USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 719 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 Single : A 14 LYS NZ :NH3+ -161:sc= -3.8! (180deg=-4.1!) USER MOD Single : A 16 MET CE :methyl 135:sc=-0.00736 (180deg=-0.34) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0.00808 USER MOD Single : A 25 GLN : amide:sc= -1.25 K(o=-1.2,f=-3.5) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -1.94 K(o=-1.9,f=-4.9!) USER MOD Single : A 36 HIS : no HD1:sc= -0.046 X(o=-0.046,f=-0.4) USER MOD Single : A 43 LYS NZ :NH3+ -168:sc=-0.00483 (180deg=-0.188) USER MOD Single : A 45 TYR OH : rot 150:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.147 X(o=-0.15,f=-0.5) USER MOD Single : A 53 SER OG : rot -140:sc=-0.00571 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -59:sc= 0.224 USER MOD Single : A 67 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.168) USER MOD Single : A 73 LYS NZ :NH3+ -158:sc= 0.0192 (180deg=-0.221) USER MOD Single : A 74 GLN : amide:sc= -0.0857 X(o=-0.086,f=-0.066) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 227 N LEU A 13 -7.264 -18.159 -0.981 1.00 0.00 N ATOM 228 CA LEU A 13 -6.734 -16.803 -0.969 1.00 0.00 C ATOM 229 C LEU A 13 -6.411 -16.340 -2.385 1.00 0.00 C ATOM 230 O LEU A 13 -6.064 -17.152 -3.240 1.00 0.00 O ATOM 231 CB LEU A 13 -5.566 -16.719 0.036 1.00 0.00 C ATOM 232 CG LEU A 13 -4.164 -16.361 -0.488 1.00 0.00 C ATOM 233 CD1 LEU A 13 -3.946 -14.847 -0.430 1.00 0.00 C ATOM 234 CD2 LEU A 13 -3.098 -17.020 0.395 1.00 0.00 C ATOM 0 HA LEU A 13 -7.482 -16.094 -0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.834 -15.982 0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.494 -17.683 0.540 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.085 -16.713 -1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.950 -14.608 -0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.694 -14.348 -1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.038 -14.505 0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.107 -16.764 0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.202 -16.663 1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.226 -18.102 0.373 1.00 0.00 H new ATOM 246 N LYS A 14 -6.603 -15.038 -2.617 1.00 0.00 N ATOM 247 CA LYS A 14 -6.592 -14.398 -3.929 1.00 0.00 C ATOM 248 C LYS A 14 -5.809 -13.081 -3.912 1.00 0.00 C ATOM 249 O LYS A 14 -5.178 -12.749 -2.911 1.00 0.00 O ATOM 250 CB LYS A 14 -8.036 -14.273 -4.432 1.00 0.00 C ATOM 251 CG LYS A 14 -9.001 -13.521 -3.511 1.00 0.00 C ATOM 252 CD LYS A 14 -8.848 -12.002 -3.583 1.00 0.00 C ATOM 253 CE LYS A 14 -8.236 -11.416 -2.308 1.00 0.00 C ATOM 254 NZ LYS A 14 -8.075 -9.989 -2.459 1.00 0.00 N ATOM 0 H LYS A 14 -6.778 -14.376 -1.861 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.053 -15.017 -4.646 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.021 -13.771 -5.399 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.430 -15.275 -4.599 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -10.025 -13.789 -3.773 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.839 -13.847 -2.483 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.221 -11.743 -4.436 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.824 -11.549 -3.756 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.877 -11.631 -1.453 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.271 -11.882 -2.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.387 -9.641 -1.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.732 -9.778 -3.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.990 -9.518 -2.308 1.00 0.00 H new ATOM 267 N ARG A 15 -5.845 -12.335 -5.023 1.00 0.00 N ATOM 268 CA ARG A 15 -5.221 -11.017 -5.146 1.00 0.00 C ATOM 269 C ARG A 15 -6.270 -9.918 -5.279 1.00 0.00 C ATOM 270 O ARG A 15 -7.142 -10.002 -6.140 1.00 0.00 O ATOM 271 CB ARG A 15 -4.320 -10.962 -6.388 1.00 0.00 C ATOM 272 CG ARG A 15 -2.865 -11.278 -6.021 1.00 0.00 C ATOM 273 CD ARG A 15 -1.914 -11.310 -7.220 1.00 0.00 C ATOM 274 NE ARG A 15 -2.059 -10.129 -8.085 1.00 0.00 N ATOM 275 CZ ARG A 15 -2.684 -10.093 -9.275 1.00 0.00 C ATOM 276 NH1 ARG A 15 -3.262 -11.185 -9.797 1.00 0.00 N ATOM 277 NH2 ARG A 15 -2.736 -8.939 -9.955 1.00 0.00 N ATOM 0 H ARG A 15 -6.317 -12.638 -5.875 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.634 -10.856 -4.242 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.675 -11.675 -7.132 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.379 -9.973 -6.842 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.511 -10.533 -5.309 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.830 -12.243 -5.516 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.886 -11.371 -6.863 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.102 -12.210 -7.805 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.648 -9.257 -7.751 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.234 -12.069 -9.289 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.730 -11.131 -10.702 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.304 -8.100 -9.569 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.208 -8.900 -10.859 1.00 0.00 H new ATOM 291 N MET A 16 -6.118 -8.840 -4.505 1.00 0.00 N ATOM 292 CA MET A 16 -6.699 -7.550 -4.840 1.00 0.00 C ATOM 293 C MET A 16 -5.764 -6.857 -5.830 1.00 0.00 C ATOM 294 O MET A 16 -4.599 -7.231 -5.975 1.00 0.00 O ATOM 295 CB MET A 16 -6.895 -6.699 -3.582 1.00 0.00 C ATOM 296 CG MET A 16 -7.975 -5.620 -3.748 1.00 0.00 C ATOM 297 SD MET A 16 -8.272 -4.614 -2.274 1.00 0.00 S ATOM 298 CE MET A 16 -6.712 -3.698 -2.255 1.00 0.00 C ATOM 0 H MET A 16 -5.589 -8.843 -3.633 1.00 0.00 H new ATOM 0 HA MET A 16 -7.683 -7.686 -5.290 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.164 -7.349 -2.749 1.00 0.00 H new ATOM 0 HB3 MET A 16 -5.950 -6.222 -3.322 1.00 0.00 H new ATOM 0 HG2 MET A 16 -7.689 -4.962 -4.569 1.00 0.00 H new ATOM 0 HG3 MET A 16 -8.909 -6.102 -4.037 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.912 -2.643 -2.067 1.00 0.00 H new ATOM 0 HE2 MET A 16 -6.069 -4.091 -1.468 1.00 0.00 H new ATOM 0 HE3 MET A 16 -6.214 -3.807 -3.219 1.00 0.00 H new ATOM 308 N TYR A 17 -6.288 -5.828 -6.487 1.00 0.00 N ATOM 309 CA TYR A 17 -5.543 -4.946 -7.367 1.00 0.00 C ATOM 310 C TYR A 17 -6.312 -3.636 -7.492 1.00 0.00 C ATOM 311 O TYR A 17 -7.060 -3.426 -8.444 1.00 0.00 O ATOM 312 CB TYR A 17 -5.277 -5.637 -8.717 1.00 0.00 C ATOM 313 CG TYR A 17 -4.708 -4.745 -9.806 1.00 0.00 C ATOM 314 CD1 TYR A 17 -3.650 -3.859 -9.529 1.00 0.00 C ATOM 315 CD2 TYR A 17 -5.276 -4.770 -11.094 1.00 0.00 C ATOM 316 CE1 TYR A 17 -3.183 -2.988 -10.530 1.00 0.00 C ATOM 317 CE2 TYR A 17 -4.836 -3.872 -12.079 1.00 0.00 C ATOM 318 CZ TYR A 17 -3.782 -2.986 -11.801 1.00 0.00 C ATOM 319 OH TYR A 17 -3.336 -2.127 -12.762 1.00 0.00 O ATOM 0 H TYR A 17 -7.275 -5.580 -6.417 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.560 -4.717 -6.957 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.587 -6.465 -8.552 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.212 -6.068 -9.076 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.197 -3.848 -8.549 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.053 -5.483 -11.325 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.362 -2.319 -10.321 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -5.308 -3.862 -13.050 1.00 0.00 H new ATOM 0 HH TYR A 17 -3.857 -2.255 -13.582 1.00 0.00 H new ATOM 329 N ALA A 18 -6.112 -2.755 -6.506 1.00 0.00 N ATOM 330 CA ALA A 18 -6.700 -1.434 -6.478 1.00 0.00 C ATOM 331 C ALA A 18 -5.745 -0.435 -7.106 1.00 0.00 C ATOM 332 O ALA A 18 -4.738 -0.056 -6.514 1.00 0.00 O ATOM 333 CB ALA A 18 -7.055 -1.043 -5.054 1.00 0.00 C ATOM 0 H ALA A 18 -5.525 -2.954 -5.696 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.623 -1.436 -7.058 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.496 -0.046 -5.050 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.770 -1.758 -4.648 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.154 -1.043 -4.441 1.00 0.00 H new ATOM 339 N ARG A 19 -6.093 -0.018 -8.319 1.00 0.00 N ATOM 340 CA ARG A 19 -5.362 0.941 -9.115 1.00 0.00 C ATOM 341 C ARG A 19 -5.915 2.321 -8.738 1.00 0.00 C ATOM 342 O ARG A 19 -6.954 2.727 -9.256 1.00 0.00 O ATOM 343 CB ARG A 19 -5.562 0.571 -10.599 1.00 0.00 C ATOM 344 CG ARG A 19 -4.307 0.781 -11.443 1.00 0.00 C ATOM 345 CD ARG A 19 -3.756 2.194 -11.273 1.00 0.00 C ATOM 346 NE ARG A 19 -3.060 2.647 -12.481 1.00 0.00 N ATOM 347 CZ ARG A 19 -1.872 2.218 -12.942 1.00 0.00 C ATOM 348 NH1 ARG A 19 -1.208 1.225 -12.337 1.00 0.00 N ATOM 349 NH2 ARG A 19 -1.349 2.790 -14.034 1.00 0.00 N ATOM 0 H ARG A 19 -6.932 -0.360 -8.788 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.287 0.945 -8.936 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.869 -0.472 -10.669 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.374 1.171 -11.011 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.547 0.055 -11.156 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.538 0.602 -12.493 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.572 2.879 -11.043 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.071 2.219 -10.426 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.528 3.366 -13.032 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.602 0.778 -11.509 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.308 0.915 -12.704 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.851 3.542 -14.506 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.448 2.474 -14.394 1.00 0.00 H new ATOM 363 N VAL A 20 -5.275 3.004 -7.779 1.00 0.00 N ATOM 364 CA VAL A 20 -5.853 4.183 -7.140 1.00 0.00 C ATOM 365 C VAL A 20 -5.408 5.449 -7.877 1.00 0.00 C ATOM 366 O VAL A 20 -4.222 5.781 -7.888 1.00 0.00 O ATOM 367 CB VAL A 20 -5.493 4.230 -5.643 1.00 0.00 C ATOM 368 CG1 VAL A 20 -6.402 5.223 -4.910 1.00 0.00 C ATOM 369 CG2 VAL A 20 -5.622 2.857 -4.968 1.00 0.00 C ATOM 0 H VAL A 20 -4.350 2.754 -7.430 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.940 4.124 -7.202 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.452 4.547 -5.581 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.137 5.247 -3.853 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.275 6.217 -5.338 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.441 4.912 -5.017 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.357 2.943 -3.914 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.649 2.503 -5.056 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.951 2.148 -5.454 1.00 0.00 H new ATOM 379 N TYR A 21 -6.373 6.145 -8.495 1.00 0.00 N ATOM 380 CA TYR A 21 -6.164 7.342 -9.301 1.00 0.00 C ATOM 381 C TYR A 21 -6.607 8.593 -8.543 1.00 0.00 C ATOM 382 O TYR A 21 -7.657 8.583 -7.903 1.00 0.00 O ATOM 383 CB TYR A 21 -6.996 7.223 -10.579 1.00 0.00 C ATOM 384 CG TYR A 21 -6.550 6.128 -11.529 1.00 0.00 C ATOM 385 CD1 TYR A 21 -5.544 6.381 -12.479 1.00 0.00 C ATOM 386 CD2 TYR A 21 -7.167 4.864 -11.494 1.00 0.00 C ATOM 387 CE1 TYR A 21 -5.182 5.386 -13.403 1.00 0.00 C ATOM 388 CE2 TYR A 21 -6.837 3.885 -12.443 1.00 0.00 C ATOM 389 CZ TYR A 21 -5.841 4.145 -13.399 1.00 0.00 C ATOM 390 OH TYR A 21 -5.491 3.190 -14.308 1.00 0.00 O ATOM 0 H TYR A 21 -7.355 5.874 -8.441 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.102 7.429 -9.533 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.035 7.045 -10.304 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.965 8.177 -11.106 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -5.049 7.341 -12.498 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -7.900 4.646 -10.731 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.395 5.576 -14.118 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.348 2.933 -12.439 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.041 2.390 -14.170 1.00 0.00 H new ATOM 400 N GLY A 22 -5.835 9.681 -8.674 1.00 0.00 N ATOM 401 CA GLY A 22 -6.182 11.014 -8.199 1.00 0.00 C ATOM 402 C GLY A 22 -4.991 11.693 -7.531 1.00 0.00 C ATOM 403 O GLY A 22 -3.843 11.315 -7.765 1.00 0.00 O ATOM 0 H GLY A 22 -4.923 9.649 -9.130 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.527 11.622 -9.035 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.008 10.946 -7.491 1.00 0.00 H new ATOM 407 N LEU A 23 -5.277 12.662 -6.650 1.00 0.00 N ATOM 408 CA LEU A 23 -4.265 13.359 -5.861 1.00 0.00 C ATOM 409 C LEU A 23 -3.785 12.511 -4.672 1.00 0.00 C ATOM 410 O LEU A 23 -3.124 13.012 -3.765 1.00 0.00 O ATOM 411 CB LEU A 23 -4.809 14.731 -5.442 1.00 0.00 C ATOM 412 CG LEU A 23 -3.734 15.766 -5.063 1.00 0.00 C ATOM 413 CD1 LEU A 23 -2.956 16.277 -6.284 1.00 0.00 C ATOM 414 CD2 LEU A 23 -4.415 16.951 -4.372 1.00 0.00 C ATOM 0 H LEU A 23 -6.228 12.983 -6.467 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.377 13.522 -6.472 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.408 15.133 -6.259 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.478 14.596 -4.592 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.019 15.278 -4.400 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.211 17.004 -5.962 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.459 15.440 -6.775 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.646 16.750 -6.983 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.665 17.693 -4.098 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.139 17.401 -5.051 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.927 16.604 -3.474 1.00 0.00 H new ATOM 426 N VAL A 24 -4.075 11.206 -4.696 1.00 0.00 N ATOM 427 CA VAL A 24 -3.411 10.212 -3.867 1.00 0.00 C ATOM 428 C VAL A 24 -1.899 10.237 -4.129 1.00 0.00 C ATOM 429 O VAL A 24 -1.113 10.010 -3.210 1.00 0.00 O ATOM 430 CB VAL A 24 -4.040 8.824 -4.089 1.00 0.00 C ATOM 431 CG1 VAL A 24 -5.451 8.784 -3.489 1.00 0.00 C ATOM 432 CG2 VAL A 24 -4.120 8.427 -5.569 1.00 0.00 C ATOM 0 H VAL A 24 -4.791 10.811 -5.305 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.554 10.452 -2.813 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.386 8.108 -3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -5.887 7.798 -3.651 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.397 8.986 -2.419 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.072 9.540 -3.970 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.573 7.439 -5.657 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.728 9.154 -6.108 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.117 8.406 -5.995 1.00 0.00 H new ATOM 442 N GLN A 25 -1.496 10.591 -5.358 1.00 0.00 N ATOM 443 CA GLN A 25 -0.139 11.022 -5.647 1.00 0.00 C ATOM 444 C GLN A 25 0.080 12.403 -5.031 1.00 0.00 C ATOM 445 O GLN A 25 -0.690 13.326 -5.289 1.00 0.00 O ATOM 446 CB GLN A 25 0.113 11.050 -7.160 1.00 0.00 C ATOM 447 CG GLN A 25 1.169 10.006 -7.528 1.00 0.00 C ATOM 448 CD GLN A 25 0.675 8.567 -7.411 1.00 0.00 C ATOM 449 OE1 GLN A 25 -0.477 8.303 -7.075 1.00 0.00 O ATOM 450 NE2 GLN A 25 1.568 7.628 -7.708 1.00 0.00 N ATOM 0 H GLN A 25 -2.109 10.583 -6.173 1.00 0.00 H new ATOM 0 HA GLN A 25 0.569 10.316 -5.213 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.814 10.848 -7.696 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.447 12.042 -7.464 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.503 10.184 -8.550 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.037 10.137 -6.882 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.514 7.893 -7.982 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.307 6.643 -7.661 1.00 0.00 H new ATOM 459 N GLY A 26 1.132 12.530 -4.217 1.00 0.00 N ATOM 460 CA GLY A 26 1.425 13.728 -3.451 1.00 0.00 C ATOM 461 C GLY A 26 0.753 13.697 -2.077 1.00 0.00 C ATOM 462 O GLY A 26 0.501 14.752 -1.498 1.00 0.00 O ATOM 0 H GLY A 26 1.813 11.784 -4.075 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.503 13.826 -3.327 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.086 14.605 -4.003 1.00 0.00 H new ATOM 466 N VAL A 27 0.495 12.495 -1.543 1.00 0.00 N ATOM 467 CA VAL A 27 0.018 12.268 -0.187 1.00 0.00 C ATOM 468 C VAL A 27 0.453 10.860 0.236 1.00 0.00 C ATOM 469 O VAL A 27 0.647 9.989 -0.613 1.00 0.00 O ATOM 470 CB VAL A 27 -1.506 12.534 -0.091 1.00 0.00 C ATOM 471 CG1 VAL A 27 -2.336 11.360 0.450 1.00 0.00 C ATOM 472 CG2 VAL A 27 -1.763 13.761 0.793 1.00 0.00 C ATOM 0 H VAL A 27 0.620 11.629 -2.068 1.00 0.00 H new ATOM 0 HA VAL A 27 0.460 12.971 0.519 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.832 12.695 -1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.389 11.642 0.480 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.210 10.495 -0.201 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.999 11.109 1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.835 13.945 0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.365 13.580 1.791 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.272 14.632 0.359 1.00 0.00 H new ATOM 482 N GLY A 28 0.650 10.657 1.544 1.00 0.00 N ATOM 483 CA GLY A 28 1.167 9.419 2.107 1.00 0.00 C ATOM 484 C GLY A 28 0.290 8.222 1.740 1.00 0.00 C ATOM 485 O GLY A 28 0.719 7.364 0.967 1.00 0.00 O ATOM 0 H GLY A 28 0.448 11.367 2.248 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.182 9.251 1.746 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.225 9.509 3.192 1.00 0.00 H new ATOM 489 N PHE A 29 -0.928 8.178 2.301 1.00 0.00 N ATOM 490 CA PHE A 29 -1.902 7.112 2.095 1.00 0.00 C ATOM 491 C PHE A 29 -1.253 5.754 2.390 1.00 0.00 C ATOM 492 O PHE A 29 -0.846 5.569 3.532 1.00 0.00 O ATOM 493 CB PHE A 29 -2.552 7.286 0.711 1.00 0.00 C ATOM 494 CG PHE A 29 -3.588 6.251 0.314 1.00 0.00 C ATOM 495 CD1 PHE A 29 -4.586 5.850 1.222 1.00 0.00 C ATOM 496 CD2 PHE A 29 -3.550 5.683 -0.975 1.00 0.00 C ATOM 497 CE1 PHE A 29 -5.548 4.899 0.841 1.00 0.00 C ATOM 498 CE2 PHE A 29 -4.503 4.722 -1.349 1.00 0.00 C ATOM 499 CZ PHE A 29 -5.517 4.347 -0.452 1.00 0.00 C ATOM 0 H PHE A 29 -1.266 8.908 2.928 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.733 7.164 2.798 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.021 8.269 0.676 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.762 7.283 -0.040 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.613 6.275 2.215 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.787 5.987 -1.676 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.311 4.592 1.541 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.456 4.270 -2.329 1.00 0.00 H new ATOM 0 HZ PHE A 29 -6.271 3.636 -0.755 1.00 0.00 H new ATOM 509 N ARG A 30 -1.137 4.857 1.396 1.00 0.00 N ATOM 510 CA ARG A 30 -0.389 3.599 1.394 1.00 0.00 C ATOM 511 C ARG A 30 -0.396 2.855 2.735 1.00 0.00 C ATOM 512 O ARG A 30 -1.201 1.947 2.915 1.00 0.00 O ATOM 513 CB ARG A 30 1.028 3.849 0.871 1.00 0.00 C ATOM 514 CG ARG A 30 1.008 4.171 -0.628 1.00 0.00 C ATOM 515 CD ARG A 30 2.402 4.569 -1.119 1.00 0.00 C ATOM 516 NE ARG A 30 2.716 5.944 -0.712 1.00 0.00 N ATOM 517 CZ ARG A 30 3.865 6.590 -0.968 1.00 0.00 C ATOM 518 NH1 ARG A 30 4.863 5.993 -1.631 1.00 0.00 N ATOM 519 NH2 ARG A 30 4.005 7.855 -0.550 1.00 0.00 N ATOM 0 H ARG A 30 -1.604 5.011 0.502 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.908 2.919 0.718 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.482 4.675 1.419 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.647 2.970 1.050 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.655 3.303 -1.186 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.305 4.981 -0.821 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.146 3.884 -0.713 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.450 4.485 -2.205 1.00 0.00 H new ATOM 0 HE ARG A 30 2.001 6.452 -0.191 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.758 5.030 -1.952 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.728 6.501 -1.816 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.245 8.313 -0.046 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.871 8.361 -0.736 1.00 0.00 H new ATOM 533 N LYS A 31 0.492 3.249 3.661 1.00 0.00 N ATOM 534 CA LYS A 31 0.517 2.847 5.064 1.00 0.00 C ATOM 535 C LYS A 31 -0.891 2.611 5.626 1.00 0.00 C ATOM 536 O LYS A 31 -1.142 1.600 6.273 1.00 0.00 O ATOM 537 CB LYS A 31 1.219 3.945 5.871 1.00 0.00 C ATOM 538 CG LYS A 31 1.475 3.518 7.322 1.00 0.00 C ATOM 539 CD LYS A 31 2.192 4.634 8.087 1.00 0.00 C ATOM 540 CE LYS A 31 2.367 4.236 9.556 1.00 0.00 C ATOM 541 NZ LYS A 31 3.003 5.312 10.292 1.00 0.00 N ATOM 0 H LYS A 31 1.250 3.891 3.432 1.00 0.00 H new ATOM 0 HA LYS A 31 1.055 1.902 5.141 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.167 4.195 5.394 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.609 4.848 5.861 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.530 3.282 7.811 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.078 2.610 7.340 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.165 4.828 7.636 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.619 5.559 8.018 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.397 4.007 9.997 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.970 3.331 9.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.117 5.032 11.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.937 5.511 9.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.412 6.166 10.238 1.00 0.00 H new ATOM 554 N PHE A 32 -1.807 3.555 5.382 1.00 0.00 N ATOM 555 CA PHE A 32 -3.183 3.481 5.859 1.00 0.00 C ATOM 556 C PHE A 32 -3.883 2.194 5.397 1.00 0.00 C ATOM 557 O PHE A 32 -4.605 1.557 6.163 1.00 0.00 O ATOM 558 CB PHE A 32 -3.944 4.718 5.361 1.00 0.00 C ATOM 559 CG PHE A 32 -5.375 4.892 5.856 1.00 0.00 C ATOM 560 CD1 PHE A 32 -5.830 4.283 7.044 1.00 0.00 C ATOM 561 CD2 PHE A 32 -6.274 5.666 5.096 1.00 0.00 C ATOM 562 CE1 PHE A 32 -7.157 4.453 7.470 1.00 0.00 C ATOM 563 CE2 PHE A 32 -7.599 5.841 5.526 1.00 0.00 C ATOM 564 CZ PHE A 32 -8.042 5.241 6.716 1.00 0.00 C ATOM 0 H PHE A 32 -1.607 4.397 4.843 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.174 3.460 6.949 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.376 5.603 5.647 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.963 4.689 4.272 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.152 3.681 7.631 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.942 6.127 4.178 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.497 3.978 8.378 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.280 6.439 4.939 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.059 5.385 7.050 1.00 0.00 H new ATOM 574 N VAL A 33 -3.697 1.827 4.125 1.00 0.00 N ATOM 575 CA VAL A 33 -4.234 0.594 3.554 1.00 0.00 C ATOM 576 C VAL A 33 -3.550 -0.614 4.186 1.00 0.00 C ATOM 577 O VAL A 33 -4.193 -1.635 4.428 1.00 0.00 O ATOM 578 CB VAL A 33 -4.077 0.570 2.022 1.00 0.00 C ATOM 579 CG1 VAL A 33 -4.791 -0.652 1.428 1.00 0.00 C ATOM 580 CG2 VAL A 33 -4.652 1.832 1.376 1.00 0.00 C ATOM 0 H VAL A 33 -3.164 2.385 3.459 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.301 0.552 3.774 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.009 0.520 1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.670 -0.653 0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.359 -1.563 1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.852 -0.609 1.674 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.523 1.779 0.295 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.713 1.910 1.611 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.130 2.708 1.761 1.00 0.00 H new ATOM 590 N GLN A 34 -2.251 -0.485 4.467 1.00 0.00 N ATOM 591 CA GLN A 34 -1.482 -1.537 5.099 1.00 0.00 C ATOM 592 C GLN A 34 -2.048 -1.828 6.491 1.00 0.00 C ATOM 593 O GLN A 34 -2.263 -2.990 6.793 1.00 0.00 O ATOM 594 CB GLN A 34 0.024 -1.218 5.111 1.00 0.00 C ATOM 595 CG GLN A 34 0.760 -1.622 3.827 1.00 0.00 C ATOM 596 CD GLN A 34 0.297 -0.840 2.603 1.00 0.00 C ATOM 597 OE1 GLN A 34 0.952 0.100 2.163 1.00 0.00 O ATOM 598 NE2 GLN A 34 -0.838 -1.241 2.040 1.00 0.00 N ATOM 0 H GLN A 34 -1.711 0.355 4.259 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.577 -2.449 4.509 1.00 0.00 H new ATOM 0 HB2 GLN A 34 0.157 -0.148 5.272 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.486 -1.727 5.957 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.830 -1.469 3.965 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.610 -2.687 3.649 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.354 -2.027 2.436 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.193 -0.763 1.212 1.00 0.00 H new ATOM 607 N ILE A 35 -2.328 -0.813 7.318 1.00 0.00 N ATOM 608 CA ILE A 35 -2.762 -0.978 8.707 1.00 0.00 C ATOM 609 C ILE A 35 -3.734 -2.149 8.936 1.00 0.00 C ATOM 610 O ILE A 35 -3.413 -3.029 9.733 1.00 0.00 O ATOM 611 CB ILE A 35 -3.259 0.373 9.265 1.00 0.00 C ATOM 612 CG1 ILE A 35 -2.070 1.263 9.668 1.00 0.00 C ATOM 613 CG2 ILE A 35 -4.226 0.240 10.446 1.00 0.00 C ATOM 614 CD1 ILE A 35 -1.478 0.893 11.035 1.00 0.00 C ATOM 0 H ILE A 35 -2.257 0.164 7.033 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.890 -1.279 9.288 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.819 0.837 8.453 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.292 1.186 8.909 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.393 2.304 9.688 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.530 1.232 10.781 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.106 -0.323 10.134 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.731 -0.284 11.264 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.644 1.557 11.262 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.244 0.997 11.803 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.126 -0.138 11.012 1.00 0.00 H new ATOM 626 N HIS A 36 -4.880 -2.200 8.240 1.00 0.00 N ATOM 627 CA HIS A 36 -5.819 -3.321 8.355 1.00 0.00 C ATOM 628 C HIS A 36 -5.220 -4.606 7.769 1.00 0.00 C ATOM 629 O HIS A 36 -5.288 -5.660 8.396 1.00 0.00 O ATOM 630 CB HIS A 36 -7.153 -2.992 7.669 1.00 0.00 C ATOM 631 CG HIS A 36 -8.180 -2.380 8.589 1.00 0.00 C ATOM 632 ND1 HIS A 36 -9.507 -2.810 8.572 1.00 0.00 N ATOM 633 CD2 HIS A 36 -8.042 -1.416 9.554 1.00 0.00 C ATOM 634 CE1 HIS A 36 -10.119 -2.079 9.508 1.00 0.00 C ATOM 635 NE2 HIS A 36 -9.284 -1.229 10.126 1.00 0.00 N ATOM 0 H HIS A 36 -5.178 -1.473 7.589 1.00 0.00 H new ATOM 0 HA HIS A 36 -6.008 -3.486 9.416 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -6.966 -2.306 6.843 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -7.564 -3.905 7.239 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -7.131 -0.899 9.818 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -11.170 -2.163 9.742 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -9.521 -0.574 10.871 1.00 0.00 H new ATOM 643 N ALA A 37 -4.657 -4.526 6.560 1.00 0.00 N ATOM 644 CA ALA A 37 -4.027 -5.651 5.877 1.00 0.00 C ATOM 645 C ALA A 37 -3.024 -6.374 6.786 1.00 0.00 C ATOM 646 O ALA A 37 -3.241 -7.523 7.162 1.00 0.00 O ATOM 647 CB ALA A 37 -3.400 -5.126 4.580 1.00 0.00 C ATOM 0 H ALA A 37 -4.628 -3.660 6.022 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.770 -6.408 5.624 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.921 -5.948 4.049 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.176 -4.691 3.951 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.656 -4.365 4.817 1.00 0.00 H new ATOM 653 N ILE A 38 -1.951 -5.673 7.162 1.00 0.00 N ATOM 654 CA ILE A 38 -0.935 -6.048 8.136 1.00 0.00 C ATOM 655 C ILE A 38 -1.581 -6.662 9.379 1.00 0.00 C ATOM 656 O ILE A 38 -1.183 -7.750 9.792 1.00 0.00 O ATOM 657 CB ILE A 38 -0.091 -4.791 8.455 1.00 0.00 C ATOM 658 CG1 ILE A 38 1.027 -4.581 7.416 1.00 0.00 C ATOM 659 CG2 ILE A 38 0.554 -4.812 9.847 1.00 0.00 C ATOM 660 CD1 ILE A 38 0.579 -4.623 5.950 1.00 0.00 C ATOM 0 H ILE A 38 -1.760 -4.756 6.758 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.275 -6.816 7.734 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.806 -3.969 8.423 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.500 -3.618 7.606 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.789 -5.346 7.567 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.129 -3.898 9.996 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.224 -4.879 10.607 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.216 -5.674 9.928 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.441 -4.465 5.302 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.135 -5.595 5.733 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.158 -3.840 5.772 1.00 0.00 H new ATOM 672 N ARG A 39 -2.575 -5.970 9.961 1.00 0.00 N ATOM 673 CA ARG A 39 -3.264 -6.419 11.172 1.00 0.00 C ATOM 674 C ARG A 39 -3.761 -7.856 11.013 1.00 0.00 C ATOM 675 O ARG A 39 -3.653 -8.658 11.940 1.00 0.00 O ATOM 676 CB ARG A 39 -4.460 -5.492 11.470 1.00 0.00 C ATOM 677 CG ARG A 39 -4.222 -4.516 12.629 1.00 0.00 C ATOM 678 CD ARG A 39 -4.845 -5.066 13.913 1.00 0.00 C ATOM 679 NE ARG A 39 -4.323 -6.403 14.231 1.00 0.00 N ATOM 680 CZ ARG A 39 -4.945 -7.329 14.978 1.00 0.00 C ATOM 681 NH1 ARG A 39 -6.068 -7.034 15.649 1.00 0.00 N ATOM 682 NH2 ARG A 39 -4.433 -8.565 15.046 1.00 0.00 N ATOM 0 H ARG A 39 -2.921 -5.081 9.600 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.557 -6.383 12.001 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.697 -4.922 10.572 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.333 -6.104 11.698 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.152 -4.362 12.771 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.656 -3.544 12.392 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.638 -4.387 14.740 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.928 -5.113 13.803 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.409 -6.648 13.851 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.462 -6.095 15.596 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.528 -7.749 16.212 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.581 -8.793 14.534 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.895 -9.278 15.610 1.00 0.00 H new ATOM 696 N LEU A 40 -4.313 -8.149 9.829 1.00 0.00 N ATOM 697 CA LEU A 40 -4.918 -9.425 9.474 1.00 0.00 C ATOM 698 C LEU A 40 -3.974 -10.309 8.642 1.00 0.00 C ATOM 699 O LEU A 40 -4.438 -11.222 7.963 1.00 0.00 O ATOM 700 CB LEU A 40 -6.231 -9.156 8.731 1.00 0.00 C ATOM 701 CG LEU A 40 -7.190 -8.262 9.533 1.00 0.00 C ATOM 702 CD1 LEU A 40 -8.437 -8.024 8.688 1.00 0.00 C ATOM 703 CD2 LEU A 40 -7.597 -8.877 10.878 1.00 0.00 C ATOM 0 H LEU A 40 -4.348 -7.472 9.067 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.120 -9.983 10.388 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.012 -8.682 7.774 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.721 -10.104 8.512 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.672 -7.330 9.758 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.134 -7.391 9.238 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.157 -7.532 7.757 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.913 -8.979 8.465 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.274 -8.199 11.398 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.098 -9.830 10.706 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.708 -9.040 11.488 1.00 0.00 H new ATOM 715 N GLY A 41 -2.656 -10.067 8.710 1.00 0.00 N ATOM 716 CA GLY A 41 -1.637 -10.911 8.100 1.00 0.00 C ATOM 717 C GLY A 41 -1.788 -11.022 6.581 1.00 0.00 C ATOM 718 O GLY A 41 -2.063 -12.107 6.071 1.00 0.00 O ATOM 0 H GLY A 41 -2.269 -9.262 9.202 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.651 -10.509 8.334 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.687 -11.907 8.539 1.00 0.00 H new ATOM 722 N ILE A 42 -1.590 -9.907 5.868 1.00 0.00 N ATOM 723 CA ILE A 42 -1.719 -9.813 4.420 1.00 0.00 C ATOM 724 C ILE A 42 -0.381 -9.391 3.807 1.00 0.00 C ATOM 725 O ILE A 42 0.335 -8.570 4.380 1.00 0.00 O ATOM 726 CB ILE A 42 -2.846 -8.827 4.071 1.00 0.00 C ATOM 727 CG1 ILE A 42 -4.217 -9.286 4.588 1.00 0.00 C ATOM 728 CG2 ILE A 42 -2.923 -8.529 2.570 1.00 0.00 C ATOM 729 CD1 ILE A 42 -4.717 -10.588 3.971 1.00 0.00 C ATOM 0 H ILE A 42 -1.328 -9.022 6.302 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.981 -10.785 4.002 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.585 -7.903 4.587 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.162 -9.408 5.670 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.947 -8.501 4.392 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.735 -7.828 2.379 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.981 -8.093 2.237 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.107 -9.454 2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.691 -10.839 4.391 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.808 -10.468 2.891 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.010 -11.389 4.189 1.00 0.00 H new ATOM 741 N LYS A 43 -0.069 -9.961 2.635 1.00 0.00 N ATOM 742 CA LYS A 43 1.106 -9.645 1.827 1.00 0.00 C ATOM 743 C LYS A 43 0.655 -8.827 0.616 1.00 0.00 C ATOM 744 O LYS A 43 -0.540 -8.619 0.431 1.00 0.00 O ATOM 745 CB LYS A 43 1.829 -10.928 1.401 1.00 0.00 C ATOM 746 CG LYS A 43 2.168 -11.775 2.636 1.00 0.00 C ATOM 747 CD LYS A 43 3.000 -13.006 2.268 1.00 0.00 C ATOM 748 CE LYS A 43 3.280 -13.889 3.489 1.00 0.00 C ATOM 749 NZ LYS A 43 4.075 -13.176 4.473 1.00 0.00 N ATOM 0 H LYS A 43 -0.654 -10.682 2.212 1.00 0.00 H new ATOM 0 HA LYS A 43 1.816 -9.059 2.411 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.200 -11.500 0.719 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.741 -10.678 0.860 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.717 -11.167 3.355 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.246 -12.092 3.124 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.473 -13.588 1.512 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.944 -12.688 1.825 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.338 -14.206 3.937 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.805 -14.792 3.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.423 -13.845 5.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.883 -12.721 4.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.489 -12.450 4.933 1.00 0.00 H new ATOM 762 N GLY A 44 1.591 -8.354 -0.211 1.00 0.00 N ATOM 763 CA GLY A 44 1.259 -7.565 -1.391 1.00 0.00 C ATOM 764 C GLY A 44 2.282 -6.460 -1.607 1.00 0.00 C ATOM 765 O GLY A 44 3.450 -6.640 -1.270 1.00 0.00 O ATOM 0 H GLY A 44 2.591 -8.508 -0.080 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.224 -8.211 -2.268 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.266 -7.130 -1.276 1.00 0.00 H new ATOM 769 N TYR A 45 1.853 -5.312 -2.158 1.00 0.00 N ATOM 770 CA TYR A 45 2.750 -4.185 -2.371 1.00 0.00 C ATOM 771 C TYR A 45 1.987 -2.959 -2.868 1.00 0.00 C ATOM 772 O TYR A 45 1.075 -3.083 -3.685 1.00 0.00 O ATOM 773 CB TYR A 45 3.849 -4.543 -3.371 1.00 0.00 C ATOM 774 CG TYR A 45 5.165 -3.823 -3.186 1.00 0.00 C ATOM 775 CD1 TYR A 45 6.139 -4.351 -2.318 1.00 0.00 C ATOM 776 CD2 TYR A 45 5.491 -2.754 -4.032 1.00 0.00 C ATOM 777 CE1 TYR A 45 7.437 -3.807 -2.303 1.00 0.00 C ATOM 778 CE2 TYR A 45 6.790 -2.220 -4.031 1.00 0.00 C ATOM 779 CZ TYR A 45 7.762 -2.740 -3.159 1.00 0.00 C ATOM 780 OH TYR A 45 9.022 -2.221 -3.155 1.00 0.00 O ATOM 0 H TYR A 45 0.892 -5.149 -2.460 1.00 0.00 H new ATOM 0 HA TYR A 45 3.207 -3.948 -1.410 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.032 -5.616 -3.313 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.481 -4.336 -4.376 1.00 0.00 H new ATOM 0 HD1 TYR A 45 5.890 -5.173 -1.664 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.740 -2.339 -4.688 1.00 0.00 H new ATOM 0 HE1 TYR A 45 8.183 -4.209 -1.634 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.042 -1.410 -4.700 1.00 0.00 H new ATOM 0 HH TYR A 45 9.235 -1.873 -4.046 1.00 0.00 H new ATOM 790 N ALA A 46 2.381 -1.787 -2.360 1.00 0.00 N ATOM 791 CA ALA A 46 1.714 -0.511 -2.603 1.00 0.00 C ATOM 792 C ALA A 46 2.652 0.447 -3.328 1.00 0.00 C ATOM 793 O ALA A 46 3.372 1.208 -2.684 1.00 0.00 O ATOM 794 CB ALA A 46 1.239 0.066 -1.264 1.00 0.00 C ATOM 0 H ALA A 46 3.196 -1.701 -1.752 1.00 0.00 H new ATOM 0 HA ALA A 46 0.846 -0.660 -3.245 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.739 1.019 -1.435 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.543 -0.629 -0.795 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.097 0.218 -0.609 1.00 0.00 H new ATOM 800 N LYS A 47 2.660 0.394 -4.663 1.00 0.00 N ATOM 801 CA LYS A 47 3.676 1.031 -5.486 1.00 0.00 C ATOM 802 C LYS A 47 3.171 2.356 -6.033 1.00 0.00 C ATOM 803 O LYS A 47 2.342 2.387 -6.942 1.00 0.00 O ATOM 804 CB LYS A 47 4.125 0.074 -6.593 1.00 0.00 C ATOM 805 CG LYS A 47 5.150 0.705 -7.545 1.00 0.00 C ATOM 806 CD LYS A 47 5.731 -0.291 -8.557 1.00 0.00 C ATOM 807 CE LYS A 47 6.680 -1.303 -7.900 1.00 0.00 C ATOM 808 NZ LYS A 47 7.350 -2.085 -8.920 1.00 0.00 N ATOM 0 H LYS A 47 1.950 -0.100 -5.203 1.00 0.00 H new ATOM 0 HA LYS A 47 4.549 1.258 -4.874 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.557 -0.819 -6.142 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.254 -0.247 -7.165 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.678 1.526 -8.084 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.963 1.134 -6.960 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.916 -0.825 -9.046 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.267 0.255 -9.334 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.416 -0.781 -7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.121 -1.960 -7.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.991 -2.768 -8.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.643 -2.596 -9.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.898 -1.453 -9.538 1.00 0.00 H new ATOM 821 N ASN A 48 3.712 3.446 -5.486 1.00 0.00 N ATOM 822 CA ASN A 48 3.468 4.788 -5.980 1.00 0.00 C ATOM 823 C ASN A 48 4.285 5.028 -7.251 1.00 0.00 C ATOM 824 O ASN A 48 5.510 4.972 -7.194 1.00 0.00 O ATOM 825 CB ASN A 48 3.855 5.792 -4.886 1.00 0.00 C ATOM 826 CG ASN A 48 3.457 7.222 -5.234 1.00 0.00 C ATOM 827 OD1 ASN A 48 4.100 7.869 -6.059 1.00 0.00 O ATOM 828 ND2 ASN A 48 2.397 7.726 -4.600 1.00 0.00 N ATOM 0 H ASN A 48 4.337 3.414 -4.680 1.00 0.00 H new ATOM 0 HA ASN A 48 2.414 4.914 -6.226 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.378 5.504 -3.949 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.932 5.748 -4.722 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.094 8.680 -4.793 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.890 7.157 -3.922 1.00 0.00 H new ATOM 835 N LEU A 49 3.627 5.317 -8.382 1.00 0.00 N ATOM 836 CA LEU A 49 4.281 5.799 -9.591 1.00 0.00 C ATOM 837 C LEU A 49 4.259 7.331 -9.548 1.00 0.00 C ATOM 838 O LEU A 49 3.227 7.914 -9.876 1.00 0.00 O ATOM 839 CB LEU A 49 3.521 5.297 -10.824 1.00 0.00 C ATOM 840 CG LEU A 49 3.386 3.772 -10.887 1.00 0.00 C ATOM 841 CD1 LEU A 49 2.367 3.412 -11.972 1.00 0.00 C ATOM 842 CD2 LEU A 49 4.719 3.073 -11.177 1.00 0.00 C ATOM 0 H LEU A 49 2.616 5.219 -8.477 1.00 0.00 H new ATOM 0 HA LEU A 49 5.307 5.434 -9.648 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.526 5.741 -10.832 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.033 5.645 -11.721 1.00 0.00 H new ATOM 0 HG LEU A 49 3.052 3.425 -9.909 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.262 2.329 -12.027 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.403 3.858 -11.728 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.710 3.792 -12.934 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.565 1.995 -11.210 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.107 3.414 -12.137 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.434 3.313 -10.390 1.00 0.00 H new ATOM 854 N PRO A 50 5.328 8.019 -9.114 1.00 0.00 N ATOM 855 CA PRO A 50 5.275 9.457 -8.897 1.00 0.00 C ATOM 856 C PRO A 50 5.029 10.182 -10.221 1.00 0.00 C ATOM 857 O PRO A 50 5.556 9.776 -11.256 1.00 0.00 O ATOM 858 CB PRO A 50 6.611 9.824 -8.257 1.00 0.00 C ATOM 859 CG PRO A 50 7.557 8.754 -8.799 1.00 0.00 C ATOM 860 CD PRO A 50 6.664 7.516 -8.843 1.00 0.00 C ATOM 0 HA PRO A 50 4.454 9.756 -8.246 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.932 10.827 -8.539 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.557 9.801 -7.169 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.940 9.013 -9.786 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.420 8.609 -8.150 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.989 6.824 -9.620 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.696 6.973 -7.898 1.00 0.00 H new ATOM 868 N ASP A 51 4.167 11.205 -10.181 1.00 0.00 N ATOM 869 CA ASP A 51 3.545 11.806 -11.353 1.00 0.00 C ATOM 870 C ASP A 51 2.778 10.730 -12.132 1.00 0.00 C ATOM 871 O ASP A 51 3.067 10.457 -13.295 1.00 0.00 O ATOM 872 CB ASP A 51 4.580 12.566 -12.202 1.00 0.00 C ATOM 873 CG ASP A 51 3.935 13.358 -13.340 1.00 0.00 C ATOM 874 OD1 ASP A 51 2.808 13.826 -13.198 1.00 0.00 O ATOM 875 OD2 ASP A 51 4.687 13.492 -14.470 1.00 0.00 O ATOM 0 H ASP A 51 3.879 11.645 -9.307 1.00 0.00 H new ATOM 0 HA ASP A 51 2.819 12.558 -11.044 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.141 13.247 -11.562 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.296 11.857 -12.617 1.00 0.00 H new ATOM 881 N GLY A 52 1.804 10.106 -11.458 1.00 0.00 N ATOM 882 CA GLY A 52 1.013 9.008 -11.971 1.00 0.00 C ATOM 883 C GLY A 52 0.000 8.581 -10.911 1.00 0.00 C ATOM 884 O GLY A 52 -0.583 9.425 -10.232 1.00 0.00 O ATOM 0 H GLY A 52 1.545 10.370 -10.507 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.498 9.310 -12.883 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.659 8.170 -12.233 1.00 0.00 H new ATOM 888 N SER A 53 -0.201 7.267 -10.786 1.00 0.00 N ATOM 889 CA SER A 53 -1.185 6.634 -9.914 1.00 0.00 C ATOM 890 C SER A 53 -0.490 5.641 -8.977 1.00 0.00 C ATOM 891 O SER A 53 0.610 5.176 -9.274 1.00 0.00 O ATOM 892 CB SER A 53 -2.242 5.940 -10.780 1.00 0.00 C ATOM 893 OG SER A 53 -1.631 5.088 -11.725 1.00 0.00 O ATOM 0 H SER A 53 0.344 6.587 -11.316 1.00 0.00 H new ATOM 0 HA SER A 53 -1.678 7.384 -9.295 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.917 5.364 -10.147 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.846 6.687 -11.294 1.00 0.00 H new ATOM 0 HG SER A 53 -2.104 5.156 -12.581 1.00 0.00 H new ATOM 899 N VAL A 54 -1.114 5.344 -7.831 1.00 0.00 N ATOM 900 CA VAL A 54 -0.565 4.442 -6.825 1.00 0.00 C ATOM 901 C VAL A 54 -1.363 3.143 -6.816 1.00 0.00 C ATOM 902 O VAL A 54 -2.497 3.102 -6.341 1.00 0.00 O ATOM 903 CB VAL A 54 -0.444 5.133 -5.453 1.00 0.00 C ATOM 904 CG1 VAL A 54 -1.722 5.804 -4.938 1.00 0.00 C ATOM 905 CG2 VAL A 54 0.070 4.167 -4.376 1.00 0.00 C ATOM 0 H VAL A 54 -2.024 5.730 -7.578 1.00 0.00 H new ATOM 0 HA VAL A 54 0.460 4.174 -7.083 1.00 0.00 H new ATOM 0 HB VAL A 54 0.276 5.930 -5.636 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.528 6.259 -3.967 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.038 6.573 -5.643 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.510 5.057 -4.838 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.142 4.690 -3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.621 3.329 -4.279 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.054 3.795 -4.661 1.00 0.00 H new ATOM 915 N GLU A 55 -0.765 2.086 -7.374 1.00 0.00 N ATOM 916 CA GLU A 55 -1.394 0.782 -7.498 1.00 0.00 C ATOM 917 C GLU A 55 -1.032 -0.116 -6.321 1.00 0.00 C ATOM 918 O GLU A 55 0.126 -0.185 -5.913 1.00 0.00 O ATOM 919 CB GLU A 55 -1.108 0.121 -8.851 1.00 0.00 C ATOM 920 CG GLU A 55 0.347 -0.270 -9.154 1.00 0.00 C ATOM 921 CD GLU A 55 1.249 0.908 -9.511 1.00 0.00 C ATOM 922 OE1 GLU A 55 0.764 2.018 -9.709 1.00 0.00 O ATOM 923 OE2 GLU A 55 2.577 0.617 -9.600 1.00 0.00 O ATOM 0 H GLU A 55 0.181 2.120 -7.755 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.472 0.937 -7.466 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.720 -0.778 -8.923 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.445 0.799 -9.635 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.763 -0.781 -8.286 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.356 -0.983 -9.978 1.00 0.00 H new ATOM 931 N VAL A 56 -2.057 -0.776 -5.775 1.00 0.00 N ATOM 932 CA VAL A 56 -1.983 -1.542 -4.544 1.00 0.00 C ATOM 933 C VAL A 56 -2.516 -2.950 -4.790 1.00 0.00 C ATOM 934 O VAL A 56 -3.707 -3.106 -5.046 1.00 0.00 O ATOM 935 CB VAL A 56 -2.815 -0.834 -3.460 1.00 0.00 C ATOM 936 CG1 VAL A 56 -2.755 -1.631 -2.153 1.00 0.00 C ATOM 937 CG2 VAL A 56 -2.296 0.583 -3.185 1.00 0.00 C ATOM 0 H VAL A 56 -2.986 -0.788 -6.196 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.948 -1.613 -4.209 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.840 -0.771 -3.826 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.346 -1.124 -1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.156 -2.631 -2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.720 -1.706 -1.820 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.908 1.051 -2.414 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.261 0.532 -2.846 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.349 1.174 -4.099 1.00 0.00 H new ATOM 947 N VAL A 57 -1.659 -3.971 -4.650 1.00 0.00 N ATOM 948 CA VAL A 57 -2.103 -5.356 -4.540 1.00 0.00 C ATOM 949 C VAL A 57 -2.092 -5.755 -3.064 1.00 0.00 C ATOM 950 O VAL A 57 -1.201 -5.339 -2.324 1.00 0.00 O ATOM 951 CB VAL A 57 -1.259 -6.303 -5.415 1.00 0.00 C ATOM 952 CG1 VAL A 57 -1.399 -5.949 -6.901 1.00 0.00 C ATOM 953 CG2 VAL A 57 0.225 -6.325 -5.037 1.00 0.00 C ATOM 0 H VAL A 57 -0.646 -3.855 -4.611 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.120 -5.444 -4.921 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.655 -7.301 -5.230 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.793 -6.632 -7.496 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.444 -6.036 -7.199 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.059 -4.926 -7.065 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.758 -7.013 -5.694 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.643 -5.324 -5.144 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.332 -6.654 -4.003 1.00 0.00 H new ATOM 963 N ALA A 58 -3.091 -6.542 -2.644 1.00 0.00 N ATOM 964 CA ALA A 58 -3.240 -7.047 -1.284 1.00 0.00 C ATOM 965 C ALA A 58 -3.717 -8.496 -1.368 1.00 0.00 C ATOM 966 O ALA A 58 -4.722 -8.772 -2.019 1.00 0.00 O ATOM 967 CB ALA A 58 -4.243 -6.189 -0.510 1.00 0.00 C ATOM 0 H ALA A 58 -3.838 -6.851 -3.265 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.288 -7.001 -0.754 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.346 -6.575 0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.888 -5.159 -0.471 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.211 -6.220 -1.010 1.00 0.00 H new ATOM 973 N GLU A 59 -2.972 -9.425 -0.762 1.00 0.00 N ATOM 974 CA GLU A 59 -3.068 -10.844 -1.051 1.00 0.00 C ATOM 975 C GLU A 59 -3.743 -11.549 0.118 1.00 0.00 C ATOM 976 O GLU A 59 -3.056 -11.956 1.054 1.00 0.00 O ATOM 977 CB GLU A 59 -1.669 -11.413 -1.323 1.00 0.00 C ATOM 978 CG GLU A 59 -0.999 -10.675 -2.487 1.00 0.00 C ATOM 979 CD GLU A 59 0.281 -11.368 -2.944 1.00 0.00 C ATOM 980 OE1 GLU A 59 0.394 -11.722 -4.117 1.00 0.00 O ATOM 981 OE2 GLU A 59 1.235 -11.543 -1.987 1.00 0.00 O ATOM 0 H GLU A 59 -2.278 -9.201 -0.048 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.672 -11.007 -1.943 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.054 -11.323 -0.427 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.742 -12.476 -1.554 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.695 -10.611 -3.324 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.770 -9.653 -2.184 1.00 0.00 H new ATOM 989 N GLY A 60 -5.079 -11.664 0.085 1.00 0.00 N ATOM 990 CA GLY A 60 -5.842 -12.136 1.231 1.00 0.00 C ATOM 991 C GLY A 60 -6.829 -13.249 0.921 1.00 0.00 C ATOM 992 O GLY A 60 -7.225 -13.471 -0.221 1.00 0.00 O ATOM 0 H GLY A 60 -5.647 -11.434 -0.730 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.147 -12.487 1.994 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.387 -11.295 1.659 1.00 0.00 H new ATOM 996 N TYR A 61 -7.253 -13.916 1.997 1.00 0.00 N ATOM 997 CA TYR A 61 -8.419 -14.769 2.034 1.00 0.00 C ATOM 998 C TYR A 61 -9.659 -13.878 1.960 1.00 0.00 C ATOM 999 O TYR A 61 -9.564 -12.670 2.168 1.00 0.00 O ATOM 1000 CB TYR A 61 -8.364 -15.605 3.316 1.00 0.00 C ATOM 1001 CG TYR A 61 -7.212 -16.591 3.372 1.00 0.00 C ATOM 1002 CD1 TYR A 61 -5.923 -16.138 3.699 1.00 0.00 C ATOM 1003 CD2 TYR A 61 -7.396 -17.936 3.002 1.00 0.00 C ATOM 1004 CE1 TYR A 61 -4.829 -17.016 3.667 1.00 0.00 C ATOM 1005 CE2 TYR A 61 -6.285 -18.784 2.858 1.00 0.00 C ATOM 1006 CZ TYR A 61 -5.000 -18.330 3.206 1.00 0.00 C ATOM 1007 OH TYR A 61 -3.918 -19.150 3.079 1.00 0.00 O ATOM 0 H TYR A 61 -6.769 -13.868 2.893 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.454 -15.461 1.192 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -8.293 -14.933 4.171 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -9.301 -16.153 3.419 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -5.773 -15.105 3.977 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.392 -18.317 2.829 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.857 -16.681 3.997 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.418 -19.787 2.479 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.208 -20.026 2.749 1.00 0.00 H new ATOM 1017 N GLU A 62 -10.820 -14.452 1.634 1.00 0.00 N ATOM 1018 CA GLU A 62 -12.009 -13.660 1.348 1.00 0.00 C ATOM 1019 C GLU A 62 -12.719 -13.171 2.612 1.00 0.00 C ATOM 1020 O GLU A 62 -13.406 -12.152 2.560 1.00 0.00 O ATOM 1021 CB GLU A 62 -12.975 -14.420 0.446 1.00 0.00 C ATOM 1022 CG GLU A 62 -12.324 -14.837 -0.881 1.00 0.00 C ATOM 1023 CD GLU A 62 -13.331 -15.497 -1.820 1.00 0.00 C ATOM 1024 OE1 GLU A 62 -13.173 -16.669 -2.152 1.00 0.00 O ATOM 1025 OE2 GLU A 62 -14.363 -14.709 -2.238 1.00 0.00 O ATOM 0 H GLU A 62 -10.957 -15.460 1.563 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.663 -12.772 0.819 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.334 -15.307 0.967 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.845 -13.796 0.242 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.893 -13.961 -1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.504 -15.527 -0.683 1.00 0.00 H new ATOM 1033 N GLU A 63 -12.533 -13.849 3.751 1.00 0.00 N ATOM 1034 CA GLU A 63 -13.001 -13.355 5.032 1.00 0.00 C ATOM 1035 C GLU A 63 -12.248 -12.064 5.360 1.00 0.00 C ATOM 1036 O GLU A 63 -12.864 -11.039 5.650 1.00 0.00 O ATOM 1037 CB GLU A 63 -12.786 -14.429 6.103 1.00 0.00 C ATOM 1038 CG GLU A 63 -13.576 -15.706 5.797 1.00 0.00 C ATOM 1039 CD GLU A 63 -13.407 -16.738 6.908 1.00 0.00 C ATOM 1040 OE1 GLU A 63 -14.381 -17.074 7.578 1.00 0.00 O ATOM 1041 OE2 GLU A 63 -12.146 -17.229 7.079 1.00 0.00 O ATOM 0 H GLU A 63 -12.056 -14.749 3.801 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.068 -13.134 4.998 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.724 -14.666 6.171 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.089 -14.039 7.075 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.632 -15.464 5.679 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.238 -16.128 4.850 1.00 0.00 H new ATOM 1049 N ALA A 64 -10.915 -12.107 5.252 1.00 0.00 N ATOM 1050 CA ALA A 64 -10.047 -10.962 5.464 1.00 0.00 C ATOM 1051 C ALA A 64 -10.087 -9.973 4.298 1.00 0.00 C ATOM 1052 O ALA A 64 -9.554 -8.872 4.442 1.00 0.00 O ATOM 1053 CB ALA A 64 -8.620 -11.461 5.708 1.00 0.00 C ATOM 0 H ALA A 64 -10.408 -12.958 5.010 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.406 -10.417 6.337 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.959 -10.609 5.869 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.605 -12.103 6.589 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.279 -12.026 4.841 1.00 0.00 H new ATOM 1059 N LEU A 65 -10.713 -10.321 3.161 1.00 0.00 N ATOM 1060 CA LEU A 65 -10.811 -9.374 2.062 1.00 0.00 C ATOM 1061 C LEU A 65 -11.744 -8.244 2.464 1.00 0.00 C ATOM 1062 O LEU A 65 -11.304 -7.105 2.524 1.00 0.00 O ATOM 1063 CB LEU A 65 -11.243 -10.036 0.757 1.00 0.00 C ATOM 1064 CG LEU A 65 -11.319 -9.025 -0.393 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -10.042 -8.186 -0.541 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -11.589 -9.808 -1.674 1.00 0.00 C ATOM 0 H LEU A 65 -11.145 -11.229 2.990 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.820 -8.966 1.865 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.539 -10.828 0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.217 -10.507 0.893 1.00 0.00 H new ATOM 0 HG LEU A 65 -12.118 -8.315 -0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.158 -7.490 -1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.865 -7.628 0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.195 -8.844 -0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.650 -9.118 -2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.780 -10.518 -1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.531 -10.348 -1.579 1.00 0.00 H new ATOM 1078 N SER A 66 -13.009 -8.565 2.756 1.00 0.00 N ATOM 1079 CA SER A 66 -14.036 -7.607 3.151 1.00 0.00 C ATOM 1080 C SER A 66 -13.536 -6.593 4.183 1.00 0.00 C ATOM 1081 O SER A 66 -13.780 -5.399 4.032 1.00 0.00 O ATOM 1082 CB SER A 66 -15.257 -8.376 3.669 1.00 0.00 C ATOM 1083 OG SER A 66 -14.933 -9.132 4.818 1.00 0.00 O ATOM 0 H SER A 66 -13.351 -9.525 2.722 1.00 0.00 H new ATOM 0 HA SER A 66 -14.313 -7.021 2.275 1.00 0.00 H new ATOM 0 HB2 SER A 66 -16.058 -7.676 3.905 1.00 0.00 H new ATOM 0 HB3 SER A 66 -15.632 -9.038 2.888 1.00 0.00 H new ATOM 0 HG SER A 66 -14.214 -9.762 4.603 1.00 0.00 H new ATOM 1089 N LYS A 67 -12.813 -7.070 5.203 1.00 0.00 N ATOM 1090 CA LYS A 67 -12.187 -6.239 6.222 1.00 0.00 C ATOM 1091 C LYS A 67 -11.371 -5.095 5.606 1.00 0.00 C ATOM 1092 O LYS A 67 -11.569 -3.943 5.980 1.00 0.00 O ATOM 1093 CB LYS A 67 -11.321 -7.117 7.141 1.00 0.00 C ATOM 1094 CG LYS A 67 -12.066 -7.537 8.416 1.00 0.00 C ATOM 1095 CD LYS A 67 -13.269 -8.451 8.144 1.00 0.00 C ATOM 1096 CE LYS A 67 -14.024 -8.775 9.439 1.00 0.00 C ATOM 1097 NZ LYS A 67 -14.713 -7.599 9.938 1.00 0.00 N ATOM 0 H LYS A 67 -12.647 -8.067 5.340 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.972 -5.772 6.817 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.005 -8.007 6.597 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.417 -6.573 7.414 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.372 -8.050 9.082 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.408 -6.644 8.939 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.944 -7.967 7.438 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.928 -9.375 7.678 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.743 -9.574 9.257 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.325 -9.140 10.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.400 -7.882 10.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.022 -6.941 10.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.212 -7.130 9.155 1.00 0.00 H new ATOM 1110 N LEU A 68 -10.473 -5.414 4.665 1.00 0.00 N ATOM 1111 CA LEU A 68 -9.586 -4.473 3.988 1.00 0.00 C ATOM 1112 C LEU A 68 -10.346 -3.665 2.927 1.00 0.00 C ATOM 1113 O LEU A 68 -10.151 -2.457 2.804 1.00 0.00 O ATOM 1114 CB LEU A 68 -8.422 -5.292 3.414 1.00 0.00 C ATOM 1115 CG LEU A 68 -7.272 -4.548 2.719 1.00 0.00 C ATOM 1116 CD1 LEU A 68 -7.535 -4.264 1.239 1.00 0.00 C ATOM 1117 CD2 LEU A 68 -6.849 -3.264 3.432 1.00 0.00 C ATOM 0 H LEU A 68 -10.343 -6.374 4.345 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.192 -3.726 4.677 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.994 -5.875 4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.838 -6.001 2.698 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.439 -5.248 2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.682 -3.737 0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.682 -5.205 0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.429 -3.648 1.140 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.033 -2.795 2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.695 -2.579 3.480 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.517 -3.502 4.443 1.00 0.00 H new ATOM 1129 N LEU A 69 -11.213 -4.328 2.157 1.00 0.00 N ATOM 1130 CA LEU A 69 -11.995 -3.728 1.098 1.00 0.00 C ATOM 1131 C LEU A 69 -12.809 -2.551 1.638 1.00 0.00 C ATOM 1132 O LEU A 69 -12.670 -1.421 1.176 1.00 0.00 O ATOM 1133 CB LEU A 69 -12.896 -4.845 0.540 1.00 0.00 C ATOM 1134 CG LEU A 69 -13.589 -4.579 -0.802 1.00 0.00 C ATOM 1135 CD1 LEU A 69 -14.904 -3.807 -0.647 1.00 0.00 C ATOM 1136 CD2 LEU A 69 -12.676 -3.903 -1.832 1.00 0.00 C ATOM 0 H LEU A 69 -11.388 -5.327 2.265 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.364 -3.322 0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.292 -5.746 0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.666 -5.061 1.281 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.832 -5.567 -1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.350 -3.647 -1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -15.591 -4.380 -0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -14.707 -2.843 -0.177 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -13.228 -3.743 -2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.336 -2.944 -1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.814 -4.541 -2.028 1.00 0.00 H new ATOM 1148 N GLU A 70 -13.655 -2.834 2.635 1.00 0.00 N ATOM 1149 CA GLU A 70 -14.607 -1.895 3.203 1.00 0.00 C ATOM 1150 C GLU A 70 -13.904 -0.823 4.035 1.00 0.00 C ATOM 1151 O GLU A 70 -14.351 0.320 4.036 1.00 0.00 O ATOM 1152 CB GLU A 70 -15.644 -2.663 4.032 1.00 0.00 C ATOM 1153 CG GLU A 70 -16.482 -3.595 3.149 1.00 0.00 C ATOM 1154 CD GLU A 70 -17.519 -4.353 3.972 1.00 0.00 C ATOM 1155 OE1 GLU A 70 -18.714 -4.135 3.787 1.00 0.00 O ATOM 1156 OE2 GLU A 70 -17.030 -5.246 4.878 1.00 0.00 O ATOM 0 H GLU A 70 -13.691 -3.753 3.077 1.00 0.00 H new ATOM 0 HA GLU A 70 -15.119 -1.375 2.393 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.138 -3.245 4.802 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.298 -1.958 4.544 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -16.983 -3.013 2.375 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.828 -4.304 2.642 1.00 0.00 H new ATOM 1164 N ARG A 71 -12.794 -1.174 4.701 1.00 0.00 N ATOM 1165 CA ARG A 71 -11.834 -0.239 5.299 1.00 0.00 C ATOM 1166 C ARG A 71 -11.601 0.966 4.387 1.00 0.00 C ATOM 1167 O ARG A 71 -11.660 2.100 4.853 1.00 0.00 O ATOM 1168 CB ARG A 71 -10.546 -1.008 5.649 1.00 0.00 C ATOM 1169 CG ARG A 71 -9.186 -0.381 5.325 1.00 0.00 C ATOM 1170 CD ARG A 71 -8.756 0.728 6.288 1.00 0.00 C ATOM 1171 NE ARG A 71 -7.637 1.484 5.701 1.00 0.00 N ATOM 1172 CZ ARG A 71 -7.797 2.424 4.752 1.00 0.00 C ATOM 1173 NH1 ARG A 71 -9.003 2.925 4.493 1.00 0.00 N ATOM 1174 NH2 ARG A 71 -6.759 2.868 4.041 1.00 0.00 N ATOM 0 H ARG A 71 -12.533 -2.150 4.842 1.00 0.00 H new ATOM 0 HA ARG A 71 -12.232 0.176 6.225 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -10.566 -1.211 6.720 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.592 -1.971 5.141 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.428 -1.164 5.330 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.218 0.025 4.314 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.594 1.396 6.488 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.456 0.298 7.244 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.693 1.285 6.031 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.815 2.596 5.016 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.115 3.637 3.772 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.826 2.494 4.213 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.899 3.581 3.325 1.00 0.00 H new ATOM 1188 N ILE A 72 -11.350 0.722 3.096 1.00 0.00 N ATOM 1189 CA ILE A 72 -11.126 1.780 2.115 1.00 0.00 C ATOM 1190 C ILE A 72 -12.401 2.587 1.877 1.00 0.00 C ATOM 1191 O ILE A 72 -12.389 3.802 2.059 1.00 0.00 O ATOM 1192 CB ILE A 72 -10.508 1.237 0.818 1.00 0.00 C ATOM 1193 CG1 ILE A 72 -9.117 0.639 1.091 1.00 0.00 C ATOM 1194 CG2 ILE A 72 -10.374 2.369 -0.212 1.00 0.00 C ATOM 1195 CD1 ILE A 72 -8.780 -0.427 0.046 1.00 0.00 C ATOM 0 H ILE A 72 -11.297 -0.219 2.705 1.00 0.00 H new ATOM 0 HA ILE A 72 -10.390 2.471 2.527 1.00 0.00 H new ATOM 0 HB ILE A 72 -11.162 0.458 0.428 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.365 1.428 1.071 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -9.092 0.200 2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.935 1.976 -1.129 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -11.359 2.782 -0.429 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.733 3.153 0.190 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.793 -0.840 0.253 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.523 -1.224 0.086 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.784 0.023 -0.947 1.00 0.00 H new ATOM 1207 N LYS A 73 -13.487 1.943 1.442 1.00 0.00 N ATOM 1208 CA LYS A 73 -14.687 2.662 1.024 1.00 0.00 C ATOM 1209 C LYS A 73 -15.248 3.516 2.172 1.00 0.00 C ATOM 1210 O LYS A 73 -15.681 4.644 1.951 1.00 0.00 O ATOM 1211 CB LYS A 73 -15.735 1.675 0.484 1.00 0.00 C ATOM 1212 CG LYS A 73 -15.462 1.226 -0.966 1.00 0.00 C ATOM 1213 CD LYS A 73 -14.229 0.320 -1.106 1.00 0.00 C ATOM 1214 CE LYS A 73 -13.951 -0.132 -2.544 1.00 0.00 C ATOM 1215 NZ LYS A 73 -15.021 -0.968 -3.052 1.00 0.00 N ATOM 0 H LYS A 73 -13.557 0.928 1.371 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.421 3.346 0.218 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -15.763 0.797 1.129 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -16.720 2.139 0.534 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -16.336 0.697 -1.345 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.328 2.108 -1.592 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.356 0.850 -0.727 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.364 -0.561 -0.478 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.834 0.742 -3.185 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.010 -0.681 -2.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.665 -1.549 -3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.368 -1.588 -2.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.800 -0.368 -3.391 1.00 0.00 H new ATOM 1228 N GLN A 74 -15.209 2.979 3.398 1.00 0.00 N ATOM 1229 CA GLN A 74 -15.634 3.645 4.621 1.00 0.00 C ATOM 1230 C GLN A 74 -14.633 4.726 5.036 1.00 0.00 C ATOM 1231 O GLN A 74 -15.039 5.821 5.418 1.00 0.00 O ATOM 1232 CB GLN A 74 -15.807 2.587 5.723 1.00 0.00 C ATOM 1233 CG GLN A 74 -16.294 3.159 7.062 1.00 0.00 C ATOM 1234 CD GLN A 74 -17.581 3.972 6.945 1.00 0.00 C ATOM 1235 OE1 GLN A 74 -17.669 5.073 7.483 1.00 0.00 O ATOM 1236 NE2 GLN A 74 -18.585 3.439 6.246 1.00 0.00 N ATOM 0 H GLN A 74 -14.866 2.033 3.564 1.00 0.00 H new ATOM 0 HA GLN A 74 -16.587 4.147 4.452 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -16.516 1.833 5.381 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.855 2.081 5.880 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -16.454 2.339 7.762 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -15.512 3.790 7.484 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -18.475 2.522 5.813 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -19.463 3.949 6.144 1.00 0.00 H new ATOM 1245 N GLY A 75 -13.333 4.409 4.976 1.00 0.00 N ATOM 1246 CA GLY A 75 -12.237 5.304 5.319 1.00 0.00 C ATOM 1247 C GLY A 75 -11.486 5.727 4.054 1.00 0.00 C ATOM 1248 O GLY A 75 -10.445 5.143 3.757 1.00 0.00 O ATOM 0 H GLY A 75 -13.012 3.489 4.676 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.623 6.184 5.833 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.554 4.807 6.008 1.00 0.00 H new ATOM 1252 N PRO A 76 -11.985 6.717 3.291 1.00 0.00 N ATOM 1253 CA PRO A 76 -11.369 7.140 2.040 1.00 0.00 C ATOM 1254 C PRO A 76 -9.956 7.688 2.277 1.00 0.00 C ATOM 1255 O PRO A 76 -9.625 8.073 3.399 1.00 0.00 O ATOM 1256 CB PRO A 76 -12.307 8.206 1.459 1.00 0.00 C ATOM 1257 CG PRO A 76 -13.024 8.758 2.689 1.00 0.00 C ATOM 1258 CD PRO A 76 -13.157 7.525 3.578 1.00 0.00 C ATOM 0 HA PRO A 76 -11.246 6.308 1.347 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -11.754 8.985 0.934 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -13.009 7.777 0.744 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.449 9.547 3.174 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.996 9.182 2.436 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -13.195 7.802 4.632 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -14.074 6.979 3.358 1.00 0.00 H new ATOM 1266 N PRO A 77 -9.108 7.724 1.236 1.00 0.00 N ATOM 1267 CA PRO A 77 -7.738 8.203 1.339 1.00 0.00 C ATOM 1268 C PRO A 77 -7.707 9.676 1.741 1.00 0.00 C ATOM 1269 O PRO A 77 -8.659 10.414 1.486 1.00 0.00 O ATOM 1270 CB PRO A 77 -7.127 8.007 -0.050 1.00 0.00 C ATOM 1271 CG PRO A 77 -8.335 8.050 -0.978 1.00 0.00 C ATOM 1272 CD PRO A 77 -9.422 7.379 -0.142 1.00 0.00 C ATOM 0 HA PRO A 77 -7.180 7.661 2.103 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.410 8.793 -0.288 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.597 7.058 -0.125 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.603 9.072 -1.247 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -8.150 7.513 -1.909 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -10.412 7.738 -0.422 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.421 6.299 -0.288 1.00 0.00 H new ATOM 1280 N ALA A 78 -6.591 10.109 2.340 1.00 0.00 N ATOM 1281 CA ALA A 78 -6.396 11.484 2.783 1.00 0.00 C ATOM 1282 C ALA A 78 -5.989 12.393 1.614 1.00 0.00 C ATOM 1283 O ALA A 78 -5.104 13.232 1.761 1.00 0.00 O ATOM 1284 CB ALA A 78 -5.357 11.492 3.910 1.00 0.00 C ATOM 0 H ALA A 78 -5.793 9.503 2.530 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.334 11.885 3.166 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.200 12.515 4.253 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -5.715 10.882 4.740 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.416 11.085 3.540 1.00 0.00 H new ATOM 1290 N ALA A 79 -6.639 12.226 0.455 1.00 0.00 N ATOM 1291 CA ALA A 79 -6.395 12.968 -0.768 1.00 0.00 C ATOM 1292 C ALA A 79 -7.674 13.004 -1.602 1.00 0.00 C ATOM 1293 O ALA A 79 -8.612 12.246 -1.350 1.00 0.00 O ATOM 1294 CB ALA A 79 -5.288 12.288 -1.566 1.00 0.00 C ATOM 0 H ALA A 79 -7.382 11.535 0.350 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.091 13.985 -0.521 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.106 12.846 -2.484 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.375 12.260 -0.971 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.591 11.271 -1.814 1.00 0.00 H new ATOM 1300 N GLU A 80 -7.686 13.861 -2.629 1.00 0.00 N ATOM 1301 CA GLU A 80 -8.758 13.929 -3.610 1.00 0.00 C ATOM 1302 C GLU A 80 -8.593 12.782 -4.609 1.00 0.00 C ATOM 1303 O GLU A 80 -8.061 12.967 -5.704 1.00 0.00 O ATOM 1304 CB GLU A 80 -8.777 15.300 -4.306 1.00 0.00 C ATOM 1305 CG GLU A 80 -9.308 16.422 -3.402 1.00 0.00 C ATOM 1306 CD GLU A 80 -8.444 16.660 -2.167 1.00 0.00 C ATOM 1307 OE1 GLU A 80 -7.270 16.992 -2.307 1.00 0.00 O ATOM 1308 OE2 GLU A 80 -9.054 16.463 -0.963 1.00 0.00 O ATOM 0 H GLU A 80 -6.938 14.533 -2.798 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.721 13.819 -3.111 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.767 15.550 -4.632 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.395 15.239 -5.202 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.369 17.345 -3.978 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.322 16.176 -3.086 1.00 0.00 H new ATOM 1316 N VAL A 81 -9.072 11.597 -4.217 1.00 0.00 N ATOM 1317 CA VAL A 81 -9.195 10.436 -5.085 1.00 0.00 C ATOM 1318 C VAL A 81 -10.171 10.750 -6.218 1.00 0.00 C ATOM 1319 O VAL A 81 -11.279 11.231 -5.985 1.00 0.00 O ATOM 1320 CB VAL A 81 -9.589 9.208 -4.251 1.00 0.00 C ATOM 1321 CG1 VAL A 81 -10.961 9.317 -3.569 1.00 0.00 C ATOM 1322 CG2 VAL A 81 -9.530 7.927 -5.090 1.00 0.00 C ATOM 0 H VAL A 81 -9.391 11.421 -3.264 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.241 10.196 -5.554 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.849 9.165 -3.452 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.159 8.407 -3.002 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.965 10.173 -2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -11.734 9.448 -4.326 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.814 7.075 -4.473 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.218 8.011 -5.931 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.516 7.783 -5.463 1.00 0.00 H new ATOM 1332 N GLU A 82 -9.716 10.517 -7.452 1.00 0.00 N ATOM 1333 CA GLU A 82 -10.431 10.850 -8.668 1.00 0.00 C ATOM 1334 C GLU A 82 -11.307 9.672 -9.083 1.00 0.00 C ATOM 1335 O GLU A 82 -12.498 9.857 -9.326 1.00 0.00 O ATOM 1336 CB GLU A 82 -9.410 11.231 -9.749 1.00 0.00 C ATOM 1337 CG GLU A 82 -10.065 11.690 -11.059 1.00 0.00 C ATOM 1338 CD GLU A 82 -10.927 12.937 -10.871 1.00 0.00 C ATOM 1339 OE1 GLU A 82 -12.140 12.866 -11.058 1.00 0.00 O ATOM 1340 OE2 GLU A 82 -10.266 14.069 -10.496 1.00 0.00 O ATOM 0 H GLU A 82 -8.812 10.078 -7.628 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.092 11.703 -8.513 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.770 12.028 -9.371 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.767 10.374 -9.952 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.290 11.895 -11.798 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.680 10.883 -11.457 1.00 0.00 H new ATOM 1348 N LYS A 83 -10.719 8.470 -9.178 1.00 0.00 N ATOM 1349 CA LYS A 83 -11.426 7.305 -9.700 1.00 0.00 C ATOM 1350 C LYS A 83 -10.725 5.998 -9.337 1.00 0.00 C ATOM 1351 O LYS A 83 -10.130 5.343 -10.187 1.00 0.00 O ATOM 1352 CB LYS A 83 -11.656 7.441 -11.213 1.00 0.00 C ATOM 1353 CG LYS A 83 -10.377 7.739 -12.012 1.00 0.00 C ATOM 1354 CD LYS A 83 -10.694 7.979 -13.489 1.00 0.00 C ATOM 1355 CE LYS A 83 -9.397 8.282 -14.245 1.00 0.00 C ATOM 1356 NZ LYS A 83 -9.681 8.530 -15.645 1.00 0.00 N ATOM 0 H LYS A 83 -9.756 8.286 -8.899 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.404 7.267 -9.220 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.100 6.519 -11.588 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.378 8.238 -11.391 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.881 8.616 -11.596 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.682 6.904 -11.917 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.180 7.101 -13.915 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.391 8.811 -13.592 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.906 9.151 -13.806 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.707 7.444 -14.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -8.794 8.734 -16.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.130 7.690 -16.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.323 9.344 -15.730 1.00 0.00 H new ATOM 1369 N VAL A 84 -10.843 5.591 -8.073 1.00 0.00 N ATOM 1370 CA VAL A 84 -10.306 4.320 -7.600 1.00 0.00 C ATOM 1371 C VAL A 84 -11.115 3.149 -8.175 1.00 0.00 C ATOM 1372 O VAL A 84 -12.080 2.677 -7.578 1.00 0.00 O ATOM 1373 CB VAL A 84 -10.154 4.306 -6.067 1.00 0.00 C ATOM 1374 CG1 VAL A 84 -11.434 4.589 -5.268 1.00 0.00 C ATOM 1375 CG2 VAL A 84 -9.525 2.981 -5.620 1.00 0.00 C ATOM 0 H VAL A 84 -11.314 6.135 -7.350 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.291 4.193 -7.977 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.499 5.147 -5.837 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -11.212 4.554 -4.201 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.814 5.577 -5.528 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.186 3.837 -5.507 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.420 2.976 -4.535 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.164 2.153 -5.926 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.543 2.871 -6.080 1.00 0.00 H new ATOM 1385 N ASP A 85 -10.705 2.693 -9.362 1.00 0.00 N ATOM 1386 CA ASP A 85 -11.376 1.658 -10.128 1.00 0.00 C ATOM 1387 C ASP A 85 -10.685 0.333 -9.826 1.00 0.00 C ATOM 1388 O ASP A 85 -9.832 -0.110 -10.595 1.00 0.00 O ATOM 1389 CB ASP A 85 -11.307 2.030 -11.616 1.00 0.00 C ATOM 1390 CG ASP A 85 -11.962 0.976 -12.505 1.00 0.00 C ATOM 1391 OD1 ASP A 85 -11.302 0.434 -13.389 1.00 0.00 O ATOM 1392 OD2 ASP A 85 -13.273 0.707 -12.246 1.00 0.00 O ATOM 0 H ASP A 85 -9.869 3.051 -9.825 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.429 1.564 -9.861 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.798 2.990 -11.772 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.265 2.154 -11.910 1.00 0.00 H new ATOM 1398 N TYR A 86 -11.023 -0.282 -8.685 1.00 0.00 N ATOM 1399 CA TYR A 86 -10.328 -1.485 -8.250 1.00 0.00 C ATOM 1400 C TYR A 86 -10.706 -2.689 -9.111 1.00 0.00 C ATOM 1401 O TYR A 86 -11.728 -2.683 -9.796 1.00 0.00 O ATOM 1402 CB TYR A 86 -10.553 -1.767 -6.754 1.00 0.00 C ATOM 1403 CG TYR A 86 -11.766 -2.623 -6.422 1.00 0.00 C ATOM 1404 CD1 TYR A 86 -13.055 -2.058 -6.423 1.00 0.00 C ATOM 1405 CD2 TYR A 86 -11.609 -4.001 -6.168 1.00 0.00 C ATOM 1406 CE1 TYR A 86 -14.174 -2.855 -6.127 1.00 0.00 C ATOM 1407 CE2 TYR A 86 -12.729 -4.799 -5.882 1.00 0.00 C ATOM 1408 CZ TYR A 86 -14.011 -4.225 -5.854 1.00 0.00 C ATOM 1409 OH TYR A 86 -15.100 -4.995 -5.565 1.00 0.00 O ATOM 0 H TYR A 86 -11.764 0.034 -8.059 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.261 -1.307 -8.384 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.664 -2.258 -6.358 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.650 -0.814 -6.233 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -13.184 -1.010 -6.652 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -10.625 -4.444 -6.193 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -15.160 -2.415 -6.109 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -12.605 -5.853 -5.684 1.00 0.00 H new ATOM 0 HH TYR A 86 -14.814 -5.918 -5.402 1.00 0.00 H new ATOM 1419 N SER A 87 -9.875 -3.734 -9.043 1.00 0.00 N ATOM 1420 CA SER A 87 -10.098 -4.996 -9.720 1.00 0.00 C ATOM 1421 C SER A 87 -9.671 -6.140 -8.807 1.00 0.00 C ATOM 1422 O SER A 87 -8.608 -6.089 -8.193 1.00 0.00 O ATOM 1423 CB SER A 87 -9.314 -5.023 -11.036 1.00 0.00 C ATOM 1424 OG SER A 87 -9.680 -3.932 -11.855 1.00 0.00 O ATOM 0 H SER A 87 -9.011 -3.716 -8.501 1.00 0.00 H new ATOM 0 HA SER A 87 -11.157 -5.111 -9.952 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.244 -4.987 -10.829 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.506 -5.959 -11.561 1.00 0.00 H new ATOM 0 HG SER A 87 -9.169 -3.964 -12.690 1.00 0.00 H new ATOM 1430 N PHE A 88 -10.509 -7.176 -8.725 1.00 0.00 N ATOM 1431 CA PHE A 88 -10.194 -8.440 -8.078 1.00 0.00 C ATOM 1432 C PHE A 88 -9.500 -9.339 -9.108 1.00 0.00 C ATOM 1433 O PHE A 88 -9.902 -9.363 -10.271 1.00 0.00 O ATOM 1434 CB PHE A 88 -11.497 -9.049 -7.532 1.00 0.00 C ATOM 1435 CG PHE A 88 -11.572 -10.563 -7.582 1.00 0.00 C ATOM 1436 CD1 PHE A 88 -10.768 -11.334 -6.723 1.00 0.00 C ATOM 1437 CD2 PHE A 88 -12.358 -11.200 -8.561 1.00 0.00 C ATOM 1438 CE1 PHE A 88 -10.773 -12.736 -6.828 1.00 0.00 C ATOM 1439 CE2 PHE A 88 -12.366 -12.602 -8.659 1.00 0.00 C ATOM 1440 CZ PHE A 88 -11.575 -13.371 -7.789 1.00 0.00 C ATOM 0 H PHE A 88 -11.449 -7.152 -9.119 1.00 0.00 H new ATOM 0 HA PHE A 88 -9.517 -8.315 -7.233 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.624 -8.729 -6.498 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -12.335 -8.641 -8.097 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -10.148 -10.849 -5.984 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.957 -10.610 -9.239 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.157 -13.327 -6.166 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.980 -13.088 -9.403 1.00 0.00 H new ATOM 0 HZ PHE A 88 -11.584 -14.449 -7.860 1.00 0.00 H new ATOM 1450 N SER A 89 -8.448 -10.053 -8.685 1.00 0.00 N ATOM 1451 CA SER A 89 -7.616 -10.882 -9.549 1.00 0.00 C ATOM 1452 C SER A 89 -7.275 -12.223 -8.891 1.00 0.00 C ATOM 1453 O SER A 89 -7.648 -12.485 -7.747 1.00 0.00 O ATOM 1454 CB SER A 89 -6.341 -10.119 -9.921 1.00 0.00 C ATOM 1455 OG SER A 89 -6.624 -8.791 -10.312 1.00 0.00 O ATOM 0 H SER A 89 -8.150 -10.066 -7.710 1.00 0.00 H new ATOM 0 HA SER A 89 -8.179 -11.105 -10.455 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.660 -10.111 -9.070 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.830 -10.637 -10.733 1.00 0.00 H new ATOM 0 HG SER A 89 -5.789 -8.332 -10.541 1.00 0.00 H new ATOM 1461 N GLU A 90 -6.550 -13.071 -9.630 1.00 0.00 N ATOM 1462 CA GLU A 90 -6.209 -14.433 -9.233 1.00 0.00 C ATOM 1463 C GLU A 90 -4.994 -14.447 -8.308 1.00 0.00 C ATOM 1464 O GLU A 90 -4.128 -13.579 -8.409 1.00 0.00 O ATOM 1465 CB GLU A 90 -5.986 -15.309 -10.482 1.00 0.00 C ATOM 1466 CG GLU A 90 -4.544 -15.345 -11.024 1.00 0.00 C ATOM 1467 CD GLU A 90 -3.974 -13.983 -11.422 1.00 0.00 C ATOM 1468 OE1 GLU A 90 -4.723 -13.077 -11.781 1.00 0.00 O ATOM 1469 OE2 GLU A 90 -2.618 -13.866 -11.334 1.00 0.00 O ATOM 0 H GLU A 90 -6.176 -12.817 -10.545 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.043 -14.853 -8.671 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.292 -16.329 -10.247 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.644 -14.953 -11.275 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.897 -15.786 -10.266 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.513 -16.004 -11.892 1.00 0.00 H new ATOM 1477 N TYR A 91 -4.906 -15.458 -7.439 1.00 0.00 N ATOM 1478 CA TYR A 91 -3.769 -15.622 -6.545 1.00 0.00 C ATOM 1479 C TYR A 91 -2.501 -15.928 -7.349 1.00 0.00 C ATOM 1480 O TYR A 91 -2.408 -16.954 -8.021 1.00 0.00 O ATOM 1481 CB TYR A 91 -4.073 -16.673 -5.460 1.00 0.00 C ATOM 1482 CG TYR A 91 -3.046 -17.776 -5.283 1.00 0.00 C ATOM 1483 CD1 TYR A 91 -1.831 -17.501 -4.630 1.00 0.00 C ATOM 1484 CD2 TYR A 91 -3.229 -19.014 -5.929 1.00 0.00 C ATOM 1485 CE1 TYR A 91 -0.790 -18.444 -4.655 1.00 0.00 C ATOM 1486 CE2 TYR A 91 -2.190 -19.959 -5.948 1.00 0.00 C ATOM 1487 CZ TYR A 91 -0.968 -19.673 -5.312 1.00 0.00 C ATOM 1488 OH TYR A 91 0.046 -20.586 -5.330 1.00 0.00 O ATOM 0 H TYR A 91 -5.620 -16.180 -7.340 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.586 -14.687 -6.016 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -4.188 -16.157 -4.507 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -5.033 -17.134 -5.690 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -1.698 -16.564 -4.109 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.170 -19.237 -6.411 1.00 0.00 H new ATOM 0 HE1 TYR A 91 0.149 -18.224 -4.168 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -2.329 -20.905 -6.451 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.240 -21.383 -5.824 1.00 0.00 H new ATOM 1498 N LYS A 92 -1.524 -15.024 -7.252 1.00 0.00 N ATOM 1499 CA LYS A 92 -0.161 -15.219 -7.713 1.00 0.00 C ATOM 1500 C LYS A 92 0.708 -15.595 -6.514 1.00 0.00 C ATOM 1501 O LYS A 92 1.360 -16.637 -6.514 1.00 0.00 O ATOM 1502 CB LYS A 92 0.313 -13.933 -8.387 1.00 0.00 C ATOM 1503 CG LYS A 92 1.791 -14.019 -8.760 1.00 0.00 C ATOM 1504 CD LYS A 92 2.088 -13.127 -9.968 1.00 0.00 C ATOM 1505 CE LYS A 92 1.624 -11.680 -9.752 1.00 0.00 C ATOM 1506 NZ LYS A 92 2.113 -10.835 -10.824 1.00 0.00 N ATOM 0 H LYS A 92 -1.673 -14.105 -6.834 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.095 -16.026 -8.443 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.281 -13.748 -9.282 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.152 -13.088 -7.718 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.405 -13.712 -7.913 1.00 0.00 H new ATOM 0 HG3 LYS A 92 2.056 -15.051 -8.988 1.00 0.00 H new ATOM 0 HD2 LYS A 92 3.159 -13.136 -10.169 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.595 -13.537 -10.849 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.535 -11.641 -9.715 1.00 0.00 H new ATOM 0 HE3 LYS A 92 1.989 -11.312 -8.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.794 -9.858 -10.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 3.153 -10.861 -10.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.744 -11.179 -11.733 1.00 0.00 H new ATOM 1519 N GLY A 93 0.691 -14.739 -5.484 1.00 0.00 N ATOM 1520 CA GLY A 93 1.345 -14.989 -4.211 1.00 0.00 C ATOM 1521 C GLY A 93 2.860 -14.821 -4.269 1.00 0.00 C ATOM 1522 O GLY A 93 3.583 -15.587 -3.634 1.00 0.00 O ATOM 0 H GLY A 93 0.211 -13.840 -5.522 1.00 0.00 H new ATOM 0 HA2 GLY A 93 0.939 -14.309 -3.462 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.111 -16.002 -3.882 1.00 0.00 H new ATOM 1526 N GLU A 94 3.340 -13.816 -5.011 1.00 0.00 N ATOM 1527 CA GLU A 94 4.764 -13.553 -5.168 1.00 0.00 C ATOM 1528 C GLU A 94 5.336 -12.694 -4.037 1.00 0.00 C ATOM 1529 O GLU A 94 6.518 -12.827 -3.725 1.00 0.00 O ATOM 1530 CB GLU A 94 5.055 -12.950 -6.548 1.00 0.00 C ATOM 1531 CG GLU A 94 4.438 -11.559 -6.756 1.00 0.00 C ATOM 1532 CD GLU A 94 4.687 -11.019 -8.164 1.00 0.00 C ATOM 1533 OE1 GLU A 94 5.250 -11.720 -9.003 1.00 0.00 O ATOM 1534 OE2 GLU A 94 4.239 -9.755 -8.401 1.00 0.00 O ATOM 0 H GLU A 94 2.744 -13.163 -5.519 1.00 0.00 H new ATOM 0 HA GLU A 94 5.278 -14.512 -5.102 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.134 -12.883 -6.685 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.677 -13.624 -7.316 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.365 -11.609 -6.573 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.854 -10.866 -6.025 1.00 0.00 H new ATOM 1542 N PHE A 95 4.539 -11.797 -3.438 1.00 0.00 N ATOM 1543 CA PHE A 95 5.060 -10.813 -2.511 1.00 0.00 C ATOM 1544 C PHE A 95 5.229 -11.420 -1.125 1.00 0.00 C ATOM 1545 O PHE A 95 4.309 -12.049 -0.608 1.00 0.00 O ATOM 1546 CB PHE A 95 4.135 -9.597 -2.462 1.00 0.00 C ATOM 1547 CG PHE A 95 4.180 -8.752 -3.717 1.00 0.00 C ATOM 1548 CD1 PHE A 95 5.275 -7.895 -3.933 1.00 0.00 C ATOM 1549 CD2 PHE A 95 3.184 -8.879 -4.704 1.00 0.00 C ATOM 1550 CE1 PHE A 95 5.381 -7.174 -5.135 1.00 0.00 C ATOM 1551 CE2 PHE A 95 3.294 -8.160 -5.907 1.00 0.00 C ATOM 1552 CZ PHE A 95 4.392 -7.309 -6.123 1.00 0.00 C ATOM 0 H PHE A 95 3.531 -11.742 -3.587 1.00 0.00 H new ATOM 0 HA PHE A 95 6.041 -10.489 -2.859 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.112 -9.935 -2.298 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.407 -8.978 -1.607 1.00 0.00 H new ATOM 0 HD1 PHE A 95 6.036 -7.791 -3.173 1.00 0.00 H new ATOM 0 HD2 PHE A 95 2.337 -9.528 -4.537 1.00 0.00 H new ATOM 0 HE1 PHE A 95 6.222 -6.517 -5.299 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.533 -8.262 -6.667 1.00 0.00 H new ATOM 0 HZ PHE A 95 4.475 -6.759 -7.049 1.00 0.00 H new ATOM 1562 N GLU A 96 6.406 -11.188 -0.536 1.00 0.00 N ATOM 1563 CA GLU A 96 6.725 -11.421 0.854 1.00 0.00 C ATOM 1564 C GLU A 96 6.508 -10.104 1.602 1.00 0.00 C ATOM 1565 O GLU A 96 7.114 -9.096 1.242 1.00 0.00 O ATOM 1566 CB GLU A 96 8.147 -11.988 0.993 1.00 0.00 C ATOM 1567 CG GLU A 96 9.258 -11.120 0.378 1.00 0.00 C ATOM 1568 CD GLU A 96 10.607 -11.830 0.428 1.00 0.00 C ATOM 1569 OE1 GLU A 96 11.121 -12.228 -0.616 1.00 0.00 O ATOM 1570 OE2 GLU A 96 11.163 -11.972 1.665 1.00 0.00 O ATOM 0 H GLU A 96 7.199 -10.811 -1.056 1.00 0.00 H new ATOM 0 HA GLU A 96 6.075 -12.176 1.296 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.363 -12.131 2.052 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.176 -12.973 0.526 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.007 -10.883 -0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.322 -10.174 0.915 1.00 0.00 H new ATOM 1578 N ASP A 97 5.595 -10.098 2.586 1.00 0.00 N ATOM 1579 CA ASP A 97 5.102 -8.895 3.255 1.00 0.00 C ATOM 1580 C ASP A 97 4.336 -7.984 2.279 1.00 0.00 C ATOM 1581 O ASP A 97 4.305 -8.232 1.075 1.00 0.00 O ATOM 1582 CB ASP A 97 6.245 -8.172 4.001 1.00 0.00 C ATOM 1583 CG ASP A 97 5.759 -7.006 4.860 1.00 0.00 C ATOM 1584 OD1 ASP A 97 4.818 -7.176 5.633 1.00 0.00 O ATOM 1585 OD2 ASP A 97 6.384 -5.812 4.663 1.00 0.00 O ATOM 0 H ASP A 97 5.172 -10.954 2.944 1.00 0.00 H new ATOM 0 HA ASP A 97 4.379 -9.191 4.015 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.767 -8.889 4.635 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.968 -7.803 3.274 1.00 0.00 H new ATOM 1591 N PHE A 98 3.686 -6.945 2.817 1.00 0.00 N ATOM 1592 CA PHE A 98 2.953 -5.933 2.074 1.00 0.00 C ATOM 1593 C PHE A 98 3.650 -4.590 2.275 1.00 0.00 C ATOM 1594 O PHE A 98 3.304 -3.848 3.193 1.00 0.00 O ATOM 1595 CB PHE A 98 1.507 -5.935 2.576 1.00 0.00 C ATOM 1596 CG PHE A 98 0.488 -5.082 1.850 1.00 0.00 C ATOM 1597 CD1 PHE A 98 0.825 -4.255 0.761 1.00 0.00 C ATOM 1598 CD2 PHE A 98 -0.854 -5.191 2.248 1.00 0.00 C ATOM 1599 CE1 PHE A 98 -0.183 -3.584 0.051 1.00 0.00 C ATOM 1600 CE2 PHE A 98 -1.860 -4.507 1.549 1.00 0.00 C ATOM 1601 CZ PHE A 98 -1.527 -3.729 0.432 1.00 0.00 C ATOM 0 H PHE A 98 3.660 -6.787 3.824 1.00 0.00 H new ATOM 0 HA PHE A 98 2.935 -6.134 1.003 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.151 -6.965 2.557 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.518 -5.621 3.620 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.859 -4.137 0.472 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.114 -5.805 3.098 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.075 -2.956 -0.789 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.888 -4.580 1.871 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.305 -3.240 -0.136 1.00 0.00 H new ATOM 1611 N GLU A 99 4.645 -4.289 1.425 1.00 0.00 N ATOM 1612 CA GLU A 99 5.523 -3.141 1.619 1.00 0.00 C ATOM 1613 C GLU A 99 5.186 -2.018 0.639 1.00 0.00 C ATOM 1614 O GLU A 99 4.656 -2.256 -0.443 1.00 0.00 O ATOM 1615 CB GLU A 99 6.988 -3.572 1.509 1.00 0.00 C ATOM 1616 CG GLU A 99 7.933 -2.435 1.923 1.00 0.00 C ATOM 1617 CD GLU A 99 9.385 -2.900 1.944 1.00 0.00 C ATOM 1618 OE1 GLU A 99 9.941 -3.098 3.022 1.00 0.00 O ATOM 1619 OE2 GLU A 99 9.973 -3.065 0.726 1.00 0.00 O ATOM 0 H GLU A 99 4.857 -4.836 0.590 1.00 0.00 H new ATOM 0 HA GLU A 99 5.364 -2.745 2.622 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.162 -4.442 2.142 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.205 -3.874 0.484 1.00 0.00 H new ATOM 0 HG2 GLU A 99 7.826 -1.600 1.230 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.652 -2.068 2.910 1.00 0.00 H new ATOM 1627 N THR A 100 5.483 -0.785 1.055 1.00 0.00 N ATOM 1628 CA THR A 100 5.029 0.429 0.402 1.00 0.00 C ATOM 1629 C THR A 100 6.205 1.121 -0.292 1.00 0.00 C ATOM 1630 O THR A 100 7.263 1.299 0.311 1.00 0.00 O ATOM 1631 CB THR A 100 4.275 1.321 1.414 1.00 0.00 C ATOM 1632 OG1 THR A 100 4.986 2.496 1.744 1.00 0.00 O ATOM 1633 CG2 THR A 100 3.907 0.596 2.719 1.00 0.00 C ATOM 0 H THR A 100 6.061 -0.607 1.876 1.00 0.00 H new ATOM 0 HA THR A 100 4.312 0.196 -0.385 1.00 0.00 H new ATOM 0 HB THR A 100 3.356 1.586 0.891 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.466 3.024 2.385 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.380 1.283 3.381 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.264 -0.255 2.494 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.815 0.245 3.209 1.00 0.00 H new ATOM 1641 N TYR A 101 6.021 1.477 -1.569 1.00 0.00 N ATOM 1642 CA TYR A 101 7.012 2.117 -2.422 1.00 0.00 C ATOM 1643 C TYR A 101 6.470 3.491 -2.818 1.00 0.00 C ATOM 1644 O TYR A 101 5.248 3.577 -3.080 1.00 0.00 O ATOM 1645 CB TYR A 101 7.279 1.164 -3.599 1.00 0.00 C ATOM 1646 CG TYR A 101 8.061 1.673 -4.800 1.00 0.00 C ATOM 1647 CD1 TYR A 101 7.535 2.683 -5.633 1.00 0.00 C ATOM 1648 CD2 TYR A 101 9.181 0.941 -5.242 1.00 0.00 C ATOM 1649 CE1 TYR A 101 8.208 3.053 -6.811 1.00 0.00 C ATOM 1650 CE2 TYR A 101 9.848 1.302 -6.425 1.00 0.00 C ATOM 1651 CZ TYR A 101 9.360 2.359 -7.211 1.00 0.00 C ATOM 1652 OH TYR A 101 9.988 2.696 -8.375 1.00 0.00 O ATOM 1653 OXT TYR A 101 7.274 4.446 -2.832 1.00 0.00 O ATOM 0 H TYR A 101 5.136 1.317 -2.051 1.00 0.00 H new ATOM 0 HA TYR A 101 7.970 2.296 -1.934 1.00 0.00 H new ATOM 0 HB2 TYR A 101 7.809 0.296 -3.206 1.00 0.00 H new ATOM 0 HB3 TYR A 101 6.314 0.811 -3.961 1.00 0.00 H new ATOM 0 HD1 TYR A 101 6.611 3.174 -5.365 1.00 0.00 H new ATOM 0 HD2 TYR A 101 9.530 0.096 -4.667 1.00 0.00 H new ATOM 0 HE1 TYR A 101 7.838 3.873 -7.409 1.00 0.00 H new ATOM 0 HE2 TYR A 101 10.735 0.767 -6.730 1.00 0.00 H new ATOM 0 HH TYR A 101 10.770 2.119 -8.504 1.00 0.00 H new