A 53 -10.228 1.736 3.245 1.00 0.00 C ATOM 768 CG1 VAL A 53 -10.877 2.705 4.222 1.00 0.00 C ATOM 769 CG2 VAL A 53 -8.735 1.620 3.509 1.00 0.00 C ATOM 0 H VAL A 53 -9.949 -0.098 1.515 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.687 -0.090 4.303 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.366 2.127 2.237 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.389 3.677 4.148 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.935 2.811 3.981 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.773 2.323 5.237 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.277 2.607 3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.573 1.208 4.505 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.284 0.962 2.766 1.00 0.00 H new