USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=11 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 30 SER OG : rot 133:sc= 1.13 USER MOD Set 1.2: A 72 THR OG1 : rot 126:sc= 0.265 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -14.8! C(o=-15!,f=-18!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -6.53! C(o=-6.5!,f=-11!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -110:sc= 0.691 USER MOD Single : A 47 THR OG1 : rot 170:sc= 0.564 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.42 X(o=-1.4,f=-1.3) USER MOD Single : A 54 CYS SG : rot -34:sc= -7.05! USER MOD Single : A 57 LYS NZ :NH3+ -142:sc= -0.272 (180deg=-2!) USER MOD Single : A 58 SER OG : rot 170:sc= -2.72! USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00657) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 68 GLN : amide:sc= -0.468 X(o=-0.47,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 239 N TYR A 18 -0.357 -9.373 2.666 1.00 0.00 N ATOM 240 CA TYR A 18 0.191 -8.109 3.227 1.00 0.00 C ATOM 241 C TYR A 18 1.646 -7.944 2.793 1.00 0.00 C ATOM 242 O TYR A 18 2.474 -8.806 3.014 1.00 0.00 O ATOM 243 CB TYR A 18 0.085 -8.251 4.745 1.00 0.00 C ATOM 244 CG TYR A 18 -1.370 -8.243 5.161 1.00 0.00 C ATOM 245 CD1 TYR A 18 -2.356 -7.762 4.288 1.00 0.00 C ATOM 246 CD2 TYR A 18 -1.732 -8.717 6.428 1.00 0.00 C ATOM 247 CE1 TYR A 18 -3.700 -7.757 4.684 1.00 0.00 C ATOM 248 CE2 TYR A 18 -3.074 -8.712 6.822 1.00 0.00 C ATOM 249 CZ TYR A 18 -4.058 -8.232 5.951 1.00 0.00 C ATOM 250 OH TYR A 18 -5.383 -8.227 6.341 1.00 0.00 O ATOM 0 HA TYR A 18 -0.351 -7.230 2.878 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.559 -9.178 5.067 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.617 -7.435 5.234 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.080 -7.395 3.310 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.974 -9.087 7.102 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.460 -7.387 4.012 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.351 -9.079 7.799 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.458 -8.591 7.248 1.00 0.00 H new ATOM 260 N GLN A 19 1.957 -6.846 2.163 1.00 0.00 N ATOM 261 CA GLN A 19 3.353 -6.621 1.694 1.00 0.00 C ATOM 262 C GLN A 19 4.356 -7.115 2.737 1.00 0.00 C ATOM 263 O GLN A 19 4.310 -6.738 3.892 1.00 0.00 O ATOM 264 CB GLN A 19 3.464 -5.104 1.491 1.00 0.00 C ATOM 265 CG GLN A 19 4.895 -4.636 1.748 1.00 0.00 C ATOM 266 CD GLN A 19 5.728 -4.847 0.486 1.00 0.00 C ATOM 267 OE1 GLN A 19 6.382 -3.939 0.016 1.00 0.00 O ATOM 268 NE2 GLN A 19 5.734 -6.017 -0.084 1.00 0.00 N ATOM 0 H GLN A 19 1.303 -6.092 1.952 1.00 0.00 H new ATOM 0 HA GLN A 19 3.574 -7.167 0.777 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.166 -4.844 0.475 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.780 -4.589 2.165 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.901 -3.583 2.030 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.328 -5.191 2.580 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.184 -6.780 0.311 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.289 -6.171 -0.926 1.00 0.00 H new ATOM 277 N LYS A 20 5.271 -7.949 2.330 1.00 0.00 N ATOM 278 CA LYS A 20 6.295 -8.464 3.283 1.00 0.00 C ATOM 279 C LYS A 20 7.524 -7.557 3.241 1.00 0.00 C ATOM 280 O LYS A 20 8.100 -7.218 4.256 1.00 0.00 O ATOM 281 CB LYS A 20 6.641 -9.866 2.781 1.00 0.00 C ATOM 282 CG LYS A 20 6.091 -10.910 3.756 1.00 0.00 C ATOM 283 CD LYS A 20 4.983 -11.712 3.073 1.00 0.00 C ATOM 284 CE LYS A 20 5.526 -12.347 1.791 1.00 0.00 C ATOM 285 NZ LYS A 20 5.364 -13.815 1.991 1.00 0.00 N ATOM 0 H LYS A 20 5.355 -8.298 1.375 1.00 0.00 H new ATOM 0 HA LYS A 20 5.939 -8.487 4.313 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.219 -10.022 1.788 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.722 -9.974 2.688 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.890 -11.577 4.080 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.702 -10.420 4.649 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.612 -12.486 3.746 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.140 -11.062 2.840 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.974 -12.004 0.916 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.571 -12.083 1.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.715 -14.320 1.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.906 -14.113 2.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.358 -14.037 2.133 1.00 0.00 H new ATOM 299 N ARG A 21 7.919 -7.149 2.066 1.00 0.00 N ATOM 300 CA ARG A 21 9.097 -6.248 1.939 1.00 0.00 C ATOM 301 C ARG A 21 8.672 -4.812 2.219 1.00 0.00 C ATOM 302 O ARG A 21 7.513 -4.471 2.112 1.00 0.00 O ATOM 303 CB ARG A 21 9.558 -6.399 0.488 1.00 0.00 C ATOM 304 CG ARG A 21 10.768 -7.332 0.433 1.00 0.00 C ATOM 305 CD ARG A 21 10.522 -8.428 -0.607 1.00 0.00 C ATOM 306 NE ARG A 21 9.709 -9.454 0.102 1.00 0.00 N ATOM 307 CZ ARG A 21 10.123 -10.691 0.156 1.00 0.00 C ATOM 308 NH1 ARG A 21 10.876 -11.170 -0.796 1.00 0.00 N ATOM 309 NH2 ARG A 21 9.782 -11.449 1.161 1.00 0.00 N ATOM 0 H ARG A 21 7.473 -7.403 1.184 1.00 0.00 H new ATOM 0 HA ARG A 21 9.893 -6.495 2.642 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.748 -6.799 -0.122 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.817 -5.425 0.074 1.00 0.00 H new ATOM 0 HG2 ARG A 21 11.664 -6.767 0.177 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.941 -7.778 1.412 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.993 -8.036 -1.476 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.461 -8.848 -0.968 1.00 0.00 H new ATOM 0 HE ARG A 21 8.829 -9.191 0.545 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.142 -10.578 -1.583 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.199 -12.137 -0.753 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.192 -11.075 1.904 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.105 -12.415 1.204 1.00 0.00 H new ATOM 323 N PRO A 22 9.632 -4.016 2.570 1.00 0.00 N ATOM 324 CA PRO A 22 9.362 -2.596 2.868 1.00 0.00 C ATOM 325 C PRO A 22 9.006 -1.834 1.596 1.00 0.00 C ATOM 326 O PRO A 22 9.623 -1.992 0.562 1.00 0.00 O ATOM 327 CB PRO A 22 10.664 -2.097 3.468 1.00 0.00 C ATOM 328 CG PRO A 22 11.713 -3.033 2.951 1.00 0.00 C ATOM 329 CD PRO A 22 11.045 -4.360 2.722 1.00 0.00 C ATOM 0 HA PRO A 22 8.515 -2.456 3.540 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.869 -1.070 3.167 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.627 -2.109 4.557 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.145 -2.654 2.025 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.529 -3.131 3.667 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.434 -4.856 1.833 1.00 0.00 H new ATOM 0 HD3 PRO A 22 11.204 -5.038 3.560 1.00 0.00 H new ATOM 337 N LEU A 23 8.002 -1.017 1.676 1.00 0.00 N ATOM 338 CA LEU A 23 7.568 -0.237 0.488 1.00 0.00 C ATOM 339 C LEU A 23 7.567 1.261 0.795 1.00 0.00 C ATOM 340 O LEU A 23 7.030 1.694 1.794 1.00 0.00 O ATOM 341 CB LEU A 23 6.156 -0.729 0.203 1.00 0.00 C ATOM 342 CG LEU A 23 6.172 -1.554 -1.075 1.00 0.00 C ATOM 343 CD1 LEU A 23 4.849 -2.309 -1.219 1.00 0.00 C ATOM 344 CD2 LEU A 23 6.363 -0.620 -2.272 1.00 0.00 C ATOM 0 H LEU A 23 7.456 -0.853 2.522 1.00 0.00 H new ATOM 0 HA LEU A 23 8.234 -0.375 -0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.791 -1.330 1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.476 0.116 0.098 1.00 0.00 H new ATOM 0 HG LEU A 23 6.990 -2.273 -1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.864 -2.899 -2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.713 -2.971 -0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.026 -1.596 -1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.375 -1.205 -3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.543 0.097 -2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.307 -0.085 -2.169 1.00 0.00 H new ATOM 356 N PRO A 24 8.175 2.004 -0.090 1.00 0.00 N ATOM 357 CA PRO A 24 8.252 3.473 0.070 1.00 0.00 C ATOM 358 C PRO A 24 6.899 4.114 -0.247 1.00 0.00 C ATOM 359 O PRO A 24 5.932 3.436 -0.531 1.00 0.00 O ATOM 360 CB PRO A 24 9.303 3.891 -0.954 1.00 0.00 C ATOM 361 CG PRO A 24 9.286 2.814 -1.992 1.00 0.00 C ATOM 362 CD PRO A 24 8.842 1.544 -1.313 1.00 0.00 C ATOM 0 HA PRO A 24 8.506 3.781 1.084 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.065 4.862 -1.389 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.287 3.980 -0.495 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.606 3.073 -2.804 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.275 2.689 -2.432 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.164 0.971 -1.945 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.689 0.897 -1.085 1.00 0.00 H new ATOM 370 N GLN A 25 6.828 5.413 -0.199 1.00 0.00 N ATOM 371 CA GLN A 25 5.546 6.106 -0.494 1.00 0.00 C ATOM 372 C GLN A 25 5.718 7.068 -1.673 1.00 0.00 C ATOM 373 O GLN A 25 4.874 7.154 -2.544 1.00 0.00 O ATOM 374 CB GLN A 25 5.215 6.876 0.783 1.00 0.00 C ATOM 375 CG GLN A 25 3.880 7.605 0.609 1.00 0.00 C ATOM 376 CD GLN A 25 4.028 9.056 1.071 1.00 0.00 C ATOM 377 OE1 GLN A 25 4.204 9.316 2.245 1.00 0.00 O ATOM 378 NE2 GLN A 25 3.964 10.018 0.191 1.00 0.00 N ATOM 0 H GLN A 25 7.608 6.028 0.033 1.00 0.00 H new ATOM 0 HA GLN A 25 4.754 5.410 -0.770 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.160 6.191 1.629 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.006 7.592 1.004 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.570 7.574 -0.436 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.102 7.105 1.187 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.816 9.799 -0.794 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.062 10.989 0.489 1.00 0.00 H new ATOM 387 N VAL A 26 6.806 7.788 -1.710 1.00 0.00 N ATOM 388 CA VAL A 26 7.031 8.736 -2.831 1.00 0.00 C ATOM 389 C VAL A 26 7.116 7.969 -4.153 1.00 0.00 C ATOM 390 O VAL A 26 7.063 8.544 -5.223 1.00 0.00 O ATOM 391 CB VAL A 26 8.358 9.410 -2.496 1.00 0.00 C ATOM 392 CG1 VAL A 26 9.087 9.787 -3.782 1.00 0.00 C ATOM 393 CG2 VAL A 26 8.090 10.675 -1.677 1.00 0.00 C ATOM 0 H VAL A 26 7.548 7.759 -1.010 1.00 0.00 H new ATOM 0 HA VAL A 26 6.226 9.462 -2.946 1.00 0.00 H new ATOM 0 HB VAL A 26 8.976 8.721 -1.921 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.034 10.268 -3.536 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.278 8.888 -4.369 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.471 10.474 -4.361 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.036 11.159 -1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.470 11.359 -2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.573 10.409 -0.755 1.00 0.00 H new ATOM 403 N LEU A 27 7.241 6.672 -4.085 1.00 0.00 N ATOM 404 CA LEU A 27 7.326 5.863 -5.333 1.00 0.00 C ATOM 405 C LEU A 27 5.922 5.472 -5.802 1.00 0.00 C ATOM 406 O LEU A 27 5.661 5.355 -6.983 1.00 0.00 O ATOM 407 CB LEU A 27 8.126 4.621 -4.941 1.00 0.00 C ATOM 408 CG LEU A 27 8.919 4.119 -6.147 1.00 0.00 C ATOM 409 CD1 LEU A 27 10.380 4.554 -6.013 1.00 0.00 C ATOM 410 CD2 LEU A 27 8.846 2.592 -6.202 1.00 0.00 C ATOM 0 H LEU A 27 7.288 6.137 -3.218 1.00 0.00 H new ATOM 0 HA LEU A 27 7.795 6.409 -6.152 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.804 4.857 -4.120 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.454 3.841 -4.585 1.00 0.00 H new ATOM 0 HG LEU A 27 8.497 4.538 -7.061 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.946 4.196 -6.873 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.433 5.642 -5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.802 4.134 -5.100 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.411 2.231 -7.062 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.269 2.174 -5.288 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.806 2.281 -6.295 1.00 0.00 H new ATOM 422 N LEU A 28 5.020 5.266 -4.884 1.00 0.00 N ATOM 423 CA LEU A 28 3.634 4.880 -5.268 1.00 0.00 C ATOM 424 C LEU A 28 2.763 6.127 -5.436 1.00 0.00 C ATOM 425 O LEU A 28 3.137 7.213 -5.040 1.00 0.00 O ATOM 426 CB LEU A 28 3.130 4.029 -4.105 1.00 0.00 C ATOM 427 CG LEU A 28 4.176 2.972 -3.748 1.00 0.00 C ATOM 428 CD1 LEU A 28 3.870 2.398 -2.364 1.00 0.00 C ATOM 429 CD2 LEU A 28 4.137 1.848 -4.785 1.00 0.00 C ATOM 0 H LEU A 28 5.184 5.349 -3.881 1.00 0.00 H new ATOM 0 HA LEU A 28 3.601 4.342 -6.215 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.928 4.661 -3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.190 3.548 -4.375 1.00 0.00 H new ATOM 0 HG LEU A 28 5.166 3.428 -3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.616 1.645 -2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.896 3.198 -1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.880 1.941 -2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.882 1.094 -4.532 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.147 1.392 -4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.354 2.256 -5.772 1.00 0.00 H new ATOM 441 N SER A 29 1.603 5.985 -6.021 1.00 0.00 N ATOM 442 CA SER A 29 0.721 7.171 -6.207 1.00 0.00 C ATOM 443 C SER A 29 -0.298 7.274 -5.072 1.00 0.00 C ATOM 444 O SER A 29 -0.252 8.178 -4.262 1.00 0.00 O ATOM 445 CB SER A 29 0.017 6.939 -7.543 1.00 0.00 C ATOM 446 OG SER A 29 -0.615 8.143 -7.956 1.00 0.00 O ATOM 0 H SER A 29 1.231 5.104 -6.376 1.00 0.00 H new ATOM 0 HA SER A 29 1.287 8.102 -6.199 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.737 6.616 -8.295 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.721 6.143 -7.445 1.00 0.00 H new ATOM 0 HG SER A 29 -1.066 7.998 -8.814 1.00 0.00 H new ATOM 452 N SER A 30 -1.221 6.359 -5.009 1.00 0.00 N ATOM 453 CA SER A 30 -2.249 6.410 -3.929 1.00 0.00 C ATOM 454 C SER A 30 -2.602 4.997 -3.461 1.00 0.00 C ATOM 455 O SER A 30 -1.857 4.062 -3.667 1.00 0.00 O ATOM 456 CB SER A 30 -3.462 7.081 -4.573 1.00 0.00 C ATOM 457 OG SER A 30 -3.723 6.473 -5.830 1.00 0.00 O ATOM 0 H SER A 30 -1.311 5.577 -5.657 1.00 0.00 H new ATOM 0 HA SER A 30 -1.898 6.953 -3.051 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.332 6.987 -3.923 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.276 8.147 -4.703 1.00 0.00 H new ATOM 0 HG SER A 30 -4.678 6.267 -5.902 1.00 0.00 H new ATOM 463 N TRP A 31 -3.734 4.838 -2.832 1.00 0.00 N ATOM 464 CA TRP A 31 -4.143 3.487 -2.349 1.00 0.00 C ATOM 465 C TRP A 31 -5.659 3.424 -2.203 1.00 0.00 C ATOM 466 O TRP A 31 -6.363 4.377 -2.465 1.00 0.00 O ATOM 467 CB TRP A 31 -3.501 3.336 -0.972 1.00 0.00 C ATOM 468 CG TRP A 31 -4.078 4.360 -0.053 1.00 0.00 C ATOM 469 CD1 TRP A 31 -3.811 5.678 -0.119 1.00 0.00 C ATOM 470 CD2 TRP A 31 -5.010 4.182 1.053 1.00 0.00 C ATOM 471 NE1 TRP A 31 -4.509 6.329 0.881 1.00 0.00 N ATOM 472 CE2 TRP A 31 -5.266 5.449 1.630 1.00 0.00 C ATOM 473 CE3 TRP A 31 -5.650 3.060 1.608 1.00 0.00 C ATOM 474 CZ2 TRP A 31 -6.128 5.596 2.718 1.00 0.00 C ATOM 475 CZ3 TRP A 31 -6.518 3.205 2.703 1.00 0.00 C ATOM 476 CH2 TRP A 31 -6.756 4.471 3.256 1.00 0.00 C ATOM 0 H TRP A 31 -4.396 5.587 -2.631 1.00 0.00 H new ATOM 0 HA TRP A 31 -3.835 2.702 -3.040 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -3.681 2.335 -0.580 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -2.421 3.461 -1.044 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -3.157 6.150 -0.837 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -4.470 7.335 1.046 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.473 2.080 1.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.308 6.573 3.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -7.005 2.336 3.121 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -7.425 4.576 4.098 1.00 0.00 H new ATOM 487 N TYR A 32 -6.160 2.314 -1.753 1.00 0.00 N ATOM 488 CA TYR A 32 -7.629 2.189 -1.548 1.00 0.00 C ATOM 489 C TYR A 32 -7.931 0.929 -0.735 1.00 0.00 C ATOM 490 O TYR A 32 -7.332 -0.110 -0.940 1.00 0.00 O ATOM 491 CB TYR A 32 -8.253 2.159 -2.949 1.00 0.00 C ATOM 492 CG TYR A 32 -8.067 0.815 -3.602 1.00 0.00 C ATOM 493 CD1 TYR A 32 -8.696 -0.313 -3.072 1.00 0.00 C ATOM 494 CD2 TYR A 32 -7.281 0.702 -4.753 1.00 0.00 C ATOM 495 CE1 TYR A 32 -8.538 -1.558 -3.688 1.00 0.00 C ATOM 496 CE2 TYR A 32 -7.123 -0.541 -5.374 1.00 0.00 C ATOM 497 CZ TYR A 32 -7.751 -1.673 -4.840 1.00 0.00 C ATOM 498 OH TYR A 32 -7.598 -2.901 -5.452 1.00 0.00 O ATOM 0 H TYR A 32 -5.617 1.484 -1.517 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.048 3.020 -0.980 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.316 2.389 -2.881 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.799 2.933 -3.568 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.305 -0.224 -2.185 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.796 1.575 -5.163 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -9.023 -2.430 -3.275 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.518 -0.628 -6.264 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.022 -2.805 -6.239 1.00 0.00 H new ATOM 508 N PRO A 33 -8.833 1.086 0.194 1.00 0.00 N ATOM 509 CA PRO A 33 -9.217 -0.027 1.101 1.00 0.00 C ATOM 510 C PRO A 33 -9.937 -1.139 0.337 1.00 0.00 C ATOM 511 O PRO A 33 -10.464 -0.932 -0.737 1.00 0.00 O ATOM 512 CB PRO A 33 -10.145 0.642 2.110 1.00 0.00 C ATOM 513 CG PRO A 33 -10.680 1.831 1.394 1.00 0.00 C ATOM 514 CD PRO A 33 -9.584 2.309 0.484 1.00 0.00 C ATOM 0 HA PRO A 33 -8.359 -0.508 1.570 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.946 -0.030 2.418 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.607 0.931 3.013 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.572 1.572 0.824 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.967 2.611 2.099 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.983 2.761 -0.424 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.959 3.060 0.966 1.00 0.00 H new ATOM 522 N THR A 34 -9.958 -2.324 0.883 1.00 0.00 N ATOM 523 CA THR A 34 -10.636 -3.454 0.183 1.00 0.00 C ATOM 524 C THR A 34 -11.926 -3.836 0.912 1.00 0.00 C ATOM 525 O THR A 34 -12.250 -3.297 1.951 1.00 0.00 O ATOM 526 CB THR A 34 -9.639 -4.617 0.229 1.00 0.00 C ATOM 527 OG1 THR A 34 -9.900 -5.417 1.374 1.00 0.00 O ATOM 528 CG2 THR A 34 -8.208 -4.079 0.296 1.00 0.00 C ATOM 0 H THR A 34 -9.536 -2.559 1.781 1.00 0.00 H new ATOM 0 HA THR A 34 -10.910 -3.191 -0.839 1.00 0.00 H new ATOM 0 HB THR A 34 -9.750 -5.219 -0.673 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.173 -5.308 2.022 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.507 -4.913 0.328 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.007 -3.470 -0.585 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.090 -3.471 1.193 1.00 0.00 H new ATOM 640 N GLY A 42 -7.898 -5.466 3.686 1.00 0.00 N ATOM 641 CA GLY A 42 -6.861 -4.578 4.284 1.00 0.00 C ATOM 642 C GLY A 42 -6.690 -3.327 3.422 1.00 0.00 C ATOM 643 O GLY A 42 -7.648 -2.753 2.945 1.00 0.00 O ATOM 0 HA2 GLY A 42 -7.150 -4.296 5.296 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.913 -5.111 4.360 1.00 0.00 H new ATOM 647 N VAL A 43 -5.474 -2.898 3.221 1.00 0.00 N ATOM 648 CA VAL A 43 -5.240 -1.685 2.388 1.00 0.00 C ATOM 649 C VAL A 43 -4.263 -2.002 1.260 1.00 0.00 C ATOM 650 O VAL A 43 -3.176 -2.493 1.487 1.00 0.00 O ATOM 651 CB VAL A 43 -4.637 -0.648 3.342 1.00 0.00 C ATOM 652 CG1 VAL A 43 -3.675 0.263 2.576 1.00 0.00 C ATOM 653 CG2 VAL A 43 -5.753 0.213 3.929 1.00 0.00 C ATOM 0 H VAL A 43 -4.633 -3.335 3.598 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.158 -1.323 1.925 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.103 -1.168 4.137 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.249 0.998 3.259 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.874 -0.336 2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.216 0.776 1.781 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.325 0.951 4.608 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.280 0.724 3.123 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.452 -0.420 4.476 1.00 0.00 H new ATOM 663 N ILE A 44 -4.633 -1.712 0.048 1.00 0.00 N ATOM 664 CA ILE A 44 -3.714 -1.983 -1.085 1.00 0.00 C ATOM 665 C ILE A 44 -3.201 -0.660 -1.648 1.00 0.00 C ATOM 666 O ILE A 44 -3.901 0.333 -1.656 1.00 0.00 O ATOM 667 CB ILE A 44 -4.559 -2.729 -2.114 1.00 0.00 C ATOM 668 CG1 ILE A 44 -5.526 -1.752 -2.778 1.00 0.00 C ATOM 669 CG2 ILE A 44 -5.355 -3.830 -1.416 1.00 0.00 C ATOM 670 CD1 ILE A 44 -4.835 -1.086 -3.966 1.00 0.00 C ATOM 0 H ILE A 44 -5.531 -1.300 -0.207 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.841 -2.567 -0.794 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.908 -3.171 -2.868 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.421 -2.278 -3.111 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.848 -0.997 -2.060 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.959 -4.363 -2.150 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.668 -4.527 -0.936 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.007 -3.386 -0.663 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.523 -0.388 -4.442 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.953 -0.547 -3.619 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.535 -1.847 -4.686 1.00 0.00 H new ATOM 682 N PHE A 45 -1.980 -0.625 -2.099 1.00 0.00 N ATOM 683 CA PHE A 45 -1.429 0.645 -2.632 1.00 0.00 C ATOM 684 C PHE A 45 -1.252 0.571 -4.149 1.00 0.00 C ATOM 685 O PHE A 45 -0.843 -0.437 -4.690 1.00 0.00 O ATOM 686 CB PHE A 45 -0.062 0.775 -1.966 1.00 0.00 C ATOM 687 CG PHE A 45 -0.229 1.003 -0.485 1.00 0.00 C ATOM 688 CD1 PHE A 45 -0.570 2.273 -0.004 1.00 0.00 C ATOM 689 CD2 PHE A 45 -0.034 -0.055 0.411 1.00 0.00 C ATOM 690 CE1 PHE A 45 -0.718 2.484 1.371 1.00 0.00 C ATOM 691 CE2 PHE A 45 -0.182 0.155 1.786 1.00 0.00 C ATOM 692 CZ PHE A 45 -0.523 1.423 2.266 1.00 0.00 C ATOM 0 H PHE A 45 -1.342 -1.421 -2.121 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.088 1.489 -2.430 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.523 -0.128 -2.139 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.490 1.603 -2.410 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.719 3.090 -0.695 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.231 -1.034 0.040 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.982 3.463 1.742 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.033 -0.662 2.476 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.636 1.585 3.328 1.00 0.00 H new ATOM 702 N LEU A 46 -1.534 1.642 -4.836 1.00 0.00 N ATOM 703 CA LEU A 46 -1.358 1.648 -6.313 1.00 0.00 C ATOM 704 C LEU A 46 -0.180 2.556 -6.674 1.00 0.00 C ATOM 705 O LEU A 46 -0.118 3.701 -6.269 1.00 0.00 O ATOM 706 CB LEU A 46 -2.658 2.214 -6.878 1.00 0.00 C ATOM 707 CG LEU A 46 -3.223 1.256 -7.930 1.00 0.00 C ATOM 708 CD1 LEU A 46 -3.244 -0.168 -7.373 1.00 0.00 C ATOM 709 CD2 LEU A 46 -4.648 1.682 -8.290 1.00 0.00 C ATOM 0 H LEU A 46 -1.879 2.515 -4.437 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.151 0.655 -6.713 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.382 2.357 -6.076 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.477 3.192 -7.323 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.595 1.286 -8.820 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.647 -0.847 -8.125 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.230 -0.473 -7.115 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.870 -0.201 -6.482 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.053 1.002 -9.039 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.273 1.653 -7.397 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.635 2.696 -8.690 1.00 0.00 H new ATOM 721 N THR A 47 0.754 2.054 -7.426 1.00 0.00 N ATOM 722 CA THR A 47 1.932 2.883 -7.808 1.00 0.00 C ATOM 723 C THR A 47 1.488 4.085 -8.640 1.00 0.00 C ATOM 724 O THR A 47 0.394 4.590 -8.487 1.00 0.00 O ATOM 725 CB THR A 47 2.815 1.956 -8.648 1.00 0.00 C ATOM 726 OG1 THR A 47 2.229 1.783 -9.935 1.00 0.00 O ATOM 727 CG2 THR A 47 2.936 0.598 -7.954 1.00 0.00 C ATOM 0 H THR A 47 0.755 1.103 -7.795 1.00 0.00 H new ATOM 0 HA THR A 47 2.457 3.273 -6.936 1.00 0.00 H new ATOM 0 HB THR A 47 3.806 2.396 -8.756 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.865 1.327 -10.525 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.565 -0.062 -8.552 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.384 0.731 -6.969 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.946 0.155 -7.845 1.00 0.00 H new ATOM 735 N LYS A 48 2.331 4.530 -9.525 1.00 0.00 N ATOM 736 CA LYS A 48 1.974 5.682 -10.398 1.00 0.00 C ATOM 737 C LYS A 48 1.932 5.199 -11.847 1.00 0.00 C ATOM 738 O LYS A 48 1.790 5.971 -12.775 1.00 0.00 O ATOM 739 CB LYS A 48 3.093 6.704 -10.199 1.00 0.00 C ATOM 740 CG LYS A 48 2.728 7.647 -9.052 1.00 0.00 C ATOM 741 CD LYS A 48 3.705 8.826 -9.030 1.00 0.00 C ATOM 742 CE LYS A 48 2.962 10.113 -9.397 1.00 0.00 C ATOM 743 NZ LYS A 48 3.446 10.460 -10.763 1.00 0.00 N ATOM 0 H LYS A 48 3.261 4.142 -9.684 1.00 0.00 H new ATOM 0 HA LYS A 48 1.003 6.115 -10.160 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.031 6.194 -9.979 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.247 7.273 -11.116 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.707 8.009 -9.175 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.764 7.113 -8.102 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.153 8.922 -8.041 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.519 8.650 -9.733 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.883 9.962 -9.387 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.179 10.911 -8.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.981 11.333 -11.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.476 10.604 -10.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.219 9.685 -11.419 1.00 0.00 H new ATOM 757 N ARG A 49 2.060 3.914 -12.035 1.00 0.00 N ATOM 758 CA ARG A 49 2.038 3.338 -13.406 1.00 0.00 C ATOM 759 C ARG A 49 0.824 2.422 -13.571 1.00 0.00 C ATOM 760 O ARG A 49 -0.179 2.799 -14.143 1.00 0.00 O ATOM 761 CB ARG A 49 3.334 2.534 -13.503 1.00 0.00 C ATOM 762 CG ARG A 49 4.450 3.426 -14.054 1.00 0.00 C ATOM 763 CD ARG A 49 5.216 2.674 -15.144 1.00 0.00 C ATOM 764 NE ARG A 49 6.602 3.216 -15.084 1.00 0.00 N ATOM 765 CZ ARG A 49 7.180 3.655 -16.168 1.00 0.00 C ATOM 766 NH1 ARG A 49 7.082 2.978 -17.280 1.00 0.00 N ATOM 767 NH2 ARG A 49 7.855 4.772 -16.141 1.00 0.00 N ATOM 0 H ARG A 49 2.180 3.232 -11.286 1.00 0.00 H new ATOM 0 HA ARG A 49 1.966 4.100 -14.182 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.611 2.152 -12.521 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.191 1.670 -14.152 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.028 4.345 -14.460 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.129 3.714 -13.251 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.204 1.599 -14.965 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.770 2.838 -16.125 1.00 0.00 H new ATOM 0 HE ARG A 49 7.100 3.244 -14.194 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.553 2.106 -17.301 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.534 3.321 -18.128 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.930 5.301 -15.272 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.307 5.115 -16.988 1.00 0.00 H new ATOM 781 N GLY A 50 0.910 1.219 -13.074 1.00 0.00 N ATOM 782 CA GLY A 50 -0.237 0.276 -13.200 1.00 0.00 C ATOM 783 C GLY A 50 -0.019 -0.925 -12.277 1.00 0.00 C ATOM 784 O GLY A 50 -0.543 -1.997 -12.505 1.00 0.00 O ATOM 0 H GLY A 50 1.725 0.848 -12.586 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.167 0.782 -12.941 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.333 -0.059 -14.233 1.00 0.00 H new ATOM 788 N ARG A 51 0.748 -0.758 -11.233 1.00 0.00 N ATOM 789 CA ARG A 51 0.992 -1.896 -10.300 1.00 0.00 C ATOM 790 C ARG A 51 0.239 -1.674 -8.988 1.00 0.00 C ATOM 791 O ARG A 51 0.052 -0.557 -8.546 1.00 0.00 O ATOM 792 CB ARG A 51 2.502 -1.904 -10.064 1.00 0.00 C ATOM 793 CG ARG A 51 2.812 -2.568 -8.720 1.00 0.00 C ATOM 794 CD ARG A 51 4.324 -2.774 -8.588 1.00 0.00 C ATOM 795 NE ARG A 51 4.487 -3.658 -7.402 1.00 0.00 N ATOM 796 CZ ARG A 51 5.562 -3.572 -6.667 1.00 0.00 C ATOM 797 NH1 ARG A 51 6.009 -2.402 -6.299 1.00 0.00 N ATOM 798 NH2 ARG A 51 6.190 -4.655 -6.297 1.00 0.00 N ATOM 0 H ARG A 51 1.215 0.115 -10.986 1.00 0.00 H new ATOM 0 HA ARG A 51 0.643 -2.845 -10.707 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.003 -2.441 -10.870 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.886 -0.884 -10.074 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.446 -1.947 -7.903 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.296 -3.526 -8.648 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.740 -3.234 -9.484 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.841 -1.825 -8.448 1.00 0.00 H new ATOM 0 HE ARG A 51 3.759 -4.331 -7.164 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.518 -1.555 -6.586 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.849 -2.335 -5.725 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.841 -5.570 -6.582 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.030 -4.586 -5.723 1.00 0.00 H new ATOM 812 N GLN A 52 -0.203 -2.730 -8.368 1.00 0.00 N ATOM 813 CA GLN A 52 -0.952 -2.594 -7.094 1.00 0.00 C ATOM 814 C GLN A 52 -0.212 -3.301 -5.955 1.00 0.00 C ATOM 815 O GLN A 52 0.590 -4.188 -6.176 1.00 0.00 O ATOM 816 CB GLN A 52 -2.288 -3.279 -7.363 1.00 0.00 C ATOM 817 CG GLN A 52 -2.709 -3.046 -8.818 1.00 0.00 C ATOM 818 CD GLN A 52 -2.280 -4.242 -9.671 1.00 0.00 C ATOM 819 OE1 GLN A 52 -2.632 -5.368 -9.380 1.00 0.00 O ATOM 820 NE2 GLN A 52 -1.530 -4.044 -10.721 1.00 0.00 N ATOM 0 H GLN A 52 -0.076 -3.688 -8.693 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.068 -1.553 -6.792 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.205 -4.348 -7.166 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.049 -2.889 -6.688 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.789 -2.912 -8.878 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.252 -2.132 -9.198 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.234 -3.099 -10.966 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.240 -4.834 -11.297 1.00 0.00 H new ATOM 829 N VAL A 53 -0.481 -2.916 -4.738 1.00 0.00 N ATOM 830 CA VAL A 53 0.192 -3.557 -3.577 1.00 0.00 C ATOM 831 C VAL A 53 -0.826 -3.802 -2.457 1.00 0.00 C ATOM 832 O VAL A 53 -1.835 -3.133 -2.374 1.00 0.00 O ATOM 833 CB VAL A 53 1.252 -2.543 -3.142 1.00 0.00 C ATOM 834 CG1 VAL A 53 1.475 -2.651 -1.637 1.00 0.00 C ATOM 835 CG2 VAL A 53 2.564 -2.836 -3.872 1.00 0.00 C ATOM 0 H VAL A 53 -1.144 -2.179 -4.498 1.00 0.00 H new ATOM 0 HA VAL A 53 0.631 -4.525 -3.820 1.00 0.00 H new ATOM 0 HB VAL A 53 0.913 -1.536 -3.387 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.230 -1.928 -1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.541 -2.445 -1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.814 -3.657 -1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.321 -2.115 -3.564 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.901 -3.843 -3.625 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.407 -2.759 -4.948 1.00 0.00 H new ATOM 845 N CYS A 54 -0.578 -4.759 -1.601 1.00 0.00 N ATOM 846 CA CYS A 54 -1.537 -5.039 -0.498 1.00 0.00 C ATOM 847 C CYS A 54 -0.797 -5.143 0.838 1.00 0.00 C ATOM 848 O CYS A 54 0.046 -5.998 1.018 1.00 0.00 O ATOM 849 CB CYS A 54 -2.146 -6.388 -0.863 1.00 0.00 C ATOM 850 SG CYS A 54 -3.939 -6.323 -0.647 1.00 0.00 S ATOM 0 H CYS A 54 0.248 -5.357 -1.620 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.285 -4.254 -0.387 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.903 -6.641 -1.895 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.722 -7.171 -0.235 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.227 -5.549 0.357 1.00 0.00 H new ATOM 855 N ALA A 55 -1.101 -4.289 1.779 1.00 0.00 N ATOM 856 CA ALA A 55 -0.403 -4.366 3.093 1.00 0.00 C ATOM 857 C ALA A 55 -1.378 -4.062 4.232 1.00 0.00 C ATOM 858 O ALA A 55 -2.431 -3.489 4.027 1.00 0.00 O ATOM 859 CB ALA A 55 0.690 -3.301 3.022 1.00 0.00 C ATOM 0 H ALA A 55 -1.797 -3.548 1.695 1.00 0.00 H new ATOM 0 HA ALA A 55 0.006 -5.358 3.286 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.252 -3.294 3.956 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.363 -3.525 2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.235 -2.323 2.865 1.00 0.00 H new ATOM 865 N ASP A 56 -1.035 -4.441 5.433 1.00 0.00 N ATOM 866 CA ASP A 56 -1.941 -4.174 6.585 1.00 0.00 C ATOM 867 C ASP A 56 -1.790 -2.723 7.044 1.00 0.00 C ATOM 868 O ASP A 56 -0.703 -2.262 7.330 1.00 0.00 O ATOM 869 CB ASP A 56 -1.482 -5.134 7.683 1.00 0.00 C ATOM 870 CG ASP A 56 -2.590 -5.282 8.727 1.00 0.00 C ATOM 871 OD1 ASP A 56 -3.469 -4.436 8.754 1.00 0.00 O ATOM 872 OD2 ASP A 56 -2.543 -6.240 9.482 1.00 0.00 O ATOM 0 H ASP A 56 -0.167 -4.924 5.666 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.990 -4.322 6.330 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.240 -6.106 7.253 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.573 -4.758 8.153 1.00 0.00 H new ATOM 877 N LYS A 57 -2.873 -1.999 7.116 1.00 0.00 N ATOM 878 CA LYS A 57 -2.788 -0.576 7.554 1.00 0.00 C ATOM 879 C LYS A 57 -2.157 -0.482 8.948 1.00 0.00 C ATOM 880 O LYS A 57 -1.803 0.586 9.407 1.00 0.00 O ATOM 881 CB LYS A 57 -4.233 -0.073 7.583 1.00 0.00 C ATOM 882 CG LYS A 57 -5.149 -1.159 8.155 1.00 0.00 C ATOM 883 CD LYS A 57 -5.984 -1.764 7.025 1.00 0.00 C ATOM 884 CE LYS A 57 -7.437 -1.303 7.158 1.00 0.00 C ATOM 885 NZ LYS A 57 -7.874 -1.793 8.496 1.00 0.00 N ATOM 0 H LYS A 57 -3.811 -2.330 6.891 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.166 0.019 6.885 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.301 0.830 8.190 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.555 0.194 6.577 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.555 -1.934 8.639 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.802 -0.735 8.918 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.582 -1.459 6.059 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.932 -2.852 7.063 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.515 -0.218 7.090 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.057 -1.718 6.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.861 -2.115 8.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.267 -2.584 8.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.799 -1.022 9.190 1.00 0.00 H new ATOM 899 N SER A 58 -2.016 -1.588 9.627 1.00 0.00 N ATOM 900 CA SER A 58 -1.408 -1.554 10.989 1.00 0.00 C ATOM 901 C SER A 58 0.121 -1.552 10.893 1.00 0.00 C ATOM 902 O SER A 58 0.813 -1.793 11.863 1.00 0.00 O ATOM 903 CB SER A 58 -1.900 -2.827 11.675 1.00 0.00 C ATOM 904 OG SER A 58 -1.780 -3.921 10.775 1.00 0.00 O ATOM 0 H SER A 58 -2.295 -2.513 9.299 1.00 0.00 H new ATOM 0 HA SER A 58 -1.690 -0.657 11.541 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.317 -3.017 12.576 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.938 -2.709 11.986 1.00 0.00 H new ATOM 0 HG SER A 58 -1.940 -4.760 11.256 1.00 0.00 H new ATOM 910 N LYS A 59 0.654 -1.280 9.734 1.00 0.00 N ATOM 911 CA LYS A 59 2.137 -1.261 9.582 1.00 0.00 C ATOM 912 C LYS A 59 2.652 0.178 9.608 1.00 0.00 C ATOM 913 O LYS A 59 2.287 0.996 8.791 1.00 0.00 O ATOM 914 CB LYS A 59 2.402 -1.905 8.222 1.00 0.00 C ATOM 915 CG LYS A 59 2.558 -3.418 8.396 1.00 0.00 C ATOM 916 CD LYS A 59 4.044 -3.782 8.396 1.00 0.00 C ATOM 917 CE LYS A 59 4.422 -4.386 9.750 1.00 0.00 C ATOM 918 NZ LYS A 59 5.905 -4.512 9.714 1.00 0.00 N ATOM 0 H LYS A 59 0.128 -1.070 8.886 1.00 0.00 H new ATOM 0 HA LYS A 59 2.644 -1.791 10.388 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.580 -1.689 7.539 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.304 -1.484 7.778 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.095 -3.737 9.330 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.044 -3.942 7.590 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.255 -4.493 7.597 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.647 -2.895 8.201 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.100 -3.746 10.572 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.947 -5.356 9.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.241 -4.920 10.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.182 -5.132 8.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.330 -3.572 9.581 1.00 0.00 H new ATOM 932 N ASP A 60 3.496 0.486 10.550 1.00 0.00 N ATOM 933 CA ASP A 60 4.043 1.869 10.651 1.00 0.00 C ATOM 934 C ASP A 60 4.327 2.452 9.262 1.00 0.00 C ATOM 935 O ASP A 60 3.772 3.465 8.882 1.00 0.00 O ATOM 936 CB ASP A 60 5.342 1.712 11.439 1.00 0.00 C ATOM 937 CG ASP A 60 5.054 1.861 12.935 1.00 0.00 C ATOM 938 OD1 ASP A 60 4.456 0.958 13.496 1.00 0.00 O ATOM 939 OD2 ASP A 60 5.436 2.877 13.493 1.00 0.00 O ATOM 0 H ASP A 60 3.834 -0.164 11.260 1.00 0.00 H new ATOM 0 HA ASP A 60 3.341 2.551 11.131 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.785 0.737 11.239 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.066 2.462 11.121 1.00 0.00 H new ATOM 944 N TRP A 61 5.192 1.833 8.506 1.00 0.00 N ATOM 945 CA TRP A 61 5.510 2.370 7.150 1.00 0.00 C ATOM 946 C TRP A 61 4.232 2.537 6.327 1.00 0.00 C ATOM 947 O TRP A 61 4.061 3.509 5.614 1.00 0.00 O ATOM 948 CB TRP A 61 6.443 1.335 6.518 1.00 0.00 C ATOM 949 CG TRP A 61 5.672 0.142 6.051 1.00 0.00 C ATOM 950 CD1 TRP A 61 5.352 -0.917 6.820 1.00 0.00 C ATOM 951 CD2 TRP A 61 5.138 -0.138 4.725 1.00 0.00 C ATOM 952 NE1 TRP A 61 4.664 -1.840 6.051 1.00 0.00 N ATOM 953 CE2 TRP A 61 4.505 -1.403 4.751 1.00 0.00 C ATOM 954 CE3 TRP A 61 5.141 0.573 3.514 1.00 0.00 C ATOM 955 CZ2 TRP A 61 3.901 -1.945 3.613 1.00 0.00 C ATOM 956 CZ3 TRP A 61 4.530 0.032 2.370 1.00 0.00 C ATOM 957 CH2 TRP A 61 3.913 -1.226 2.420 1.00 0.00 C ATOM 0 H TRP A 61 5.691 0.982 8.766 1.00 0.00 H new ATOM 0 HA TRP A 61 5.976 3.354 7.195 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.974 1.782 5.678 1.00 0.00 H new ATOM 0 HB3 TRP A 61 7.196 1.026 7.243 1.00 0.00 H new ATOM 0 HD1 TRP A 61 5.593 -1.028 7.867 1.00 0.00 H new ATOM 0 HE1 TRP A 61 4.317 -2.733 6.402 1.00 0.00 H new ATOM 0 HE3 TRP A 61 5.616 1.542 3.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.428 -2.915 3.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 4.536 0.590 1.445 1.00 0.00 H new ATOM 0 HH2 TRP A 61 3.448 -1.637 1.536 1.00 0.00 H new ATOM 968 N VAL A 62 3.327 1.608 6.427 1.00 0.00 N ATOM 969 CA VAL A 62 2.063 1.723 5.660 1.00 0.00 C ATOM 970 C VAL A 62 1.243 2.910 6.175 1.00 0.00 C ATOM 971 O VAL A 62 0.823 3.761 5.418 1.00 0.00 O ATOM 972 CB VAL A 62 1.347 0.401 5.913 1.00 0.00 C ATOM 973 CG1 VAL A 62 -0.157 0.622 5.879 1.00 0.00 C ATOM 974 CG2 VAL A 62 1.729 -0.595 4.821 1.00 0.00 C ATOM 0 H VAL A 62 3.409 0.774 7.008 1.00 0.00 H new ATOM 0 HA VAL A 62 2.222 1.900 4.596 1.00 0.00 H new ATOM 0 HB VAL A 62 1.638 0.012 6.889 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.668 -0.324 6.060 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.437 1.339 6.651 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.446 1.009 4.902 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.219 -1.542 4.998 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.434 -0.200 3.849 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.807 -0.755 4.835 1.00 0.00 H new ATOM 984 N LYS A 63 1.014 2.980 7.457 1.00 0.00 N ATOM 985 CA LYS A 63 0.233 4.113 8.005 1.00 0.00 C ATOM 986 C LYS A 63 0.681 5.413 7.339 1.00 0.00 C ATOM 987 O LYS A 63 -0.120 6.153 6.803 1.00 0.00 O ATOM 988 CB LYS A 63 0.565 4.114 9.495 1.00 0.00 C ATOM 989 CG LYS A 63 -0.630 4.648 10.277 1.00 0.00 C ATOM 990 CD LYS A 63 -0.164 5.726 11.257 1.00 0.00 C ATOM 991 CE LYS A 63 0.875 5.135 12.212 1.00 0.00 C ATOM 992 NZ LYS A 63 0.081 4.488 13.293 1.00 0.00 N ATOM 0 H LYS A 63 1.336 2.299 8.145 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.839 4.024 7.829 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.809 3.104 9.826 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.443 4.732 9.683 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.370 5.061 9.592 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.115 3.836 10.818 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.265 6.567 10.712 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.014 6.111 11.821 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.512 4.412 11.703 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.529 5.910 12.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.724 4.118 14.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.560 5.187 13.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.476 3.706 12.894 1.00 0.00 H new ATOM 1006 N LYS A 64 1.956 5.691 7.346 1.00 0.00 N ATOM 1007 CA LYS A 64 2.438 6.935 6.688 1.00 0.00 C ATOM 1008 C LYS A 64 1.951 6.944 5.239 1.00 0.00 C ATOM 1009 O LYS A 64 1.518 7.956 4.723 1.00 0.00 O ATOM 1010 CB LYS A 64 3.965 6.862 6.748 1.00 0.00 C ATOM 1011 CG LYS A 64 4.565 7.804 5.703 1.00 0.00 C ATOM 1012 CD LYS A 64 5.740 8.568 6.315 1.00 0.00 C ATOM 1013 CE LYS A 64 7.010 8.287 5.508 1.00 0.00 C ATOM 1014 NZ LYS A 64 8.127 8.450 6.479 1.00 0.00 N ATOM 0 H LYS A 64 2.679 5.114 7.776 1.00 0.00 H new ATOM 0 HA LYS A 64 2.071 7.841 7.169 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.314 7.137 7.743 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.298 5.840 6.565 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.900 7.235 4.836 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.807 8.504 5.351 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.529 9.637 6.320 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.882 8.267 7.353 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.996 7.281 5.087 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.109 8.980 4.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.033 8.273 5.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.119 9.419 6.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.010 7.772 7.259 1.00 0.00 H new ATOM 1028 N LEU A 65 2.005 5.815 4.584 1.00 0.00 N ATOM 1029 CA LEU A 65 1.530 5.750 3.174 1.00 0.00 C ATOM 1030 C LEU A 65 0.055 6.148 3.109 1.00 0.00 C ATOM 1031 O LEU A 65 -0.321 7.071 2.421 1.00 0.00 O ATOM 1032 CB LEU A 65 1.706 4.287 2.757 1.00 0.00 C ATOM 1033 CG LEU A 65 3.148 4.056 2.306 1.00 0.00 C ATOM 1034 CD1 LEU A 65 3.552 2.617 2.617 1.00 0.00 C ATOM 1035 CD2 LEU A 65 3.253 4.290 0.799 1.00 0.00 C ATOM 0 H LEU A 65 2.357 4.937 4.965 1.00 0.00 H new ATOM 0 HA LEU A 65 2.080 6.425 2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.465 3.628 3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.017 4.043 1.948 1.00 0.00 H new ATOM 0 HG LEU A 65 3.807 4.746 2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.580 2.450 2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.474 2.441 3.690 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.891 1.931 2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.281 4.126 0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.593 3.597 0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.960 5.314 0.569 1.00 0.00 H new ATOM 1064 N GLN A 67 -1.489 7.841 4.869 1.00 0.00 N ATOM 1065 CA GLN A 67 -1.647 9.260 5.299 1.00 0.00 C ATOM 1066 C GLN A 67 -1.255 10.209 4.163 1.00 0.00 C ATOM 1067 O GLN A 67 -1.957 11.154 3.862 1.00 0.00 O ATOM 1068 CB GLN A 67 -0.698 9.422 6.486 1.00 0.00 C ATOM 1069 CG GLN A 67 -1.477 9.252 7.791 1.00 0.00 C ATOM 1070 CD GLN A 67 -0.619 9.727 8.964 1.00 0.00 C ATOM 1071 OE1 GLN A 67 0.069 8.942 9.587 1.00 0.00 O ATOM 1072 NE2 GLN A 67 -0.629 10.990 9.294 1.00 0.00 N ATOM 0 HA GLN A 67 -2.677 9.497 5.565 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.102 8.683 6.429 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.227 10.405 6.457 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.404 9.824 7.750 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.753 8.206 7.929 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.206 11.649 8.772 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.060 11.318 10.074 1.00 0.00 H new ATOM 1081 N GLN A 68 -0.140 9.967 3.531 1.00 0.00 N ATOM 1082 CA GLN A 68 0.293 10.857 2.416 1.00 0.00 C ATOM 1083 C GLN A 68 -0.459 10.500 1.131 1.00 0.00 C ATOM 1084 O GLN A 68 -0.667 11.330 0.268 1.00 0.00 O ATOM 1085 CB GLN A 68 1.788 10.587 2.253 1.00 0.00 C ATOM 1086 CG GLN A 68 2.582 11.537 3.151 1.00 0.00 C ATOM 1087 CD GLN A 68 2.216 12.983 2.814 1.00 0.00 C ATOM 1088 OE1 GLN A 68 1.666 13.690 3.635 1.00 0.00 O ATOM 1089 NE2 GLN A 68 2.501 13.457 1.632 1.00 0.00 N ATOM 0 H GLN A 68 0.490 9.192 3.738 1.00 0.00 H new ATOM 0 HA GLN A 68 0.088 11.907 2.623 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.011 9.552 2.513 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.081 10.724 1.212 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.365 11.330 4.199 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.651 11.379 3.010 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.963 12.864 0.942 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.262 14.421 1.398 1.00 0.00 H new ATOM 1098 N LEU A 69 -0.866 9.268 0.999 1.00 0.00 N ATOM 1099 CA LEU A 69 -1.601 8.848 -0.225 1.00 0.00 C ATOM 1100 C LEU A 69 -3.108 9.039 -0.028 1.00 0.00 C ATOM 1101 O LEU A 69 -3.617 8.885 1.064 1.00 0.00 O ATOM 1102 CB LEU A 69 -1.279 7.362 -0.395 1.00 0.00 C ATOM 1103 CG LEU A 69 0.194 7.092 -0.084 1.00 0.00 C ATOM 1104 CD1 LEU A 69 0.356 5.640 0.365 1.00 0.00 C ATOM 1105 CD2 LEU A 69 1.034 7.317 -1.338 1.00 0.00 C ATOM 0 H LEU A 69 -0.720 8.532 1.690 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.311 9.434 -1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.911 6.769 0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.504 7.050 -1.415 1.00 0.00 H new ATOM 0 HG LEU A 69 0.525 7.767 0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.405 5.443 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.244 5.466 1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.023 4.974 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.083 7.124 -1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.701 6.640 -2.125 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.919 8.348 -1.673 1.00 0.00 H new ATOM 1117 N PRO A 70 -3.770 9.371 -1.102 1.00 0.00 N ATOM 1118 CA PRO A 70 -5.231 9.587 -1.064 1.00 0.00 C ATOM 1119 C PRO A 70 -5.976 8.261 -1.254 1.00 0.00 C ATOM 1120 O PRO A 70 -5.775 7.563 -2.228 1.00 0.00 O ATOM 1121 CB PRO A 70 -5.473 10.515 -2.248 1.00 0.00 C ATOM 1122 CG PRO A 70 -4.337 10.265 -3.200 1.00 0.00 C ATOM 1123 CD PRO A 70 -3.224 9.579 -2.441 1.00 0.00 C ATOM 0 HA PRO A 70 -5.582 9.998 -0.118 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.433 10.305 -2.720 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.495 11.557 -1.930 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.668 9.644 -4.032 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -3.984 11.205 -3.625 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -2.948 8.634 -2.909 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.325 10.195 -2.412 1.00 0.00 H new ATOM 1131 N VAL A 71 -6.838 7.908 -0.337 1.00 0.00 N ATOM 1132 CA VAL A 71 -7.592 6.629 -0.479 1.00 0.00 C ATOM 1133 C VAL A 71 -8.380 6.628 -1.792 1.00 0.00 C ATOM 1134 O VAL A 71 -9.555 6.936 -1.824 1.00 0.00 O ATOM 1135 CB VAL A 71 -8.547 6.591 0.712 1.00 0.00 C ATOM 1136 CG1 VAL A 71 -9.239 7.947 0.842 1.00 0.00 C ATOM 1137 CG2 VAL A 71 -9.598 5.502 0.488 1.00 0.00 C ATOM 0 H VAL A 71 -7.052 8.448 0.501 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.931 5.762 -0.497 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.990 6.374 1.623 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.923 7.927 1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.491 8.724 0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -9.798 8.159 -0.069 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.280 5.474 1.338 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.159 5.719 -0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.105 4.535 0.387 1.00 0.00 H new ATOM 1147 N THR A 72 -7.737 6.287 -2.873 1.00 0.00 N ATOM 1148 CA THR A 72 -8.436 6.264 -4.191 1.00 0.00 C ATOM 1149 C THR A 72 -9.769 5.518 -4.077 1.00 0.00 C ATOM 1150 O THR A 72 -10.163 5.086 -3.011 1.00 0.00 O ATOM 1151 CB THR A 72 -7.483 5.518 -5.126 1.00 0.00 C ATOM 1152 OG1 THR A 72 -6.157 5.983 -4.917 1.00 0.00 O ATOM 1153 CG2 THR A 72 -7.889 5.768 -6.579 1.00 0.00 C ATOM 0 H THR A 72 -6.753 6.022 -2.902 1.00 0.00 H new ATOM 0 HA THR A 72 -8.667 7.266 -4.553 1.00 0.00 H new ATOM 0 HB THR A 72 -7.532 4.449 -4.917 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.570 5.222 -4.725 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.209 5.236 -7.244 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.906 5.411 -6.739 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.842 6.836 -6.791 1.00 0.00 H new