USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 630 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 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot -144:sc= 0.583 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 28 CYS SG : rot 123:sc= -1.27 USER MOD Single : A 32 SER OG : rot -130:sc= -0.467 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -4.1! C(o=-4.1!,f=-6.4!) USER MOD Single : A 52 LYS NZ :NH3+ -162:sc= -0.0301 (180deg=-0.25) USER MOD Single : A 53 HIS : no HD1:sc= -0.319 X(o=-0.32,f=0.073) USER MOD Single : A 56 ASN : amide:sc= -1.24 K(o=-1.2,f=-1.9) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc=0.000428 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 178:sc= 1.4 (180deg=1.37) USER MOD Single : A 74 THR OG1 : rot -6:sc= -0.249 USER MOD Single : A 75 ASN : amide:sc= -0.156 K(o=-0.16,f=-1.6!) USER MOD Single : A 78 SER OG : rot 85:sc= -0.366 USER MOD Single : A 82 TYR OH : rot 67:sc= 0.331 USER MOD Single : A 84 HIS :FLIP no HE2:sc= 0.103 F(o=-0.48,f=0.1) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -4.01! C(o=-4!,f=-5.3!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.238 X(o=-0.24,f=0) USER MOD Single : A 96 GLN : amide:sc=-0.00461 K(o=-0.0046,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 269 N ASP A 21 -4.512 4.017 -8.299 1.00 0.00 N ATOM 270 CA ASP A 21 -5.704 3.296 -7.866 1.00 0.00 C ATOM 271 C ASP A 21 -5.340 2.188 -6.882 1.00 0.00 C ATOM 272 O ASP A 21 -4.648 1.233 -7.234 1.00 0.00 O ATOM 273 CB ASP A 21 -6.435 2.705 -9.072 1.00 0.00 C ATOM 274 CG ASP A 21 -7.010 3.772 -9.981 1.00 0.00 C ATOM 275 OD1 ASP A 21 -7.479 4.806 -9.460 1.00 0.00 O ATOM 276 OD2 ASP A 21 -6.991 3.575 -11.214 1.00 0.00 O ATOM 0 HA ASP A 21 -6.364 4.003 -7.363 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.746 2.081 -9.640 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.239 2.057 -8.724 1.00 0.00 H new ATOM 281 N TYR A 22 -5.811 2.323 -5.647 1.00 0.00 N ATOM 282 CA TYR A 22 -5.534 1.336 -4.611 1.00 0.00 C ATOM 283 C TYR A 22 -5.780 -0.079 -5.126 1.00 0.00 C ATOM 284 O TYR A 22 -5.168 -1.038 -4.657 1.00 0.00 O ATOM 285 CB TYR A 22 -6.401 1.600 -3.379 1.00 0.00 C ATOM 286 CG TYR A 22 -5.839 2.659 -2.458 1.00 0.00 C ATOM 287 CD1 TYR A 22 -5.228 3.798 -2.968 1.00 0.00 C ATOM 288 CD2 TYR A 22 -5.919 2.521 -1.078 1.00 0.00 C ATOM 289 CE1 TYR A 22 -4.712 4.768 -2.130 1.00 0.00 C ATOM 290 CE2 TYR A 22 -5.407 3.486 -0.232 1.00 0.00 C ATOM 291 CZ TYR A 22 -4.804 4.607 -0.763 1.00 0.00 C ATOM 292 OH TYR A 22 -4.292 5.571 0.075 1.00 0.00 O ATOM 0 H TYR A 22 -6.387 3.107 -5.339 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.484 1.425 -4.333 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -7.396 1.904 -3.704 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.518 0.671 -2.822 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.155 3.927 -4.038 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.390 1.644 -0.659 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -4.239 5.647 -2.543 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.479 3.363 0.839 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.439 5.306 1.007 1.00 0.00 H new ATOM 302 N TYR A 23 -6.680 -0.200 -6.095 1.00 0.00 N ATOM 303 CA TYR A 23 -7.010 -1.496 -6.675 1.00 0.00 C ATOM 304 C TYR A 23 -5.951 -1.928 -7.684 1.00 0.00 C ATOM 305 O TYR A 23 -5.665 -3.116 -7.833 1.00 0.00 O ATOM 306 CB TYR A 23 -8.382 -1.442 -7.350 1.00 0.00 C ATOM 307 CG TYR A 23 -9.538 -1.570 -6.384 1.00 0.00 C ATOM 308 CD1 TYR A 23 -9.874 -2.799 -5.830 1.00 0.00 C ATOM 309 CD2 TYR A 23 -10.295 -0.461 -6.025 1.00 0.00 C ATOM 310 CE1 TYR A 23 -10.929 -2.921 -4.947 1.00 0.00 C ATOM 311 CE2 TYR A 23 -11.351 -0.573 -5.142 1.00 0.00 C ATOM 312 CZ TYR A 23 -11.665 -1.805 -4.606 1.00 0.00 C ATOM 313 OH TYR A 23 -12.717 -1.920 -3.727 1.00 0.00 O ATOM 0 H TYR A 23 -7.194 0.584 -6.496 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.037 -2.229 -5.869 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.474 -0.500 -7.891 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.446 -2.242 -8.088 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.300 -3.675 -6.095 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -10.053 0.505 -6.444 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.176 -3.884 -4.526 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -11.928 0.299 -4.872 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.437 -1.313 -3.998 1.00 0.00 H new ATOM 323 N THR A 24 -5.370 -0.952 -8.376 1.00 0.00 N ATOM 324 CA THR A 24 -4.342 -1.228 -9.372 1.00 0.00 C ATOM 325 C THR A 24 -3.038 -1.660 -8.711 1.00 0.00 C ATOM 326 O THR A 24 -2.354 -2.563 -9.195 1.00 0.00 O ATOM 327 CB THR A 24 -4.072 0.003 -10.257 1.00 0.00 C ATOM 328 OG1 THR A 24 -5.184 0.232 -11.130 1.00 0.00 O ATOM 329 CG2 THR A 24 -2.807 -0.189 -11.079 1.00 0.00 C ATOM 0 H THR A 24 -5.594 0.037 -8.265 1.00 0.00 H new ATOM 0 HA THR A 24 -4.717 -2.040 -9.996 1.00 0.00 H new ATOM 0 HB THR A 24 -3.937 0.868 -9.607 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.005 1.017 -11.688 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.637 0.693 -11.696 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.958 -0.334 -10.411 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.919 -1.064 -11.720 1.00 0.00 H new ATOM 337 N LEU A 25 -2.699 -1.012 -7.602 1.00 0.00 N ATOM 338 CA LEU A 25 -1.476 -1.329 -6.874 1.00 0.00 C ATOM 339 C LEU A 25 -1.325 -2.837 -6.695 1.00 0.00 C ATOM 340 O LEU A 25 -0.229 -3.382 -6.833 1.00 0.00 O ATOM 341 CB LEU A 25 -1.479 -0.640 -5.508 1.00 0.00 C ATOM 342 CG LEU A 25 -1.772 0.860 -5.514 1.00 0.00 C ATOM 343 CD1 LEU A 25 -1.944 1.376 -4.094 1.00 0.00 C ATOM 344 CD2 LEU A 25 -0.663 1.618 -6.229 1.00 0.00 C ATOM 0 H LEU A 25 -3.254 -0.264 -7.187 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.630 -0.964 -7.457 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.219 -1.132 -4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.507 -0.798 -5.041 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.704 1.026 -6.054 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.152 2.446 -4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.774 0.856 -3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.030 1.197 -3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.889 2.684 -6.223 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.284 1.445 -5.718 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.589 1.268 -7.259 1.00 0.00 H new ATOM 356 N LEU A 26 -2.432 -3.505 -6.390 1.00 0.00 N ATOM 357 CA LEU A 26 -2.423 -4.951 -6.194 1.00 0.00 C ATOM 358 C LEU A 26 -2.985 -5.668 -7.417 1.00 0.00 C ATOM 359 O LEU A 26 -3.022 -6.897 -7.466 1.00 0.00 O ATOM 360 CB LEU A 26 -3.236 -5.322 -4.953 1.00 0.00 C ATOM 361 CG LEU A 26 -2.999 -4.459 -3.713 1.00 0.00 C ATOM 362 CD1 LEU A 26 -3.900 -4.906 -2.572 1.00 0.00 C ATOM 363 CD2 LEU A 26 -1.537 -4.517 -3.294 1.00 0.00 C ATOM 0 H LEU A 26 -3.347 -3.069 -6.273 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.390 -5.268 -6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.294 -5.273 -5.208 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.018 -6.359 -4.697 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.245 -3.426 -3.960 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.718 -4.281 -1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.943 -4.812 -2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.686 -5.946 -2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.387 -3.897 -2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.265 -5.547 -3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.911 -4.148 -4.106 1.00 0.00 H new ATOM 375 N GLY A 27 -3.421 -4.892 -8.405 1.00 0.00 N ATOM 376 CA GLY A 27 -3.973 -5.471 -9.616 1.00 0.00 C ATOM 377 C GLY A 27 -5.177 -6.350 -9.341 1.00 0.00 C ATOM 378 O GLY A 27 -5.338 -7.404 -9.958 1.00 0.00 O ATOM 0 H GLY A 27 -3.402 -3.872 -8.388 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.259 -4.672 -10.300 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.204 -6.059 -10.117 1.00 0.00 H new ATOM 382 N CYS A 28 -6.023 -5.919 -8.412 1.00 0.00 N ATOM 383 CA CYS A 28 -7.217 -6.676 -8.055 1.00 0.00 C ATOM 384 C CYS A 28 -8.461 -5.796 -8.131 1.00 0.00 C ATOM 385 O CYS A 28 -8.392 -4.640 -8.548 1.00 0.00 O ATOM 386 CB CYS A 28 -7.075 -7.259 -6.648 1.00 0.00 C ATOM 387 SG CYS A 28 -7.303 -6.051 -5.322 1.00 0.00 S ATOM 0 H CYS A 28 -5.904 -5.049 -7.892 1.00 0.00 H new ATOM 0 HA CYS A 28 -7.327 -7.492 -8.769 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.803 -8.061 -6.523 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -6.086 -7.708 -6.550 1.00 0.00 H new ATOM 0 HG CYS A 28 -8.260 -6.445 -4.536 1.00 0.00 H new ATOM 393 N ASP A 29 -9.598 -6.352 -7.726 1.00 0.00 N ATOM 394 CA ASP A 29 -10.858 -5.619 -7.749 1.00 0.00 C ATOM 395 C ASP A 29 -11.821 -6.161 -6.698 1.00 0.00 C ATOM 396 O ASP A 29 -11.470 -7.047 -5.920 1.00 0.00 O ATOM 397 CB ASP A 29 -11.497 -5.703 -9.136 1.00 0.00 C ATOM 398 CG ASP A 29 -10.900 -4.706 -10.110 1.00 0.00 C ATOM 399 OD1 ASP A 29 -10.514 -3.604 -9.668 1.00 0.00 O ATOM 400 OD2 ASP A 29 -10.819 -5.028 -11.314 1.00 0.00 O ATOM 0 H ASP A 29 -9.673 -7.308 -7.378 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.646 -4.575 -7.518 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -11.371 -6.711 -9.530 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -12.569 -5.525 -9.050 1.00 0.00 H new ATOM 405 N GLU A 30 -13.037 -5.623 -6.682 1.00 0.00 N ATOM 406 CA GLU A 30 -14.049 -6.052 -5.725 1.00 0.00 C ATOM 407 C GLU A 30 -14.280 -7.558 -5.815 1.00 0.00 C ATOM 408 O GLU A 30 -14.732 -8.187 -4.858 1.00 0.00 O ATOM 409 CB GLU A 30 -15.364 -5.308 -5.972 1.00 0.00 C ATOM 410 CG GLU A 30 -15.917 -5.499 -7.374 1.00 0.00 C ATOM 411 CD GLU A 30 -17.344 -5.004 -7.510 1.00 0.00 C ATOM 412 OE1 GLU A 30 -17.534 -3.785 -7.702 1.00 0.00 O ATOM 413 OE2 GLU A 30 -18.271 -5.837 -7.426 1.00 0.00 O ATOM 0 H GLU A 30 -13.344 -4.890 -7.321 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.688 -5.816 -4.724 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -16.105 -5.648 -5.249 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -15.209 -4.244 -5.794 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.283 -4.970 -8.086 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.877 -6.556 -7.636 1.00 0.00 H new ATOM 420 N LEU A 31 -13.966 -8.130 -6.972 1.00 0.00 N ATOM 421 CA LEU A 31 -14.138 -9.562 -7.190 1.00 0.00 C ATOM 422 C LEU A 31 -13.073 -10.358 -6.442 1.00 0.00 C ATOM 423 O LEU A 31 -13.347 -11.434 -5.911 1.00 0.00 O ATOM 424 CB LEU A 31 -14.075 -9.883 -8.684 1.00 0.00 C ATOM 425 CG LEU A 31 -14.985 -9.050 -9.588 1.00 0.00 C ATOM 426 CD1 LEU A 31 -14.282 -7.774 -10.024 1.00 0.00 C ATOM 427 CD2 LEU A 31 -15.421 -9.862 -10.799 1.00 0.00 C ATOM 0 H LEU A 31 -13.591 -7.624 -7.774 1.00 0.00 H new ATOM 0 HA LEU A 31 -15.117 -9.848 -6.805 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -13.046 -9.754 -9.020 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -14.325 -10.935 -8.820 1.00 0.00 H new ATOM 0 HG LEU A 31 -15.874 -8.774 -9.021 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.945 -7.195 -10.666 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -14.021 -7.184 -9.145 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -13.375 -8.028 -10.573 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -16.068 -9.254 -11.431 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -14.543 -10.168 -11.367 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -15.965 -10.746 -10.467 1.00 0.00 H new ATOM 439 N SER A 32 -11.858 -9.821 -6.403 1.00 0.00 N ATOM 440 CA SER A 32 -10.752 -10.482 -5.721 1.00 0.00 C ATOM 441 C SER A 32 -11.026 -10.596 -4.225 1.00 0.00 C ATOM 442 O SER A 32 -11.587 -9.687 -3.614 1.00 0.00 O ATOM 443 CB SER A 32 -9.449 -9.714 -5.955 1.00 0.00 C ATOM 444 OG SER A 32 -9.038 -9.807 -7.308 1.00 0.00 O ATOM 0 H SER A 32 -11.615 -8.930 -6.836 1.00 0.00 H new ATOM 0 HA SER A 32 -10.653 -11.487 -6.132 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.587 -8.667 -5.685 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.668 -10.111 -5.306 1.00 0.00 H new ATOM 0 HG SER A 32 -8.096 -10.075 -7.346 1.00 0.00 H new ATOM 450 N SER A 33 -10.625 -11.721 -3.641 1.00 0.00 N ATOM 451 CA SER A 33 -10.830 -11.958 -2.216 1.00 0.00 C ATOM 452 C SER A 33 -9.631 -11.473 -1.407 1.00 0.00 C ATOM 453 O SER A 33 -8.590 -11.126 -1.965 1.00 0.00 O ATOM 454 CB SER A 33 -11.069 -13.446 -1.954 1.00 0.00 C ATOM 455 OG SER A 33 -12.404 -13.810 -2.259 1.00 0.00 O ATOM 0 H SER A 33 -10.157 -12.482 -4.132 1.00 0.00 H new ATOM 0 HA SER A 33 -11.709 -11.396 -1.902 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.381 -14.039 -2.556 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.857 -13.673 -0.909 1.00 0.00 H new ATOM 0 HG SER A 33 -12.530 -14.766 -2.085 1.00 0.00 H new ATOM 461 N VAL A 34 -9.786 -11.451 -0.087 1.00 0.00 N ATOM 462 CA VAL A 34 -8.718 -11.010 0.801 1.00 0.00 C ATOM 463 C VAL A 34 -7.484 -11.894 0.657 1.00 0.00 C ATOM 464 O VAL A 34 -6.384 -11.403 0.401 1.00 0.00 O ATOM 465 CB VAL A 34 -9.172 -11.018 2.273 1.00 0.00 C ATOM 466 CG1 VAL A 34 -8.007 -10.685 3.193 1.00 0.00 C ATOM 467 CG2 VAL A 34 -10.322 -10.045 2.481 1.00 0.00 C ATOM 0 H VAL A 34 -10.642 -11.734 0.391 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.467 -9.990 0.512 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.525 -12.019 2.521 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.347 -10.695 4.229 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.217 -11.425 3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.621 -9.696 2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.630 -10.064 3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.999 -9.038 2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -11.162 -10.335 1.850 1.00 0.00 H new ATOM 477 N GLU A 35 -7.674 -13.199 0.822 1.00 0.00 N ATOM 478 CA GLU A 35 -6.575 -14.151 0.711 1.00 0.00 C ATOM 479 C GLU A 35 -5.705 -13.837 -0.503 1.00 0.00 C ATOM 480 O GLU A 35 -4.489 -13.685 -0.385 1.00 0.00 O ATOM 481 CB GLU A 35 -7.116 -15.578 0.608 1.00 0.00 C ATOM 482 CG GLU A 35 -7.334 -16.244 1.957 1.00 0.00 C ATOM 483 CD GLU A 35 -8.117 -17.539 1.848 1.00 0.00 C ATOM 484 OE1 GLU A 35 -9.132 -17.558 1.121 1.00 0.00 O ATOM 485 OE2 GLU A 35 -7.715 -18.531 2.490 1.00 0.00 O ATOM 0 H GLU A 35 -8.578 -13.621 1.033 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.962 -14.066 1.608 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.060 -15.562 0.063 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.421 -16.180 0.023 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.368 -16.446 2.419 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.865 -15.557 2.616 1.00 0.00 H new ATOM 492 N GLN A 36 -6.337 -13.742 -1.668 1.00 0.00 N ATOM 493 CA GLN A 36 -5.621 -13.448 -2.904 1.00 0.00 C ATOM 494 C GLN A 36 -4.953 -12.079 -2.833 1.00 0.00 C ATOM 495 O GLN A 36 -3.754 -11.948 -3.084 1.00 0.00 O ATOM 496 CB GLN A 36 -6.576 -13.501 -4.097 1.00 0.00 C ATOM 497 CG GLN A 36 -6.832 -14.909 -4.609 1.00 0.00 C ATOM 498 CD GLN A 36 -5.764 -15.381 -5.577 1.00 0.00 C ATOM 499 OE1 GLN A 36 -4.610 -15.582 -5.197 1.00 0.00 O ATOM 500 NE2 GLN A 36 -6.145 -15.563 -6.836 1.00 0.00 N ATOM 0 H GLN A 36 -7.343 -13.864 -1.782 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.847 -14.204 -3.034 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.526 -13.049 -3.812 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.166 -12.898 -4.907 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.880 -15.596 -3.764 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.804 -14.941 -5.102 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.112 -15.384 -7.107 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.471 -15.882 -7.532 1.00 0.00 H new ATOM 509 N ILE A 37 -5.735 -11.061 -2.490 1.00 0.00 N ATOM 510 CA ILE A 37 -5.219 -9.702 -2.385 1.00 0.00 C ATOM 511 C ILE A 37 -3.912 -9.669 -1.600 1.00 0.00 C ATOM 512 O ILE A 37 -3.044 -8.832 -1.852 1.00 0.00 O ATOM 513 CB ILE A 37 -6.235 -8.764 -1.708 1.00 0.00 C ATOM 514 CG1 ILE A 37 -7.432 -8.523 -2.630 1.00 0.00 C ATOM 515 CG2 ILE A 37 -5.573 -7.446 -1.335 1.00 0.00 C ATOM 516 CD1 ILE A 37 -8.659 -8.013 -1.906 1.00 0.00 C ATOM 0 H ILE A 37 -6.729 -11.152 -2.280 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.038 -9.354 -3.402 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.593 -9.239 -0.795 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.149 -7.804 -3.399 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.681 -9.454 -3.139 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.304 -6.794 -0.857 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.750 -7.634 -0.646 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.190 -6.964 -2.234 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.468 -7.865 -2.621 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.967 -8.741 -1.155 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.427 -7.066 -1.419 1.00 0.00 H new ATOM 528 N LEU A 38 -3.777 -10.586 -0.648 1.00 0.00 N ATOM 529 CA LEU A 38 -2.575 -10.665 0.174 1.00 0.00 C ATOM 530 C LEU A 38 -1.438 -11.339 -0.587 1.00 0.00 C ATOM 531 O LEU A 38 -0.316 -10.836 -0.620 1.00 0.00 O ATOM 532 CB LEU A 38 -2.865 -11.432 1.465 1.00 0.00 C ATOM 533 CG LEU A 38 -3.629 -10.664 2.545 1.00 0.00 C ATOM 534 CD1 LEU A 38 -4.252 -11.627 3.544 1.00 0.00 C ATOM 535 CD2 LEU A 38 -2.709 -9.679 3.251 1.00 0.00 C ATOM 0 H LEU A 38 -4.486 -11.285 -0.426 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.268 -9.649 0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.434 -12.327 1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.917 -11.766 1.887 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.430 -10.101 2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.791 -11.063 4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.944 -12.291 3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.468 -12.218 4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.270 -9.142 4.016 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.886 -10.220 3.717 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.312 -8.969 2.526 1.00 0.00 H new ATOM 547 N ALA A 39 -1.737 -12.480 -1.199 1.00 0.00 N ATOM 548 CA ALA A 39 -0.742 -13.222 -1.963 1.00 0.00 C ATOM 549 C ALA A 39 -0.049 -12.321 -2.981 1.00 0.00 C ATOM 550 O ALA A 39 1.178 -12.299 -3.069 1.00 0.00 O ATOM 551 CB ALA A 39 -1.388 -14.409 -2.660 1.00 0.00 C ATOM 0 H ALA A 39 -2.661 -12.911 -1.180 1.00 0.00 H new ATOM 0 HA ALA A 39 0.013 -13.590 -1.268 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.633 -14.953 -3.227 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.831 -15.071 -1.916 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.164 -14.054 -3.338 1.00 0.00 H new ATOM 557 N GLU A 40 -0.844 -11.581 -3.747 1.00 0.00 N ATOM 558 CA GLU A 40 -0.306 -10.681 -4.760 1.00 0.00 C ATOM 559 C GLU A 40 0.506 -9.561 -4.115 1.00 0.00 C ATOM 560 O GLU A 40 1.524 -9.127 -4.656 1.00 0.00 O ATOM 561 CB GLU A 40 -1.438 -10.086 -5.599 1.00 0.00 C ATOM 562 CG GLU A 40 -2.419 -9.251 -4.794 1.00 0.00 C ATOM 563 CD GLU A 40 -3.677 -8.916 -5.572 1.00 0.00 C ATOM 564 OE1 GLU A 40 -3.873 -9.498 -6.660 1.00 0.00 O ATOM 565 OE2 GLU A 40 -4.465 -8.074 -5.094 1.00 0.00 O ATOM 0 H GLU A 40 -1.862 -11.587 -3.685 1.00 0.00 H new ATOM 0 HA GLU A 40 0.353 -11.258 -5.409 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.008 -9.467 -6.387 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.979 -10.895 -6.089 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.690 -9.791 -3.887 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.933 -8.327 -4.482 1.00 0.00 H new ATOM 572 N PHE A 41 0.049 -9.097 -2.957 1.00 0.00 N ATOM 573 CA PHE A 41 0.731 -8.027 -2.239 1.00 0.00 C ATOM 574 C PHE A 41 2.106 -8.483 -1.761 1.00 0.00 C ATOM 575 O PHE A 41 3.058 -7.703 -1.736 1.00 0.00 O ATOM 576 CB PHE A 41 -0.110 -7.568 -1.046 1.00 0.00 C ATOM 577 CG PHE A 41 0.705 -6.986 0.073 1.00 0.00 C ATOM 578 CD1 PHE A 41 1.161 -5.679 0.009 1.00 0.00 C ATOM 579 CD2 PHE A 41 1.016 -7.745 1.190 1.00 0.00 C ATOM 580 CE1 PHE A 41 1.911 -5.140 1.037 1.00 0.00 C ATOM 581 CE2 PHE A 41 1.766 -7.211 2.221 1.00 0.00 C ATOM 582 CZ PHE A 41 2.215 -5.907 2.144 1.00 0.00 C ATOM 0 H PHE A 41 -0.791 -9.445 -2.496 1.00 0.00 H new ATOM 0 HA PHE A 41 0.864 -7.190 -2.925 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.831 -6.824 -1.385 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.681 -8.415 -0.666 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.927 -5.074 -0.855 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.668 -8.765 1.256 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.259 -4.120 0.974 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.001 -7.813 3.086 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.802 -5.488 2.948 1.00 0.00 H new ATOM 592 N LYS A 42 2.203 -9.753 -1.382 1.00 0.00 N ATOM 593 CA LYS A 42 3.461 -10.316 -0.905 1.00 0.00 C ATOM 594 C LYS A 42 4.475 -10.422 -2.040 1.00 0.00 C ATOM 595 O LYS A 42 5.616 -9.980 -1.909 1.00 0.00 O ATOM 596 CB LYS A 42 3.224 -11.696 -0.288 1.00 0.00 C ATOM 597 CG LYS A 42 2.608 -11.645 1.099 1.00 0.00 C ATOM 598 CD LYS A 42 1.787 -12.890 1.392 1.00 0.00 C ATOM 599 CE LYS A 42 0.980 -12.737 2.672 1.00 0.00 C ATOM 600 NZ LYS A 42 0.392 -14.032 3.114 1.00 0.00 N ATOM 0 H LYS A 42 1.425 -10.412 -1.396 1.00 0.00 H new ATOM 0 HA LYS A 42 3.863 -9.648 -0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.572 -12.271 -0.945 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.173 -12.229 -0.235 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.397 -11.545 1.845 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.974 -10.762 1.184 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.114 -13.088 0.558 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.449 -13.752 1.479 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.620 -12.341 3.460 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.183 -12.011 2.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.150 -13.886 3.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.239 -14.398 2.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.154 -14.718 3.289 1.00 0.00 H new ATOM 614 N VAL A 43 4.050 -11.009 -3.154 1.00 0.00 N ATOM 615 CA VAL A 43 4.920 -11.170 -4.313 1.00 0.00 C ATOM 616 C VAL A 43 5.266 -9.820 -4.932 1.00 0.00 C ATOM 617 O VAL A 43 6.433 -9.527 -5.194 1.00 0.00 O ATOM 618 CB VAL A 43 4.267 -12.062 -5.385 1.00 0.00 C ATOM 619 CG1 VAL A 43 4.090 -13.480 -4.865 1.00 0.00 C ATOM 620 CG2 VAL A 43 2.933 -11.476 -5.825 1.00 0.00 C ATOM 0 H VAL A 43 3.108 -11.381 -3.279 1.00 0.00 H new ATOM 0 HA VAL A 43 5.833 -11.649 -3.960 1.00 0.00 H new ATOM 0 HB VAL A 43 4.926 -12.099 -6.253 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.627 -14.095 -5.636 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.063 -13.896 -4.604 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.453 -13.466 -3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.485 -12.119 -6.583 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.265 -11.407 -4.967 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.092 -10.481 -6.241 1.00 0.00 H new ATOM 630 N ARG A 44 4.245 -9.002 -5.163 1.00 0.00 N ATOM 631 CA ARG A 44 4.441 -7.683 -5.753 1.00 0.00 C ATOM 632 C ARG A 44 5.282 -6.798 -4.837 1.00 0.00 C ATOM 633 O ARG A 44 6.086 -5.992 -5.303 1.00 0.00 O ATOM 634 CB ARG A 44 3.091 -7.017 -6.025 1.00 0.00 C ATOM 635 CG ARG A 44 2.364 -7.584 -7.233 1.00 0.00 C ATOM 636 CD ARG A 44 0.882 -7.246 -7.202 1.00 0.00 C ATOM 637 NE ARG A 44 0.313 -7.155 -8.543 1.00 0.00 N ATOM 638 CZ ARG A 44 0.032 -8.213 -9.296 1.00 0.00 C ATOM 639 NH1 ARG A 44 0.266 -9.436 -8.839 1.00 0.00 N ATOM 640 NH2 ARG A 44 -0.485 -8.050 -10.507 1.00 0.00 N ATOM 0 H ARG A 44 3.274 -9.229 -4.951 1.00 0.00 H new ATOM 0 HA ARG A 44 4.972 -7.809 -6.696 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.457 -7.128 -5.145 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.246 -5.948 -6.174 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.809 -7.188 -8.146 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.491 -8.666 -7.260 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.349 -8.007 -6.633 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.737 -6.299 -6.682 1.00 0.00 H new ATOM 0 HE ARG A 44 0.120 -6.228 -8.923 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.662 -9.565 -7.908 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.050 -10.247 -9.418 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.667 -7.111 -10.862 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.700 -8.864 -11.083 1.00 0.00 H new ATOM 654 N ALA A 45 5.089 -6.954 -3.531 1.00 0.00 N ATOM 655 CA ALA A 45 5.830 -6.171 -2.550 1.00 0.00 C ATOM 656 C ALA A 45 7.263 -6.673 -2.417 1.00 0.00 C ATOM 657 O ALA A 45 8.204 -5.882 -2.340 1.00 0.00 O ATOM 658 CB ALA A 45 5.126 -6.212 -1.202 1.00 0.00 C ATOM 0 H ALA A 45 4.426 -7.616 -3.128 1.00 0.00 H new ATOM 0 HA ALA A 45 5.866 -5.138 -2.897 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.690 -5.623 -0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.123 -5.798 -1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.060 -7.244 -0.857 1.00 0.00 H new ATOM 664 N LEU A 46 7.423 -7.992 -2.388 1.00 0.00 N ATOM 665 CA LEU A 46 8.743 -8.600 -2.263 1.00 0.00 C ATOM 666 C LEU A 46 9.563 -8.388 -3.531 1.00 0.00 C ATOM 667 O LEU A 46 10.762 -8.120 -3.468 1.00 0.00 O ATOM 668 CB LEU A 46 8.611 -10.096 -1.971 1.00 0.00 C ATOM 669 CG LEU A 46 8.231 -10.470 -0.538 1.00 0.00 C ATOM 670 CD1 LEU A 46 7.586 -11.847 -0.499 1.00 0.00 C ATOM 671 CD2 LEU A 46 9.453 -10.425 0.367 1.00 0.00 C ATOM 0 H LEU A 46 6.655 -8.660 -2.449 1.00 0.00 H new ATOM 0 HA LEU A 46 9.261 -8.118 -1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.862 -10.512 -2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.559 -10.578 -2.212 1.00 0.00 H new ATOM 0 HG LEU A 46 7.507 -9.742 -0.173 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.322 -12.096 0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.686 -11.845 -1.114 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.287 -12.588 -0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.164 -10.694 1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.201 -11.130 0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.872 -9.419 0.363 1.00 0.00 H new ATOM 683 N GLU A 47 8.907 -8.507 -4.681 1.00 0.00 N ATOM 684 CA GLU A 47 9.576 -8.327 -5.964 1.00 0.00 C ATOM 685 C GLU A 47 10.223 -6.947 -6.050 1.00 0.00 C ATOM 686 O GLU A 47 11.142 -6.730 -6.841 1.00 0.00 O ATOM 687 CB GLU A 47 8.582 -8.509 -7.113 1.00 0.00 C ATOM 688 CG GLU A 47 8.300 -9.963 -7.449 1.00 0.00 C ATOM 689 CD GLU A 47 7.329 -10.118 -8.603 1.00 0.00 C ATOM 690 OE1 GLU A 47 6.105 -10.103 -8.353 1.00 0.00 O ATOM 691 OE2 GLU A 47 7.792 -10.254 -9.755 1.00 0.00 O ATOM 0 H GLU A 47 7.913 -8.727 -4.750 1.00 0.00 H new ATOM 0 HA GLU A 47 10.358 -9.082 -6.047 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.645 -8.017 -6.853 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.970 -8.008 -8.000 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.236 -10.463 -7.698 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.895 -10.463 -6.569 1.00 0.00 H new ATOM 698 N CYS A 48 9.737 -6.020 -5.233 1.00 0.00 N ATOM 699 CA CYS A 48 10.267 -4.661 -5.217 1.00 0.00 C ATOM 700 C CYS A 48 10.558 -4.207 -3.790 1.00 0.00 C ATOM 701 O CYS A 48 10.471 -3.020 -3.475 1.00 0.00 O ATOM 702 CB CYS A 48 9.280 -3.699 -5.880 1.00 0.00 C ATOM 703 SG CYS A 48 9.320 -3.729 -7.687 1.00 0.00 S ATOM 0 H CYS A 48 8.977 -6.184 -4.573 1.00 0.00 H new ATOM 0 HA CYS A 48 11.202 -4.655 -5.778 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.272 -3.943 -5.546 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.493 -2.686 -5.539 1.00 0.00 H new ATOM 0 HG CYS A 48 8.449 -2.884 -8.154 1.00 0.00 H new ATOM 709 N HIS A 49 10.902 -5.161 -2.930 1.00 0.00 N ATOM 710 CA HIS A 49 11.205 -4.859 -1.536 1.00 0.00 C ATOM 711 C HIS A 49 12.424 -3.948 -1.429 1.00 0.00 C ATOM 712 O HIS A 49 13.406 -4.097 -2.157 1.00 0.00 O ATOM 713 CB HIS A 49 11.448 -6.150 -0.754 1.00 0.00 C ATOM 714 CG HIS A 49 11.108 -6.043 0.701 1.00 0.00 C ATOM 715 ND1 HIS A 49 11.988 -5.561 1.646 1.00 0.00 N ATOM 716 CD2 HIS A 49 9.974 -6.358 1.370 1.00 0.00 C ATOM 717 CE1 HIS A 49 11.411 -5.586 2.834 1.00 0.00 C ATOM 718 NE2 HIS A 49 10.188 -6.064 2.694 1.00 0.00 N ATOM 0 H HIS A 49 10.978 -6.148 -3.174 1.00 0.00 H new ATOM 0 HA HIS A 49 10.348 -4.340 -1.108 1.00 0.00 H new ATOM 0 HB2 HIS A 49 10.857 -6.951 -1.199 1.00 0.00 H new ATOM 0 HB3 HIS A 49 12.496 -6.434 -0.854 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.070 -6.765 0.942 1.00 0.00 H new ATOM 0 HE1 HIS A 49 11.863 -5.269 3.762 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.512 -6.194 3.447 1.00 0.00 H new ATOM 726 N PRO A 50 12.362 -2.982 -0.502 1.00 0.00 N ATOM 727 CA PRO A 50 13.453 -2.028 -0.278 1.00 0.00 C ATOM 728 C PRO A 50 14.679 -2.685 0.347 1.00 0.00 C ATOM 729 O PRO A 50 15.797 -2.529 -0.144 1.00 0.00 O ATOM 730 CB PRO A 50 12.841 -1.009 0.687 1.00 0.00 C ATOM 731 CG PRO A 50 11.767 -1.758 1.396 1.00 0.00 C ATOM 732 CD PRO A 50 11.223 -2.745 0.401 1.00 0.00 C ATOM 0 HA PRO A 50 13.810 -1.591 -1.211 1.00 0.00 H new ATOM 0 HB2 PRO A 50 13.586 -0.628 1.386 1.00 0.00 H new ATOM 0 HB3 PRO A 50 12.437 -0.149 0.152 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.162 -2.268 2.275 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.985 -1.083 1.743 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.896 -3.665 0.885 1.00 0.00 H new ATOM 0 HD3 PRO A 50 10.363 -2.343 -0.134 1.00 0.00 H new ATOM 740 N ASP A 51 14.462 -3.419 1.432 1.00 0.00 N ATOM 741 CA ASP A 51 15.549 -4.102 2.124 1.00 0.00 C ATOM 742 C ASP A 51 16.423 -4.871 1.138 1.00 0.00 C ATOM 743 O ASP A 51 17.649 -4.765 1.164 1.00 0.00 O ATOM 744 CB ASP A 51 14.991 -5.055 3.181 1.00 0.00 C ATOM 745 CG ASP A 51 14.676 -4.352 4.487 1.00 0.00 C ATOM 746 OD1 ASP A 51 15.628 -3.958 5.192 1.00 0.00 O ATOM 747 OD2 ASP A 51 13.478 -4.197 4.804 1.00 0.00 O ATOM 0 H ASP A 51 13.543 -3.557 1.852 1.00 0.00 H new ATOM 0 HA ASP A 51 16.164 -3.348 2.615 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.086 -5.527 2.799 1.00 0.00 H new ATOM 0 HB3 ASP A 51 15.712 -5.851 3.365 1.00 0.00 H new ATOM 752 N LYS A 52 15.783 -5.646 0.269 1.00 0.00 N ATOM 753 CA LYS A 52 16.500 -6.434 -0.727 1.00 0.00 C ATOM 754 C LYS A 52 17.334 -5.535 -1.634 1.00 0.00 C ATOM 755 O LYS A 52 18.512 -5.800 -1.875 1.00 0.00 O ATOM 756 CB LYS A 52 15.516 -7.251 -1.566 1.00 0.00 C ATOM 757 CG LYS A 52 14.955 -8.461 -0.840 1.00 0.00 C ATOM 758 CD LYS A 52 16.005 -9.547 -0.674 1.00 0.00 C ATOM 759 CE LYS A 52 16.166 -10.366 -1.945 1.00 0.00 C ATOM 760 NZ LYS A 52 14.978 -11.224 -2.207 1.00 0.00 N ATOM 0 H LYS A 52 14.768 -5.745 0.234 1.00 0.00 H new ATOM 0 HA LYS A 52 17.171 -7.114 -0.202 1.00 0.00 H new ATOM 0 HB2 LYS A 52 14.691 -6.607 -1.873 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.016 -7.583 -2.476 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.584 -8.159 0.140 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.105 -8.857 -1.395 1.00 0.00 H new ATOM 0 HD2 LYS A 52 16.960 -9.094 -0.409 1.00 0.00 H new ATOM 0 HD3 LYS A 52 15.724 -10.203 0.150 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.324 -9.697 -2.791 1.00 0.00 H new ATOM 0 HE3 LYS A 52 17.055 -10.992 -1.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.233 -11.973 -2.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.658 -11.655 -1.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.212 -10.644 -2.606 1.00 0.00 H new ATOM 774 N HIS A 53 16.716 -4.469 -2.133 1.00 0.00 N ATOM 775 CA HIS A 53 17.403 -3.529 -3.013 1.00 0.00 C ATOM 776 C HIS A 53 17.693 -2.219 -2.287 1.00 0.00 C ATOM 777 O HIS A 53 16.954 -1.241 -2.403 1.00 0.00 O ATOM 778 CB HIS A 53 16.563 -3.259 -4.261 1.00 0.00 C ATOM 779 CG HIS A 53 16.066 -4.504 -4.929 1.00 0.00 C ATOM 780 ND1 HIS A 53 16.753 -5.141 -5.941 1.00 0.00 N ATOM 781 CD2 HIS A 53 14.943 -5.232 -4.723 1.00 0.00 C ATOM 782 CE1 HIS A 53 16.073 -6.205 -6.330 1.00 0.00 C ATOM 783 NE2 HIS A 53 14.971 -6.283 -5.606 1.00 0.00 N ATOM 0 H HIS A 53 15.742 -4.234 -1.943 1.00 0.00 H new ATOM 0 HA HIS A 53 18.351 -3.976 -3.313 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.710 -2.638 -3.987 1.00 0.00 H new ATOM 0 HB3 HIS A 53 17.158 -2.687 -4.973 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.169 -5.024 -3.999 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.368 -6.894 -7.108 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.257 -7.006 -5.689 1.00 0.00 H new ATOM 791 N PRO A 54 18.793 -2.197 -1.520 1.00 0.00 N ATOM 792 CA PRO A 54 19.205 -1.013 -0.761 1.00 0.00 C ATOM 793 C PRO A 54 19.693 0.115 -1.664 1.00 0.00 C ATOM 794 O PRO A 54 19.742 1.274 -1.254 1.00 0.00 O ATOM 795 CB PRO A 54 20.350 -1.532 0.113 1.00 0.00 C ATOM 796 CG PRO A 54 20.893 -2.703 -0.632 1.00 0.00 C ATOM 797 CD PRO A 54 19.720 -3.326 -1.336 1.00 0.00 C ATOM 0 HA PRO A 54 18.378 -0.585 -0.194 1.00 0.00 H new ATOM 0 HB2 PRO A 54 21.113 -0.768 0.261 1.00 0.00 H new ATOM 0 HB3 PRO A 54 19.994 -1.822 1.101 1.00 0.00 H new ATOM 0 HG2 PRO A 54 21.656 -2.392 -1.345 1.00 0.00 H new ATOM 0 HG3 PRO A 54 21.363 -3.414 0.047 1.00 0.00 H new ATOM 0 HD2 PRO A 54 20.011 -3.766 -2.290 1.00 0.00 H new ATOM 0 HD3 PRO A 54 19.271 -4.122 -0.742 1.00 0.00 H new ATOM 805 N GLU A 55 20.053 -0.234 -2.896 1.00 0.00 N ATOM 806 CA GLU A 55 20.537 0.751 -3.856 1.00 0.00 C ATOM 807 C GLU A 55 19.382 1.569 -4.426 1.00 0.00 C ATOM 808 O GLU A 55 19.558 2.723 -4.814 1.00 0.00 O ATOM 809 CB GLU A 55 21.295 0.058 -4.991 1.00 0.00 C ATOM 810 CG GLU A 55 21.936 1.024 -5.973 1.00 0.00 C ATOM 811 CD GLU A 55 22.952 1.937 -5.315 1.00 0.00 C ATOM 812 OE1 GLU A 55 24.111 1.506 -5.139 1.00 0.00 O ATOM 813 OE2 GLU A 55 22.588 3.082 -4.975 1.00 0.00 O ATOM 0 H GLU A 55 20.019 -1.189 -3.252 1.00 0.00 H new ATOM 0 HA GLU A 55 21.215 1.427 -3.335 1.00 0.00 H new ATOM 0 HB2 GLU A 55 22.069 -0.579 -4.564 1.00 0.00 H new ATOM 0 HB3 GLU A 55 20.608 -0.593 -5.531 1.00 0.00 H new ATOM 0 HG2 GLU A 55 22.422 0.459 -6.768 1.00 0.00 H new ATOM 0 HG3 GLU A 55 21.159 1.629 -6.441 1.00 0.00 H new ATOM 820 N ASN A 56 18.201 0.961 -4.475 1.00 0.00 N ATOM 821 CA ASN A 56 17.017 1.633 -4.998 1.00 0.00 C ATOM 822 C ASN A 56 16.095 2.071 -3.865 1.00 0.00 C ATOM 823 O ASN A 56 15.293 1.294 -3.347 1.00 0.00 O ATOM 824 CB ASN A 56 16.263 0.708 -5.956 1.00 0.00 C ATOM 825 CG ASN A 56 14.966 1.320 -6.449 1.00 0.00 C ATOM 826 OD1 ASN A 56 14.866 2.535 -6.623 1.00 0.00 O ATOM 827 ND2 ASN A 56 13.964 0.479 -6.677 1.00 0.00 N ATOM 0 H ASN A 56 18.039 0.005 -4.159 1.00 0.00 H new ATOM 0 HA ASN A 56 17.343 2.521 -5.541 1.00 0.00 H new ATOM 0 HB2 ASN A 56 16.900 0.476 -6.810 1.00 0.00 H new ATOM 0 HB3 ASN A 56 16.049 -0.235 -5.453 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.067 0.833 -7.010 1.00 0.00 H new ATOM 0 HD22 ASN A 56 14.091 -0.521 -6.519 1.00 0.00 H new ATOM 834 N PRO A 57 16.209 3.348 -3.470 1.00 0.00 N ATOM 835 CA PRO A 57 15.393 3.920 -2.395 1.00 0.00 C ATOM 836 C PRO A 57 13.930 4.073 -2.797 1.00 0.00 C ATOM 837 O PRO A 57 13.027 3.706 -2.044 1.00 0.00 O ATOM 838 CB PRO A 57 16.028 5.293 -2.159 1.00 0.00 C ATOM 839 CG PRO A 57 16.680 5.636 -3.454 1.00 0.00 C ATOM 840 CD PRO A 57 17.143 4.332 -4.043 1.00 0.00 C ATOM 0 HA PRO A 57 15.380 3.283 -1.511 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.278 6.034 -1.885 1.00 0.00 H new ATOM 0 HB3 PRO A 57 16.754 5.259 -1.347 1.00 0.00 H new ATOM 0 HG2 PRO A 57 15.981 6.139 -4.122 1.00 0.00 H new ATOM 0 HG3 PRO A 57 17.519 6.315 -3.301 1.00 0.00 H new ATOM 0 HD2 PRO A 57 17.096 4.344 -5.132 1.00 0.00 H new ATOM 0 HD3 PRO A 57 18.175 4.112 -3.771 1.00 0.00 H new ATOM 848 N LYS A 58 13.701 4.615 -3.988 1.00 0.00 N ATOM 849 CA LYS A 58 12.347 4.815 -4.491 1.00 0.00 C ATOM 850 C LYS A 58 11.461 3.620 -4.157 1.00 0.00 C ATOM 851 O LYS A 58 10.294 3.781 -3.800 1.00 0.00 O ATOM 852 CB LYS A 58 12.372 5.038 -6.005 1.00 0.00 C ATOM 853 CG LYS A 58 12.508 6.498 -6.402 1.00 0.00 C ATOM 854 CD LYS A 58 13.952 6.965 -6.325 1.00 0.00 C ATOM 855 CE LYS A 58 14.129 8.336 -6.959 1.00 0.00 C ATOM 856 NZ LYS A 58 13.853 9.434 -5.991 1.00 0.00 N ATOM 0 H LYS A 58 14.436 4.924 -4.624 1.00 0.00 H new ATOM 0 HA LYS A 58 11.932 5.699 -4.006 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.201 4.475 -6.433 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.456 4.636 -6.438 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.134 6.637 -7.416 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.890 7.113 -5.747 1.00 0.00 H new ATOM 0 HD2 LYS A 58 14.269 7.001 -5.283 1.00 0.00 H new ATOM 0 HD3 LYS A 58 14.596 6.244 -6.829 1.00 0.00 H new ATOM 0 HE2 LYS A 58 15.147 8.433 -7.337 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.460 8.430 -7.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.984 10.352 -6.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.874 9.357 -5.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.508 9.360 -5.186 1.00 0.00 H new ATOM 870 N ALA A 59 12.023 2.421 -4.274 1.00 0.00 N ATOM 871 CA ALA A 59 11.284 1.199 -3.981 1.00 0.00 C ATOM 872 C ALA A 59 10.414 1.368 -2.741 1.00 0.00 C ATOM 873 O ALA A 59 9.240 0.995 -2.738 1.00 0.00 O ATOM 874 CB ALA A 59 12.244 0.033 -3.801 1.00 0.00 C ATOM 0 H ALA A 59 12.987 2.270 -4.570 1.00 0.00 H new ATOM 0 HA ALA A 59 10.628 0.988 -4.826 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.679 -0.873 -3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.819 -0.109 -4.716 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.923 0.245 -2.975 1.00 0.00 H new ATOM 880 N VAL A 60 10.997 1.931 -1.687 1.00 0.00 N ATOM 881 CA VAL A 60 10.274 2.149 -0.439 1.00 0.00 C ATOM 882 C VAL A 60 8.843 2.603 -0.706 1.00 0.00 C ATOM 883 O VAL A 60 7.901 2.111 -0.086 1.00 0.00 O ATOM 884 CB VAL A 60 10.978 3.199 0.441 1.00 0.00 C ATOM 885 CG1 VAL A 60 10.163 3.478 1.694 1.00 0.00 C ATOM 886 CG2 VAL A 60 12.382 2.736 0.800 1.00 0.00 C ATOM 0 H VAL A 60 11.968 2.244 -1.672 1.00 0.00 H new ATOM 0 HA VAL A 60 10.258 1.195 0.089 1.00 0.00 H new ATOM 0 HB VAL A 60 11.059 4.127 -0.124 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.676 4.222 2.303 1.00 0.00 H new ATOM 0 HG12 VAL A 60 9.180 3.855 1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.048 2.557 2.266 1.00 0.00 H new ATOM 0 HG21 VAL A 60 12.866 3.489 1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.326 1.795 1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.962 2.592 -0.112 1.00 0.00 H new ATOM 896 N GLU A 61 8.689 3.543 -1.632 1.00 0.00 N ATOM 897 CA GLU A 61 7.371 4.063 -1.980 1.00 0.00 C ATOM 898 C GLU A 61 6.446 2.939 -2.437 1.00 0.00 C ATOM 899 O GLU A 61 5.359 2.753 -1.890 1.00 0.00 O ATOM 900 CB GLU A 61 7.490 5.120 -3.079 1.00 0.00 C ATOM 901 CG GLU A 61 6.244 5.976 -3.238 1.00 0.00 C ATOM 902 CD GLU A 61 6.423 7.083 -4.259 1.00 0.00 C ATOM 903 OE1 GLU A 61 7.269 7.973 -4.028 1.00 0.00 O ATOM 904 OE2 GLU A 61 5.717 7.059 -5.288 1.00 0.00 O ATOM 0 H GLU A 61 9.459 3.960 -2.155 1.00 0.00 H new ATOM 0 HA GLU A 61 6.943 4.522 -1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.339 5.767 -2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.704 4.625 -4.026 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.409 5.343 -3.537 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.983 6.414 -2.275 1.00 0.00 H new ATOM 911 N THR A 62 6.885 2.192 -3.445 1.00 0.00 N ATOM 912 CA THR A 62 6.098 1.088 -3.978 1.00 0.00 C ATOM 913 C THR A 62 5.620 0.165 -2.863 1.00 0.00 C ATOM 914 O THR A 62 4.504 -0.352 -2.907 1.00 0.00 O ATOM 915 CB THR A 62 6.904 0.265 -5.001 1.00 0.00 C ATOM 916 OG1 THR A 62 7.556 1.140 -5.928 1.00 0.00 O ATOM 917 CG2 THR A 62 5.999 -0.698 -5.755 1.00 0.00 C ATOM 0 H THR A 62 7.783 2.332 -3.909 1.00 0.00 H new ATOM 0 HA THR A 62 5.234 1.528 -4.477 1.00 0.00 H new ATOM 0 HB THR A 62 7.653 -0.314 -4.460 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.068 0.610 -6.574 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.591 -1.268 -6.471 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.527 -1.381 -5.049 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.230 -0.136 -6.285 1.00 0.00 H new ATOM 925 N PHE A 63 6.472 -0.038 -1.864 1.00 0.00 N ATOM 926 CA PHE A 63 6.136 -0.900 -0.736 1.00 0.00 C ATOM 927 C PHE A 63 5.207 -0.183 0.238 1.00 0.00 C ATOM 928 O PHE A 63 4.411 -0.816 0.932 1.00 0.00 O ATOM 929 CB PHE A 63 7.408 -1.345 -0.011 1.00 0.00 C ATOM 930 CG PHE A 63 7.161 -2.371 1.057 1.00 0.00 C ATOM 931 CD1 PHE A 63 6.810 -3.669 0.722 1.00 0.00 C ATOM 932 CD2 PHE A 63 7.279 -2.038 2.397 1.00 0.00 C ATOM 933 CE1 PHE A 63 6.583 -4.616 1.703 1.00 0.00 C ATOM 934 CE2 PHE A 63 7.053 -2.980 3.382 1.00 0.00 C ATOM 935 CZ PHE A 63 6.703 -4.271 3.035 1.00 0.00 C ATOM 0 H PHE A 63 7.400 0.382 -1.812 1.00 0.00 H new ATOM 0 HA PHE A 63 5.620 -1.779 -1.123 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.109 -1.752 -0.740 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.885 -0.473 0.437 1.00 0.00 H new ATOM 0 HD1 PHE A 63 6.713 -3.944 -0.318 1.00 0.00 H new ATOM 0 HD2 PHE A 63 7.551 -1.030 2.675 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.312 -5.625 1.428 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.150 -2.708 4.423 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.524 -5.008 3.803 1.00 0.00 H new ATOM 945 N GLN A 64 5.315 1.141 0.285 1.00 0.00 N ATOM 946 CA GLN A 64 4.485 1.944 1.176 1.00 0.00 C ATOM 947 C GLN A 64 3.045 1.997 0.677 1.00 0.00 C ATOM 948 O GLN A 64 2.102 2.025 1.468 1.00 0.00 O ATOM 949 CB GLN A 64 5.049 3.361 1.294 1.00 0.00 C ATOM 950 CG GLN A 64 6.166 3.488 2.318 1.00 0.00 C ATOM 951 CD GLN A 64 6.538 4.930 2.599 1.00 0.00 C ATOM 952 OE1 GLN A 64 7.223 5.573 1.803 1.00 0.00 O ATOM 953 NE2 GLN A 64 6.089 5.447 3.737 1.00 0.00 N ATOM 0 H GLN A 64 5.969 1.680 -0.283 1.00 0.00 H new ATOM 0 HA GLN A 64 4.493 1.475 2.160 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.423 3.677 0.320 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.242 4.043 1.562 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.858 3.008 3.247 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.045 2.953 1.959 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.524 4.878 4.368 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.309 6.413 3.980 1.00 0.00 H new ATOM 962 N LYS A 65 2.881 2.012 -0.642 1.00 0.00 N ATOM 963 CA LYS A 65 1.556 2.061 -1.248 1.00 0.00 C ATOM 964 C LYS A 65 0.947 0.666 -1.339 1.00 0.00 C ATOM 965 O LYS A 65 -0.272 0.514 -1.432 1.00 0.00 O ATOM 966 CB LYS A 65 1.634 2.687 -2.643 1.00 0.00 C ATOM 967 CG LYS A 65 1.885 1.677 -3.749 1.00 0.00 C ATOM 968 CD LYS A 65 2.352 2.354 -5.027 1.00 0.00 C ATOM 969 CE LYS A 65 2.819 1.338 -6.057 1.00 0.00 C ATOM 970 NZ LYS A 65 2.805 1.900 -7.436 1.00 0.00 N ATOM 0 H LYS A 65 3.650 1.991 -1.312 1.00 0.00 H new ATOM 0 HA LYS A 65 0.917 2.676 -0.615 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.702 3.214 -2.848 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.430 3.431 -2.654 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.636 0.957 -3.422 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.971 1.117 -3.946 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.539 2.948 -5.443 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.165 3.043 -4.799 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.828 1.008 -5.810 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.177 0.458 -6.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.130 1.177 -8.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.838 2.192 -7.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.438 2.724 -7.481 1.00 0.00 H new ATOM 984 N LEU A 66 1.801 -0.351 -1.309 1.00 0.00 N ATOM 985 CA LEU A 66 1.347 -1.735 -1.386 1.00 0.00 C ATOM 986 C LEU A 66 0.819 -2.211 -0.037 1.00 0.00 C ATOM 987 O LEU A 66 -0.211 -2.880 0.036 1.00 0.00 O ATOM 988 CB LEU A 66 2.488 -2.642 -1.849 1.00 0.00 C ATOM 989 CG LEU A 66 2.665 -2.780 -3.362 1.00 0.00 C ATOM 990 CD1 LEU A 66 4.049 -3.318 -3.691 1.00 0.00 C ATOM 991 CD2 LEU A 66 1.587 -3.682 -3.945 1.00 0.00 C ATOM 0 H LEU A 66 2.812 -0.243 -1.232 1.00 0.00 H new ATOM 0 HA LEU A 66 0.535 -1.785 -2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.419 -2.264 -1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.328 -3.636 -1.430 1.00 0.00 H new ATOM 0 HG LEU A 66 2.566 -1.792 -3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.156 -3.409 -4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.806 -2.634 -3.308 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.178 -4.297 -3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.729 -3.769 -5.022 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.654 -4.670 -3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.605 -3.254 -3.741 1.00 0.00 H new ATOM 1003 N GLN A 67 1.531 -1.858 1.029 1.00 0.00 N ATOM 1004 CA GLN A 67 1.133 -2.248 2.376 1.00 0.00 C ATOM 1005 C GLN A 67 -0.118 -1.493 2.814 1.00 0.00 C ATOM 1006 O GLN A 67 -0.986 -2.047 3.489 1.00 0.00 O ATOM 1007 CB GLN A 67 2.272 -1.987 3.363 1.00 0.00 C ATOM 1008 CG GLN A 67 2.510 -0.512 3.642 1.00 0.00 C ATOM 1009 CD GLN A 67 3.647 -0.278 4.617 1.00 0.00 C ATOM 1010 OE1 GLN A 67 4.559 -1.096 4.732 1.00 0.00 O ATOM 1011 NE2 GLN A 67 3.598 0.844 5.326 1.00 0.00 N ATOM 0 H GLN A 67 2.386 -1.303 0.985 1.00 0.00 H new ATOM 0 HA GLN A 67 0.907 -3.314 2.366 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.051 -2.495 4.302 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.189 -2.427 2.971 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.729 0.000 2.705 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.597 -0.070 4.041 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.823 1.494 5.198 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.336 1.055 5.998 1.00 0.00 H new ATOM 1020 N LYS A 68 -0.204 -0.226 2.426 1.00 0.00 N ATOM 1021 CA LYS A 68 -1.349 0.606 2.778 1.00 0.00 C ATOM 1022 C LYS A 68 -2.620 0.093 2.109 1.00 0.00 C ATOM 1023 O LYS A 68 -3.569 -0.306 2.782 1.00 0.00 O ATOM 1024 CB LYS A 68 -1.095 2.059 2.367 1.00 0.00 C ATOM 1025 CG LYS A 68 -0.410 2.884 3.443 1.00 0.00 C ATOM 1026 CD LYS A 68 -1.372 3.254 4.559 1.00 0.00 C ATOM 1027 CE LYS A 68 -2.341 4.342 4.121 1.00 0.00 C ATOM 1028 NZ LYS A 68 -3.202 4.804 5.245 1.00 0.00 N ATOM 0 H LYS A 68 0.506 0.248 1.867 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.483 0.558 3.859 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.482 2.071 1.466 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.046 2.527 2.112 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.428 2.322 3.855 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.001 3.791 3.000 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.931 2.370 4.867 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.809 3.595 5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.781 5.187 3.721 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.969 3.965 3.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.848 5.545 4.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.756 4.003 5.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.605 5.187 6.005 1.00 0.00 H new ATOM 1042 N ALA A 69 -2.631 0.106 0.780 1.00 0.00 N ATOM 1043 CA ALA A 69 -3.784 -0.362 0.021 1.00 0.00 C ATOM 1044 C ALA A 69 -4.214 -1.752 0.476 1.00 0.00 C ATOM 1045 O ALA A 69 -5.381 -1.977 0.800 1.00 0.00 O ATOM 1046 CB ALA A 69 -3.469 -0.366 -1.468 1.00 0.00 C ATOM 0 H ALA A 69 -1.854 0.436 0.207 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.611 0.324 0.205 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.339 -0.718 -2.023 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.218 0.645 -1.789 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.624 -1.028 -1.659 1.00 0.00 H new ATOM 1052 N LYS A 70 -3.266 -2.682 0.500 1.00 0.00 N ATOM 1053 CA LYS A 70 -3.546 -4.051 0.916 1.00 0.00 C ATOM 1054 C LYS A 70 -4.368 -4.071 2.201 1.00 0.00 C ATOM 1055 O LYS A 70 -5.253 -4.909 2.368 1.00 0.00 O ATOM 1056 CB LYS A 70 -2.239 -4.821 1.122 1.00 0.00 C ATOM 1057 CG LYS A 70 -2.353 -5.954 2.127 1.00 0.00 C ATOM 1058 CD LYS A 70 -2.236 -5.448 3.554 1.00 0.00 C ATOM 1059 CE LYS A 70 -1.628 -6.499 4.470 1.00 0.00 C ATOM 1060 NZ LYS A 70 -0.143 -6.392 4.528 1.00 0.00 N ATOM 0 H LYS A 70 -2.296 -2.512 0.236 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.124 -4.533 0.128 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.911 -5.227 0.165 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.467 -4.127 1.455 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.309 -6.462 1.997 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.573 -6.691 1.936 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.621 -4.548 3.573 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.222 -5.168 3.924 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.040 -6.388 5.473 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.907 -7.492 4.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.231 -7.103 5.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.254 -6.556 3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.124 -5.442 4.855 1.00 0.00 H new ATOM 1074 N GLU A 71 -4.069 -3.143 3.104 1.00 0.00 N ATOM 1075 CA GLU A 71 -4.781 -3.055 4.373 1.00 0.00 C ATOM 1076 C GLU A 71 -6.196 -2.521 4.167 1.00 0.00 C ATOM 1077 O GLU A 71 -7.173 -3.145 4.583 1.00 0.00 O ATOM 1078 CB GLU A 71 -4.021 -2.155 5.350 1.00 0.00 C ATOM 1079 CG GLU A 71 -4.598 -2.157 6.755 1.00 0.00 C ATOM 1080 CD GLU A 71 -4.018 -3.257 7.622 1.00 0.00 C ATOM 1081 OE1 GLU A 71 -2.840 -3.140 8.022 1.00 0.00 O ATOM 1082 OE2 GLU A 71 -4.741 -4.236 7.902 1.00 0.00 O ATOM 0 H GLU A 71 -3.339 -2.442 2.980 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.847 -4.059 4.793 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.981 -2.477 5.393 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.023 -1.134 4.967 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.407 -1.192 7.224 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.680 -2.276 6.699 1.00 0.00 H new ATOM 1089 N ILE A 72 -6.296 -1.362 3.524 1.00 0.00 N ATOM 1090 CA ILE A 72 -7.590 -0.744 3.262 1.00 0.00 C ATOM 1091 C ILE A 72 -8.537 -1.721 2.573 1.00 0.00 C ATOM 1092 O ILE A 72 -9.753 -1.661 2.759 1.00 0.00 O ATOM 1093 CB ILE A 72 -7.445 0.516 2.389 1.00 0.00 C ATOM 1094 CG1 ILE A 72 -6.495 1.516 3.052 1.00 0.00 C ATOM 1095 CG2 ILE A 72 -8.806 1.152 2.147 1.00 0.00 C ATOM 1096 CD1 ILE A 72 -7.032 2.098 4.340 1.00 0.00 C ATOM 0 H ILE A 72 -5.497 -0.833 3.175 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.006 -0.460 4.229 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.024 0.226 1.426 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.545 1.022 3.255 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.290 2.328 2.354 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.687 2.042 1.528 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.455 0.440 1.637 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.252 1.431 3.102 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.306 2.798 4.754 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.967 2.621 4.141 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.210 1.295 5.055 1.00 0.00 H new ATOM 1108 N LEU A 73 -7.971 -2.621 1.777 1.00 0.00 N ATOM 1109 CA LEU A 73 -8.764 -3.614 1.059 1.00 0.00 C ATOM 1110 C LEU A 73 -9.054 -4.822 1.944 1.00 0.00 C ATOM 1111 O LEU A 73 -10.211 -5.156 2.199 1.00 0.00 O ATOM 1112 CB LEU A 73 -8.034 -4.059 -0.209 1.00 0.00 C ATOM 1113 CG LEU A 73 -7.726 -2.961 -1.227 1.00 0.00 C ATOM 1114 CD1 LEU A 73 -6.779 -3.477 -2.299 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -9.010 -2.438 -1.853 1.00 0.00 C ATOM 0 H LEU A 73 -6.966 -2.684 1.612 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.713 -3.154 0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.095 -4.530 0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.635 -4.824 -0.701 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.238 -2.137 -0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.571 -2.681 -3.015 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.847 -3.801 -1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.239 -4.319 -2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.771 -1.657 -2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.527 -3.254 -2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.653 -2.028 -1.075 1.00 0.00 H new ATOM 1127 N THR A 74 -7.994 -5.474 2.413 1.00 0.00 N ATOM 1128 CA THR A 74 -8.134 -6.644 3.270 1.00 0.00 C ATOM 1129 C THR A 74 -9.325 -6.498 4.210 1.00 0.00 C ATOM 1130 O THR A 74 -10.127 -7.419 4.358 1.00 0.00 O ATOM 1131 CB THR A 74 -6.862 -6.884 4.106 1.00 0.00 C ATOM 1132 OG1 THR A 74 -6.418 -5.652 4.687 1.00 0.00 O ATOM 1133 CG2 THR A 74 -5.754 -7.473 3.247 1.00 0.00 C ATOM 0 H THR A 74 -7.029 -5.211 2.213 1.00 0.00 H new ATOM 0 HA THR A 74 -8.295 -7.499 2.613 1.00 0.00 H new ATOM 0 HB THR A 74 -7.102 -7.593 4.898 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.963 -4.913 4.343 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.866 -7.634 3.858 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.084 -8.424 2.829 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.516 -6.784 2.437 1.00 0.00 H new ATOM 1141 N ASN A 75 -9.435 -5.334 4.842 1.00 0.00 N ATOM 1142 CA ASN A 75 -10.530 -5.068 5.768 1.00 0.00 C ATOM 1143 C ASN A 75 -11.784 -4.630 5.016 1.00 0.00 C ATOM 1144 O ASN A 75 -11.768 -3.640 4.287 1.00 0.00 O ATOM 1145 CB ASN A 75 -10.124 -3.990 6.775 1.00 0.00 C ATOM 1146 CG ASN A 75 -9.477 -4.573 8.016 1.00 0.00 C ATOM 1147 OD1 ASN A 75 -9.802 -5.684 8.435 1.00 0.00 O ATOM 1148 ND2 ASN A 75 -8.556 -3.824 8.611 1.00 0.00 N ATOM 0 H ASN A 75 -8.780 -4.560 4.730 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.752 -5.991 6.303 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.432 -3.295 6.300 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.004 -3.416 7.063 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.087 -4.164 9.450 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.318 -2.909 8.229 1.00 0.00 H new ATOM 1155 N GLU A 76 -12.869 -5.376 5.201 1.00 0.00 N ATOM 1156 CA GLU A 76 -14.131 -5.065 4.540 1.00 0.00 C ATOM 1157 C GLU A 76 -14.699 -3.743 5.048 1.00 0.00 C ATOM 1158 O GLU A 76 -15.379 -3.026 4.315 1.00 0.00 O ATOM 1159 CB GLU A 76 -15.143 -6.190 4.769 1.00 0.00 C ATOM 1160 CG GLU A 76 -14.914 -7.404 3.885 1.00 0.00 C ATOM 1161 CD GLU A 76 -15.524 -8.667 4.459 1.00 0.00 C ATOM 1162 OE1 GLU A 76 -16.769 -8.767 4.481 1.00 0.00 O ATOM 1163 OE2 GLU A 76 -14.758 -9.556 4.887 1.00 0.00 O ATOM 0 H GLU A 76 -12.899 -6.199 5.803 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.939 -4.971 3.471 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.100 -6.499 5.814 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.147 -5.806 4.591 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.338 -7.216 2.899 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -13.843 -7.552 3.748 1.00 0.00 H new ATOM 1170 N GLU A 77 -14.416 -3.429 6.308 1.00 0.00 N ATOM 1171 CA GLU A 77 -14.900 -2.194 6.915 1.00 0.00 C ATOM 1172 C GLU A 77 -14.254 -0.977 6.260 1.00 0.00 C ATOM 1173 O GLU A 77 -14.943 -0.062 5.810 1.00 0.00 O ATOM 1174 CB GLU A 77 -14.614 -2.191 8.418 1.00 0.00 C ATOM 1175 CG GLU A 77 -13.132 -2.157 8.755 1.00 0.00 C ATOM 1176 CD GLU A 77 -12.866 -2.356 10.234 1.00 0.00 C ATOM 1177 OE1 GLU A 77 -12.856 -1.350 10.975 1.00 0.00 O ATOM 1178 OE2 GLU A 77 -12.667 -3.516 10.651 1.00 0.00 O ATOM 0 H GLU A 77 -13.854 -4.012 6.928 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.977 -2.140 6.758 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.101 -1.327 8.870 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.060 -3.079 8.866 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.617 -2.933 8.189 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.713 -1.201 8.440 1.00 0.00 H new ATOM 1185 N SER A 78 -12.926 -0.973 6.212 1.00 0.00 N ATOM 1186 CA SER A 78 -12.185 0.133 5.617 1.00 0.00 C ATOM 1187 C SER A 78 -12.478 0.242 4.123 1.00 0.00 C ATOM 1188 O SER A 78 -12.738 1.329 3.608 1.00 0.00 O ATOM 1189 CB SER A 78 -10.683 -0.052 5.841 1.00 0.00 C ATOM 1190 OG SER A 78 -10.284 -1.380 5.552 1.00 0.00 O ATOM 0 H SER A 78 -12.341 -1.724 6.578 1.00 0.00 H new ATOM 0 HA SER A 78 -12.506 1.055 6.101 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.130 0.643 5.209 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.434 0.189 6.874 1.00 0.00 H new ATOM 0 HG SER A 78 -10.106 -1.467 4.592 1.00 0.00 H new ATOM 1196 N ARG A 79 -12.434 -0.894 3.434 1.00 0.00 N ATOM 1197 CA ARG A 79 -12.694 -0.927 2.000 1.00 0.00 C ATOM 1198 C ARG A 79 -14.076 -0.364 1.684 1.00 0.00 C ATOM 1199 O ARG A 79 -14.221 0.510 0.830 1.00 0.00 O ATOM 1200 CB ARG A 79 -12.581 -2.359 1.473 1.00 0.00 C ATOM 1201 CG ARG A 79 -13.091 -2.526 0.051 1.00 0.00 C ATOM 1202 CD ARG A 79 -13.456 -3.973 -0.244 1.00 0.00 C ATOM 1203 NE ARG A 79 -12.323 -4.725 -0.777 1.00 0.00 N ATOM 1204 CZ ARG A 79 -12.442 -5.900 -1.385 1.00 0.00 C ATOM 1205 NH1 ARG A 79 -13.637 -6.454 -1.537 1.00 0.00 N ATOM 1206 NH2 ARG A 79 -11.364 -6.524 -1.843 1.00 0.00 N ATOM 0 H ARG A 79 -12.221 -1.803 3.845 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.947 -0.305 1.506 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -11.538 -2.671 1.515 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -13.140 -3.025 2.131 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.964 -1.891 -0.100 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.328 -2.192 -0.652 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -13.811 -4.451 0.669 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -14.278 -4.001 -0.959 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.390 -4.326 -0.677 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -14.468 -5.978 -1.187 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.725 -7.356 -2.004 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.443 -6.101 -1.728 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.457 -7.426 -2.310 1.00 0.00 H new ATOM 1220 N ALA A 80 -15.089 -0.873 2.378 1.00 0.00 N ATOM 1221 CA ALA A 80 -16.459 -0.420 2.173 1.00 0.00 C ATOM 1222 C ALA A 80 -16.522 1.097 2.036 1.00 0.00 C ATOM 1223 O ALA A 80 -17.214 1.623 1.165 1.00 0.00 O ATOM 1224 CB ALA A 80 -17.346 -0.885 3.319 1.00 0.00 C ATOM 0 H ALA A 80 -14.986 -1.599 3.087 1.00 0.00 H new ATOM 0 HA ALA A 80 -16.824 -0.858 1.244 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -18.366 -0.539 3.153 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -17.335 -1.974 3.369 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -16.973 -0.475 4.257 1.00 0.00 H new ATOM 1230 N ARG A 81 -15.794 1.796 2.901 1.00 0.00 N ATOM 1231 CA ARG A 81 -15.769 3.253 2.878 1.00 0.00 C ATOM 1232 C ARG A 81 -15.119 3.764 1.595 1.00 0.00 C ATOM 1233 O ARG A 81 -15.596 4.722 0.985 1.00 0.00 O ATOM 1234 CB ARG A 81 -15.013 3.791 4.094 1.00 0.00 C ATOM 1235 CG ARG A 81 -15.759 3.606 5.405 1.00 0.00 C ATOM 1236 CD ARG A 81 -16.856 4.646 5.574 1.00 0.00 C ATOM 1237 NE ARG A 81 -17.516 4.539 6.872 1.00 0.00 N ATOM 1238 CZ ARG A 81 -18.652 5.160 7.172 1.00 0.00 C ATOM 1239 NH1 ARG A 81 -19.250 5.927 6.271 1.00 0.00 N ATOM 1240 NH2 ARG A 81 -19.192 5.013 8.375 1.00 0.00 N ATOM 0 H ARG A 81 -15.213 1.376 3.627 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.798 3.610 2.912 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.047 3.290 4.161 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -14.812 4.852 3.946 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.195 2.607 5.439 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -15.058 3.677 6.237 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -16.430 5.643 5.465 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.594 4.526 4.781 1.00 0.00 H new ATOM 0 HE ARG A 81 -17.082 3.956 7.587 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -18.838 6.042 5.345 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -20.122 6.402 6.504 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -18.735 4.423 9.070 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -20.064 5.490 8.604 1.00 0.00 H new ATOM 1254 N TYR A 82 -14.029 3.121 1.192 1.00 0.00 N ATOM 1255 CA TYR A 82 -13.313 3.512 -0.016 1.00 0.00 C ATOM 1256 C TYR A 82 -14.251 3.548 -1.218 1.00 0.00 C ATOM 1257 O TYR A 82 -14.366 4.566 -1.900 1.00 0.00 O ATOM 1258 CB TYR A 82 -12.158 2.546 -0.284 1.00 0.00 C ATOM 1259 CG TYR A 82 -11.180 3.045 -1.323 1.00 0.00 C ATOM 1260 CD1 TYR A 82 -10.353 4.131 -1.062 1.00 0.00 C ATOM 1261 CD2 TYR A 82 -11.082 2.432 -2.566 1.00 0.00 C ATOM 1262 CE1 TYR A 82 -9.458 4.592 -2.008 1.00 0.00 C ATOM 1263 CE2 TYR A 82 -10.189 2.885 -3.518 1.00 0.00 C ATOM 1264 CZ TYR A 82 -9.380 3.965 -3.234 1.00 0.00 C ATOM 1265 OH TYR A 82 -8.490 4.420 -4.180 1.00 0.00 O ATOM 0 H TYR A 82 -13.622 2.326 1.685 1.00 0.00 H new ATOM 0 HA TYR A 82 -12.912 4.514 0.138 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.623 2.365 0.648 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.564 1.589 -0.610 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -10.411 4.623 -0.102 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -11.715 1.587 -2.792 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -8.823 5.438 -1.789 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.125 2.396 -4.479 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.574 4.261 -3.870 1.00 0.00 H new ATOM 1275 N ASP A 83 -14.921 2.428 -1.471 1.00 0.00 N ATOM 1276 CA ASP A 83 -15.851 2.330 -2.589 1.00 0.00 C ATOM 1277 C ASP A 83 -16.851 3.482 -2.567 1.00 0.00 C ATOM 1278 O ASP A 83 -17.108 4.115 -3.591 1.00 0.00 O ATOM 1279 CB ASP A 83 -16.593 0.993 -2.548 1.00 0.00 C ATOM 1280 CG ASP A 83 -15.665 -0.190 -2.743 1.00 0.00 C ATOM 1281 OD1 ASP A 83 -15.191 -0.390 -3.881 1.00 0.00 O ATOM 1282 OD2 ASP A 83 -15.413 -0.915 -1.758 1.00 0.00 O ATOM 0 H ASP A 83 -14.837 1.576 -0.917 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.276 2.389 -3.513 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -17.106 0.895 -1.591 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -17.359 0.982 -3.323 1.00 0.00 H new ATOM 1287 N HIS A 84 -17.415 3.747 -1.392 1.00 0.00 N ATOM 1288 CA HIS A 84 -18.388 4.822 -1.237 1.00 0.00 C ATOM 1289 C HIS A 84 -17.822 6.145 -1.744 1.00 0.00 C ATOM 1290 O HIS A 84 -18.469 6.853 -2.516 1.00 0.00 O ATOM 1291 CB HIS A 84 -18.798 4.958 0.230 1.00 0.00 C ATOM 1292 CG HIS A 84 -19.630 6.173 0.509 1.00 0.00 C ATOM 1293 ND1 HIS A 84 -19.293 7.376 1.029 1.00 0.00 N flip ATOM 1294 CD2 HIS A 84 -20.983 6.234 0.249 1.00 0.00 C flip ATOM 1295 CE1 HIS A 84 -20.436 8.135 1.073 1.00 0.00 C flip ATOM 1296 NE2 HIS A 84 -21.442 7.423 0.597 1.00 0.00 N flip ATOM 0 H HIS A 84 -17.215 3.232 -0.535 1.00 0.00 H new ATOM 0 HA HIS A 84 -19.267 4.572 -1.831 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -19.356 4.070 0.527 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -17.901 4.992 0.848 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -18.363 7.665 1.332 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -21.575 5.435 -0.173 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -20.502 9.149 1.438 1.00 0.00 H new ATOM 1304 N TRP A 85 -16.612 6.472 -1.305 1.00 0.00 N ATOM 1305 CA TRP A 85 -15.959 7.711 -1.714 1.00 0.00 C ATOM 1306 C TRP A 85 -15.791 7.762 -3.229 1.00 0.00 C ATOM 1307 O TRP A 85 -15.802 8.838 -3.827 1.00 0.00 O ATOM 1308 CB TRP A 85 -14.597 7.843 -1.032 1.00 0.00 C ATOM 1309 CG TRP A 85 -13.766 8.964 -1.578 1.00 0.00 C ATOM 1310 CD1 TRP A 85 -13.620 10.212 -1.043 1.00 0.00 C ATOM 1311 CD2 TRP A 85 -12.968 8.940 -2.766 1.00 0.00 C ATOM 1312 NE1 TRP A 85 -12.780 10.965 -1.827 1.00 0.00 N ATOM 1313 CE2 TRP A 85 -12.365 10.207 -2.890 1.00 0.00 C ATOM 1314 CE3 TRP A 85 -12.702 7.970 -3.737 1.00 0.00 C ATOM 1315 CZ2 TRP A 85 -11.516 10.527 -3.945 1.00 0.00 C ATOM 1316 CZ3 TRP A 85 -11.858 8.290 -4.784 1.00 0.00 C ATOM 1317 CH2 TRP A 85 -11.273 9.559 -4.881 1.00 0.00 C ATOM 0 H TRP A 85 -16.063 5.897 -0.666 1.00 0.00 H new ATOM 0 HA TRP A 85 -16.592 8.545 -1.409 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -14.747 7.998 0.036 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -14.050 6.907 -1.144 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -14.095 10.556 -0.136 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -12.509 11.932 -1.647 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -13.148 6.989 -3.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -11.065 11.505 -4.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -11.646 7.549 -5.540 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -10.617 9.778 -5.711 1.00 0.00 H new ATOM 1328 N ARG A 86 -15.635 6.594 -3.843 1.00 0.00 N ATOM 1329 CA ARG A 86 -15.464 6.507 -5.288 1.00 0.00 C ATOM 1330 C ARG A 86 -16.760 6.859 -6.012 1.00 0.00 C ATOM 1331 O ARG A 86 -16.784 7.744 -6.867 1.00 0.00 O ATOM 1332 CB ARG A 86 -15.011 5.101 -5.686 1.00 0.00 C ATOM 1333 CG ARG A 86 -13.610 4.755 -5.208 1.00 0.00 C ATOM 1334 CD ARG A 86 -12.950 3.729 -6.116 1.00 0.00 C ATOM 1335 NE ARG A 86 -11.496 3.869 -6.135 1.00 0.00 N ATOM 1336 CZ ARG A 86 -10.699 3.153 -6.919 1.00 0.00 C ATOM 1337 NH1 ARG A 86 -11.211 2.250 -7.744 1.00 0.00 N ATOM 1338 NH2 ARG A 86 -9.385 3.338 -6.879 1.00 0.00 N ATOM 0 H ARG A 86 -15.624 5.695 -3.362 1.00 0.00 H new ATOM 0 HA ARG A 86 -14.698 7.225 -5.581 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -15.714 4.373 -5.281 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -15.048 5.010 -6.772 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -13.002 5.659 -5.176 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.657 4.366 -4.191 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.213 2.726 -5.781 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.338 3.839 -7.129 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.070 4.555 -5.512 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.220 2.104 -7.778 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.596 1.702 -8.345 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.987 4.031 -6.245 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -8.774 2.787 -7.482 1.00 0.00 H new ATOM 1352 N ARG A 87 -17.835 6.161 -5.662 1.00 0.00 N ATOM 1353 CA ARG A 87 -19.135 6.398 -6.279 1.00 0.00 C ATOM 1354 C ARG A 87 -19.533 7.866 -6.159 1.00 0.00 C ATOM 1355 O ARG A 87 -20.341 8.367 -6.942 1.00 0.00 O ATOM 1356 CB ARG A 87 -20.201 5.514 -5.630 1.00 0.00 C ATOM 1357 CG ARG A 87 -20.027 4.034 -5.926 1.00 0.00 C ATOM 1358 CD ARG A 87 -21.291 3.250 -5.609 1.00 0.00 C ATOM 1359 NE ARG A 87 -22.324 3.446 -6.623 1.00 0.00 N ATOM 1360 CZ ARG A 87 -23.428 2.710 -6.699 1.00 0.00 C ATOM 1361 NH1 ARG A 87 -23.641 1.736 -5.825 1.00 0.00 N ATOM 1362 NH2 ARG A 87 -24.322 2.949 -7.650 1.00 0.00 N ATOM 0 H ARG A 87 -17.832 5.426 -4.954 1.00 0.00 H new ATOM 0 HA ARG A 87 -19.059 6.145 -7.336 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -20.178 5.665 -4.551 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -21.185 5.832 -5.976 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -19.768 3.900 -6.976 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -19.197 3.640 -5.340 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -21.051 2.189 -5.536 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -21.674 3.558 -4.636 1.00 0.00 H new ATOM 0 HE ARG A 87 -22.191 4.188 -7.310 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -22.957 1.550 -5.092 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -24.489 1.173 -5.886 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -24.162 3.698 -8.324 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -25.169 2.384 -7.707 1.00 0.00 H new ATOM 1376 N SER A 88 -18.962 8.551 -5.173 1.00 0.00 N ATOM 1377 CA SER A 88 -19.261 9.960 -4.948 1.00 0.00 C ATOM 1378 C SER A 88 -18.215 10.850 -5.612 1.00 0.00 C ATOM 1379 O SER A 88 -18.409 12.058 -5.747 1.00 0.00 O ATOM 1380 CB SER A 88 -19.322 10.256 -3.448 1.00 0.00 C ATOM 1381 OG SER A 88 -20.588 9.914 -2.911 1.00 0.00 O ATOM 0 H SER A 88 -18.290 8.153 -4.517 1.00 0.00 H new ATOM 0 HA SER A 88 -20.232 10.176 -5.394 1.00 0.00 H new ATOM 0 HB2 SER A 88 -18.542 9.697 -2.932 1.00 0.00 H new ATOM 0 HB3 SER A 88 -19.124 11.314 -3.275 1.00 0.00 H new ATOM 0 HG SER A 88 -20.600 10.111 -1.951 1.00 0.00 H new ATOM 1387 N GLN A 89 -17.106 10.244 -6.023 1.00 0.00 N ATOM 1388 CA GLN A 89 -16.028 10.981 -6.672 1.00 0.00 C ATOM 1389 C GLN A 89 -15.840 12.351 -6.027 1.00 0.00 C ATOM 1390 O GLN A 89 -15.789 13.370 -6.715 1.00 0.00 O ATOM 1391 CB GLN A 89 -16.320 11.143 -8.164 1.00 0.00 C ATOM 1392 CG GLN A 89 -16.397 9.824 -8.916 1.00 0.00 C ATOM 1393 CD GLN A 89 -17.762 9.173 -8.812 1.00 0.00 C ATOM 1394 OE1 GLN A 89 -18.750 9.825 -8.472 1.00 0.00 O ATOM 1395 NE2 GLN A 89 -17.825 7.880 -9.107 1.00 0.00 N ATOM 0 H GLN A 89 -16.930 9.245 -5.918 1.00 0.00 H new ATOM 0 HA GLN A 89 -15.107 10.412 -6.549 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -17.263 11.676 -8.285 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -15.543 11.763 -8.612 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -16.159 9.994 -9.966 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -15.642 9.142 -8.524 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -16.981 7.378 -9.384 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -18.717 7.388 -9.056 1.00 0.00 H new ATOM 1404 N MET A 90 -15.738 12.366 -4.702 1.00 0.00 N ATOM 1405 CA MET A 90 -15.555 13.611 -3.964 1.00 0.00 C ATOM 1406 C MET A 90 -14.378 14.404 -4.521 1.00 0.00 C ATOM 1407 O MET A 90 -13.450 13.835 -5.097 1.00 0.00 O ATOM 1408 CB MET A 90 -15.332 13.320 -2.479 1.00 0.00 C ATOM 1409 CG MET A 90 -16.453 12.516 -1.842 1.00 0.00 C ATOM 1410 SD MET A 90 -17.866 13.537 -1.382 1.00 0.00 S ATOM 1411 CE MET A 90 -18.557 12.573 -0.039 1.00 0.00 C ATOM 0 H MET A 90 -15.779 11.531 -4.118 1.00 0.00 H new ATOM 0 HA MET A 90 -16.459 14.209 -4.078 1.00 0.00 H new ATOM 0 HB2 MET A 90 -14.394 12.777 -2.360 1.00 0.00 H new ATOM 0 HB3 MET A 90 -15.224 14.264 -1.945 1.00 0.00 H new ATOM 0 HG2 MET A 90 -16.780 11.742 -2.537 1.00 0.00 H new ATOM 0 HG3 MET A 90 -16.072 12.009 -0.956 1.00 0.00 H new ATOM 0 HE1 MET A 90 -19.441 13.076 0.353 1.00 0.00 H new ATOM 0 HE2 MET A 90 -18.834 11.585 -0.406 1.00 0.00 H new ATOM 0 HE3 MET A 90 -17.816 12.471 0.754 1.00 0.00 H new ATOM 1421 N SER A 91 -14.422 15.721 -4.346 1.00 0.00 N ATOM 1422 CA SER A 91 -13.360 16.593 -4.836 1.00 0.00 C ATOM 1423 C SER A 91 -12.021 16.225 -4.206 1.00 0.00 C ATOM 1424 O SER A 91 -11.009 16.108 -4.896 1.00 0.00 O ATOM 1425 CB SER A 91 -13.693 18.056 -4.534 1.00 0.00 C ATOM 1426 OG SER A 91 -12.815 18.931 -5.221 1.00 0.00 O ATOM 0 H SER A 91 -15.181 16.208 -3.869 1.00 0.00 H new ATOM 0 HA SER A 91 -13.283 16.460 -5.915 1.00 0.00 H new ATOM 0 HB2 SER A 91 -14.722 18.266 -4.826 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.623 18.234 -3.461 1.00 0.00 H new ATOM 0 HG SER A 91 -13.049 19.859 -5.013 1.00 0.00 H new ATOM 1432 N MET A 92 -12.023 16.043 -2.889 1.00 0.00 N ATOM 1433 CA MET A 92 -10.809 15.687 -2.165 1.00 0.00 C ATOM 1434 C MET A 92 -10.522 14.194 -2.286 1.00 0.00 C ATOM 1435 O MET A 92 -11.419 13.382 -2.513 1.00 0.00 O ATOM 1436 CB MET A 92 -10.936 16.076 -0.691 1.00 0.00 C ATOM 1437 CG MET A 92 -11.513 14.973 0.181 1.00 0.00 C ATOM 1438 SD MET A 92 -13.246 14.635 -0.184 1.00 0.00 S ATOM 1439 CE MET A 92 -14.008 15.034 1.388 1.00 0.00 C ATOM 0 H MET A 92 -12.852 16.136 -2.302 1.00 0.00 H new ATOM 0 HA MET A 92 -9.978 16.236 -2.608 1.00 0.00 H new ATOM 0 HB2 MET A 92 -9.953 16.352 -0.310 1.00 0.00 H new ATOM 0 HB3 MET A 92 -11.568 16.960 -0.610 1.00 0.00 H new ATOM 0 HG2 MET A 92 -10.932 14.062 0.040 1.00 0.00 H new ATOM 0 HG3 MET A 92 -11.415 15.255 1.229 1.00 0.00 H new ATOM 0 HE1 MET A 92 -15.084 14.875 1.321 1.00 0.00 H new ATOM 0 HE2 MET A 92 -13.594 14.393 2.166 1.00 0.00 H new ATOM 0 HE3 MET A 92 -13.810 16.077 1.634 1.00 0.00 H new ATOM 1449 N PRO A 93 -9.243 13.821 -2.130 1.00 0.00 N ATOM 1450 CA PRO A 93 -8.809 12.423 -2.218 1.00 0.00 C ATOM 1451 C PRO A 93 -9.298 11.590 -1.038 1.00 0.00 C ATOM 1452 O PRO A 93 -9.557 12.119 0.043 1.00 0.00 O ATOM 1453 CB PRO A 93 -7.282 12.525 -2.205 1.00 0.00 C ATOM 1454 CG PRO A 93 -6.993 13.807 -1.504 1.00 0.00 C ATOM 1455 CD PRO A 93 -8.122 14.735 -1.857 1.00 0.00 C ATOM 0 HA PRO A 93 -9.209 11.926 -3.102 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.833 11.679 -1.684 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.877 12.527 -3.217 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.933 13.658 -0.426 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.035 14.219 -1.822 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.351 15.418 -1.039 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.882 15.347 -2.726 1.00 0.00 H new ATOM 1463 N PHE A 94 -9.421 10.284 -1.253 1.00 0.00 N ATOM 1464 CA PHE A 94 -9.879 9.378 -0.207 1.00 0.00 C ATOM 1465 C PHE A 94 -9.173 9.669 1.114 1.00 0.00 C ATOM 1466 O PHE A 94 -9.808 9.746 2.165 1.00 0.00 O ATOM 1467 CB PHE A 94 -9.635 7.924 -0.619 1.00 0.00 C ATOM 1468 CG PHE A 94 -9.989 6.930 0.450 1.00 0.00 C ATOM 1469 CD1 PHE A 94 -11.314 6.657 0.748 1.00 0.00 C ATOM 1470 CD2 PHE A 94 -8.997 6.270 1.156 1.00 0.00 C ATOM 1471 CE1 PHE A 94 -11.642 5.743 1.732 1.00 0.00 C ATOM 1472 CE2 PHE A 94 -9.319 5.355 2.141 1.00 0.00 C ATOM 1473 CZ PHE A 94 -10.644 5.090 2.428 1.00 0.00 C ATOM 0 H PHE A 94 -9.210 9.830 -2.142 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.949 9.535 -0.069 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -10.218 7.706 -1.514 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.585 7.801 -0.884 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.099 7.163 0.206 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.960 6.473 0.934 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -12.679 5.540 1.956 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -8.536 4.848 2.685 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.899 4.374 3.195 1.00 0.00 H new ATOM 1483 N GLN A 95 -7.855 9.830 1.050 1.00 0.00 N ATOM 1484 CA GLN A 95 -7.061 10.112 2.240 1.00 0.00 C ATOM 1485 C GLN A 95 -7.763 11.130 3.134 1.00 0.00 C ATOM 1486 O GLN A 95 -8.083 10.840 4.286 1.00 0.00 O ATOM 1487 CB GLN A 95 -5.678 10.631 1.845 1.00 0.00 C ATOM 1488 CG GLN A 95 -4.790 9.574 1.209 1.00 0.00 C ATOM 1489 CD GLN A 95 -3.996 8.786 2.232 1.00 0.00 C ATOM 1490 OE1 GLN A 95 -2.806 9.029 2.433 1.00 0.00 O ATOM 1491 NE2 GLN A 95 -4.652 7.834 2.886 1.00 0.00 N ATOM 0 H GLN A 95 -7.315 9.770 0.187 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.947 9.183 2.798 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -5.796 11.461 1.149 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -5.181 11.026 2.731 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.407 8.889 0.627 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.103 10.054 0.512 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -5.638 7.666 2.688 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.169 7.271 3.586 1.00 0.00 H new ATOM 1500 N GLN A 96 -7.998 12.321 2.594 1.00 0.00 N ATOM 1501 CA GLN A 96 -8.661 13.382 3.344 1.00 0.00 C ATOM 1502 C GLN A 96 -9.960 12.879 3.964 1.00 0.00 C ATOM 1503 O GLN A 96 -10.109 12.861 5.186 1.00 0.00 O ATOM 1504 CB GLN A 96 -8.946 14.578 2.433 1.00 0.00 C ATOM 1505 CG GLN A 96 -9.809 15.646 3.085 1.00 0.00 C ATOM 1506 CD GLN A 96 -9.066 16.426 4.151 1.00 0.00 C ATOM 1507 OE1 GLN A 96 -7.837 16.387 4.223 1.00 0.00 O ATOM 1508 NE2 GLN A 96 -9.809 17.141 4.988 1.00 0.00 N ATOM 0 H GLN A 96 -7.740 12.576 1.641 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.994 13.697 4.147 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.000 15.024 2.126 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -9.441 14.225 1.528 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.168 16.335 2.320 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -10.687 15.177 3.529 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -10.825 17.145 4.892 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.364 17.686 5.726 1.00 0.00 H new ATOM 1517 N TRP A 97 -10.897 12.473 3.115 1.00 0.00 N ATOM 1518 CA TRP A 97 -12.184 11.970 3.581 1.00 0.00 C ATOM 1519 C TRP A 97 -12.003 11.016 4.756 1.00 0.00 C ATOM 1520 O TRP A 97 -12.544 11.241 5.838 1.00 0.00 O ATOM 1521 CB TRP A 97 -12.921 11.263 2.442 1.00 0.00 C ATOM 1522 CG TRP A 97 -14.296 10.800 2.821 1.00 0.00 C ATOM 1523 CD1 TRP A 97 -15.335 11.579 3.243 1.00 0.00 C ATOM 1524 CD2 TRP A 97 -14.778 9.452 2.815 1.00 0.00 C ATOM 1525 NE1 TRP A 97 -16.435 10.796 3.499 1.00 0.00 N ATOM 1526 CE2 TRP A 97 -16.119 9.487 3.243 1.00 0.00 C ATOM 1527 CE3 TRP A 97 -14.208 8.219 2.486 1.00 0.00 C ATOM 1528 CZ2 TRP A 97 -16.896 8.337 3.352 1.00 0.00 C ATOM 1529 CZ3 TRP A 97 -14.981 7.078 2.595 1.00 0.00 C ATOM 1530 CH2 TRP A 97 -16.313 7.144 3.024 1.00 0.00 C ATOM 0 H TRP A 97 -10.790 12.482 2.101 1.00 0.00 H new ATOM 0 HA TRP A 97 -12.778 12.820 3.916 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -12.995 11.940 1.591 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -12.333 10.405 2.116 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -15.298 12.652 3.359 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -17.340 11.134 3.826 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -13.182 8.159 2.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -17.923 8.385 3.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -14.551 6.119 2.345 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -16.891 6.235 3.097 1.00 0.00 H new ATOM 1541 N GLU A 98 -11.240 9.950 4.536 1.00 0.00 N ATOM 1542 CA GLU A 98 -10.989 8.962 5.578 1.00 0.00 C ATOM 1543 C GLU A 98 -10.883 9.629 6.946 1.00 0.00 C ATOM 1544 O GLU A 98 -11.569 9.242 7.892 1.00 0.00 O ATOM 1545 CB GLU A 98 -9.706 8.185 5.277 1.00 0.00 C ATOM 1546 CG GLU A 98 -9.715 6.763 5.814 1.00 0.00 C ATOM 1547 CD GLU A 98 -9.609 6.710 7.325 1.00 0.00 C ATOM 1548 OE1 GLU A 98 -8.818 7.492 7.892 1.00 0.00 O ATOM 1549 OE2 GLU A 98 -10.318 5.887 7.941 1.00 0.00 O ATOM 0 H GLU A 98 -10.785 9.749 3.646 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.830 8.268 5.595 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -9.554 8.156 4.198 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -8.858 8.720 5.704 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.633 6.266 5.500 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.886 6.208 5.376 1.00 0.00 H new