USER MOD reduce.3.24.130724 H: found=0, std=0, add=1054, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1050 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 462 LYS NZ :NH3+ 141:sc= 0.128 (180deg=-0.191) USER MOD Set 1.2: B 426 GLN : amide:sc= -0.0414 K(o=0.086,f=-1.3!) USER MOD Set 2.1: A 426 GLN : amide:sc= -0.0111 K(o=0.11,f=-1.1!) USER MOD Set 2.2: B 462 LYS NZ :NH3+ 145:sc= 0.121 (180deg=-0.185) USER MOD Single : A 404 THR OG1 : rot 180:sc= 0.0949 USER MOD Single : A 408 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 416 SER OG : rot 7:sc= 0.424 USER MOD Single : A 418 HIS : no HD1:sc= -2.02! C(o=-2!,f=-4.3!) USER MOD Single : A 419 GLN :FLIP amide:sc= -0.157 F(o=-0.77,f=-0.16) USER MOD Single : A 420 ASN : amide:sc= -0.25 K(o=-0.25,f=-2) USER MOD Single : A 423 SER OG : rot 180:sc= 0 USER MOD Single : A 432 THR OG1 : rot 87:sc= 0.746 USER MOD Single : A 435 THR OG1 : rot 84:sc= 0.949 USER MOD Single : A 436 THR OG1 : rot 105:sc= 1 USER MOD Single : A 440 HIS : no HD1:sc= -0.0508 X(o=-0.051,f=-0.032) USER MOD Single : A 441 THR OG1 : rot 69:sc= 0.322 USER MOD Single : A 442 GLN : amide:sc= -0.124 K(o=-0.12,f=-2.8!) USER MOD Single : A 444 HIS : no HD1:sc= -2.29! X(o=-2.3!,f=-1.9) USER MOD Single : A 445 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 446 GLN : amide:sc= -0.334 K(o=-0.33,f=-3.3!) USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 460 THR OG1 : rot 96:sc= 0.723 USER MOD Single : A 464 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 404 THR OG1 : rot 180:sc= 0.0594 USER MOD Single : B 408 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 416 SER OG : rot 7:sc= 0.33 USER MOD Single : B 418 HIS : no HD1:sc= -1.97! C(o=-2!,f=-4.3!) USER MOD Single : B 419 GLN :FLIP amide:sc= -0.166 F(o=-0.77,f=-0.17) USER MOD Single : B 420 ASN : amide:sc= -0.263 K(o=-0.26,f=-1.9!) USER MOD Single : B 423 SER OG : rot 180:sc= 0 USER MOD Single : B 432 THR OG1 : rot 88:sc= 0.786 USER MOD Single : B 435 THR OG1 : rot 83:sc= 0.969 USER MOD Single : B 436 THR OG1 : rot 94:sc= 1.02 USER MOD Single : B 440 HIS : no HD1:sc= -0.041 X(o=-0.041,f=-0.03) USER MOD Single : B 441 THR OG1 : rot 69:sc= 0.267 USER MOD Single : B 442 GLN : amide:sc= -0.111 K(o=-0.11,f=-2.8!) USER MOD Single : B 444 HIS : no HD1:sc= -2.32! X(o=-2.3!,f=-1.9) USER MOD Single : B 445 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 446 GLN : amide:sc= -0.33 K(o=-0.33,f=-3.4!) USER MOD Single : B 458 THR OG1 : rot 180:sc= 0 USER MOD Single : B 460 THR OG1 : rot 95:sc= 0.706 USER MOD Single : B 464 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 325 N TRP A 402 6.249 2.811 1.808 1.00 0.95 N ATOM 326 CA TRP A 402 4.915 2.947 1.147 1.00 0.86 C ATOM 327 C TRP A 402 3.998 3.906 1.912 1.00 0.79 C ATOM 328 O TRP A 402 3.696 4.983 1.444 1.00 0.71 O ATOM 329 CB TRP A 402 4.329 1.538 1.161 1.00 0.96 C ATOM 330 CG TRP A 402 3.746 1.245 -0.178 1.00 0.84 C ATOM 331 CD1 TRP A 402 4.437 0.750 -1.226 1.00 0.94 C ATOM 332 CD2 TRP A 402 2.376 1.430 -0.632 1.00 0.76 C ATOM 333 NE1 TRP A 402 3.579 0.612 -2.306 1.00 1.00 N ATOM 334 CE2 TRP A 402 2.296 1.017 -1.993 1.00 0.83 C ATOM 335 CE3 TRP A 402 1.199 1.912 -0.003 1.00 0.78 C ATOM 336 CZ2 TRP A 402 1.085 1.081 -2.709 1.00 0.83 C ATOM 337 CZ3 TRP A 402 -0.021 1.977 -0.719 1.00 0.72 C ATOM 338 CH2 TRP A 402 -0.077 1.562 -2.070 1.00 0.69 C ATOM 0 HA TRP A 402 5.011 3.357 0.142 1.00 0.86 H new ATOM 0 HB2 TRP A 402 5.103 0.810 1.402 1.00 0.96 H new ATOM 0 HB3 TRP A 402 3.563 1.456 1.932 1.00 0.96 H new ATOM 0 HD1 TRP A 402 5.488 0.502 -1.224 1.00 0.94 H new ATOM 0 HE1 TRP A 402 3.860 0.255 -3.219 1.00 1.00 H new ATOM 0 HE3 TRP A 402 1.234 2.231 1.028 1.00 0.78 H new ATOM 0 HZ2 TRP A 402 1.046 0.764 -3.741 1.00 0.83 H new ATOM 0 HZ3 TRP A 402 -0.912 2.345 -0.232 1.00 0.72 H new ATOM 0 HH2 TRP A 402 -1.009 1.613 -2.612 1.00 0.69 H new ATOM 349 N ALA A 403 3.547 3.528 3.078 1.00 0.85 N ATOM 350 CA ALA A 403 2.642 4.428 3.857 1.00 0.85 C ATOM 351 C ALA A 403 3.226 5.842 3.924 1.00 0.80 C ATOM 352 O ALA A 403 2.540 6.815 3.690 1.00 0.76 O ATOM 353 CB ALA A 403 2.568 3.810 5.253 1.00 0.99 C ATOM 0 H ALA A 403 3.764 2.638 3.526 1.00 0.85 H new ATOM 0 HA ALA A 403 1.657 4.515 3.399 1.00 0.85 H new ATOM 0 HB1 ALA A 403 1.920 4.416 5.885 1.00 0.99 H new ATOM 0 HB2 ALA A 403 2.165 2.800 5.183 1.00 0.99 H new ATOM 0 HB3 ALA A 403 3.567 3.773 5.688 1.00 0.99 H new ATOM 359 N THR A 404 4.487 5.966 4.229 1.00 0.82 N ATOM 360 CA THR A 404 5.098 7.323 4.289 1.00 0.81 C ATOM 361 C THR A 404 4.952 8.002 2.927 1.00 0.70 C ATOM 362 O THR A 404 4.764 9.199 2.830 1.00 0.68 O ATOM 363 CB THR A 404 6.573 7.088 4.622 1.00 0.89 C ATOM 364 OG1 THR A 404 6.683 6.012 5.545 1.00 1.07 O ATOM 365 CG2 THR A 404 7.167 8.355 5.240 1.00 0.89 C ATOM 0 H THR A 404 5.118 5.192 4.438 1.00 0.82 H new ATOM 0 HA THR A 404 4.623 7.967 5.029 1.00 0.81 H new ATOM 0 HB THR A 404 7.117 6.842 3.710 1.00 0.89 H new ATOM 0 HG1 THR A 404 7.627 5.859 5.758 1.00 1.07 H new ATOM 0 HG21 THR A 404 8.218 8.186 5.477 1.00 0.89 H new ATOM 0 HG22 THR A 404 7.082 9.179 4.532 1.00 0.89 H new ATOM 0 HG23 THR A 404 6.625 8.603 6.152 1.00 0.89 H new ATOM 373 N LEU A 405 5.025 7.237 1.871 1.00 0.67 N ATOM 374 CA LEU A 405 4.876 7.821 0.509 1.00 0.61 C ATOM 375 C LEU A 405 3.398 8.109 0.233 1.00 0.53 C ATOM 376 O LEU A 405 3.059 8.985 -0.535 1.00 0.52 O ATOM 377 CB LEU A 405 5.415 6.740 -0.440 1.00 0.67 C ATOM 378 CG LEU A 405 5.439 7.239 -1.897 1.00 0.65 C ATOM 379 CD1 LEU A 405 4.017 7.257 -2.462 1.00 0.57 C ATOM 380 CD2 LEU A 405 6.039 8.649 -1.970 1.00 0.64 C ATOM 0 H LEU A 405 5.182 6.229 1.894 1.00 0.67 H new ATOM 0 HA LEU A 405 5.410 8.763 0.388 1.00 0.61 H new ATOM 0 HB2 LEU A 405 6.421 6.453 -0.135 1.00 0.67 H new ATOM 0 HB3 LEU A 405 4.794 5.847 -0.369 1.00 0.67 H new ATOM 0 HG LEU A 405 6.057 6.562 -2.487 1.00 0.65 H new ATOM 0 HD11 LEU A 405 4.039 7.611 -3.493 1.00 0.57 H new ATOM 0 HD12 LEU A 405 3.601 6.250 -2.433 1.00 0.57 H new ATOM 0 HD13 LEU A 405 3.396 7.923 -1.863 1.00 0.57 H new ATOM 0 HD21 LEU A 405 6.049 8.987 -3.006 1.00 0.64 H new ATOM 0 HD22 LEU A 405 5.437 9.332 -1.371 1.00 0.64 H new ATOM 0 HD23 LEU A 405 7.058 8.631 -1.585 1.00 0.64 H new ATOM 392 N LEU A 406 2.519 7.375 0.857 1.00 0.53 N ATOM 393 CA LEU A 406 1.064 7.599 0.637 1.00 0.50 C ATOM 394 C LEU A 406 0.581 8.785 1.476 1.00 0.49 C ATOM 395 O LEU A 406 -0.286 9.533 1.069 1.00 0.45 O ATOM 396 CB LEU A 406 0.389 6.302 1.093 1.00 0.58 C ATOM 397 CG LEU A 406 -0.898 6.087 0.292 1.00 0.60 C ATOM 398 CD1 LEU A 406 -0.566 5.983 -1.198 1.00 0.94 C ATOM 399 CD2 LEU A 406 -1.575 4.793 0.747 1.00 1.02 C ATOM 0 H LEU A 406 2.747 6.627 1.512 1.00 0.53 H new ATOM 0 HA LEU A 406 0.833 7.832 -0.402 1.00 0.50 H new ATOM 0 HB2 LEU A 406 1.064 5.458 0.950 1.00 0.58 H new ATOM 0 HB3 LEU A 406 0.163 6.352 2.158 1.00 0.58 H new ATOM 0 HG LEU A 406 -1.568 6.930 0.459 1.00 0.60 H new ATOM 0 HD11 LEU A 406 -1.484 5.830 -1.765 1.00 0.94 H new ATOM 0 HD12 LEU A 406 -0.084 6.903 -1.528 1.00 0.94 H new ATOM 0 HD13 LEU A 406 0.107 5.142 -1.363 1.00 0.94 H new ATOM 0 HD21 LEU A 406 -2.491 4.641 0.176 1.00 1.02 H new ATOM 0 HD22 LEU A 406 -0.901 3.952 0.582 1.00 1.02 H new ATOM 0 HD23 LEU A 406 -1.816 4.862 1.808 1.00 1.02 H new ATOM 411 N ALA A 407 1.138 8.964 2.641 1.00 0.56 N ATOM 412 CA ALA A 407 0.713 10.104 3.500 1.00 0.59 C ATOM 413 C ALA A 407 1.233 11.419 2.915 1.00 0.57 C ATOM 414 O ALA A 407 0.554 12.426 2.924 1.00 0.61 O ATOM 415 CB ALA A 407 1.346 9.830 4.864 1.00 0.70 C ATOM 0 H ALA A 407 1.868 8.371 3.035 1.00 0.56 H new ATOM 0 HA ALA A 407 -0.371 10.193 3.570 1.00 0.59 H new ATOM 0 HB1 ALA A 407 1.079 10.629 5.556 1.00 0.70 H new ATOM 0 HB2 ALA A 407 0.981 8.878 5.250 1.00 0.70 H new ATOM 0 HB3 ALA A 407 2.430 9.788 4.760 1.00 0.70 H new ATOM 421 N GLN A 408 2.434 11.416 2.401 1.00 0.57 N ATOM 422 CA GLN A 408 2.993 12.664 1.811 1.00 0.57 C ATOM 423 C GLN A 408 2.451 12.863 0.394 1.00 0.50 C ATOM 424 O GLN A 408 2.260 13.973 -0.058 1.00 0.50 O ATOM 425 CB GLN A 408 4.507 12.449 1.784 1.00 0.62 C ATOM 426 CG GLN A 408 5.099 12.808 3.148 1.00 0.75 C ATOM 427 CD GLN A 408 6.366 13.644 2.953 1.00 0.78 C ATOM 428 OE1 GLN A 408 6.297 14.786 2.543 1.00 1.29 O ATOM 429 NE2 GLN A 408 7.529 13.119 3.231 1.00 1.46 N ATOM 0 H GLN A 408 3.050 10.604 2.365 1.00 0.57 H new ATOM 0 HA GLN A 408 2.721 13.551 2.383 1.00 0.57 H new ATOM 0 HB2 GLN A 408 4.733 11.411 1.540 1.00 0.62 H new ATOM 0 HB3 GLN A 408 4.958 13.065 1.006 1.00 0.62 H new ATOM 0 HG2 GLN A 408 4.370 13.365 3.737 1.00 0.75 H new ATOM 0 HG3 GLN A 408 5.332 11.900 3.705 1.00 0.75 H new ATOM 0 HE21 GLN A 408 7.587 12.161 3.575 1.00 1.46 H new ATOM 0 HE22 GLN A 408 8.380 13.667 3.104 1.00 1.46 H new ATOM 438 N TRP A 409 2.197 11.793 -0.308 1.00 0.46 N ATOM 439 CA TRP A 409 1.659 11.920 -1.694 1.00 0.43 C ATOM 440 C TRP A 409 0.226 12.464 -1.643 1.00 0.40 C ATOM 441 O TRP A 409 -0.080 13.489 -2.219 1.00 0.41 O ATOM 442 CB TRP A 409 1.696 10.492 -2.255 1.00 0.43 C ATOM 443 CG TRP A 409 0.903 10.405 -3.523 1.00 0.42 C ATOM 444 CD1 TRP A 409 1.234 10.999 -4.695 1.00 0.50 C ATOM 445 CD2 TRP A 409 -0.341 9.690 -3.761 1.00 0.40 C ATOM 446 NE1 TRP A 409 0.270 10.694 -5.641 1.00 0.53 N ATOM 447 CE2 TRP A 409 -0.724 9.890 -5.119 1.00 0.47 C ATOM 448 CE3 TRP A 409 -1.174 8.889 -2.939 1.00 0.39 C ATOM 449 CZ2 TRP A 409 -1.895 9.315 -5.646 1.00 0.50 C ATOM 450 CZ3 TRP A 409 -2.355 8.308 -3.462 1.00 0.43 C ATOM 451 CH2 TRP A 409 -2.714 8.521 -4.814 1.00 0.48 C ATOM 0 H TRP A 409 2.338 10.837 0.017 1.00 0.46 H new ATOM 0 HA TRP A 409 2.232 12.608 -2.315 1.00 0.43 H new ATOM 0 HB2 TRP A 409 2.728 10.196 -2.444 1.00 0.43 H new ATOM 0 HB3 TRP A 409 1.294 9.796 -1.519 1.00 0.43 H new ATOM 0 HD1 TRP A 409 2.108 11.611 -4.864 1.00 0.50 H new ATOM 0 HE1 TRP A 409 0.291 11.023 -6.606 1.00 0.53 H new ATOM 0 HE3 TRP A 409 -0.906 8.721 -1.906 1.00 0.39 H new ATOM 0 HZ2 TRP A 409 -2.165 9.480 -6.679 1.00 0.50 H new ATOM 0 HZ3 TRP A 409 -2.983 7.701 -2.827 1.00 0.43 H new ATOM 0 HH2 TRP A 409 -3.615 8.076 -5.210 1.00 0.48 H new ATOM 462 N ALA A 410 -0.652 11.787 -0.955 1.00 0.42 N ATOM 463 CA ALA A 410 -2.060 12.266 -0.866 1.00 0.44 C ATOM 464 C ALA A 410 -2.092 13.712 -0.367 1.00 0.45 C ATOM 465 O ALA A 410 -2.994 14.467 -0.675 1.00 0.47 O ATOM 466 CB ALA A 410 -2.734 11.333 0.141 1.00 0.51 C ATOM 0 H ALA A 410 -0.455 10.923 -0.451 1.00 0.42 H new ATOM 0 HA ALA A 410 -2.565 12.252 -1.832 1.00 0.44 H new ATOM 0 HB1 ALA A 410 -3.778 11.622 0.262 1.00 0.51 H new ATOM 0 HB2 ALA A 410 -2.681 10.307 -0.222 1.00 0.51 H new ATOM 0 HB3 ALA A 410 -2.224 11.405 1.102 1.00 0.51 H new ATOM 472 N ASP A 411 -1.112 14.106 0.399 1.00 0.48 N ATOM 473 CA ASP A 411 -1.084 15.505 0.915 1.00 0.53 C ATOM 474 C ASP A 411 -0.512 16.444 -0.150 1.00 0.53 C ATOM 475 O ASP A 411 -1.068 17.486 -0.437 1.00 0.58 O ATOM 476 CB ASP A 411 -0.171 15.459 2.139 1.00 0.60 C ATOM 477 CG ASP A 411 -0.170 16.825 2.827 1.00 1.03 C ATOM 478 OD1 ASP A 411 0.484 17.721 2.319 1.00 1.51 O ATOM 479 OD2 ASP A 411 -0.823 16.952 3.849 1.00 1.78 O ATOM 0 H ASP A 411 -0.329 13.520 0.690 1.00 0.48 H new ATOM 0 HA ASP A 411 -2.078 15.875 1.166 1.00 0.53 H new ATOM 0 HB2 ASP A 411 -0.513 14.691 2.833 1.00 0.60 H new ATOM 0 HB3 ASP A 411 0.842 15.190 1.840 1.00 0.60 H new ATOM 484 N ARG A 412 0.592 16.079 -0.742 1.00 0.51 N ATOM 485 CA ARG A 412 1.199 16.945 -1.791 1.00 0.56 C ATOM 486 C ARG A 412 0.205 17.147 -2.937 1.00 0.55 C ATOM 487 O ARG A 412 0.155 18.192 -3.555 1.00 0.63 O ATOM 488 CB ARG A 412 2.428 16.173 -2.274 1.00 0.58 C ATOM 489 CG ARG A 412 3.475 17.154 -2.804 1.00 0.96 C ATOM 490 CD ARG A 412 3.561 17.037 -4.327 1.00 1.50 C ATOM 491 NE ARG A 412 4.810 16.267 -4.585 1.00 1.90 N ATOM 492 CZ ARG A 412 4.761 14.972 -4.726 1.00 2.41 C ATOM 493 NH1 ARG A 412 4.016 14.443 -5.659 1.00 2.89 N ATOM 494 NH2 ARG A 412 5.458 14.202 -3.934 1.00 3.02 N ATOM 0 H ARG A 412 1.100 15.217 -0.544 1.00 0.51 H new ATOM 0 HA ARG A 412 1.462 17.935 -1.417 1.00 0.56 H new ATOM 0 HB2 ARG A 412 2.846 15.586 -1.456 1.00 0.58 H new ATOM 0 HB3 ARG A 412 2.144 15.470 -3.057 1.00 0.58 H new ATOM 0 HG2 ARG A 412 3.210 18.173 -2.522 1.00 0.96 H new ATOM 0 HG3 ARG A 412 4.446 16.942 -2.357 1.00 0.96 H new ATOM 0 HD2 ARG A 412 2.690 16.523 -4.733 1.00 1.50 H new ATOM 0 HD3 ARG A 412 3.599 18.020 -4.797 1.00 1.50 H new ATOM 0 HE ARG A 412 5.704 16.753 -4.651 1.00 1.90 H new ATOM 0 HH11 ARG A 412 3.472 15.043 -6.278 1.00 2.89 H new ATOM 0 HH12 ARG A 412 3.979 13.430 -5.768 1.00 2.89 H new ATOM 0 HH21 ARG A 412 6.041 14.614 -3.205 1.00 3.02 H new ATOM 0 HH22 ARG A 412 5.420 13.189 -4.044 1.00 3.02 H new ATOM 508 N ALA A 413 -0.586 16.152 -3.220 1.00 0.50 N ATOM 509 CA ALA A 413 -1.581 16.275 -4.322 1.00 0.53 C ATOM 510 C ALA A 413 -2.785 17.098 -3.854 1.00 0.57 C ATOM 511 O ALA A 413 -3.298 17.933 -4.573 1.00 0.66 O ATOM 512 CB ALA A 413 -2.004 14.839 -4.634 1.00 0.53 C ATOM 0 H ALA A 413 -0.587 15.255 -2.734 1.00 0.50 H new ATOM 0 HA ALA A 413 -1.170 16.779 -5.197 1.00 0.53 H new ATOM 0 HB1 ALA A 413 -2.739 14.843 -5.439 1.00 0.53 H new ATOM 0 HB2 ALA A 413 -1.132 14.262 -4.942 1.00 0.53 H new ATOM 0 HB3 ALA A 413 -2.443 14.387 -3.744 1.00 0.53 H new ATOM 518 N LEU A 414 -3.240 16.867 -2.653 1.00 0.54 N ATOM 519 CA LEU A 414 -4.412 17.631 -2.135 1.00 0.61 C ATOM 520 C LEU A 414 -4.170 19.136 -2.276 1.00 0.71 C ATOM 521 O LEU A 414 -5.056 19.886 -2.634 1.00 0.82 O ATOM 522 CB LEU A 414 -4.519 17.243 -0.661 1.00 0.63 C ATOM 523 CG LEU A 414 -5.897 16.637 -0.392 1.00 0.71 C ATOM 524 CD1 LEU A 414 -5.996 15.273 -1.076 1.00 1.11 C ATOM 525 CD2 LEU A 414 -6.093 16.466 1.115 1.00 1.04 C ATOM 0 H LEU A 414 -2.850 16.181 -2.006 1.00 0.54 H new ATOM 0 HA LEU A 414 -5.326 17.404 -2.684 1.00 0.61 H new ATOM 0 HB2 LEU A 414 -3.739 16.526 -0.405 1.00 0.63 H new ATOM 0 HB3 LEU A 414 -4.366 18.119 -0.031 1.00 0.63 H new ATOM 0 HG LEU A 414 -6.668 17.299 -0.786 1.00 0.71 H new ATOM 0 HD11 LEU A 414 -6.978 14.840 -0.885 1.00 1.11 H new ATOM 0 HD12 LEU A 414 -5.856 15.394 -2.150 1.00 1.11 H new ATOM 0 HD13 LEU A 414 -5.225 14.611 -0.681 1.00 1.11 H new ATOM 0 HD21 LEU A 414 -7.075 16.034 1.307 1.00 1.04 H new ATOM 0 HD22 LEU A 414 -5.322 15.804 1.509 1.00 1.04 H new ATOM 0 HD23 LEU A 414 -6.022 17.438 1.604 1.00 1.04 H new ATOM 537 N ARG A 415 -2.977 19.583 -1.994 1.00 0.73 N ATOM 538 CA ARG A 415 -2.680 21.040 -2.109 1.00 0.86 C ATOM 539 C ARG A 415 -2.308 21.405 -3.553 1.00 0.92 C ATOM 540 O ARG A 415 -1.854 22.499 -3.824 1.00 1.26 O ATOM 541 CB ARG A 415 -1.490 21.273 -1.175 1.00 1.01 C ATOM 542 CG ARG A 415 -1.872 22.296 -0.104 1.00 1.40 C ATOM 543 CD ARG A 415 -0.762 22.375 0.947 1.00 1.61 C ATOM 544 NE ARG A 415 -1.163 21.406 2.005 1.00 2.27 N ATOM 545 CZ ARG A 415 -1.540 21.840 3.178 1.00 2.92 C ATOM 546 NH1 ARG A 415 -2.440 22.781 3.268 1.00 3.32 N ATOM 547 NH2 ARG A 415 -1.016 21.332 4.260 1.00 3.70 N ATOM 0 H ARG A 415 -2.195 19.003 -1.689 1.00 0.73 H new ATOM 0 HA ARG A 415 -3.540 21.655 -1.844 1.00 0.86 H new ATOM 0 HB2 ARG A 415 -1.193 20.335 -0.707 1.00 1.01 H new ATOM 0 HB3 ARG A 415 -0.632 21.631 -1.744 1.00 1.01 H new ATOM 0 HG2 ARG A 415 -2.026 23.274 -0.559 1.00 1.40 H new ATOM 0 HG3 ARG A 415 -2.813 22.011 0.367 1.00 1.40 H new ATOM 0 HD2 ARG A 415 0.206 22.114 0.519 1.00 1.61 H new ATOM 0 HD3 ARG A 415 -0.671 23.384 1.350 1.00 1.61 H new ATOM 0 HE ARG A 415 -1.143 20.404 1.814 1.00 2.27 H new ATOM 0 HH11 ARG A 415 -2.849 23.178 2.422 1.00 3.32 H new ATOM 0 HH12 ARG A 415 -2.734 23.120 4.184 1.00 3.32 H new ATOM 0 HH21 ARG A 415 -0.313 20.597 4.189 1.00 3.70 H new ATOM 0 HH22 ARG A 415 -1.310 21.670 5.176 1.00 3.70 H new ATOM 561 N SER A 416 -2.497 20.505 -4.482 1.00 0.90 N ATOM 562 CA SER A 416 -2.151 20.814 -5.899 1.00 0.99 C ATOM 563 C SER A 416 -3.016 19.981 -6.850 1.00 0.99 C ATOM 564 O SER A 416 -2.517 19.179 -7.615 1.00 1.63 O ATOM 565 CB SER A 416 -0.679 20.429 -6.040 1.00 1.20 C ATOM 566 OG SER A 416 0.122 21.364 -5.330 1.00 1.69 O ATOM 0 H SER A 416 -2.875 19.572 -4.321 1.00 0.90 H new ATOM 0 HA SER A 416 -2.325 21.861 -6.147 1.00 0.99 H new ATOM 0 HB2 SER A 416 -0.515 19.424 -5.651 1.00 1.20 H new ATOM 0 HB3 SER A 416 -0.394 20.414 -7.092 1.00 1.20 H new ATOM 0 HG SER A 416 -0.456 21.976 -4.828 1.00 1.69 H new ATOM 572 N GLY A 417 -4.307 20.165 -6.810 1.00 1.06 N ATOM 573 CA GLY A 417 -5.201 19.382 -7.713 1.00 1.06 C ATOM 574 C GLY A 417 -4.924 17.887 -7.541 1.00 0.99 C ATOM 575 O GLY A 417 -4.156 17.298 -8.277 1.00 1.31 O ATOM 0 H GLY A 417 -4.782 20.823 -6.192 1.00 1.06 H new ATOM 0 HA2 GLY A 417 -6.245 19.597 -7.484 1.00 1.06 H new ATOM 0 HA3 GLY A 417 -5.035 19.676 -8.749 1.00 1.06 H new ATOM 579 N HIS A 418 -5.539 17.269 -6.569 1.00 0.78 N ATOM 580 CA HIS A 418 -5.307 15.813 -6.344 1.00 0.87 C ATOM 581 C HIS A 418 -6.215 14.975 -7.250 1.00 0.89 C ATOM 582 O HIS A 418 -7.419 15.140 -7.265 1.00 1.17 O ATOM 583 CB HIS A 418 -5.656 15.577 -4.873 1.00 1.01 C ATOM 584 CG HIS A 418 -7.076 16.004 -4.611 1.00 1.68 C ATOM 585 ND1 HIS A 418 -7.394 17.271 -4.151 1.00 2.18 N ATOM 586 CD2 HIS A 418 -8.272 15.340 -4.738 1.00 2.31 C ATOM 587 CE1 HIS A 418 -8.731 17.332 -4.018 1.00 2.86 C ATOM 588 NE2 HIS A 418 -9.316 16.181 -4.363 1.00 2.97 N ATOM 0 H HIS A 418 -6.192 17.709 -5.921 1.00 0.78 H new ATOM 0 HA HIS A 418 -4.282 15.524 -6.574 1.00 0.87 H new ATOM 0 HB2 HIS A 418 -5.532 14.523 -4.625 1.00 1.01 H new ATOM 0 HB3 HIS A 418 -4.974 16.137 -4.233 1.00 1.01 H new ATOM 0 HD2 HIS A 418 -8.385 14.321 -5.077 1.00 2.31 H new ATOM 0 HE1 HIS A 418 -9.267 18.205 -3.674 1.00 2.86 H new ATOM 0 HE2 HIS A 418 -10.313 15.965 -4.354 1.00 2.97 H new ATOM 596 N GLN A 419 -5.646 14.073 -8.002 1.00 1.08 N ATOM 597 CA GLN A 419 -6.468 13.219 -8.901 1.00 1.25 C ATOM 598 C GLN A 419 -6.974 11.992 -8.135 1.00 1.03 C ATOM 599 O GLN A 419 -7.084 12.008 -6.925 1.00 1.28 O ATOM 600 CB GLN A 419 -5.514 12.804 -10.022 1.00 1.71 C ATOM 601 CG GLN A 419 -4.332 12.029 -9.433 1.00 2.33 C ATOM 602 CD GLN A 419 -3.682 11.181 -10.527 1.00 2.91 C ATOM 603 OE1 GLN A 419 -3.911 9.896 -10.563 1.00 3.29 O flip ATOM 604 NE2 GLN A 419 -2.958 11.692 -11.357 1.00 3.52 N flip ATOM 0 H GLN A 419 -4.643 13.891 -8.031 1.00 1.08 H new ATOM 0 HA GLN A 419 -7.347 13.736 -9.286 1.00 1.25 H new ATOM 0 HB2 GLN A 419 -6.040 12.186 -10.750 1.00 1.71 H new ATOM 0 HB3 GLN A 419 -5.155 13.686 -10.552 1.00 1.71 H new ATOM 0 HG2 GLN A 419 -3.602 12.721 -9.013 1.00 2.33 H new ATOM 0 HG3 GLN A 419 -4.672 11.391 -8.617 1.00 2.33 H new ATOM 0 HE21 GLN A 419 -2.779 12.696 -11.329 1.00 3.52 H new ATOM 0 HE22 GLN A 419 -2.529 11.117 -12.082 1.00 3.52 H new ATOM 613 N ASN A 420 -7.279 10.927 -8.825 1.00 0.78 N ATOM 614 CA ASN A 420 -7.771 9.704 -8.126 1.00 0.70 C ATOM 615 C ASN A 420 -6.766 9.274 -7.053 1.00 0.58 C ATOM 616 O ASN A 420 -5.698 8.781 -7.353 1.00 0.71 O ATOM 617 CB ASN A 420 -7.880 8.640 -9.219 1.00 0.86 C ATOM 618 CG ASN A 420 -9.347 8.458 -9.611 1.00 1.35 C ATOM 619 OD1 ASN A 420 -10.177 8.145 -8.779 1.00 1.96 O ATOM 620 ND2 ASN A 420 -9.706 8.641 -10.852 1.00 1.88 N ATOM 0 H ASN A 420 -7.209 10.850 -9.840 1.00 0.78 H new ATOM 0 HA ASN A 420 -8.724 9.867 -7.623 1.00 0.70 H new ATOM 0 HB2 ASN A 420 -7.294 8.936 -10.089 1.00 0.86 H new ATOM 0 HB3 ASN A 420 -7.468 7.695 -8.864 1.00 0.86 H new ATOM 0 HD21 ASN A 420 -10.682 8.522 -11.123 1.00 1.88 H new ATOM 0 HD22 ASN A 420 -9.011 8.904 -11.551 1.00 1.88 H new ATOM 627 N LEU A 421 -7.098 9.462 -5.805 1.00 0.45 N ATOM 628 CA LEU A 421 -6.158 9.069 -4.716 1.00 0.40 C ATOM 629 C LEU A 421 -6.340 7.591 -4.358 1.00 0.39 C ATOM 630 O LEU A 421 -5.594 6.740 -4.797 1.00 0.53 O ATOM 631 CB LEU A 421 -6.532 9.956 -3.530 1.00 0.42 C ATOM 632 CG LEU A 421 -5.866 11.324 -3.686 1.00 0.39 C ATOM 633 CD1 LEU A 421 -6.907 12.424 -3.478 1.00 0.50 C ATOM 634 CD2 LEU A 421 -4.756 11.474 -2.643 1.00 0.41 C ATOM 0 H LEU A 421 -7.979 9.870 -5.492 1.00 0.45 H new ATOM 0 HA LEU A 421 -5.116 9.196 -5.009 1.00 0.40 H new ATOM 0 HB2 LEU A 421 -7.615 10.071 -3.475 1.00 0.42 H new ATOM 0 HB3 LEU A 421 -6.214 9.489 -2.598 1.00 0.42 H new ATOM 0 HG LEU A 421 -5.441 11.408 -4.686 1.00 0.39 H new ATOM 0 HD11 LEU A 421 -6.433 13.399 -3.589 1.00 0.50 H new ATOM 0 HD12 LEU A 421 -7.700 12.319 -4.219 1.00 0.50 H new ATOM 0 HD13 LEU A 421 -7.332 12.339 -2.478 1.00 0.50 H new ATOM 0 HD21 LEU A 421 -4.281 12.449 -2.754 1.00 0.41 H new ATOM 0 HD22 LEU A 421 -5.182 11.390 -1.643 1.00 0.41 H new ATOM 0 HD23 LEU A 421 -4.013 10.690 -2.788 1.00 0.41 H new ATOM 646 N LEU A 422 -7.326 7.281 -3.560 1.00 0.33 N ATOM 647 CA LEU A 422 -7.551 5.858 -3.171 1.00 0.34 C ATOM 648 C LEU A 422 -7.634 4.970 -4.416 1.00 0.35 C ATOM 649 O LEU A 422 -7.381 3.784 -4.361 1.00 0.37 O ATOM 650 CB LEU A 422 -8.884 5.858 -2.422 1.00 0.37 C ATOM 651 CG LEU A 422 -8.621 5.858 -0.915 1.00 0.38 C ATOM 652 CD1 LEU A 422 -9.953 5.879 -0.164 1.00 0.58 C ATOM 653 CD2 LEU A 422 -7.844 4.596 -0.534 1.00 0.63 C ATOM 0 H LEU A 422 -7.985 7.950 -3.161 1.00 0.33 H new ATOM 0 HA LEU A 422 -6.738 5.466 -2.559 1.00 0.34 H new ATOM 0 HB2 LEU A 422 -9.470 6.734 -2.700 1.00 0.37 H new ATOM 0 HB3 LEU A 422 -9.470 4.982 -2.700 1.00 0.37 H new ATOM 0 HG LEU A 422 -8.039 6.740 -0.648 1.00 0.38 H new ATOM 0 HD11 LEU A 422 -9.765 5.879 0.910 1.00 0.58 H new ATOM 0 HD12 LEU A 422 -10.509 6.776 -0.435 1.00 0.58 H new ATOM 0 HD13 LEU A 422 -10.535 4.997 -0.431 1.00 0.58 H new ATOM 0 HD21 LEU A 422 -7.656 4.595 0.540 1.00 0.63 H new ATOM 0 HD22 LEU A 422 -8.427 3.715 -0.801 1.00 0.63 H new ATOM 0 HD23 LEU A 422 -6.894 4.578 -1.069 1.00 0.63 H new ATOM 665 N SER A 423 -7.988 5.536 -5.538 1.00 0.35 N ATOM 666 CA SER A 423 -8.088 4.722 -6.783 1.00 0.38 C ATOM 667 C SER A 423 -6.691 4.400 -7.326 1.00 0.36 C ATOM 668 O SER A 423 -6.519 3.498 -8.121 1.00 0.40 O ATOM 669 CB SER A 423 -8.854 5.601 -7.770 1.00 0.44 C ATOM 670 OG SER A 423 -10.182 5.113 -7.899 1.00 1.23 O ATOM 0 H SER A 423 -8.212 6.525 -5.646 1.00 0.35 H new ATOM 0 HA SER A 423 -8.587 3.768 -6.610 1.00 0.38 H new ATOM 0 HB2 SER A 423 -8.866 6.634 -7.422 1.00 0.44 H new ATOM 0 HB3 SER A 423 -8.357 5.597 -8.740 1.00 0.44 H new ATOM 0 HG SER A 423 -10.677 5.676 -8.530 1.00 1.23 H new ATOM 676 N GLU A 424 -5.693 5.130 -6.908 1.00 0.34 N ATOM 677 CA GLU A 424 -4.314 4.861 -7.408 1.00 0.36 C ATOM 678 C GLU A 424 -3.645 3.768 -6.569 1.00 0.32 C ATOM 679 O GLU A 424 -3.018 2.869 -7.092 1.00 0.33 O ATOM 680 CB GLU A 424 -3.569 6.188 -7.251 1.00 0.38 C ATOM 681 CG GLU A 424 -2.930 6.576 -8.586 1.00 0.58 C ATOM 682 CD GLU A 424 -1.924 7.707 -8.363 1.00 0.81 C ATOM 683 OE1 GLU A 424 -0.926 7.465 -7.705 1.00 1.54 O ATOM 684 OE2 GLU A 424 -2.170 8.796 -8.855 1.00 1.22 O ATOM 0 H GLU A 424 -5.772 5.900 -6.243 1.00 0.34 H new ATOM 0 HA GLU A 424 -4.313 4.511 -8.440 1.00 0.36 H new ATOM 0 HB2 GLU A 424 -4.258 6.968 -6.925 1.00 0.38 H new ATOM 0 HB3 GLU A 424 -2.802 6.098 -6.481 1.00 0.38 H new ATOM 0 HG2 GLU A 424 -2.431 5.713 -9.026 1.00 0.58 H new ATOM 0 HG3 GLU A 424 -3.699 6.893 -9.290 1.00 0.58 H new ATOM 691 N ALA A 425 -3.769 3.840 -5.271 1.00 0.31 N ATOM 692 CA ALA A 425 -3.136 2.804 -4.404 1.00 0.29 C ATOM 693 C ALA A 425 -4.050 1.580 -4.271 1.00 0.28 C ATOM 694 O ALA A 425 -3.634 0.533 -3.816 1.00 0.28 O ATOM 695 CB ALA A 425 -2.948 3.485 -3.047 1.00 0.29 C ATOM 0 H ALA A 425 -4.280 4.570 -4.774 1.00 0.31 H new ATOM 0 HA ALA A 425 -2.193 2.445 -4.817 1.00 0.29 H new ATOM 0 HB1 ALA A 425 -2.486 2.786 -2.350 1.00 0.29 H new ATOM 0 HB2 ALA A 425 -2.306 4.358 -3.164 1.00 0.29 H new ATOM 0 HB3 ALA A 425 -3.918 3.797 -2.659 1.00 0.29 H new ATOM 701 N GLN A 426 -5.291 1.700 -4.662 1.00 0.30 N ATOM 702 CA GLN A 426 -6.224 0.541 -4.556 1.00 0.31 C ATOM 703 C GLN A 426 -5.687 -0.663 -5.344 1.00 0.30 C ATOM 704 O GLN A 426 -5.514 -1.729 -4.787 1.00 0.30 O ATOM 705 CB GLN A 426 -7.541 1.035 -5.158 1.00 0.36 C ATOM 706 CG GLN A 426 -8.557 1.265 -4.038 1.00 0.45 C ATOM 707 CD GLN A 426 -9.879 1.754 -4.635 1.00 0.54 C ATOM 708 OE1 GLN A 426 -10.032 1.803 -5.840 1.00 1.23 O ATOM 709 NE2 GLN A 426 -10.846 2.119 -3.838 1.00 1.09 N ATOM 0 H GLN A 426 -5.699 2.551 -5.050 1.00 0.30 H new ATOM 0 HA GLN A 426 -6.345 0.208 -3.525 1.00 0.31 H new ATOM 0 HB2 GLN A 426 -7.377 1.960 -5.710 1.00 0.36 H new ATOM 0 HB3 GLN A 426 -7.926 0.303 -5.869 1.00 0.36 H new ATOM 0 HG2 GLN A 426 -8.717 0.341 -3.483 1.00 0.45 H new ATOM 0 HG3 GLN A 426 -8.173 1.999 -3.330 1.00 0.45 H new ATOM 0 HE21 GLN A 426 -10.717 2.078 -2.827 1.00 1.09 H new ATOM 0 HE22 GLN A 426 -11.731 2.446 -4.226 1.00 1.09 H new ATOM 718 N PRO A 427 -5.441 -0.462 -6.617 1.00 0.32 N ATOM 719 CA PRO A 427 -4.923 -1.565 -7.466 1.00 0.34 C ATOM 720 C PRO A 427 -3.480 -1.905 -7.086 1.00 0.31 C ATOM 721 O PRO A 427 -2.990 -2.978 -7.375 1.00 0.35 O ATOM 722 CB PRO A 427 -5.004 -1.001 -8.882 1.00 0.39 C ATOM 723 CG PRO A 427 -4.966 0.482 -8.709 1.00 0.38 C ATOM 724 CD PRO A 427 -5.613 0.783 -7.381 1.00 0.35 C ATOM 0 HA PRO A 427 -5.486 -2.491 -7.354 1.00 0.34 H new ATOM 0 HB2 PRO A 427 -4.171 -1.349 -9.494 1.00 0.39 H new ATOM 0 HB3 PRO A 427 -5.920 -1.317 -9.381 1.00 0.39 H new ATOM 0 HG2 PRO A 427 -3.939 0.847 -8.730 1.00 0.38 H new ATOM 0 HG3 PRO A 427 -5.498 0.979 -9.520 1.00 0.38 H new ATOM 0 HD2 PRO A 427 -5.134 1.627 -6.884 1.00 0.35 H new ATOM 0 HD3 PRO A 427 -6.666 1.038 -7.498 1.00 0.35 H new ATOM 732 N GLU A 428 -2.798 -1.004 -6.433 1.00 0.29 N ATOM 733 CA GLU A 428 -1.390 -1.289 -6.030 1.00 0.29 C ATOM 734 C GLU A 428 -1.370 -2.414 -4.992 1.00 0.27 C ATOM 735 O GLU A 428 -0.641 -3.377 -5.120 1.00 0.32 O ATOM 736 CB GLU A 428 -0.877 0.016 -5.422 1.00 0.29 C ATOM 737 CG GLU A 428 0.283 0.551 -6.263 1.00 0.71 C ATOM 738 CD GLU A 428 0.342 2.075 -6.143 1.00 1.37 C ATOM 739 OE1 GLU A 428 0.053 2.576 -5.068 1.00 2.07 O ATOM 740 OE2 GLU A 428 0.674 2.715 -7.127 1.00 2.12 O ATOM 0 H GLU A 428 -3.152 -0.087 -6.162 1.00 0.29 H new ATOM 0 HA GLU A 428 -0.771 -1.611 -6.868 1.00 0.29 H new ATOM 0 HB2 GLU A 428 -1.681 0.751 -5.382 1.00 0.29 H new ATOM 0 HB3 GLU A 428 -0.549 -0.153 -4.396 1.00 0.29 H new ATOM 0 HG2 GLU A 428 1.222 0.113 -5.926 1.00 0.71 H new ATOM 0 HG3 GLU A 428 0.153 0.263 -7.306 1.00 0.71 H new ATOM 747 N LEU A 429 -2.173 -2.302 -3.967 1.00 0.26 N ATOM 748 CA LEU A 429 -2.207 -3.368 -2.928 1.00 0.26 C ATOM 749 C LEU A 429 -2.810 -4.646 -3.518 1.00 0.25 C ATOM 750 O LEU A 429 -2.334 -5.737 -3.279 1.00 0.28 O ATOM 751 CB LEU A 429 -3.100 -2.809 -1.817 1.00 0.26 C ATOM 752 CG LEU A 429 -3.301 -3.870 -0.732 1.00 0.29 C ATOM 753 CD1 LEU A 429 -2.467 -3.511 0.500 1.00 0.45 C ATOM 754 CD2 LEU A 429 -4.781 -3.927 -0.346 1.00 0.56 C ATOM 0 H LEU A 429 -2.806 -1.518 -3.806 1.00 0.26 H new ATOM 0 HA LEU A 429 -1.215 -3.624 -2.556 1.00 0.26 H new ATOM 0 HB2 LEU A 429 -2.645 -1.917 -1.387 1.00 0.26 H new ATOM 0 HB3 LEU A 429 -4.064 -2.509 -2.228 1.00 0.26 H new ATOM 0 HG LEU A 429 -2.984 -4.841 -1.112 1.00 0.29 H new ATOM 0 HD11 LEU A 429 -2.612 -4.268 1.271 1.00 0.45 H new ATOM 0 HD12 LEU A 429 -1.413 -3.469 0.226 1.00 0.45 H new ATOM 0 HD13 LEU A 429 -2.781 -2.540 0.882 1.00 0.45 H new ATOM 0 HD21 LEU A 429 -4.927 -4.682 0.427 1.00 0.56 H new ATOM 0 HD22 LEU A 429 -5.096 -2.955 0.033 1.00 0.56 H new ATOM 0 HD23 LEU A 429 -5.376 -4.185 -1.222 1.00 0.56 H new ATOM 766 N GLU A 430 -3.854 -4.516 -4.293 1.00 0.27 N ATOM 767 CA GLU A 430 -4.483 -5.723 -4.902 1.00 0.28 C ATOM 768 C GLU A 430 -3.474 -6.429 -5.812 1.00 0.30 C ATOM 769 O GLU A 430 -3.475 -7.638 -5.939 1.00 0.33 O ATOM 770 CB GLU A 430 -5.662 -5.191 -5.719 1.00 0.30 C ATOM 771 CG GLU A 430 -6.962 -5.816 -5.208 1.00 0.61 C ATOM 772 CD GLU A 430 -7.489 -5.002 -4.025 1.00 1.45 C ATOM 773 OE1 GLU A 430 -6.700 -4.295 -3.419 1.00 2.18 O ATOM 774 OE2 GLU A 430 -8.672 -5.101 -3.743 1.00 2.05 O ATOM 0 H GLU A 430 -4.297 -3.628 -4.530 1.00 0.27 H new ATOM 0 HA GLU A 430 -4.805 -6.447 -4.154 1.00 0.28 H new ATOM 0 HB2 GLU A 430 -5.713 -4.105 -5.639 1.00 0.30 H new ATOM 0 HB3 GLU A 430 -5.523 -5.427 -6.774 1.00 0.30 H new ATOM 0 HG2 GLU A 430 -7.704 -5.840 -6.006 1.00 0.61 H new ATOM 0 HG3 GLU A 430 -6.787 -6.848 -4.904 1.00 0.61 H new ATOM 781 N ARG A 431 -2.613 -5.680 -6.443 1.00 0.33 N ATOM 782 CA ARG A 431 -1.600 -6.303 -7.344 1.00 0.37 C ATOM 783 C ARG A 431 -0.514 -6.992 -6.514 1.00 0.36 C ATOM 784 O ARG A 431 -0.161 -8.129 -6.757 1.00 0.38 O ATOM 785 CB ARG A 431 -1.009 -5.138 -8.139 1.00 0.41 C ATOM 786 CG ARG A 431 -0.208 -5.682 -9.323 1.00 0.59 C ATOM 787 CD ARG A 431 -1.132 -5.852 -10.532 1.00 1.32 C ATOM 788 NE ARG A 431 -0.218 -5.926 -11.706 1.00 1.56 N ATOM 789 CZ ARG A 431 0.234 -7.082 -12.109 1.00 2.19 C ATOM 790 NH1 ARG A 431 -0.545 -7.894 -12.769 1.00 2.87 N ATOM 791 NH2 ARG A 431 1.467 -7.425 -11.853 1.00 2.78 N ATOM 0 H ARG A 431 -2.566 -4.663 -6.375 1.00 0.33 H new ATOM 0 HA ARG A 431 -2.034 -7.062 -7.995 1.00 0.37 H new ATOM 0 HB2 ARG A 431 -1.806 -4.485 -8.495 1.00 0.41 H new ATOM 0 HB3 ARG A 431 -0.366 -4.535 -7.498 1.00 0.41 H new ATOM 0 HG2 ARG A 431 0.607 -5.001 -9.568 1.00 0.59 H new ATOM 0 HG3 ARG A 431 0.244 -6.638 -9.061 1.00 0.59 H new ATOM 0 HD2 ARG A 431 -1.736 -6.755 -10.444 1.00 1.32 H new ATOM 0 HD3 ARG A 431 -1.823 -5.014 -10.622 1.00 1.32 H new ATOM 0 HE ARG A 431 0.055 -5.073 -12.195 1.00 1.56 H new ATOM 0 HH11 ARG A 431 -1.508 -7.626 -12.970 1.00 2.87 H new ATOM 0 HH12 ARG A 431 -0.191 -8.797 -13.084 1.00 2.87 H new ATOM 0 HH21 ARG A 431 2.077 -6.790 -11.338 1.00 2.78 H new ATOM 0 HH22 ARG A 431 1.821 -8.328 -12.168 1.00 2.78 H new ATOM 805 N THR A 432 0.019 -6.312 -5.534 1.00 0.41 N ATOM 806 CA THR A 432 1.082 -6.931 -4.691 1.00 0.45 C ATOM 807 C THR A 432 0.580 -8.249 -4.094 1.00 0.40 C ATOM 808 O THR A 432 1.222 -9.275 -4.201 1.00 0.56 O ATOM 809 CB THR A 432 1.359 -5.911 -3.584 1.00 0.53 C ATOM 810 OG1 THR A 432 1.739 -4.672 -4.168 1.00 0.61 O ATOM 811 CG2 THR A 432 2.487 -6.420 -2.686 1.00 0.62 C ATOM 0 H THR A 432 -0.235 -5.357 -5.281 1.00 0.41 H new ATOM 0 HA THR A 432 1.980 -7.162 -5.263 1.00 0.45 H new ATOM 0 HB THR A 432 0.458 -5.771 -2.986 1.00 0.53 H new ATOM 0 HG1 THR A 432 0.937 -4.147 -4.373 1.00 0.61 H new ATOM 0 HG21 THR A 432 2.682 -5.692 -1.899 1.00 0.62 H new ATOM 0 HG22 THR A 432 2.195 -7.370 -2.238 1.00 0.62 H new ATOM 0 HG23 THR A 432 3.389 -6.562 -3.281 1.00 0.62 H new ATOM 819 N LEU A 433 -0.566 -8.230 -3.469 1.00 0.33 N ATOM 820 CA LEU A 433 -1.109 -9.483 -2.871 1.00 0.30 C ATOM 821 C LEU A 433 -1.463 -10.482 -3.975 1.00 0.27 C ATOM 822 O LEU A 433 -1.111 -11.643 -3.913 1.00 0.25 O ATOM 823 CB LEU A 433 -2.367 -9.051 -2.118 1.00 0.37 C ATOM 824 CG LEU A 433 -2.359 -9.658 -0.714 1.00 0.42 C ATOM 825 CD1 LEU A 433 -2.332 -11.184 -0.819 1.00 0.41 C ATOM 826 CD2 LEU A 433 -1.116 -9.178 0.039 1.00 0.44 C ATOM 0 H LEU A 433 -1.149 -7.402 -3.347 1.00 0.33 H new ATOM 0 HA LEU A 433 -0.390 -9.973 -2.215 1.00 0.30 H new ATOM 0 HB2 LEU A 433 -2.410 -7.964 -2.055 1.00 0.37 H new ATOM 0 HB3 LEU A 433 -3.256 -9.374 -2.660 1.00 0.37 H new ATOM 0 HG LEU A 433 -3.255 -9.346 -0.177 1.00 0.42 H new ATOM 0 HD11 LEU A 433 -2.326 -11.617 0.181 1.00 0.41 H new ATOM 0 HD12 LEU A 433 -3.215 -11.527 -1.358 1.00 0.41 H new ATOM 0 HD13 LEU A 433 -1.436 -11.496 -1.355 1.00 0.41 H new ATOM 0 HD21 LEU A 433 -1.108 -9.609 1.040 1.00 0.44 H new ATOM 0 HD22 LEU A 433 -0.221 -9.492 -0.499 1.00 0.44 H new ATOM 0 HD23 LEU A 433 -1.132 -8.091 0.113 1.00 0.44 H new ATOM 838 N LEU A 434 -2.157 -10.038 -4.986 1.00 0.32 N ATOM 839 CA LEU A 434 -2.535 -10.959 -6.096 1.00 0.32 C ATOM 840 C LEU A 434 -1.292 -11.651 -6.661 1.00 0.29 C ATOM 841 O LEU A 434 -1.313 -12.823 -6.977 1.00 0.30 O ATOM 842 CB LEU A 434 -3.176 -10.058 -7.151 1.00 0.41 C ATOM 843 CG LEU A 434 -3.552 -10.892 -8.377 1.00 0.65 C ATOM 844 CD1 LEU A 434 -5.062 -11.142 -8.381 1.00 0.84 C ATOM 845 CD2 LEU A 434 -3.157 -10.134 -9.647 1.00 1.14 C ATOM 0 H LEU A 434 -2.479 -9.076 -5.092 1.00 0.32 H new ATOM 0 HA LEU A 434 -3.211 -11.749 -5.767 1.00 0.32 H new ATOM 0 HB2 LEU A 434 -4.063 -9.575 -6.741 1.00 0.41 H new ATOM 0 HB3 LEU A 434 -2.484 -9.265 -7.436 1.00 0.41 H new ATOM 0 HG LEU A 434 -3.027 -11.846 -8.344 1.00 0.65 H new ATOM 0 HD11 LEU A 434 -5.330 -11.736 -9.255 1.00 0.84 H new ATOM 0 HD12 LEU A 434 -5.344 -11.680 -7.476 1.00 0.84 H new ATOM 0 HD13 LEU A 434 -5.589 -10.188 -8.415 1.00 0.84 H new ATOM 0 HD21 LEU A 434 -3.424 -10.726 -10.522 1.00 1.14 H new ATOM 0 HD22 LEU A 434 -3.684 -9.180 -9.680 1.00 1.14 H new ATOM 0 HD23 LEU A 434 -2.082 -9.955 -9.644 1.00 1.14 H new ATOM 857 N THR A 435 -0.210 -10.935 -6.794 1.00 0.34 N ATOM 858 CA THR A 435 1.030 -11.555 -7.342 1.00 0.37 C ATOM 859 C THR A 435 1.659 -12.488 -6.305 1.00 0.35 C ATOM 860 O THR A 435 2.117 -13.567 -6.623 1.00 0.39 O ATOM 861 CB THR A 435 1.961 -10.379 -7.643 1.00 0.45 C ATOM 862 OG1 THR A 435 1.358 -9.538 -8.618 1.00 0.52 O ATOM 863 CG2 THR A 435 3.295 -10.904 -8.174 1.00 0.55 C ATOM 0 H THR A 435 -0.130 -9.948 -6.547 1.00 0.34 H new ATOM 0 HA THR A 435 0.834 -12.156 -8.230 1.00 0.37 H new ATOM 0 HB THR A 435 2.136 -9.810 -6.730 1.00 0.45 H new ATOM 0 HG1 THR A 435 0.741 -8.917 -8.178 1.00 0.52 H new ATOM 0 HG21 THR A 435 3.957 -10.065 -8.388 1.00 0.55 H new ATOM 0 HG22 THR A 435 3.756 -11.548 -7.426 1.00 0.55 H new ATOM 0 HG23 THR A 435 3.124 -11.473 -9.088 1.00 0.55 H new ATOM 871 N THR A 436 1.685 -12.082 -5.064 1.00 0.33 N ATOM 872 CA THR A 436 2.285 -12.951 -4.011 1.00 0.36 C ATOM 873 C THR A 436 1.533 -14.280 -3.936 1.00 0.36 C ATOM 874 O THR A 436 2.075 -15.327 -4.231 1.00 0.40 O ATOM 875 CB THR A 436 2.124 -12.169 -2.707 1.00 0.38 C ATOM 876 OG1 THR A 436 2.564 -10.832 -2.902 1.00 0.39 O ATOM 877 CG2 THR A 436 2.956 -12.827 -1.606 1.00 0.49 C ATOM 0 H THR A 436 1.318 -11.189 -4.735 1.00 0.33 H new ATOM 0 HA THR A 436 3.330 -13.186 -4.216 1.00 0.36 H new ATOM 0 HB THR A 436 1.075 -12.168 -2.412 1.00 0.38 H new ATOM 0 HG1 THR A 436 1.787 -10.238 -2.964 1.00 0.39 H new ATOM 0 HG21 THR A 436 2.839 -12.267 -0.678 1.00 0.49 H new ATOM 0 HG22 THR A 436 2.617 -13.852 -1.457 1.00 0.49 H new ATOM 0 HG23 THR A 436 4.006 -12.831 -1.897 1.00 0.49 H new ATOM 885 N ALA A 437 0.287 -14.249 -3.547 1.00 0.34 N ATOM 886 CA ALA A 437 -0.493 -15.515 -3.461 1.00 0.36 C ATOM 887 C ALA A 437 -0.432 -16.254 -4.799 1.00 0.36 C ATOM 888 O ALA A 437 -0.297 -17.461 -4.843 1.00 0.41 O ATOM 889 CB ALA A 437 -1.925 -15.082 -3.145 1.00 0.35 C ATOM 0 H ALA A 437 -0.222 -13.405 -3.286 1.00 0.34 H new ATOM 0 HA ALA A 437 -0.103 -16.194 -2.703 1.00 0.36 H new ATOM 0 HB1 ALA A 437 -2.562 -15.963 -3.066 1.00 0.35 H new ATOM 0 HB2 ALA A 437 -1.940 -14.537 -2.201 1.00 0.35 H new ATOM 0 HB3 ALA A 437 -2.294 -14.437 -3.942 1.00 0.35 H new ATOM 895 N LEU A 438 -0.514 -15.543 -5.892 1.00 0.34 N ATOM 896 CA LEU A 438 -0.440 -16.227 -7.210 1.00 0.36 C ATOM 897 C LEU A 438 0.900 -16.950 -7.330 1.00 0.42 C ATOM 898 O LEU A 438 0.979 -18.044 -7.851 1.00 0.46 O ATOM 899 CB LEU A 438 -0.555 -15.123 -8.269 1.00 0.36 C ATOM 900 CG LEU A 438 -0.288 -15.715 -9.661 1.00 0.41 C ATOM 901 CD1 LEU A 438 -1.205 -16.920 -9.902 1.00 0.42 C ATOM 902 CD2 LEU A 438 -0.563 -14.659 -10.732 1.00 0.45 C ATOM 0 H LEU A 438 -0.628 -14.530 -5.927 1.00 0.34 H new ATOM 0 HA LEU A 438 -1.230 -16.968 -7.333 1.00 0.36 H new ATOM 0 HB2 LEU A 438 -1.549 -14.676 -8.237 1.00 0.36 H new ATOM 0 HB3 LEU A 438 0.159 -14.327 -8.058 1.00 0.36 H new ATOM 0 HG LEU A 438 0.753 -16.033 -9.714 1.00 0.41 H new ATOM 0 HD11 LEU A 438 -1.009 -17.334 -10.891 1.00 0.42 H new ATOM 0 HD12 LEU A 438 -1.012 -17.681 -9.146 1.00 0.42 H new ATOM 0 HD13 LEU A 438 -2.246 -16.603 -9.841 1.00 0.42 H new ATOM 0 HD21 LEU A 438 -0.372 -15.083 -11.718 1.00 0.45 H new ATOM 0 HD22 LEU A 438 -1.603 -14.339 -10.669 1.00 0.45 H new ATOM 0 HD23 LEU A 438 0.090 -13.801 -10.573 1.00 0.45 H new ATOM 914 N ARG A 439 1.959 -16.354 -6.843 1.00 0.43 N ATOM 915 CA ARG A 439 3.290 -17.024 -6.925 1.00 0.51 C ATOM 916 C ARG A 439 3.174 -18.450 -6.385 1.00 0.54 C ATOM 917 O ARG A 439 3.736 -19.381 -6.926 1.00 0.61 O ATOM 918 CB ARG A 439 4.222 -16.186 -6.048 1.00 0.52 C ATOM 919 CG ARG A 439 5.653 -16.716 -6.172 1.00 0.77 C ATOM 920 CD ARG A 439 6.409 -16.464 -4.864 1.00 1.28 C ATOM 921 NE ARG A 439 7.842 -16.382 -5.259 1.00 1.74 N ATOM 922 CZ ARG A 439 8.692 -17.268 -4.817 1.00 2.28 C ATOM 923 NH1 ARG A 439 8.801 -18.423 -5.416 1.00 2.89 N ATOM 924 NH2 ARG A 439 9.432 -17.000 -3.777 1.00 2.82 N ATOM 0 H ARG A 439 1.959 -15.438 -6.395 1.00 0.43 H new ATOM 0 HA ARG A 439 3.663 -17.091 -7.947 1.00 0.51 H new ATOM 0 HB2 ARG A 439 4.183 -15.140 -6.353 1.00 0.52 H new ATOM 0 HB3 ARG A 439 3.896 -16.228 -5.009 1.00 0.52 H new ATOM 0 HG2 ARG A 439 5.638 -17.783 -6.396 1.00 0.77 H new ATOM 0 HG3 ARG A 439 6.164 -16.224 -7.000 1.00 0.77 H new ATOM 0 HD2 ARG A 439 6.077 -15.542 -4.387 1.00 1.28 H new ATOM 0 HD3 ARG A 439 6.242 -17.270 -4.149 1.00 1.28 H new ATOM 0 HE ARG A 439 8.159 -15.633 -5.875 1.00 1.74 H new ATOM 0 HH11 ARG A 439 8.222 -18.632 -6.229 1.00 2.89 H new ATOM 0 HH12 ARG A 439 9.465 -19.116 -5.071 1.00 2.89 H new ATOM 0 HH21 ARG A 439 9.346 -16.098 -3.309 1.00 2.82 H new ATOM 0 HH22 ARG A 439 10.096 -17.693 -3.432 1.00 2.82 H new ATOM 938 N HIS A 440 2.419 -18.628 -5.334 1.00 0.52 N ATOM 939 CA HIS A 440 2.235 -19.994 -4.778 1.00 0.57 C ATOM 940 C HIS A 440 1.586 -20.872 -5.850 1.00 0.58 C ATOM 941 O HIS A 440 1.837 -22.058 -5.943 1.00 0.64 O ATOM 942 CB HIS A 440 1.301 -19.811 -3.580 1.00 0.56 C ATOM 943 CG HIS A 440 1.082 -21.138 -2.909 1.00 0.63 C ATOM 944 ND1 HIS A 440 2.124 -21.868 -2.362 1.00 1.04 N ATOM 945 CD2 HIS A 440 -0.052 -21.880 -2.693 1.00 0.82 C ATOM 946 CE1 HIS A 440 1.601 -22.995 -1.845 1.00 0.96 C ATOM 947 NE2 HIS A 440 0.278 -23.053 -2.020 1.00 0.75 N ATOM 0 H HIS A 440 1.924 -17.886 -4.839 1.00 0.52 H new ATOM 0 HA HIS A 440 3.169 -20.471 -4.479 1.00 0.57 H new ATOM 0 HB2 HIS A 440 1.732 -19.101 -2.874 1.00 0.56 H new ATOM 0 HB3 HIS A 440 0.348 -19.396 -3.908 1.00 0.56 H new ATOM 0 HD2 HIS A 440 -1.048 -21.597 -2.999 1.00 0.82 H new ATOM 0 HE1 HIS A 440 2.180 -23.760 -1.349 1.00 0.96 H new ATOM 0 HE2 HIS A 440 -0.354 -23.797 -1.724 1.00 0.75 H new ATOM 955 N THR A 441 0.768 -20.276 -6.675 1.00 0.54 N ATOM 956 CA THR A 441 0.101 -21.035 -7.772 1.00 0.55 C ATOM 957 C THR A 441 0.366 -20.318 -9.099 1.00 0.56 C ATOM 958 O THR A 441 -0.539 -20.054 -9.865 1.00 0.55 O ATOM 959 CB THR A 441 -1.395 -21.011 -7.437 1.00 0.53 C ATOM 960 OG1 THR A 441 -1.891 -19.689 -7.597 1.00 0.48 O ATOM 961 CG2 THR A 441 -1.617 -21.467 -5.994 1.00 0.54 C ATOM 0 H THR A 441 0.531 -19.285 -6.635 1.00 0.54 H new ATOM 0 HA THR A 441 0.467 -22.058 -7.862 1.00 0.55 H new ATOM 0 HB THR A 441 -1.923 -21.687 -8.109 1.00 0.53 H new ATOM 0 HG1 THR A 441 -1.894 -19.454 -8.548 1.00 0.48 H new ATOM 0 HG21 THR A 441 -2.683 -21.446 -5.766 1.00 0.54 H new ATOM 0 HG22 THR A 441 -1.239 -22.482 -5.871 1.00 0.54 H new ATOM 0 HG23 THR A 441 -1.088 -20.798 -5.315 1.00 0.54 H new ATOM 969 N GLN A 442 1.604 -19.979 -9.352 1.00 0.59 N ATOM 970 CA GLN A 442 1.967 -19.251 -10.607 1.00 0.62 C ATOM 971 C GLN A 442 1.220 -19.804 -11.826 1.00 0.64 C ATOM 972 O GLN A 442 1.296 -20.977 -12.138 1.00 0.69 O ATOM 973 CB GLN A 442 3.472 -19.474 -10.764 1.00 0.69 C ATOM 974 CG GLN A 442 4.146 -18.159 -11.160 1.00 1.43 C ATOM 975 CD GLN A 442 5.468 -18.458 -11.871 1.00 1.79 C ATOM 976 OE1 GLN A 442 5.775 -19.599 -12.154 1.00 2.16 O ATOM 977 NE2 GLN A 442 6.268 -17.473 -12.174 1.00 2.47 N ATOM 0 H GLN A 442 2.390 -20.178 -8.734 1.00 0.59 H new ATOM 0 HA GLN A 442 1.697 -18.197 -10.545 1.00 0.62 H new ATOM 0 HB2 GLN A 442 3.895 -19.844 -9.830 1.00 0.69 H new ATOM 0 HB3 GLN A 442 3.660 -20.234 -11.522 1.00 0.69 H new ATOM 0 HG2 GLN A 442 3.490 -17.584 -11.814 1.00 1.43 H new ATOM 0 HG3 GLN A 442 4.327 -17.549 -10.275 1.00 1.43 H new ATOM 0 HE21 GLN A 442 6.010 -16.515 -11.936 1.00 2.47 H new ATOM 0 HE22 GLN A 442 7.151 -17.661 -12.648 1.00 2.47 H new ATOM 986 N GLY A 443 0.507 -18.960 -12.523 1.00 0.63 N ATOM 987 CA GLY A 443 -0.236 -19.420 -13.730 1.00 0.66 C ATOM 988 C GLY A 443 -1.642 -19.876 -13.339 1.00 0.64 C ATOM 989 O GLY A 443 -2.610 -19.568 -14.008 1.00 0.66 O ATOM 0 H GLY A 443 0.407 -17.968 -12.307 1.00 0.63 H new ATOM 0 HA2 GLY A 443 -0.297 -18.612 -14.459 1.00 0.66 H new ATOM 0 HA3 GLY A 443 0.301 -20.240 -14.207 1.00 0.66 H new ATOM 993 N HIS A 444 -1.770 -20.610 -12.268 1.00 0.62 N ATOM 994 CA HIS A 444 -3.121 -21.083 -11.849 1.00 0.62 C ATOM 995 C HIS A 444 -4.094 -19.903 -11.774 1.00 0.67 C ATOM 996 O HIS A 444 -5.176 -19.948 -12.324 1.00 1.34 O ATOM 997 CB HIS A 444 -2.917 -21.696 -10.465 1.00 0.63 C ATOM 998 CG HIS A 444 -1.954 -22.848 -10.560 1.00 0.95 C ATOM 999 ND1 HIS A 444 -1.752 -23.730 -9.509 1.00 1.52 N ATOM 1000 CD2 HIS A 444 -1.132 -23.277 -11.572 1.00 1.62 C ATOM 1001 CE1 HIS A 444 -0.841 -24.636 -9.910 1.00 1.77 C ATOM 1002 NE2 HIS A 444 -0.430 -24.407 -11.159 1.00 1.86 N ATOM 0 H HIS A 444 -1.000 -20.902 -11.666 1.00 0.62 H new ATOM 0 HA HIS A 444 -3.543 -21.800 -12.553 1.00 0.62 H new ATOM 0 HB2 HIS A 444 -2.533 -20.944 -9.776 1.00 0.63 H new ATOM 0 HB3 HIS A 444 -3.871 -22.038 -10.064 1.00 0.63 H new ATOM 0 HD2 HIS A 444 -1.043 -22.809 -12.541 1.00 1.62 H new ATOM 0 HE1 HIS A 444 -0.486 -25.450 -9.295 1.00 1.77 H new ATOM 0 HE2 HIS A 444 0.251 -24.944 -11.696 1.00 1.86 H new ATOM 1010 N LYS A 445 -3.711 -18.847 -11.099 1.00 0.62 N ATOM 1011 CA LYS A 445 -4.600 -17.647 -10.974 1.00 0.51 C ATOM 1012 C LYS A 445 -5.862 -17.996 -10.177 1.00 0.51 C ATOM 1013 O LYS A 445 -6.059 -17.525 -9.074 1.00 0.57 O ATOM 1014 CB LYS A 445 -4.960 -17.237 -12.406 1.00 0.62 C ATOM 1015 CG LYS A 445 -5.474 -15.796 -12.410 1.00 1.31 C ATOM 1016 CD LYS A 445 -6.604 -15.661 -13.432 1.00 1.56 C ATOM 1017 CE LYS A 445 -6.014 -15.630 -14.843 1.00 2.23 C ATOM 1018 NZ LYS A 445 -5.869 -14.183 -15.167 1.00 2.52 N ATOM 0 H LYS A 445 -2.812 -18.763 -10.624 1.00 0.62 H new ATOM 0 HA LYS A 445 -4.104 -16.835 -10.443 1.00 0.51 H new ATOM 0 HB2 LYS A 445 -4.086 -17.324 -13.051 1.00 0.62 H new ATOM 0 HB3 LYS A 445 -5.721 -17.907 -12.807 1.00 0.62 H new ATOM 0 HG2 LYS A 445 -5.833 -15.524 -11.417 1.00 1.31 H new ATOM 0 HG3 LYS A 445 -4.663 -15.110 -12.655 1.00 1.31 H new ATOM 0 HD2 LYS A 445 -7.298 -16.496 -13.335 1.00 1.56 H new ATOM 0 HD3 LYS A 445 -7.172 -14.750 -13.244 1.00 1.56 H new ATOM 0 HE2 LYS A 445 -5.052 -16.141 -14.880 1.00 2.23 H new ATOM 0 HE3 LYS A 445 -6.669 -16.131 -15.556 1.00 2.23 H new ATOM 0 HZ1 LYS A 445 -5.469 -14.079 -16.122 1.00 2.52 H new ATOM 0 HZ2 LYS A 445 -6.801 -13.724 -15.130 1.00 2.52 H new ATOM 0 HZ3 LYS A 445 -5.235 -13.734 -14.476 1.00 2.52 H new ATOM 1032 N GLN A 446 -6.719 -18.819 -10.722 1.00 0.53 N ATOM 1033 CA GLN A 446 -7.964 -19.197 -9.992 1.00 0.56 C ATOM 1034 C GLN A 446 -7.624 -19.671 -8.576 1.00 0.52 C ATOM 1035 O GLN A 446 -8.328 -19.381 -7.628 1.00 0.51 O ATOM 1036 CB GLN A 446 -8.568 -20.339 -10.809 1.00 0.64 C ATOM 1037 CG GLN A 446 -10.051 -20.059 -11.064 1.00 1.11 C ATOM 1038 CD GLN A 446 -10.827 -21.377 -11.072 1.00 1.79 C ATOM 1039 OE1 GLN A 446 -10.308 -22.403 -10.680 1.00 2.45 O ATOM 1040 NE2 GLN A 446 -12.057 -21.392 -11.507 1.00 2.40 N ATOM 0 H GLN A 446 -6.610 -19.246 -11.642 1.00 0.53 H new ATOM 0 HA GLN A 446 -8.654 -18.359 -9.889 1.00 0.56 H new ATOM 0 HB2 GLN A 446 -8.039 -20.441 -11.756 1.00 0.64 H new ATOM 0 HB3 GLN A 446 -8.452 -21.282 -10.275 1.00 0.64 H new ATOM 0 HG2 GLN A 446 -10.445 -19.398 -10.292 1.00 1.11 H new ATOM 0 HG3 GLN A 446 -10.176 -19.546 -12.017 1.00 1.11 H new ATOM 0 HE21 GLN A 446 -12.492 -20.530 -11.836 1.00 2.40 H new ATOM 0 HE22 GLN A 446 -12.583 -22.266 -11.518 1.00 2.40 H new ATOM 1049 N GLU A 447 -6.548 -20.395 -8.424 1.00 0.52 N ATOM 1050 CA GLU A 447 -6.162 -20.879 -7.069 1.00 0.51 C ATOM 1051 C GLU A 447 -6.034 -19.693 -6.112 1.00 0.45 C ATOM 1052 O GLU A 447 -6.417 -19.766 -4.961 1.00 0.45 O ATOM 1053 CB GLU A 447 -4.810 -21.565 -7.261 1.00 0.53 C ATOM 1054 CG GLU A 447 -4.846 -22.951 -6.616 1.00 0.80 C ATOM 1055 CD GLU A 447 -4.818 -22.807 -5.094 1.00 1.32 C ATOM 1056 OE1 GLU A 447 -5.637 -22.067 -4.573 1.00 2.14 O ATOM 1057 OE2 GLU A 447 -3.978 -23.438 -4.474 1.00 1.96 O ATOM 0 H GLU A 447 -5.921 -20.672 -9.179 1.00 0.52 H new ATOM 0 HA GLU A 447 -6.901 -21.558 -6.643 1.00 0.51 H new ATOM 0 HB2 GLU A 447 -4.582 -21.652 -8.323 1.00 0.53 H new ATOM 0 HB3 GLU A 447 -4.018 -20.964 -6.813 1.00 0.53 H new ATOM 0 HG2 GLU A 447 -5.745 -23.484 -6.925 1.00 0.80 H new ATOM 0 HG3 GLU A 447 -3.994 -23.542 -6.952 1.00 0.80 H new ATOM 1064 N ALA A 448 -5.506 -18.595 -6.583 1.00 0.42 N ATOM 1065 CA ALA A 448 -5.360 -17.400 -5.702 1.00 0.39 C ATOM 1066 C ALA A 448 -6.707 -17.058 -5.061 1.00 0.40 C ATOM 1067 O ALA A 448 -6.772 -16.438 -4.018 1.00 0.40 O ATOM 1068 CB ALA A 448 -4.906 -16.273 -6.630 1.00 0.39 C ATOM 0 H ALA A 448 -5.170 -18.474 -7.538 1.00 0.42 H new ATOM 0 HA ALA A 448 -4.651 -17.566 -4.891 1.00 0.39 H new ATOM 0 HB1 ALA A 448 -4.776 -15.357 -6.054 1.00 0.39 H new ATOM 0 HB2 ALA A 448 -3.959 -16.545 -7.097 1.00 0.39 H new ATOM 0 HB3 ALA A 448 -5.658 -16.112 -7.402 1.00 0.39 H new ATOM 1074 N ALA A 449 -7.782 -17.466 -5.678 1.00 0.44 N ATOM 1075 CA ALA A 449 -9.129 -17.175 -5.109 1.00 0.47 C ATOM 1076 C ALA A 449 -9.193 -17.632 -3.649 1.00 0.48 C ATOM 1077 O ALA A 449 -9.300 -16.833 -2.741 1.00 0.49 O ATOM 1078 CB ALA A 449 -10.098 -17.991 -5.966 1.00 0.52 C ATOM 0 H ALA A 449 -7.786 -17.989 -6.553 1.00 0.44 H new ATOM 0 HA ALA A 449 -9.365 -16.111 -5.121 1.00 0.47 H new ATOM 0 HB1 ALA A 449 -11.117 -17.834 -5.613 1.00 0.52 H new ATOM 0 HB2 ALA A 449 -10.021 -17.673 -7.006 1.00 0.52 H new ATOM 0 HB3 ALA A 449 -9.847 -19.049 -5.891 1.00 0.52 H new ATOM 1084 N ARG A 450 -9.125 -18.915 -3.420 1.00 0.49 N ATOM 1085 CA ARG A 450 -9.179 -19.427 -2.022 1.00 0.52 C ATOM 1086 C ARG A 450 -8.010 -18.865 -1.210 1.00 0.49 C ATOM 1087 O ARG A 450 -8.144 -18.554 -0.043 1.00 0.50 O ATOM 1088 CB ARG A 450 -9.057 -20.946 -2.156 1.00 0.56 C ATOM 1089 CG ARG A 450 -9.261 -21.600 -0.787 1.00 0.78 C ATOM 1090 CD ARG A 450 -9.114 -23.117 -0.918 1.00 1.37 C ATOM 1091 NE ARG A 450 -9.235 -23.637 0.471 1.00 1.77 N ATOM 1092 CZ ARG A 450 -8.992 -24.894 0.721 1.00 2.35 C ATOM 1093 NH1 ARG A 450 -7.968 -25.483 0.165 1.00 2.93 N ATOM 1094 NH2 ARG A 450 -9.772 -25.563 1.524 1.00 2.97 N ATOM 0 H ARG A 450 -9.034 -19.631 -4.141 1.00 0.49 H new ATOM 0 HA ARG A 450 -10.094 -19.134 -1.507 1.00 0.52 H new ATOM 0 HB2 ARG A 450 -9.798 -21.320 -2.863 1.00 0.56 H new ATOM 0 HB3 ARG A 450 -8.077 -21.209 -2.553 1.00 0.56 H new ATOM 0 HG2 ARG A 450 -8.531 -21.214 -0.075 1.00 0.78 H new ATOM 0 HG3 ARG A 450 -10.248 -21.352 -0.397 1.00 0.78 H new ATOM 0 HD2 ARG A 450 -9.886 -23.534 -1.564 1.00 1.37 H new ATOM 0 HD3 ARG A 450 -8.153 -23.384 -1.357 1.00 1.37 H new ATOM 0 HE ARG A 450 -9.508 -23.010 1.228 1.00 1.77 H new ATOM 0 HH11 ARG A 450 -7.359 -24.960 -0.464 1.00 2.93 H new ATOM 0 HH12 ARG A 450 -7.777 -26.466 0.360 1.00 2.93 H new ATOM 0 HH21 ARG A 450 -10.573 -25.103 1.957 1.00 2.97 H new ATOM 0 HH22 ARG A 450 -9.581 -26.546 1.719 1.00 2.97 H new ATOM 1108 N LEU A 451 -6.863 -18.731 -1.818 1.00 0.47 N ATOM 1109 CA LEU A 451 -5.686 -18.189 -1.082 1.00 0.47 C ATOM 1110 C LEU A 451 -6.021 -16.819 -0.488 1.00 0.44 C ATOM 1111 O LEU A 451 -5.475 -16.420 0.522 1.00 0.48 O ATOM 1112 CB LEU A 451 -4.584 -18.064 -2.135 1.00 0.46 C ATOM 1113 CG LEU A 451 -3.593 -19.217 -1.975 1.00 0.53 C ATOM 1114 CD1 LEU A 451 -3.924 -20.319 -2.984 1.00 0.92 C ATOM 1115 CD2 LEU A 451 -2.172 -18.707 -2.227 1.00 1.04 C ATOM 0 H LEU A 451 -6.690 -18.974 -2.794 1.00 0.47 H new ATOM 0 HA LEU A 451 -5.385 -18.829 -0.253 1.00 0.47 H new ATOM 0 HB2 LEU A 451 -5.018 -18.080 -3.135 1.00 0.46 H new ATOM 0 HB3 LEU A 451 -4.069 -17.110 -2.026 1.00 0.46 H new ATOM 0 HG LEU A 451 -3.663 -19.617 -0.963 1.00 0.53 H new ATOM 0 HD11 LEU A 451 -3.217 -21.141 -2.870 1.00 0.92 H new ATOM 0 HD12 LEU A 451 -4.936 -20.683 -2.806 1.00 0.92 H new ATOM 0 HD13 LEU A 451 -3.855 -19.919 -3.996 1.00 0.92 H new ATOM 0 HD21 LEU A 451 -1.465 -19.529 -2.113 1.00 1.04 H new ATOM 0 HD22 LEU A 451 -2.103 -18.307 -3.238 1.00 1.04 H new ATOM 0 HD23 LEU A 451 -1.935 -17.922 -1.509 1.00 1.04 H new ATOM 1127 N LEU A 452 -6.915 -16.095 -1.103 1.00 0.42 N ATOM 1128 CA LEU A 452 -7.284 -14.752 -0.570 1.00 0.41 C ATOM 1129 C LEU A 452 -8.740 -14.749 -0.092 1.00 0.46 C ATOM 1130 O LEU A 452 -9.334 -13.708 0.103 1.00 0.51 O ATOM 1131 CB LEU A 452 -7.113 -13.791 -1.748 1.00 0.37 C ATOM 1132 CG LEU A 452 -5.684 -13.875 -2.287 1.00 0.35 C ATOM 1133 CD1 LEU A 452 -5.701 -13.681 -3.804 1.00 0.31 C ATOM 1134 CD2 LEU A 452 -4.832 -12.780 -1.643 1.00 0.43 C ATOM 0 H LEU A 452 -7.406 -16.375 -1.952 1.00 0.42 H new ATOM 0 HA LEU A 452 -6.666 -14.469 0.282 1.00 0.41 H new ATOM 0 HB2 LEU A 452 -7.823 -14.039 -2.537 1.00 0.37 H new ATOM 0 HB3 LEU A 452 -7.332 -12.771 -1.431 1.00 0.37 H new ATOM 0 HG LEU A 452 -5.262 -14.851 -2.049 1.00 0.35 H new ATOM 0 HD11 LEU A 452 -4.683 -13.741 -4.190 1.00 0.31 H new ATOM 0 HD12 LEU A 452 -6.309 -14.460 -4.264 1.00 0.31 H new ATOM 0 HD13 LEU A 452 -6.122 -12.704 -4.041 1.00 0.31 H new ATOM 0 HD21 LEU A 452 -3.813 -12.839 -2.026 1.00 0.43 H new ATOM 0 HD22 LEU A 452 -5.254 -11.804 -1.881 1.00 0.43 H new ATOM 0 HD23 LEU A 452 -4.821 -12.916 -0.562 1.00 0.43 H new ATOM 1146 N GLY A 453 -9.323 -15.904 0.095 1.00 0.50 N ATOM 1147 CA GLY A 453 -10.742 -15.957 0.554 1.00 0.56 C ATOM 1148 C GLY A 453 -11.611 -15.128 -0.394 1.00 0.58 C ATOM 1149 O GLY A 453 -12.526 -14.444 0.021 1.00 0.68 O ATOM 0 H GLY A 453 -8.879 -16.811 -0.050 1.00 0.50 H new ATOM 0 HA2 GLY A 453 -11.091 -16.989 0.576 1.00 0.56 H new ATOM 0 HA3 GLY A 453 -10.822 -15.571 1.570 1.00 0.56 H new ATOM 1153 N TRP A 454 -11.324 -15.179 -1.664 1.00 0.54 N ATOM 1154 CA TRP A 454 -12.122 -14.390 -2.648 1.00 0.60 C ATOM 1155 C TRP A 454 -13.046 -15.308 -3.453 1.00 0.68 C ATOM 1156 O TRP A 454 -14.242 -15.343 -3.245 1.00 1.16 O ATOM 1157 CB TRP A 454 -11.082 -13.754 -3.573 1.00 0.53 C ATOM 1158 CG TRP A 454 -10.622 -12.441 -3.017 1.00 0.53 C ATOM 1159 CD1 TRP A 454 -10.640 -12.089 -1.707 1.00 0.58 C ATOM 1160 CD2 TRP A 454 -10.070 -11.302 -3.739 1.00 0.50 C ATOM 1161 NE1 TRP A 454 -10.135 -10.806 -1.578 1.00 0.58 N ATOM 1162 CE2 TRP A 454 -9.768 -10.275 -2.798 1.00 0.52 C ATOM 1163 CE3 TRP A 454 -9.801 -11.057 -5.111 1.00 0.51 C ATOM 1164 CZ2 TRP A 454 -9.218 -9.045 -3.204 1.00 0.52 C ATOM 1165 CZ3 TRP A 454 -9.248 -9.821 -5.524 1.00 0.53 C ATOM 1166 CH2 TRP A 454 -8.957 -8.817 -4.570 1.00 0.52 C ATOM 0 H TRP A 454 -10.569 -15.734 -2.066 1.00 0.54 H new ATOM 0 HA TRP A 454 -12.756 -13.650 -2.159 1.00 0.60 H new ATOM 0 HB2 TRP A 454 -10.231 -14.425 -3.690 1.00 0.53 H new ATOM 0 HB3 TRP A 454 -11.510 -13.606 -4.565 1.00 0.53 H new ATOM 0 HD1 TRP A 454 -10.991 -12.709 -0.896 1.00 0.58 H new ATOM 0 HE1 TRP A 454 -10.045 -10.313 -0.689 1.00 0.58 H new ATOM 0 HE3 TRP A 454 -10.020 -11.819 -5.845 1.00 0.51 H new ATOM 0 HZ2 TRP A 454 -8.997 -8.281 -2.474 1.00 0.52 H new ATOM 0 HZ3 TRP A 454 -9.048 -9.644 -6.570 1.00 0.53 H new ATOM 0 HH2 TRP A 454 -8.535 -7.876 -4.889 1.00 0.52 H new ATOM 1177 N GLY A 455 -12.494 -16.039 -4.381 1.00 0.72 N ATOM 1178 CA GLY A 455 -13.326 -16.947 -5.220 1.00 0.72 C ATOM 1179 C GLY A 455 -12.972 -16.713 -6.689 1.00 0.70 C ATOM 1180 O GLY A 455 -12.030 -16.016 -6.999 1.00 0.64 O ATOM 0 H GLY A 455 -11.497 -16.047 -4.596 1.00 0.72 H new ATOM 0 HA2 GLY A 455 -13.144 -17.987 -4.948 1.00 0.72 H new ATOM 0 HA3 GLY A 455 -14.385 -16.754 -5.051 1.00 0.72 H new ATOM 1184 N ALA A 456 -13.713 -17.282 -7.599 1.00 0.77 N ATOM 1185 CA ALA A 456 -13.402 -17.071 -9.042 1.00 0.77 C ATOM 1186 C ALA A 456 -14.163 -15.850 -9.562 1.00 0.82 C ATOM 1187 O ALA A 456 -13.682 -15.117 -10.402 1.00 0.83 O ATOM 1188 CB ALA A 456 -13.876 -18.344 -9.743 1.00 0.84 C ATOM 0 H ALA A 456 -14.516 -17.881 -7.408 1.00 0.77 H new ATOM 0 HA ALA A 456 -12.342 -16.887 -9.218 1.00 0.77 H new ATOM 0 HB1 ALA A 456 -13.681 -18.265 -10.812 1.00 0.84 H new ATOM 0 HB2 ALA A 456 -13.340 -19.203 -9.339 1.00 0.84 H new ATOM 0 HB3 ALA A 456 -14.946 -18.473 -9.578 1.00 0.84 H new ATOM 1194 N ALA A 457 -15.348 -15.626 -9.064 1.00 0.90 N ATOM 1195 CA ALA A 457 -16.137 -14.448 -9.522 1.00 0.97 C ATOM 1196 C ALA A 457 -15.496 -13.161 -9.001 1.00 0.89 C ATOM 1197 O ALA A 457 -15.430 -12.163 -9.690 1.00 0.91 O ATOM 1198 CB ALA A 457 -17.527 -14.641 -8.916 1.00 1.08 C ATOM 0 H ALA A 457 -15.804 -16.207 -8.360 1.00 0.90 H new ATOM 0 HA ALA A 457 -16.178 -14.370 -10.608 1.00 0.97 H new ATOM 0 HB1 ALA A 457 -18.170 -13.811 -9.208 1.00 1.08 H new ATOM 0 HB2 ALA A 457 -17.955 -15.576 -9.277 1.00 1.08 H new ATOM 0 HB3 ALA A 457 -17.449 -14.674 -7.829 1.00 1.08 H new ATOM 1204 N THR A 458 -15.018 -13.179 -7.785 1.00 0.84 N ATOM 1205 CA THR A 458 -14.375 -11.961 -7.219 1.00 0.77 C ATOM 1206 C THR A 458 -13.032 -11.712 -7.911 1.00 0.68 C ATOM 1207 O THR A 458 -12.762 -10.629 -8.392 1.00 0.67 O ATOM 1208 CB THR A 458 -14.166 -12.274 -5.736 1.00 0.76 C ATOM 1209 OG1 THR A 458 -15.429 -12.460 -5.111 1.00 0.85 O ATOM 1210 CG2 THR A 458 -13.429 -11.114 -5.065 1.00 0.72 C ATOM 0 H THR A 458 -15.046 -13.985 -7.161 1.00 0.84 H new ATOM 0 HA THR A 458 -14.981 -11.066 -7.362 1.00 0.77 H new ATOM 0 HB THR A 458 -13.573 -13.183 -5.637 1.00 0.76 H new ATOM 0 HG1 THR A 458 -15.297 -12.662 -4.161 1.00 0.85 H new ATOM 0 HG21 THR A 458 -13.281 -11.339 -4.009 1.00 0.72 H new ATOM 0 HG22 THR A 458 -12.461 -10.972 -5.545 1.00 0.72 H new ATOM 0 HG23 THR A 458 -14.019 -10.203 -5.163 1.00 0.72 H new ATOM 1218 N LEU A 459 -12.189 -12.709 -7.968 1.00 0.64 N ATOM 1219 CA LEU A 459 -10.865 -12.533 -8.634 1.00 0.57 C ATOM 1220 C LEU A 459 -11.051 -11.934 -10.031 1.00 0.60 C ATOM 1221 O LEU A 459 -10.172 -11.284 -10.562 1.00 0.58 O ATOM 1222 CB LEU A 459 -10.280 -13.944 -8.724 1.00 0.56 C ATOM 1223 CG LEU A 459 -8.942 -13.987 -7.984 1.00 0.47 C ATOM 1224 CD1 LEU A 459 -8.729 -15.381 -7.397 1.00 0.48 C ATOM 1225 CD2 LEU A 459 -7.808 -13.673 -8.957 1.00 0.46 C ATOM 0 H LEU A 459 -12.360 -13.638 -7.582 1.00 0.64 H new ATOM 0 HA LEU A 459 -10.211 -11.855 -8.086 1.00 0.57 H new ATOM 0 HB2 LEU A 459 -10.972 -14.665 -8.289 1.00 0.56 H new ATOM 0 HB3 LEU A 459 -10.140 -14.226 -9.768 1.00 0.56 H new ATOM 0 HG LEU A 459 -8.950 -13.248 -7.182 1.00 0.47 H new ATOM 0 HD11 LEU A 459 -7.776 -15.412 -6.870 1.00 0.48 H new ATOM 0 HD12 LEU A 459 -9.536 -15.610 -6.701 1.00 0.48 H new ATOM 0 HD13 LEU A 459 -8.723 -16.117 -8.201 1.00 0.48 H new ATOM 0 HD21 LEU A 459 -6.856 -13.704 -8.428 1.00 0.46 H new ATOM 0 HD22 LEU A 459 -7.802 -14.411 -9.759 1.00 0.46 H new ATOM 0 HD23 LEU A 459 -7.956 -12.679 -9.380 1.00 0.46 H new ATOM 1237 N THR A 460 -12.194 -12.144 -10.625 1.00 0.68 N ATOM 1238 CA THR A 460 -12.443 -11.583 -11.984 1.00 0.74 C ATOM 1239 C THR A 460 -13.066 -10.191 -11.864 1.00 0.76 C ATOM 1240 O THR A 460 -12.613 -9.242 -12.473 1.00 0.75 O ATOM 1241 CB THR A 460 -13.421 -12.561 -12.639 1.00 0.83 C ATOM 1242 OG1 THR A 460 -12.784 -13.819 -12.815 1.00 0.82 O ATOM 1243 CG2 THR A 460 -13.862 -12.017 -13.998 1.00 0.92 C ATOM 0 H THR A 460 -12.966 -12.680 -10.228 1.00 0.68 H new ATOM 0 HA THR A 460 -11.529 -11.474 -12.568 1.00 0.74 H new ATOM 0 HB THR A 460 -14.295 -12.681 -11.999 1.00 0.83 H new ATOM 0 HG1 THR A 460 -13.005 -14.406 -12.062 1.00 0.82 H new ATOM 0 HG21 THR A 460 -14.558 -12.716 -14.461 1.00 0.92 H new ATOM 0 HG22 THR A 460 -14.352 -11.053 -13.862 1.00 0.92 H new ATOM 0 HG23 THR A 460 -12.990 -11.894 -14.641 1.00 0.92 H new ATOM 1251 N ALA A 461 -14.102 -10.061 -11.080 1.00 0.81 N ATOM 1252 CA ALA A 461 -14.751 -8.729 -10.918 1.00 0.85 C ATOM 1253 C ALA A 461 -13.761 -7.736 -10.303 1.00 0.79 C ATOM 1254 O ALA A 461 -13.759 -6.565 -10.625 1.00 0.83 O ATOM 1255 CB ALA A 461 -15.927 -8.974 -9.973 1.00 0.92 C ATOM 0 H ALA A 461 -14.526 -10.819 -10.545 1.00 0.81 H new ATOM 0 HA ALA A 461 -15.077 -8.306 -11.868 1.00 0.85 H new ATOM 0 HB1 ALA A 461 -16.458 -8.038 -9.803 1.00 0.92 H new ATOM 0 HB2 ALA A 461 -16.606 -9.701 -10.418 1.00 0.92 H new ATOM 0 HB3 ALA A 461 -15.556 -9.359 -9.023 1.00 0.92 H new ATOM 1261 N LYS A 462 -12.917 -8.199 -9.422 1.00 0.72 N ATOM 1262 CA LYS A 462 -11.925 -7.284 -8.787 1.00 0.68 C ATOM 1263 C LYS A 462 -10.902 -6.817 -9.826 1.00 0.66 C ATOM 1264 O LYS A 462 -10.291 -5.775 -9.685 1.00 0.67 O ATOM 1265 CB LYS A 462 -11.245 -8.125 -7.706 1.00 0.66 C ATOM 1266 CG LYS A 462 -12.052 -8.041 -6.409 1.00 0.99 C ATOM 1267 CD LYS A 462 -11.773 -6.705 -5.719 1.00 0.91 C ATOM 1268 CE LYS A 462 -12.324 -6.741 -4.292 1.00 1.31 C ATOM 1269 NZ LYS A 462 -11.287 -6.069 -3.463 1.00 1.39 N ATOM 0 H LYS A 462 -12.871 -9.170 -9.114 1.00 0.72 H new ATOM 0 HA LYS A 462 -12.391 -6.390 -8.373 1.00 0.68 H new ATOM 0 HB2 LYS A 462 -11.168 -9.162 -8.032 1.00 0.66 H new ATOM 0 HB3 LYS A 462 -10.229 -7.768 -7.538 1.00 0.66 H new ATOM 0 HG2 LYS A 462 -13.116 -8.136 -6.624 1.00 0.99 H new ATOM 0 HG3 LYS A 462 -11.785 -8.866 -5.748 1.00 0.99 H new ATOM 0 HD2 LYS A 462 -10.701 -6.510 -5.701 1.00 0.91 H new ATOM 0 HD3 LYS A 462 -12.235 -5.892 -6.278 1.00 0.91 H new ATOM 0 HE2 LYS A 462 -13.280 -6.222 -4.225 1.00 1.31 H new ATOM 0 HE3 LYS A 462 -12.493 -7.765 -3.960 1.00 1.31 H new ATOM 0 HZ1 LYS A 462 -11.748 -5.480 -2.741 1.00 1.39 H new ATOM 0 HZ2 LYS A 462 -10.695 -6.787 -2.998 1.00 1.39 H new ATOM 0 HZ3 LYS A 462 -10.692 -5.470 -4.070 1.00 1.39 H new ATOM 1283 N LEU A 463 -10.709 -7.579 -10.867 1.00 0.65 N ATOM 1284 CA LEU A 463 -9.725 -7.179 -11.914 1.00 0.65 C ATOM 1285 C LEU A 463 -10.213 -5.930 -12.652 1.00 0.68 C ATOM 1286 O LEU A 463 -9.451 -5.026 -12.932 1.00 0.70 O ATOM 1287 CB LEU A 463 -9.658 -8.374 -12.867 1.00 0.68 C ATOM 1288 CG LEU A 463 -8.362 -8.309 -13.675 1.00 0.81 C ATOM 1289 CD1 LEU A 463 -7.860 -9.728 -13.951 1.00 0.99 C ATOM 1290 CD2 LEU A 463 -8.625 -7.596 -15.003 1.00 0.99 C ATOM 0 H LEU A 463 -11.190 -8.462 -11.039 1.00 0.65 H new ATOM 0 HA LEU A 463 -8.749 -6.936 -11.493 1.00 0.65 H new ATOM 0 HB2 LEU A 463 -9.701 -9.306 -12.303 1.00 0.68 H new ATOM 0 HB3 LEU A 463 -10.518 -8.367 -13.537 1.00 0.68 H new ATOM 0 HG LEU A 463 -7.609 -7.760 -13.109 1.00 0.81 H new ATOM 0 HD11 LEU A 463 -6.936 -9.681 -14.527 1.00 0.99 H new ATOM 0 HD12 LEU A 463 -7.673 -10.238 -13.006 1.00 0.99 H new ATOM 0 HD13 LEU A 463 -8.613 -10.277 -14.517 1.00 0.99 H new ATOM 0 HD21 LEU A 463 -7.701 -7.549 -15.580 1.00 0.99 H new ATOM 0 HD22 LEU A 463 -9.378 -8.145 -15.568 1.00 0.99 H new ATOM 0 HD23 LEU A 463 -8.983 -6.585 -14.809 1.00 0.99 H new ATOM 1302 N LYS A 464 -11.477 -5.873 -12.972 1.00 0.72 N ATOM 1303 CA LYS A 464 -12.011 -4.682 -13.694 1.00 0.77 C ATOM 1304 C LYS A 464 -12.493 -3.624 -12.697 1.00 0.76 C ATOM 1305 O LYS A 464 -12.620 -2.461 -13.025 1.00 0.82 O ATOM 1306 CB LYS A 464 -13.183 -5.215 -14.520 1.00 0.85 C ATOM 1307 CG LYS A 464 -12.667 -6.209 -15.560 1.00 1.20 C ATOM 1308 CD LYS A 464 -13.246 -5.860 -16.933 1.00 1.62 C ATOM 1309 CE LYS A 464 -14.450 -6.758 -17.225 1.00 2.25 C ATOM 1310 NZ LYS A 464 -15.641 -5.902 -16.969 1.00 2.66 N ATOM 0 H LYS A 464 -12.163 -6.599 -12.765 1.00 0.72 H new ATOM 0 HA LYS A 464 -11.254 -4.205 -14.317 1.00 0.77 H new ATOM 0 HB2 LYS A 464 -13.910 -5.700 -13.868 1.00 0.85 H new ATOM 0 HB3 LYS A 464 -13.698 -4.391 -15.014 1.00 0.85 H new ATOM 0 HG2 LYS A 464 -11.578 -6.182 -15.595 1.00 1.20 H new ATOM 0 HG3 LYS A 464 -12.951 -7.224 -15.281 1.00 1.20 H new ATOM 0 HD2 LYS A 464 -13.546 -4.812 -16.957 1.00 1.62 H new ATOM 0 HD3 LYS A 464 -12.486 -5.991 -17.703 1.00 1.62 H new ATOM 0 HE2 LYS A 464 -14.435 -7.116 -18.255 1.00 2.25 H new ATOM 0 HE3 LYS A 464 -14.451 -7.638 -16.582 1.00 2.25 H new ATOM 0 HZ1 LYS A 464 -16.507 -6.449 -17.148 1.00 2.66 H new ATOM 0 HZ2 LYS A 464 -15.632 -5.582 -15.979 1.00 2.66 H new ATOM 0 HZ3 LYS A 464 -15.617 -5.076 -17.600 1.00 2.66 H new ATOM 1324 N GLU A 465 -12.765 -4.019 -11.483 1.00 0.73 N ATOM 1325 CA GLU A 465 -13.241 -3.035 -10.468 1.00 0.76 C ATOM 1326 C GLU A 465 -12.187 -1.950 -10.235 1.00 0.69 C ATOM 1327 O GLU A 465 -12.506 -0.793 -10.045 1.00 0.85 O ATOM 1328 CB GLU A 465 -13.455 -3.854 -9.194 1.00 0.79 C ATOM 1329 CG GLU A 465 -14.954 -3.996 -8.922 1.00 1.12 C ATOM 1330 CD GLU A 465 -15.217 -3.851 -7.421 1.00 1.42 C ATOM 1331 OE1 GLU A 465 -14.684 -2.923 -6.834 1.00 1.95 O ATOM 1332 OE2 GLU A 465 -15.944 -4.670 -6.886 1.00 2.03 O ATOM 0 H GLU A 465 -12.678 -4.979 -11.150 1.00 0.73 H new ATOM 0 HA GLU A 465 -14.150 -2.526 -10.787 1.00 0.76 H new ATOM 0 HB2 GLU A 465 -13.000 -4.838 -9.301 1.00 0.79 H new ATOM 0 HB3 GLU A 465 -12.966 -3.367 -8.350 1.00 0.79 H new ATOM 0 HG2 GLU A 465 -15.508 -3.237 -9.474 1.00 1.12 H new ATOM 0 HG3 GLU A 465 -15.308 -4.966 -9.272 1.00 1.12 H new ATOM 1339 N LEU A 466 -10.933 -2.313 -10.243 1.00 0.56 N ATOM 1340 CA LEU A 466 -9.862 -1.299 -10.015 1.00 0.59 C ATOM 1341 C LEU A 466 -9.811 -0.300 -11.175 1.00 0.70 C ATOM 1342 O LEU A 466 -9.323 0.803 -11.034 1.00 0.81 O ATOM 1343 CB LEU A 466 -8.564 -2.103 -9.943 1.00 0.56 C ATOM 1344 CG LEU A 466 -8.464 -2.790 -8.581 1.00 0.54 C ATOM 1345 CD1 LEU A 466 -7.274 -3.750 -8.577 1.00 0.62 C ATOM 1346 CD2 LEU A 466 -8.267 -1.735 -7.491 1.00 0.52 C ATOM 0 H LEU A 466 -10.603 -3.266 -10.397 1.00 0.56 H new ATOM 0 HA LEU A 466 -10.035 -0.718 -9.109 1.00 0.59 H new ATOM 0 HB2 LEU A 466 -8.540 -2.846 -10.740 1.00 0.56 H new ATOM 0 HB3 LEU A 466 -7.708 -1.446 -10.094 1.00 0.56 H new ATOM 0 HG LEU A 466 -9.381 -3.347 -8.389 1.00 0.54 H new ATOM 0 HD11 LEU A 466 -7.204 -4.239 -7.605 1.00 0.62 H new ATOM 0 HD12 LEU A 466 -7.411 -4.503 -9.353 1.00 0.62 H new ATOM 0 HD13 LEU A 466 -6.357 -3.193 -8.770 1.00 0.62 H new ATOM 0 HD21 LEU A 466 -8.196 -2.224 -6.520 1.00 0.52 H new ATOM 0 HD22 LEU A 466 -7.350 -1.178 -7.685 1.00 0.52 H new ATOM 0 HD23 LEU A 466 -9.115 -1.050 -7.491 1.00 0.52 H new ATOM 1358 N GLY A 467 -10.311 -0.677 -12.320 1.00 0.77 N ATOM 1359 CA GLY A 467 -10.287 0.255 -13.483 1.00 0.97 C ATOM 1360 C GLY A 467 -11.689 0.818 -13.718 1.00 1.08 C ATOM 1361 O GLY A 467 -11.851 1.930 -14.180 1.00 1.38 O ATOM 0 H GLY A 467 -10.734 -1.587 -12.500 1.00 0.77 H new ATOM 0 HA2 GLY A 467 -9.584 1.067 -13.297 1.00 0.97 H new ATOM 0 HA3 GLY A 467 -9.940 -0.268 -14.374 1.00 0.97 H new ATOM 1723 N TRP B 402 6.262 -1.457 4.297 1.00 0.95 N ATOM 1724 CA TRP B 402 4.918 -2.086 4.119 1.00 0.86 C ATOM 1725 C TRP B 402 4.951 -3.208 3.077 1.00 0.79 C ATOM 1726 O TRP B 402 4.808 -4.366 3.405 1.00 0.71 O ATOM 1727 CB TRP B 402 4.018 -0.951 3.639 1.00 0.96 C ATOM 1728 CG TRP B 402 2.735 -1.002 4.391 1.00 0.84 C ATOM 1729 CD1 TRP B 402 2.524 -0.418 5.590 1.00 0.94 C ATOM 1730 CD2 TRP B 402 1.493 -1.667 4.028 1.00 0.76 C ATOM 1731 NE1 TRP B 402 1.223 -0.677 5.994 1.00 1.00 N ATOM 1732 CE2 TRP B 402 0.544 -1.444 5.066 1.00 0.83 C ATOM 1733 CE3 TRP B 402 1.096 -2.440 2.906 1.00 0.78 C ATOM 1734 CZ2 TRP B 402 -0.760 -1.969 4.994 1.00 0.83 C ATOM 1735 CZ3 TRP B 402 -0.215 -2.970 2.829 1.00 0.72 C ATOM 1736 CH2 TRP B 402 -1.141 -2.735 3.872 1.00 0.69 C ATOM 0 HA TRP B 402 4.568 -2.543 5.045 1.00 0.86 H new ATOM 0 HB2 TRP B 402 4.508 0.010 3.795 1.00 0.96 H new ATOM 0 HB3 TRP B 402 3.832 -1.044 2.569 1.00 0.96 H new ATOM 0 HD1 TRP B 402 3.251 0.157 6.144 1.00 0.94 H new ATOM 0 HE1 TRP B 402 0.817 -0.343 6.868 1.00 1.00 H new ATOM 0 HE3 TRP B 402 1.798 -2.625 2.106 1.00 0.78 H new ATOM 0 HZ2 TRP B 402 -1.464 -1.787 5.792 1.00 0.83 H new ATOM 0 HZ3 TRP B 402 -0.509 -3.556 1.971 1.00 0.72 H new ATOM 0 HH2 TRP B 402 -2.140 -3.142 3.810 1.00 0.69 H new ATOM 1747 N ALA B 403 5.127 -2.880 1.825 1.00 0.85 N ATOM 1748 CA ALA B 403 5.158 -3.941 0.771 1.00 0.85 C ATOM 1749 C ALA B 403 6.103 -5.073 1.182 1.00 0.80 C ATOM 1750 O ALA B 403 5.764 -6.236 1.097 1.00 0.76 O ATOM 1751 CB ALA B 403 5.670 -3.240 -0.487 1.00 0.99 C ATOM 0 H ALA B 403 5.251 -1.926 1.485 1.00 0.85 H new ATOM 0 HA ALA B 403 4.178 -4.392 0.613 1.00 0.85 H new ATOM 0 HB1 ALA B 403 5.721 -3.956 -1.307 1.00 0.99 H new ATOM 0 HB2 ALA B 403 4.991 -2.430 -0.754 1.00 0.99 H new ATOM 0 HB3 ALA B 403 6.664 -2.834 -0.298 1.00 0.99 H new ATOM 1757 N THR B 404 7.281 -4.748 1.640 1.00 0.82 N ATOM 1758 CA THR B 404 8.224 -5.819 2.067 1.00 0.81 C ATOM 1759 C THR B 404 7.579 -6.644 3.182 1.00 0.70 C ATOM 1760 O THR B 404 7.770 -7.840 3.278 1.00 0.69 O ATOM 1761 CB THR B 404 9.462 -5.083 2.584 1.00 0.89 C ATOM 1762 OG1 THR B 404 9.704 -3.942 1.774 1.00 1.07 O ATOM 1763 CG2 THR B 404 10.672 -6.017 2.529 1.00 0.89 C ATOM 0 H THR B 404 7.629 -3.794 1.736 1.00 0.82 H new ATOM 0 HA THR B 404 8.479 -6.504 1.258 1.00 0.81 H new ATOM 0 HB THR B 404 9.296 -4.769 3.614 1.00 0.89 H new ATOM 0 HG1 THR B 404 10.496 -3.468 2.105 1.00 1.07 H new ATOM 0 HG21 THR B 404 11.554 -5.492 2.897 1.00 0.89 H new ATOM 0 HG22 THR B 404 10.484 -6.892 3.151 1.00 0.89 H new ATOM 0 HG23 THR B 404 10.841 -6.333 1.500 1.00 0.89 H new ATOM 1771 N LEU B 405 6.803 -6.008 4.017 1.00 0.67 N ATOM 1772 CA LEU B 405 6.126 -6.744 5.120 1.00 0.61 C ATOM 1773 C LEU B 405 4.936 -7.525 4.560 1.00 0.53 C ATOM 1774 O LEU B 405 4.536 -8.538 5.097 1.00 0.52 O ATOM 1775 CB LEU B 405 5.661 -5.649 6.093 1.00 0.67 C ATOM 1776 CG LEU B 405 5.037 -6.260 7.361 1.00 0.64 C ATOM 1777 CD1 LEU B 405 3.640 -6.798 7.044 1.00 0.57 C ATOM 1778 CD2 LEU B 405 5.916 -7.400 7.895 1.00 0.64 C ATOM 0 H LEU B 405 6.609 -5.007 3.982 1.00 0.67 H new ATOM 0 HA LEU B 405 6.776 -7.467 5.612 1.00 0.61 H new ATOM 0 HB2 LEU B 405 6.507 -5.020 6.368 1.00 0.67 H new ATOM 0 HB3 LEU B 405 4.932 -5.006 5.600 1.00 0.67 H new ATOM 0 HG LEU B 405 4.965 -5.483 8.122 1.00 0.64 H new ATOM 0 HD11 LEU B 405 3.203 -7.229 7.945 1.00 0.57 H new ATOM 0 HD12 LEU B 405 3.009 -5.984 6.688 1.00 0.57 H new ATOM 0 HD13 LEU B 405 3.712 -7.565 6.273 1.00 0.57 H new ATOM 0 HD21 LEU B 405 5.461 -7.821 8.791 1.00 0.64 H new ATOM 0 HD22 LEU B 405 6.006 -8.176 7.135 1.00 0.64 H new ATOM 0 HD23 LEU B 405 6.906 -7.013 8.138 1.00 0.64 H new ATOM 1790 N LEU B 406 4.367 -7.058 3.482 1.00 0.53 N ATOM 1791 CA LEU B 406 3.202 -7.766 2.881 1.00 0.50 C ATOM 1792 C LEU B 406 3.683 -8.952 2.043 1.00 0.49 C ATOM 1793 O LEU B 406 3.040 -9.980 1.979 1.00 0.45 O ATOM 1794 CB LEU B 406 2.514 -6.720 1.999 1.00 0.57 C ATOM 1795 CG LEU B 406 1.013 -7.019 1.927 1.00 0.59 C ATOM 1796 CD1 LEU B 406 0.410 -6.967 3.332 1.00 0.94 C ATOM 1797 CD2 LEU B 406 0.324 -5.977 1.046 1.00 1.02 C ATOM 0 H LEU B 406 4.660 -6.214 2.990 1.00 0.53 H new ATOM 0 HA LEU B 406 2.525 -8.167 3.635 1.00 0.50 H new ATOM 0 HB2 LEU B 406 2.678 -5.722 2.405 1.00 0.57 H new ATOM 0 HB3 LEU B 406 2.946 -6.732 0.998 1.00 0.57 H new ATOM 0 HG LEU B 406 0.866 -8.012 1.503 1.00 0.59 H new ATOM 0 HD11 LEU B 406 -0.658 -7.180 3.278 1.00 0.94 H new ATOM 0 HD12 LEU B 406 0.897 -7.710 3.964 1.00 0.94 H new ATOM 0 HD13 LEU B 406 0.561 -5.974 3.756 1.00 0.94 H new ATOM 0 HD21 LEU B 406 -0.744 -6.191 0.996 1.00 1.02 H new ATOM 0 HD22 LEU B 406 0.475 -4.984 1.470 1.00 1.02 H new ATOM 0 HD23 LEU B 406 0.748 -6.011 0.043 1.00 1.02 H new ATOM 1809 N ALA B 407 4.812 -8.820 1.403 1.00 0.56 N ATOM 1810 CA ALA B 407 5.332 -9.943 0.575 1.00 0.59 C ATOM 1811 C ALA B 407 5.839 -11.069 1.482 1.00 0.57 C ATOM 1812 O ALA B 407 5.654 -12.236 1.200 1.00 0.61 O ATOM 1813 CB ALA B 407 6.482 -9.339 -0.232 1.00 0.70 C ATOM 0 H ALA B 407 5.396 -7.984 1.418 1.00 0.56 H new ATOM 0 HA ALA B 407 4.568 -10.375 -0.071 1.00 0.59 H new ATOM 0 HB1 ALA B 407 6.921 -10.106 -0.870 1.00 0.70 H new ATOM 0 HB2 ALA B 407 6.104 -8.525 -0.850 1.00 0.70 H new ATOM 0 HB3 ALA B 407 7.242 -8.955 0.449 1.00 0.70 H new ATOM 1819 N GLN B 408 6.473 -10.727 2.571 1.00 0.57 N ATOM 1820 CA GLN B 408 6.985 -11.778 3.496 1.00 0.57 C ATOM 1821 C GLN B 408 5.851 -12.288 4.387 1.00 0.50 C ATOM 1822 O GLN B 408 5.819 -13.441 4.768 1.00 0.50 O ATOM 1823 CB GLN B 408 8.058 -11.084 4.333 1.00 0.62 C ATOM 1824 CG GLN B 408 9.384 -11.088 3.570 1.00 0.75 C ATOM 1825 CD GLN B 408 10.519 -11.478 4.517 1.00 0.78 C ATOM 1826 OE1 GLN B 408 10.613 -12.616 4.937 1.00 1.29 O ATOM 1827 NE2 GLN B 408 11.393 -10.578 4.875 1.00 1.46 N ATOM 0 H GLN B 408 6.658 -9.766 2.860 1.00 0.57 H new ATOM 0 HA GLN B 408 7.385 -12.641 2.963 1.00 0.57 H new ATOM 0 HB2 GLN B 408 7.756 -10.060 4.553 1.00 0.62 H new ATOM 0 HB3 GLN B 408 8.175 -11.594 5.289 1.00 0.62 H new ATOM 0 HG2 GLN B 408 9.334 -11.790 2.737 1.00 0.75 H new ATOM 0 HG3 GLN B 408 9.574 -10.102 3.145 1.00 0.75 H new ATOM 0 HE21 GLN B 408 11.315 -9.624 4.524 1.00 1.46 H new ATOM 0 HE22 GLN B 408 12.154 -10.829 5.506 1.00 1.46 H new ATOM 1836 N TRP B 409 4.918 -11.438 4.718 1.00 0.46 N ATOM 1837 CA TRP B 409 3.781 -11.874 5.580 1.00 0.43 C ATOM 1838 C TRP B 409 2.886 -12.845 4.800 1.00 0.40 C ATOM 1839 O TRP B 409 2.660 -13.966 5.213 1.00 0.41 O ATOM 1840 CB TRP B 409 3.034 -10.576 5.920 1.00 0.43 C ATOM 1841 CG TRP B 409 1.696 -10.882 6.520 1.00 0.42 C ATOM 1842 CD1 TRP B 409 1.494 -11.453 7.731 1.00 0.50 C ATOM 1843 CD2 TRP B 409 0.376 -10.639 5.954 1.00 0.40 C ATOM 1844 NE1 TRP B 409 0.131 -11.580 7.948 1.00 0.53 N ATOM 1845 CE2 TRP B 409 -0.603 -11.093 6.884 1.00 0.47 C ATOM 1846 CE3 TRP B 409 -0.068 -10.073 4.731 1.00 0.39 C ATOM 1847 CZ2 TRP B 409 -1.980 -10.988 6.611 1.00 0.50 C ATOM 1848 CZ3 TRP B 409 -1.452 -9.965 4.451 1.00 0.43 C ATOM 1849 CH2 TRP B 409 -2.406 -10.423 5.390 1.00 0.48 C ATOM 0 H TRP B 409 4.893 -10.460 4.429 1.00 0.46 H new ATOM 0 HA TRP B 409 4.101 -12.399 6.480 1.00 0.43 H new ATOM 0 HB2 TRP B 409 3.624 -9.982 6.617 1.00 0.43 H new ATOM 0 HB3 TRP B 409 2.906 -9.976 5.019 1.00 0.43 H new ATOM 0 HD1 TRP B 409 2.270 -11.760 8.417 1.00 0.50 H new ATOM 0 HE1 TRP B 409 -0.280 -11.984 8.790 1.00 0.53 H new ATOM 0 HE3 TRP B 409 0.654 -9.722 4.009 1.00 0.39 H new ATOM 0 HZ2 TRP B 409 -2.705 -11.337 7.331 1.00 0.50 H new ATOM 0 HZ3 TRP B 409 -1.780 -9.532 3.518 1.00 0.43 H new ATOM 0 HH2 TRP B 409 -3.461 -10.340 5.172 1.00 0.48 H new ATOM 1860 N ALA B 410 2.377 -12.423 3.674 1.00 0.42 N ATOM 1861 CA ALA B 410 1.500 -13.323 2.871 1.00 0.44 C ATOM 1862 C ALA B 410 2.224 -14.641 2.583 1.00 0.45 C ATOM 1863 O ALA B 410 1.607 -15.674 2.412 1.00 0.47 O ATOM 1864 CB ALA B 410 1.232 -12.560 1.572 1.00 0.51 C ATOM 0 H ALA B 410 2.530 -11.496 3.276 1.00 0.42 H new ATOM 0 HA ALA B 410 0.576 -13.575 3.391 1.00 0.44 H new ATOM 0 HB1 ALA B 410 0.591 -13.158 0.924 1.00 0.51 H new ATOM 0 HB2 ALA B 410 0.738 -11.616 1.800 1.00 0.51 H new ATOM 0 HB3 ALA B 410 2.176 -12.362 1.065 1.00 0.51 H new ATOM 1870 N ASP B 411 3.527 -14.614 2.535 1.00 0.48 N ATOM 1871 CA ASP B 411 4.288 -15.867 2.265 1.00 0.53 C ATOM 1872 C ASP B 411 4.444 -16.672 3.557 1.00 0.53 C ATOM 1873 O ASP B 411 4.201 -17.862 3.593 1.00 0.58 O ATOM 1874 CB ASP B 411 5.651 -15.399 1.754 1.00 0.60 C ATOM 1875 CG ASP B 411 6.480 -16.611 1.324 1.00 1.03 C ATOM 1876 OD1 ASP B 411 6.992 -17.293 2.196 1.00 1.51 O ATOM 1877 OD2 ASP B 411 6.589 -16.836 0.130 1.00 1.78 O ATOM 0 H ASP B 411 4.098 -13.780 2.671 1.00 0.48 H new ATOM 0 HA ASP B 411 3.785 -16.513 1.545 1.00 0.53 H new ATOM 0 HB2 ASP B 411 5.521 -14.717 0.913 1.00 0.60 H new ATOM 0 HB3 ASP B 411 6.174 -14.846 2.535 1.00 0.60 H new ATOM 1882 N ARG B 412 4.842 -16.029 4.621 1.00 0.52 N ATOM 1883 CA ARG B 412 5.009 -16.751 5.914 1.00 0.56 C ATOM 1884 C ARG B 412 3.680 -17.380 6.335 1.00 0.55 C ATOM 1885 O ARG B 412 3.641 -18.439 6.928 1.00 0.63 O ATOM 1886 CB ARG B 412 5.435 -15.675 6.915 1.00 0.58 C ATOM 1887 CG ARG B 412 6.264 -16.313 8.031 1.00 0.96 C ATOM 1888 CD ARG B 412 5.449 -16.329 9.327 1.00 1.50 C ATOM 1889 NE ARG B 412 6.015 -15.227 10.151 1.00 1.90 N ATOM 1890 CZ ARG B 412 5.476 -14.038 10.110 1.00 2.41 C ATOM 1891 NH1 ARG B 412 4.217 -13.882 10.418 1.00 2.89 N ATOM 1892 NH2 ARG B 412 6.196 -13.007 9.763 1.00 3.02 N ATOM 0 H ARG B 412 5.059 -15.033 4.650 1.00 0.52 H new ATOM 0 HA ARG B 412 5.739 -17.558 5.850 1.00 0.56 H new ATOM 0 HB2 ARG B 412 6.018 -14.904 6.410 1.00 0.58 H new ATOM 0 HB3 ARG B 412 4.556 -15.186 7.335 1.00 0.58 H new ATOM 0 HG2 ARG B 412 6.546 -17.329 7.754 1.00 0.96 H new ATOM 0 HG3 ARG B 412 7.188 -15.754 8.177 1.00 0.96 H new ATOM 0 HD2 ARG B 412 4.389 -16.169 9.129 1.00 1.50 H new ATOM 0 HD3 ARG B 412 5.537 -17.288 9.837 1.00 1.50 H new ATOM 0 HE ARG B 412 6.824 -15.400 10.748 1.00 1.90 H new ATOM 0 HH11 ARG B 412 3.655 -14.688 10.690 1.00 2.89 H new ATOM 0 HH12 ARG B 412 3.795 -12.954 10.386 1.00 2.89 H new ATOM 0 HH21 ARG B 412 7.180 -13.129 9.524 1.00 3.02 H new ATOM 0 HH22 ARG B 412 5.775 -12.078 9.731 1.00 3.02 H new ATOM 1906 N ALA B 413 2.592 -16.734 6.027 1.00 0.50 N ATOM 1907 CA ALA B 413 1.261 -17.287 6.402 1.00 0.53 C ATOM 1908 C ALA B 413 0.865 -18.406 5.434 1.00 0.57 C ATOM 1909 O ALA B 413 0.343 -19.429 5.829 1.00 0.66 O ATOM 1910 CB ALA B 413 0.295 -16.109 6.281 1.00 0.53 C ATOM 0 H ALA B 413 2.566 -15.844 5.530 1.00 0.50 H new ATOM 0 HA ALA B 413 1.258 -17.715 7.404 1.00 0.53 H new ATOM 0 HB1 ALA B 413 -0.712 -16.436 6.542 1.00 0.53 H new ATOM 0 HB2 ALA B 413 0.605 -15.313 6.958 1.00 0.53 H new ATOM 0 HB3 ALA B 413 0.302 -15.737 5.257 1.00 0.53 H new ATOM 1916 N LEU B 414 1.109 -18.214 4.166 1.00 0.54 N ATOM 1917 CA LEU B 414 0.746 -19.262 3.167 1.00 0.62 C ATOM 1918 C LEU B 414 1.345 -20.611 3.569 1.00 0.71 C ATOM 1919 O LEU B 414 0.712 -21.642 3.451 1.00 0.82 O ATOM 1920 CB LEU B 414 1.353 -18.780 1.849 1.00 0.63 C ATOM 1921 CG LEU B 414 0.248 -18.633 0.803 1.00 0.71 C ATOM 1922 CD1 LEU B 414 -0.653 -17.453 1.175 1.00 1.11 C ATOM 1923 CD2 LEU B 414 0.876 -18.380 -0.569 1.00 1.03 C ATOM 0 H LEU B 414 1.544 -17.377 3.778 1.00 0.54 H new ATOM 0 HA LEU B 414 -0.332 -19.404 3.094 1.00 0.62 H new ATOM 0 HB2 LEU B 414 1.858 -17.825 1.996 1.00 0.63 H new ATOM 0 HB3 LEU B 414 2.105 -19.489 1.502 1.00 0.63 H new ATOM 0 HG LEU B 414 -0.345 -19.547 0.770 1.00 0.71 H new ATOM 0 HD11 LEU B 414 -1.441 -17.348 0.429 1.00 1.11 H new ATOM 0 HD12 LEU B 414 -1.100 -17.631 2.153 1.00 1.11 H new ATOM 0 HD13 LEU B 414 -0.060 -16.539 1.208 1.00 1.11 H new ATOM 0 HD21 LEU B 414 0.089 -18.275 -1.316 1.00 1.03 H new ATOM 0 HD22 LEU B 414 1.468 -17.466 -0.535 1.00 1.03 H new ATOM 0 HD23 LEU B 414 1.519 -19.219 -0.835 1.00 1.03 H new ATOM 1935 N ARG B 415 2.562 -20.615 4.042 1.00 0.73 N ATOM 1936 CA ARG B 415 3.200 -21.898 4.448 1.00 0.87 C ATOM 1937 C ARG B 415 2.803 -22.269 5.884 1.00 0.93 C ATOM 1938 O ARG B 415 3.357 -23.177 6.471 1.00 1.26 O ATOM 1939 CB ARG B 415 4.704 -21.635 4.360 1.00 1.02 C ATOM 1940 CG ARG B 415 5.337 -22.611 3.366 1.00 1.40 C ATOM 1941 CD ARG B 415 6.795 -22.217 3.119 1.00 1.61 C ATOM 1942 NE ARG B 415 6.757 -21.329 1.924 1.00 2.27 N ATOM 1943 CZ ARG B 415 7.258 -21.737 0.790 1.00 2.92 C ATOM 1944 NH1 ARG B 415 6.925 -22.904 0.311 1.00 3.32 N ATOM 1945 NH2 ARG B 415 8.093 -20.977 0.134 1.00 3.70 N ATOM 0 H ARG B 415 3.141 -19.784 4.164 1.00 0.73 H new ATOM 0 HA ARG B 415 2.889 -22.728 3.814 1.00 0.87 H new ATOM 0 HB2 ARG B 415 4.886 -20.608 4.043 1.00 1.02 H new ATOM 0 HB3 ARG B 415 5.162 -21.752 5.342 1.00 1.02 H new ATOM 0 HG2 ARG B 415 5.285 -23.628 3.756 1.00 1.40 H new ATOM 0 HG3 ARG B 415 4.783 -22.601 2.427 1.00 1.40 H new ATOM 0 HD2 ARG B 415 7.216 -21.700 3.982 1.00 1.61 H new ATOM 0 HD3 ARG B 415 7.416 -23.095 2.939 1.00 1.61 H new ATOM 0 HE ARG B 415 6.339 -20.401 1.992 1.00 2.27 H new ATOM 0 HH11 ARG B 415 6.273 -23.498 0.823 1.00 3.32 H new ATOM 0 HH12 ARG B 415 7.317 -23.222 -0.575 1.00 3.32 H new ATOM 0 HH21 ARG B 415 8.354 -20.064 0.508 1.00 3.70 H new ATOM 0 HH22 ARG B 415 8.485 -21.296 -0.752 1.00 3.70 H new ATOM 1959 N SER B 416 1.851 -21.578 6.457 1.00 0.90 N ATOM 1960 CA SER B 416 1.433 -21.903 7.851 1.00 0.99 C ATOM 1961 C SER B 416 -0.028 -21.500 8.073 1.00 0.99 C ATOM 1962 O SER B 416 -0.330 -20.662 8.899 1.00 1.63 O ATOM 1963 CB SER B 416 2.358 -21.075 8.741 1.00 1.20 C ATOM 1964 OG SER B 416 3.670 -21.619 8.692 1.00 1.70 O ATOM 0 H SER B 416 1.347 -20.806 6.021 1.00 0.90 H new ATOM 0 HA SER B 416 1.504 -22.969 8.067 1.00 0.99 H new ATOM 0 HB2 SER B 416 2.370 -20.038 8.407 1.00 1.20 H new ATOM 0 HB3 SER B 416 1.990 -21.075 9.767 1.00 1.20 H new ATOM 0 HG SER B 416 3.704 -22.332 8.020 1.00 1.70 H new ATOM 1970 N GLY B 417 -0.937 -22.090 7.344 1.00 1.06 N ATOM 1971 CA GLY B 417 -2.376 -21.737 7.516 1.00 1.06 C ATOM 1972 C GLY B 417 -2.556 -20.224 7.377 1.00 0.99 C ATOM 1973 O GLY B 417 -2.567 -19.498 8.352 1.00 1.31 O ATOM 0 H GLY B 417 -0.746 -22.800 6.638 1.00 1.06 H new ATOM 0 HA2 GLY B 417 -2.979 -22.255 6.770 1.00 1.06 H new ATOM 0 HA3 GLY B 417 -2.727 -22.066 8.494 1.00 1.06 H new ATOM 1977 N HIS B 418 -2.691 -19.742 6.172 1.00 0.78 N ATOM 1978 CA HIS B 418 -2.866 -18.276 5.966 1.00 0.88 C ATOM 1979 C HIS B 418 -4.336 -17.879 6.126 1.00 0.89 C ATOM 1980 O HIS B 418 -5.212 -18.428 5.488 1.00 1.17 O ATOM 1981 CB HIS B 418 -2.396 -18.017 4.531 1.00 1.01 C ATOM 1982 CG HIS B 418 -3.200 -18.854 3.571 1.00 1.69 C ATOM 1983 ND1 HIS B 418 -2.775 -20.102 3.144 1.00 2.18 N ATOM 1984 CD2 HIS B 418 -4.402 -18.633 2.947 1.00 2.31 C ATOM 1985 CE1 HIS B 418 -3.708 -20.582 2.302 1.00 2.86 C ATOM 1986 NE2 HIS B 418 -4.722 -19.727 2.146 1.00 2.97 N ATOM 0 H HIS B 418 -2.688 -20.301 5.319 1.00 0.78 H new ATOM 0 HA HIS B 418 -2.303 -17.693 6.695 1.00 0.88 H new ATOM 0 HB2 HIS B 418 -2.507 -16.960 4.287 1.00 1.01 H new ATOM 0 HB3 HIS B 418 -1.337 -18.256 4.437 1.00 1.01 H new ATOM 0 HD2 HIS B 418 -5.008 -17.746 3.060 1.00 2.31 H new ATOM 0 HE1 HIS B 418 -3.645 -21.542 1.812 1.00 2.86 H new ATOM 0 HE2 HIS B 418 -5.552 -19.849 1.566 1.00 2.97 H new ATOM 1994 N GLN B 419 -4.610 -16.923 6.970 1.00 1.08 N ATOM 1995 CA GLN B 419 -6.016 -16.481 7.172 1.00 1.24 C ATOM 1996 C GLN B 419 -6.380 -15.415 6.133 1.00 1.03 C ATOM 1997 O GLN B 419 -5.787 -15.341 5.075 1.00 1.28 O ATOM 1998 CB GLN B 419 -6.039 -15.895 8.583 1.00 1.71 C ATOM 1999 CG GLN B 419 -5.062 -14.718 8.669 1.00 2.32 C ATOM 2000 CD GLN B 419 -5.443 -13.823 9.849 1.00 2.91 C ATOM 2001 OE1 GLN B 419 -6.058 -12.694 9.622 1.00 3.29 O flip ATOM 2002 NE2 GLN B 419 -5.181 -14.154 10.988 1.00 3.52 N flip ATOM 0 H GLN B 419 -3.917 -16.428 7.530 1.00 1.08 H new ATOM 0 HA GLN B 419 -6.735 -17.293 7.058 1.00 1.24 H new ATOM 0 HB2 GLN B 419 -7.047 -15.563 8.833 1.00 1.71 H new ATOM 0 HB3 GLN B 419 -5.766 -16.660 9.310 1.00 1.71 H new ATOM 0 HG2 GLN B 419 -4.043 -15.086 8.792 1.00 2.32 H new ATOM 0 HG3 GLN B 419 -5.084 -14.145 7.742 1.00 2.32 H new ATOM 0 HE21 GLN B 419 -4.701 -15.036 11.165 1.00 3.52 H new ATOM 0 HE22 GLN B 419 -5.442 -13.550 11.767 1.00 3.52 H new ATOM 2011 N ASN B 420 -7.343 -14.584 6.425 1.00 0.78 N ATOM 2012 CA ASN B 420 -7.730 -13.525 5.450 1.00 0.70 C ATOM 2013 C ASN B 420 -6.506 -12.685 5.077 1.00 0.58 C ATOM 2014 O ASN B 420 -6.010 -11.909 5.869 1.00 0.70 O ATOM 2015 CB ASN B 420 -8.765 -12.672 6.184 1.00 0.86 C ATOM 2016 CG ASN B 420 -10.166 -13.017 5.677 1.00 1.35 C ATOM 2017 OD1 ASN B 420 -10.442 -12.908 4.498 1.00 1.96 O ATOM 2018 ND2 ASN B 420 -11.068 -13.434 6.522 1.00 1.87 N ATOM 0 H ASN B 420 -7.877 -14.592 7.294 1.00 0.78 H new ATOM 0 HA ASN B 420 -8.128 -13.938 4.523 1.00 0.70 H new ATOM 0 HB2 ASN B 420 -8.702 -12.849 7.258 1.00 0.86 H new ATOM 0 HB3 ASN B 420 -8.559 -11.614 6.023 1.00 0.86 H new ATOM 0 HD21 ASN B 420 -12.005 -13.669 6.194 1.00 1.87 H new ATOM 0 HD22 ASN B 420 -10.837 -13.526 7.511 1.00 1.87 H new ATOM 2025 N LEU B 421 -6.011 -12.838 3.879 1.00 0.45 N ATOM 2026 CA LEU B 421 -4.815 -12.050 3.462 1.00 0.40 C ATOM 2027 C LEU B 421 -5.240 -10.685 2.915 1.00 0.39 C ATOM 2028 O LEU B 421 -5.195 -9.687 3.607 1.00 0.53 O ATOM 2029 CB LEU B 421 -4.153 -12.884 2.364 1.00 0.42 C ATOM 2030 CG LEU B 421 -3.283 -13.968 3.001 1.00 0.39 C ATOM 2031 CD1 LEU B 421 -3.603 -15.319 2.362 1.00 0.50 C ATOM 2032 CD2 LEU B 421 -1.806 -13.637 2.771 1.00 0.41 C ATOM 0 H LEU B 421 -6.382 -13.473 3.172 1.00 0.45 H new ATOM 0 HA LEU B 421 -4.138 -11.860 4.295 1.00 0.40 H new ATOM 0 HB2 LEU B 421 -4.914 -13.339 1.730 1.00 0.42 H new ATOM 0 HB3 LEU B 421 -3.545 -12.245 1.724 1.00 0.42 H new ATOM 0 HG LEU B 421 -3.485 -14.013 4.071 1.00 0.39 H new ATOM 0 HD11 LEU B 421 -2.983 -16.092 2.816 1.00 0.50 H new ATOM 0 HD12 LEU B 421 -4.655 -15.557 2.522 1.00 0.50 H new ATOM 0 HD13 LEU B 421 -3.400 -15.273 1.292 1.00 0.50 H new ATOM 0 HD21 LEU B 421 -1.185 -14.409 3.225 1.00 0.41 H new ATOM 0 HD22 LEU B 421 -1.605 -13.593 1.701 1.00 0.41 H new ATOM 0 HD23 LEU B 421 -1.574 -12.673 3.224 1.00 0.41 H new ATOM 2044 N LEU B 422 -5.650 -10.631 1.677 1.00 0.33 N ATOM 2045 CA LEU B 422 -6.074 -9.328 1.087 1.00 0.34 C ATOM 2046 C LEU B 422 -7.116 -8.650 1.982 1.00 0.34 C ATOM 2047 O LEU B 422 -7.279 -7.445 1.956 1.00 0.37 O ATOM 2048 CB LEU B 422 -6.681 -9.688 -0.269 1.00 0.37 C ATOM 2049 CG LEU B 422 -5.648 -9.446 -1.371 1.00 0.38 C ATOM 2050 CD1 LEU B 422 -6.247 -9.821 -2.727 1.00 0.59 C ATOM 2051 CD2 LEU B 422 -5.253 -7.968 -1.383 1.00 0.63 C ATOM 0 H LEU B 422 -5.710 -11.432 1.048 1.00 0.33 H new ATOM 0 HA LEU B 422 -5.243 -8.630 0.990 1.00 0.34 H new ATOM 0 HB2 LEU B 422 -6.995 -10.732 -0.273 1.00 0.37 H new ATOM 0 HB3 LEU B 422 -7.571 -9.086 -0.452 1.00 0.37 H new ATOM 0 HG LEU B 422 -4.767 -10.059 -1.181 1.00 0.38 H new ATOM 0 HD11 LEU B 422 -5.510 -9.648 -3.511 1.00 0.59 H new ATOM 0 HD12 LEU B 422 -6.530 -10.874 -2.721 1.00 0.59 H new ATOM 0 HD13 LEU B 422 -7.129 -9.209 -2.917 1.00 0.59 H new ATOM 0 HD21 LEU B 422 -4.517 -7.794 -2.168 1.00 0.63 H new ATOM 0 HD22 LEU B 422 -6.136 -7.357 -1.572 1.00 0.63 H new ATOM 0 HD23 LEU B 422 -4.825 -7.698 -0.418 1.00 0.63 H new ATOM 2063 N SER B 423 -7.823 -9.411 2.771 1.00 0.35 N ATOM 2064 CA SER B 423 -8.854 -8.805 3.661 1.00 0.38 C ATOM 2065 C SER B 423 -8.190 -8.102 4.851 1.00 0.36 C ATOM 2066 O SER B 423 -8.794 -7.282 5.512 1.00 0.39 O ATOM 2067 CB SER B 423 -9.702 -9.982 4.141 1.00 0.44 C ATOM 2068 OG SER B 423 -10.950 -9.968 3.462 1.00 1.23 O ATOM 0 H SER B 423 -7.732 -10.425 2.838 1.00 0.35 H new ATOM 0 HA SER B 423 -9.450 -8.053 3.145 1.00 0.38 H new ATOM 0 HB2 SER B 423 -9.182 -10.921 3.951 1.00 0.44 H new ATOM 0 HB3 SER B 423 -9.860 -9.917 5.218 1.00 0.44 H new ATOM 0 HG SER B 423 -11.496 -10.723 3.766 1.00 1.23 H new ATOM 2074 N GLU B 424 -6.955 -8.418 5.131 1.00 0.34 N ATOM 2075 CA GLU B 424 -6.263 -7.766 6.280 1.00 0.36 C ATOM 2076 C GLU B 424 -5.642 -6.434 5.844 1.00 0.32 C ATOM 2077 O GLU B 424 -5.746 -5.437 6.530 1.00 0.33 O ATOM 2078 CB GLU B 424 -5.173 -8.753 6.696 1.00 0.38 C ATOM 2079 CG GLU B 424 -5.296 -9.050 8.192 1.00 0.57 C ATOM 2080 CD GLU B 424 -4.033 -9.763 8.677 1.00 0.81 C ATOM 2081 OE1 GLU B 424 -2.982 -9.144 8.661 1.00 1.54 O ATOM 2082 OE2 GLU B 424 -4.137 -10.919 9.056 1.00 1.22 O ATOM 0 H GLU B 424 -6.396 -9.098 4.615 1.00 0.34 H new ATOM 0 HA GLU B 424 -6.947 -7.542 7.098 1.00 0.36 H new ATOM 0 HB2 GLU B 424 -5.265 -9.675 6.123 1.00 0.38 H new ATOM 0 HB3 GLU B 424 -4.189 -8.338 6.477 1.00 0.38 H new ATOM 0 HG2 GLU B 424 -5.439 -8.123 8.747 1.00 0.57 H new ATOM 0 HG3 GLU B 424 -6.172 -9.671 8.379 1.00 0.57 H new ATOM 2089 N ALA B 425 -4.997 -6.411 4.710 1.00 0.31 N ATOM 2090 CA ALA B 425 -4.369 -5.143 4.235 1.00 0.29 C ATOM 2091 C ALA B 425 -5.395 -4.278 3.493 1.00 0.28 C ATOM 2092 O ALA B 425 -5.166 -3.112 3.239 1.00 0.28 O ATOM 2093 CB ALA B 425 -3.253 -5.584 3.289 1.00 0.29 C ATOM 0 H ALA B 425 -4.877 -7.213 4.092 1.00 0.31 H new ATOM 0 HA ALA B 425 -3.991 -4.539 5.060 1.00 0.29 H new ATOM 0 HB1 ALA B 425 -2.741 -4.706 2.896 1.00 0.29 H new ATOM 0 HB2 ALA B 425 -2.541 -6.207 3.831 1.00 0.29 H new ATOM 0 HB3 ALA B 425 -3.680 -6.155 2.464 1.00 0.29 H new ATOM 2099 N GLN B 426 -6.524 -4.835 3.145 1.00 0.30 N ATOM 2100 CA GLN B 426 -7.558 -4.040 2.423 1.00 0.31 C ATOM 2101 C GLN B 426 -7.973 -2.813 3.248 1.00 0.30 C ATOM 2102 O GLN B 426 -7.877 -1.696 2.777 1.00 0.30 O ATOM 2103 CB GLN B 426 -8.741 -4.993 2.242 1.00 0.36 C ATOM 2104 CG GLN B 426 -8.822 -5.430 0.777 1.00 0.45 C ATOM 2105 CD GLN B 426 -10.009 -6.379 0.589 1.00 0.53 C ATOM 2106 OE1 GLN B 426 -10.777 -6.598 1.503 1.00 1.23 O ATOM 2107 NE2 GLN B 426 -10.188 -6.956 -0.568 1.00 1.09 N ATOM 0 H GLN B 426 -6.775 -5.806 3.330 1.00 0.30 H new ATOM 0 HA GLN B 426 -7.189 -3.663 1.469 1.00 0.31 H new ATOM 0 HB2 GLN B 426 -8.623 -5.864 2.887 1.00 0.36 H new ATOM 0 HB3 GLN B 426 -9.667 -4.501 2.538 1.00 0.36 H new ATOM 0 HG2 GLN B 426 -8.935 -4.558 0.133 1.00 0.45 H new ATOM 0 HG3 GLN B 426 -7.897 -5.926 0.483 1.00 0.45 H new ATOM 0 HE21 GLN B 426 -9.542 -6.771 -1.335 1.00 1.09 H new ATOM 0 HE22 GLN B 426 -10.974 -7.592 -0.705 1.00 1.09 H new ATOM 2116 N PRO B 427 -8.426 -3.051 4.457 1.00 0.32 N ATOM 2117 CA PRO B 427 -8.858 -1.933 5.334 1.00 0.34 C ATOM 2118 C PRO B 427 -7.652 -1.105 5.785 1.00 0.31 C ATOM 2119 O PRO B 427 -7.787 0.032 6.191 1.00 0.35 O ATOM 2120 CB PRO B 427 -9.520 -2.635 6.517 1.00 0.39 C ATOM 2121 CG PRO B 427 -8.910 -3.999 6.545 1.00 0.38 C ATOM 2122 CD PRO B 427 -8.579 -4.357 5.119 1.00 0.35 C ATOM 0 HA PRO B 427 -9.529 -1.234 4.835 1.00 0.34 H new ATOM 0 HB2 PRO B 427 -9.334 -2.100 7.448 1.00 0.39 H new ATOM 0 HB3 PRO B 427 -10.601 -2.688 6.390 1.00 0.39 H new ATOM 0 HG2 PRO B 427 -8.013 -4.009 7.164 1.00 0.38 H new ATOM 0 HG3 PRO B 427 -9.602 -4.723 6.975 1.00 0.38 H new ATOM 0 HD2 PRO B 427 -7.665 -4.947 5.056 1.00 0.35 H new ATOM 0 HD3 PRO B 427 -9.372 -4.948 4.660 1.00 0.35 H new ATOM 2130 N GLU B 428 -6.474 -1.660 5.710 1.00 0.29 N ATOM 2131 CA GLU B 428 -5.266 -0.893 6.129 1.00 0.29 C ATOM 2132 C GLU B 428 -5.041 0.278 5.169 1.00 0.27 C ATOM 2133 O GLU B 428 -4.861 1.407 5.581 1.00 0.32 O ATOM 2134 CB GLU B 428 -4.110 -1.889 6.043 1.00 0.29 C ATOM 2135 CG GLU B 428 -3.513 -2.101 7.436 1.00 0.71 C ATOM 2136 CD GLU B 428 -2.905 -3.502 7.522 1.00 1.36 C ATOM 2137 OE1 GLU B 428 -2.370 -3.957 6.525 1.00 2.07 O ATOM 2138 OE2 GLU B 428 -2.984 -4.096 8.586 1.00 2.11 O ATOM 0 H GLU B 428 -6.295 -2.608 5.378 1.00 0.29 H new ATOM 0 HA GLU B 428 -5.363 -0.476 7.131 1.00 0.29 H new ATOM 0 HB2 GLU B 428 -4.463 -2.838 5.639 1.00 0.29 H new ATOM 0 HB3 GLU B 428 -3.345 -1.517 5.361 1.00 0.29 H new ATOM 0 HG2 GLU B 428 -2.750 -1.349 7.635 1.00 0.71 H new ATOM 0 HG3 GLU B 428 -4.285 -1.980 8.196 1.00 0.71 H new ATOM 2145 N LEU B 429 -5.058 0.018 3.890 1.00 0.25 N ATOM 2146 CA LEU B 429 -4.854 1.114 2.902 1.00 0.26 C ATOM 2147 C LEU B 429 -6.058 2.058 2.923 1.00 0.25 C ATOM 2148 O LEU B 429 -5.917 3.264 2.878 1.00 0.28 O ATOM 2149 CB LEU B 429 -4.739 0.410 1.548 1.00 0.26 C ATOM 2150 CG LEU B 429 -4.638 1.450 0.430 1.00 0.29 C ATOM 2151 CD1 LEU B 429 -3.200 1.507 -0.090 1.00 0.45 C ATOM 2152 CD2 LEU B 429 -5.578 1.058 -0.713 1.00 0.56 C ATOM 0 H LEU B 429 -5.205 -0.907 3.487 1.00 0.25 H new ATOM 0 HA LEU B 429 -3.971 1.716 3.118 1.00 0.26 H new ATOM 0 HB2 LEU B 429 -3.861 -0.236 1.537 1.00 0.26 H new ATOM 0 HB3 LEU B 429 -5.607 -0.229 1.385 1.00 0.26 H new ATOM 0 HG LEU B 429 -4.921 2.429 0.818 1.00 0.29 H new ATOM 0 HD11 LEU B 429 -3.130 2.248 -0.886 1.00 0.45 H new ATOM 0 HD12 LEU B 429 -2.530 1.784 0.724 1.00 0.45 H new ATOM 0 HD13 LEU B 429 -2.915 0.529 -0.478 1.00 0.45 H new ATOM 0 HD21 LEU B 429 -5.508 1.797 -1.511 1.00 0.56 H new ATOM 0 HD22 LEU B 429 -5.293 0.079 -1.099 1.00 0.56 H new ATOM 0 HD23 LEU B 429 -6.603 1.018 -0.344 1.00 0.56 H new ATOM 2164 N GLU B 430 -7.245 1.516 3.000 1.00 0.26 N ATOM 2165 CA GLU B 430 -8.457 2.384 3.033 1.00 0.28 C ATOM 2166 C GLU B 430 -8.416 3.283 4.270 1.00 0.30 C ATOM 2167 O GLU B 430 -8.877 4.407 4.251 1.00 0.33 O ATOM 2168 CB GLU B 430 -9.639 1.415 3.112 1.00 0.30 C ATOM 2169 CG GLU B 430 -10.557 1.630 1.907 1.00 0.61 C ATOM 2170 CD GLU B 430 -10.042 0.813 0.720 1.00 1.45 C ATOM 2171 OE1 GLU B 430 -8.872 0.468 0.728 1.00 2.17 O ATOM 2172 OE2 GLU B 430 -10.827 0.546 -0.175 1.00 2.05 O ATOM 0 H GLU B 430 -7.427 0.513 3.041 1.00 0.26 H new ATOM 0 HA GLU B 430 -8.527 3.036 2.162 1.00 0.28 H new ATOM 0 HB2 GLU B 430 -9.279 0.386 3.129 1.00 0.30 H new ATOM 0 HB3 GLU B 430 -10.193 1.575 4.037 1.00 0.30 H new ATOM 0 HG2 GLU B 430 -11.575 1.330 2.154 1.00 0.61 H new ATOM 0 HG3 GLU B 430 -10.591 2.688 1.647 1.00 0.61 H new ATOM 2179 N ARG B 431 -7.864 2.792 5.347 1.00 0.33 N ATOM 2180 CA ARG B 431 -7.787 3.615 6.589 1.00 0.37 C ATOM 2181 C ARG B 431 -6.719 4.702 6.436 1.00 0.36 C ATOM 2182 O ARG B 431 -6.954 5.858 6.721 1.00 0.38 O ATOM 2183 CB ARG B 431 -7.397 2.629 7.692 1.00 0.41 C ATOM 2184 CG ARG B 431 -7.613 3.280 9.059 1.00 0.59 C ATOM 2185 CD ARG B 431 -9.046 3.018 9.530 1.00 1.32 C ATOM 2186 NE ARG B 431 -9.020 3.263 10.998 1.00 1.56 N ATOM 2187 CZ ARG B 431 -9.274 4.455 11.465 1.00 2.19 C ATOM 2188 NH1 ARG B 431 -10.501 4.896 11.496 1.00 2.87 N ATOM 2189 NH2 ARG B 431 -8.299 5.206 11.903 1.00 2.78 N ATOM 0 H ARG B 431 -7.463 1.857 5.421 1.00 0.33 H new ATOM 0 HA ARG B 431 -8.726 4.122 6.810 1.00 0.37 H new ATOM 0 HB2 ARG B 431 -7.995 1.721 7.611 1.00 0.41 H new ATOM 0 HB3 ARG B 431 -6.354 2.334 7.579 1.00 0.41 H new ATOM 0 HG2 ARG B 431 -6.903 2.878 9.781 1.00 0.59 H new ATOM 0 HG3 ARG B 431 -7.430 4.353 8.995 1.00 0.59 H new ATOM 0 HD2 ARG B 431 -9.753 3.681 9.032 1.00 1.32 H new ATOM 0 HD3 ARG B 431 -9.355 1.997 9.306 1.00 1.32 H new ATOM 0 HE ARG B 431 -8.804 2.499 11.639 1.00 1.56 H new ATOM 0 HH11 ARG B 431 -11.263 4.309 11.155 1.00 2.87 H new ATOM 0 HH12 ARG B 431 -10.699 5.828 11.861 1.00 2.87 H new ATOM 0 HH21 ARG B 431 -7.339 4.861 11.880 1.00 2.78 H new ATOM 0 HH22 ARG B 431 -8.497 6.138 12.268 1.00 2.78 H new ATOM 2203 N THR B 432 -5.548 4.339 5.989 1.00 0.41 N ATOM 2204 CA THR B 432 -4.467 5.353 5.818 1.00 0.45 C ATOM 2205 C THR B 432 -4.953 6.490 4.915 1.00 0.40 C ATOM 2206 O THR B 432 -4.856 7.652 5.258 1.00 0.56 O ATOM 2207 CB THR B 432 -3.313 4.598 5.155 1.00 0.53 C ATOM 2208 OG1 THR B 432 -2.943 3.495 5.971 1.00 0.61 O ATOM 2209 CG2 THR B 432 -2.116 5.535 4.986 1.00 0.62 C ATOM 0 H THR B 432 -5.292 3.385 5.735 1.00 0.41 H new ATOM 0 HA THR B 432 -4.167 5.802 6.765 1.00 0.45 H new ATOM 0 HB THR B 432 -3.628 4.238 4.176 1.00 0.53 H new ATOM 0 HG1 THR B 432 -3.491 2.717 5.737 1.00 0.61 H new ATOM 0 HG21 THR B 432 -1.295 4.995 4.514 1.00 0.62 H new ATOM 0 HG22 THR B 432 -2.402 6.381 4.361 1.00 0.62 H new ATOM 0 HG23 THR B 432 -1.797 5.898 5.963 1.00 0.62 H new ATOM 2217 N LEU B 433 -5.477 6.163 3.766 1.00 0.33 N ATOM 2218 CA LEU B 433 -5.972 7.224 2.843 1.00 0.30 C ATOM 2219 C LEU B 433 -7.182 7.934 3.456 1.00 0.27 C ATOM 2220 O LEU B 433 -7.257 9.147 3.480 1.00 0.25 O ATOM 2221 CB LEU B 433 -6.379 6.482 1.569 1.00 0.37 C ATOM 2222 CG LEU B 433 -5.794 7.198 0.351 1.00 0.42 C ATOM 2223 CD1 LEU B 433 -6.330 8.629 0.293 1.00 0.41 C ATOM 2224 CD2 LEU B 433 -4.268 7.231 0.464 1.00 0.44 C ATOM 0 H LEU B 433 -5.584 5.207 3.426 1.00 0.33 H new ATOM 0 HA LEU B 433 -5.218 7.987 2.649 1.00 0.30 H new ATOM 0 HB2 LEU B 433 -6.022 5.453 1.605 1.00 0.37 H new ATOM 0 HB3 LEU B 433 -7.465 6.440 1.492 1.00 0.37 H new ATOM 0 HG LEU B 433 -6.081 6.665 -0.555 1.00 0.42 H new ATOM 0 HD11 LEU B 433 -5.913 9.139 -0.575 1.00 0.41 H new ATOM 0 HD12 LEU B 433 -7.417 8.607 0.214 1.00 0.41 H new ATOM 0 HD13 LEU B 433 -6.043 9.162 1.199 1.00 0.41 H new ATOM 0 HD21 LEU B 433 -3.850 7.741 -0.404 1.00 0.44 H new ATOM 0 HD22 LEU B 433 -3.982 7.764 1.371 1.00 0.44 H new ATOM 0 HD23 LEU B 433 -3.884 6.212 0.505 1.00 0.44 H new ATOM 2236 N LEU B 434 -8.129 7.186 3.954 1.00 0.32 N ATOM 2237 CA LEU B 434 -9.334 7.814 4.567 1.00 0.32 C ATOM 2238 C LEU B 434 -8.919 8.812 5.651 1.00 0.29 C ATOM 2239 O LEU B 434 -9.490 9.876 5.780 1.00 0.30 O ATOM 2240 CB LEU B 434 -10.116 6.651 5.178 1.00 0.41 C ATOM 2241 CG LEU B 434 -11.355 7.186 5.897 1.00 0.65 C ATOM 2242 CD1 LEU B 434 -12.595 6.925 5.039 1.00 0.84 C ATOM 2243 CD2 LEU B 434 -11.510 6.473 7.242 1.00 1.14 C ATOM 0 H LEU B 434 -8.120 6.166 3.963 1.00 0.32 H new ATOM 0 HA LEU B 434 -9.927 8.368 3.839 1.00 0.32 H new ATOM 0 HB2 LEU B 434 -10.411 5.949 4.398 1.00 0.41 H new ATOM 0 HB3 LEU B 434 -9.485 6.104 5.878 1.00 0.41 H new ATOM 0 HG LEU B 434 -11.245 8.258 6.062 1.00 0.65 H new ATOM 0 HD11 LEU B 434 -13.479 7.306 5.551 1.00 0.84 H new ATOM 0 HD12 LEU B 434 -12.486 7.430 4.079 1.00 0.84 H new ATOM 0 HD13 LEU B 434 -12.705 5.853 4.875 1.00 0.84 H new ATOM 0 HD21 LEU B 434 -12.393 6.853 7.756 1.00 1.14 H new ATOM 0 HD22 LEU B 434 -11.621 5.402 7.075 1.00 1.14 H new ATOM 0 HD23 LEU B 434 -10.627 6.656 7.854 1.00 1.14 H new ATOM 2255 N THR B 435 -7.929 8.477 6.433 1.00 0.34 N ATOM 2256 CA THR B 435 -7.483 9.409 7.509 1.00 0.37 C ATOM 2257 C THR B 435 -6.731 10.596 6.904 1.00 0.35 C ATOM 2258 O THR B 435 -6.906 11.726 7.313 1.00 0.39 O ATOM 2259 CB THR B 435 -6.553 8.576 8.394 1.00 0.45 C ATOM 2260 OG1 THR B 435 -7.279 7.489 8.950 1.00 0.52 O ATOM 2261 CG2 THR B 435 -5.996 9.451 9.518 1.00 0.55 C ATOM 0 H THR B 435 -7.411 7.601 6.374 1.00 0.34 H new ATOM 0 HA THR B 435 -8.320 9.820 8.072 1.00 0.37 H new ATOM 0 HB THR B 435 -5.728 8.192 7.795 1.00 0.45 H new ATOM 0 HG1 THR B 435 -7.317 6.755 8.301 1.00 0.52 H new ATOM 0 HG21 THR B 435 -5.334 8.857 10.148 1.00 0.55 H new ATOM 0 HG22 THR B 435 -5.438 10.283 9.089 1.00 0.55 H new ATOM 0 HG23 THR B 435 -6.819 9.838 10.120 1.00 0.55 H new ATOM 2269 N THR B 436 -5.895 10.350 5.933 1.00 0.33 N ATOM 2270 CA THR B 436 -5.135 11.470 5.307 1.00 0.36 C ATOM 2271 C THR B 436 -6.105 12.484 4.694 1.00 0.36 C ATOM 2272 O THR B 436 -6.196 13.612 5.134 1.00 0.40 O ATOM 2273 CB THR B 436 -4.283 10.816 4.219 1.00 0.38 C ATOM 2274 OG1 THR B 436 -3.618 9.681 4.759 1.00 0.39 O ATOM 2275 CG2 THR B 436 -3.250 11.820 3.707 1.00 0.49 C ATOM 0 H THR B 436 -5.705 9.425 5.547 1.00 0.33 H new ATOM 0 HA THR B 436 -4.523 12.010 6.030 1.00 0.36 H new ATOM 0 HB THR B 436 -4.923 10.504 3.393 1.00 0.38 H new ATOM 0 HG1 THR B 436 -4.154 8.878 4.592 1.00 0.39 H new ATOM 0 HG21 THR B 436 -2.643 11.354 2.931 1.00 0.49 H new ATOM 0 HG22 THR B 436 -3.761 12.689 3.294 1.00 0.49 H new ATOM 0 HG23 THR B 436 -2.608 12.134 4.530 1.00 0.49 H new ATOM 2283 N ALA B 437 -6.834 12.089 3.687 1.00 0.34 N ATOM 2284 CA ALA B 437 -7.800 13.032 3.055 1.00 0.36 C ATOM 2285 C ALA B 437 -8.733 13.607 4.118 1.00 0.36 C ATOM 2286 O ALA B 437 -9.055 14.779 4.103 1.00 0.41 O ATOM 2287 CB ALA B 437 -8.580 12.189 2.046 1.00 0.35 C ATOM 0 H ALA B 437 -6.803 11.156 3.275 1.00 0.34 H new ATOM 0 HA ALA B 437 -7.305 13.876 2.574 1.00 0.36 H new ATOM 0 HB1 ALA B 437 -9.313 12.815 1.538 1.00 0.35 H new ATOM 0 HB2 ALA B 437 -7.891 11.770 1.313 1.00 0.35 H new ATOM 0 HB3 ALA B 437 -9.092 11.380 2.567 1.00 0.35 H new ATOM 2293 N LEU B 438 -9.163 12.801 5.052 1.00 0.34 N ATOM 2294 CA LEU B 438 -10.063 13.331 6.111 1.00 0.36 C ATOM 2295 C LEU B 438 -9.339 14.436 6.880 1.00 0.42 C ATOM 2296 O LEU B 438 -9.924 15.436 7.240 1.00 0.46 O ATOM 2297 CB LEU B 438 -10.379 12.148 7.034 1.00 0.36 C ATOM 2298 CG LEU B 438 -11.137 12.650 8.273 1.00 0.41 C ATOM 2299 CD1 LEU B 438 -12.364 13.458 7.841 1.00 0.42 C ATOM 2300 CD2 LEU B 438 -11.597 11.459 9.114 1.00 0.45 C ATOM 0 H LEU B 438 -8.932 11.810 5.126 1.00 0.34 H new ATOM 0 HA LEU B 438 -10.978 13.756 5.699 1.00 0.36 H new ATOM 0 HB2 LEU B 438 -10.979 11.409 6.503 1.00 0.36 H new ATOM 0 HB3 LEU B 438 -9.456 11.652 7.336 1.00 0.36 H new ATOM 0 HG LEU B 438 -10.471 13.282 8.861 1.00 0.41 H new ATOM 0 HD11 LEU B 438 -12.897 13.811 8.724 1.00 0.42 H new ATOM 0 HD12 LEU B 438 -12.045 14.312 7.244 1.00 0.42 H new ATOM 0 HD13 LEU B 438 -13.025 12.827 7.247 1.00 0.42 H new ATOM 0 HD21 LEU B 438 -12.134 11.819 9.992 1.00 0.45 H new ATOM 0 HD22 LEU B 438 -12.256 10.827 8.519 1.00 0.45 H new ATOM 0 HD23 LEU B 438 -10.729 10.881 9.432 1.00 0.45 H new ATOM 2312 N ARG B 439 -8.064 14.271 7.126 1.00 0.43 N ATOM 2313 CA ARG B 439 -7.309 15.327 7.862 1.00 0.50 C ATOM 2314 C ARG B 439 -7.565 16.685 7.206 1.00 0.54 C ATOM 2315 O ARG B 439 -7.741 17.687 7.871 1.00 0.60 O ATOM 2316 CB ARG B 439 -5.837 14.935 7.738 1.00 0.52 C ATOM 2317 CG ARG B 439 -4.981 15.888 8.576 1.00 0.77 C ATOM 2318 CD ARG B 439 -3.597 16.029 7.939 1.00 1.27 C ATOM 2319 NE ARG B 439 -2.689 16.377 9.067 1.00 1.73 N ATOM 2320 CZ ARG B 439 -2.080 17.532 9.082 1.00 2.28 C ATOM 2321 NH1 ARG B 439 -2.702 18.593 9.519 1.00 2.89 N ATOM 2322 NH2 ARG B 439 -0.849 17.627 8.659 1.00 2.81 N ATOM 0 H ARG B 439 -7.517 13.455 6.851 1.00 0.43 H new ATOM 0 HA ARG B 439 -7.611 15.407 8.906 1.00 0.50 H new ATOM 0 HB2 ARG B 439 -5.694 13.909 8.076 1.00 0.52 H new ATOM 0 HB3 ARG B 439 -5.526 14.973 6.694 1.00 0.52 H new ATOM 0 HG2 ARG B 439 -5.463 16.863 8.642 1.00 0.77 H new ATOM 0 HG3 ARG B 439 -4.887 15.509 9.594 1.00 0.77 H new ATOM 0 HD2 ARG B 439 -3.289 15.102 7.455 1.00 1.27 H new ATOM 0 HD3 ARG B 439 -3.592 16.805 7.174 1.00 1.27 H new ATOM 0 HE ARG B 439 -2.543 15.713 9.828 1.00 1.73 H new ATOM 0 HH11 ARG B 439 -3.664 18.520 9.849 1.00 2.89 H new ATOM 0 HH12 ARG B 439 -2.226 19.495 9.530 1.00 2.89 H new ATOM 0 HH21 ARG B 439 -0.362 16.799 8.316 1.00 2.81 H new ATOM 0 HH22 ARG B 439 -0.374 18.529 8.671 1.00 2.81 H new ATOM 2336 N HIS B 440 -7.617 16.715 5.901 1.00 0.52 N ATOM 2337 CA HIS B 440 -7.897 17.998 5.201 1.00 0.57 C ATOM 2338 C HIS B 440 -9.274 18.500 5.640 1.00 0.58 C ATOM 2339 O HIS B 440 -9.520 19.686 5.735 1.00 0.64 O ATOM 2340 CB HIS B 440 -7.890 17.645 3.712 1.00 0.55 C ATOM 2341 CG HIS B 440 -8.118 18.890 2.901 1.00 0.63 C ATOM 2342 ND1 HIS B 440 -7.254 19.971 2.950 1.00 1.04 N ATOM 2343 CD2 HIS B 440 -9.108 19.239 2.017 1.00 0.82 C ATOM 2344 CE1 HIS B 440 -7.736 20.912 2.118 1.00 0.97 C ATOM 2345 NE2 HIS B 440 -8.866 20.517 1.524 1.00 0.75 N ATOM 0 H HIS B 440 -7.478 15.908 5.293 1.00 0.52 H new ATOM 0 HA HIS B 440 -7.172 18.782 5.422 1.00 0.57 H new ATOM 0 HB2 HIS B 440 -6.938 17.190 3.440 1.00 0.55 H new ATOM 0 HB3 HIS B 440 -8.667 16.911 3.498 1.00 0.55 H new ATOM 0 HD2 HIS B 440 -9.947 18.616 1.745 1.00 0.82 H new ATOM 0 HE1 HIS B 440 -7.267 21.870 1.951 1.00 0.97 H new ATOM 0 HE2 HIS B 440 -9.430 21.040 0.854 1.00 0.75 H new ATOM 2353 N THR B 441 -10.163 17.589 5.927 1.00 0.53 N ATOM 2354 CA THR B 441 -11.529 17.972 6.387 1.00 0.55 C ATOM 2355 C THR B 441 -11.826 17.246 7.702 1.00 0.56 C ATOM 2356 O THR B 441 -12.856 16.623 7.862 1.00 0.55 O ATOM 2357 CB THR B 441 -12.482 17.496 5.286 1.00 0.53 C ATOM 2358 OG1 THR B 441 -12.521 16.075 5.279 1.00 0.48 O ATOM 2359 CG2 THR B 441 -12.002 17.999 3.922 1.00 0.54 C ATOM 0 H THR B 441 -10.000 16.584 5.862 1.00 0.53 H new ATOM 0 HA THR B 441 -11.632 19.043 6.560 1.00 0.55 H new ATOM 0 HB THR B 441 -13.479 17.892 5.480 1.00 0.53 H new ATOM 0 HG1 THR B 441 -12.972 15.756 6.088 1.00 0.48 H new ATOM 0 HG21 THR B 441 -12.686 17.655 3.146 1.00 0.54 H new ATOM 0 HG22 THR B 441 -11.975 19.089 3.925 1.00 0.54 H new ATOM 0 HG23 THR B 441 -11.003 17.612 3.722 1.00 0.54 H new ATOM 2367 N GLN B 442 -10.906 17.307 8.632 1.00 0.59 N ATOM 2368 CA GLN B 442 -11.085 16.610 9.944 1.00 0.62 C ATOM 2369 C GLN B 442 -12.512 16.763 10.482 1.00 0.64 C ATOM 2370 O GLN B 442 -13.007 17.858 10.665 1.00 0.69 O ATOM 2371 CB GLN B 442 -10.089 17.292 10.883 1.00 0.69 C ATOM 2372 CG GLN B 442 -9.364 16.234 11.717 1.00 1.43 C ATOM 2373 CD GLN B 442 -8.842 16.873 13.006 1.00 1.79 C ATOM 2374 OE1 GLN B 442 -9.135 18.016 13.293 1.00 2.16 O ATOM 2375 NE2 GLN B 442 -8.074 16.177 13.800 1.00 2.47 N ATOM 0 H GLN B 442 -10.027 17.816 8.537 1.00 0.59 H new ATOM 0 HA GLN B 442 -10.915 15.537 9.850 1.00 0.62 H new ATOM 0 HB2 GLN B 442 -9.368 17.872 10.306 1.00 0.69 H new ATOM 0 HB3 GLN B 442 -10.610 17.991 11.537 1.00 0.69 H new ATOM 0 HG2 GLN B 442 -10.042 15.414 11.953 1.00 1.43 H new ATOM 0 HG3 GLN B 442 -8.537 15.810 11.147 1.00 1.43 H new ATOM 0 HE21 GLN B 442 -7.828 15.217 13.559 1.00 2.47 H new ATOM 0 HE22 GLN B 442 -7.720 16.593 14.661 1.00 2.47 H new ATOM 2384 N GLY B 443 -13.168 15.666 10.749 1.00 0.63 N ATOM 2385 CA GLY B 443 -14.556 15.733 11.289 1.00 0.66 C ATOM 2386 C GLY B 443 -15.568 15.743 10.142 1.00 0.64 C ATOM 2387 O GLY B 443 -16.579 15.071 10.192 1.00 0.66 O ATOM 0 H GLY B 443 -12.801 14.724 10.616 1.00 0.63 H new ATOM 0 HA2 GLY B 443 -14.742 14.879 11.941 1.00 0.66 H new ATOM 0 HA3 GLY B 443 -14.675 16.630 11.897 1.00 0.66 H new ATOM 2391 N HIS B 444 -15.312 16.500 9.110 1.00 0.62 N ATOM 2392 CA HIS B 444 -16.271 16.546 7.968 1.00 0.62 C ATOM 2393 C HIS B 444 -16.592 15.128 7.489 1.00 0.67 C ATOM 2394 O HIS B 444 -17.739 14.760 7.343 1.00 1.34 O ATOM 2395 CB HIS B 444 -15.548 17.330 6.875 1.00 0.63 C ATOM 2396 CG HIS B 444 -15.237 18.717 7.370 1.00 0.95 C ATOM 2397 ND1 HIS B 444 -14.787 19.719 6.525 1.00 1.52 N ATOM 2398 CD2 HIS B 444 -15.311 19.284 8.618 1.00 1.62 C ATOM 2399 CE1 HIS B 444 -14.609 20.827 7.268 1.00 1.77 C ATOM 2400 NE2 HIS B 444 -14.913 20.616 8.551 1.00 1.86 N ATOM 0 H HIS B 444 -14.484 17.087 9.008 1.00 0.62 H new ATOM 0 HA HIS B 444 -17.218 17.010 8.243 1.00 0.62 H new ATOM 0 HB2 HIS B 444 -14.627 16.818 6.595 1.00 0.63 H new ATOM 0 HB3 HIS B 444 -16.168 17.383 5.980 1.00 0.63 H new ATOM 0 HD2 HIS B 444 -15.630 18.774 9.515 1.00 1.62 H new ATOM 0 HE1 HIS B 444 -14.263 21.771 6.875 1.00 1.77 H new ATOM 0 HE2 HIS B 444 -14.864 21.287 9.318 1.00 1.86 H new ATOM 2408 N LYS B 445 -15.579 14.331 7.248 1.00 0.62 N ATOM 2409 CA LYS B 445 -15.799 12.924 6.776 1.00 0.51 C ATOM 2410 C LYS B 445 -16.442 12.921 5.384 1.00 0.51 C ATOM 2411 O LYS B 445 -15.833 12.521 4.412 1.00 0.57 O ATOM 2412 CB LYS B 445 -16.730 12.274 7.805 1.00 0.62 C ATOM 2413 CG LYS B 445 -16.657 10.753 7.668 1.00 1.31 C ATOM 2414 CD LYS B 445 -18.045 10.153 7.900 1.00 1.56 C ATOM 2415 CE LYS B 445 -18.364 10.172 9.397 1.00 2.23 C ATOM 2416 NZ LYS B 445 -17.962 8.826 9.892 1.00 2.52 N ATOM 0 H LYS B 445 -14.600 14.596 7.359 1.00 0.62 H new ATOM 0 HA LYS B 445 -14.859 12.378 6.692 1.00 0.51 H new ATOM 0 HB2 LYS B 445 -16.442 12.573 8.813 1.00 0.62 H new ATOM 0 HB3 LYS B 445 -17.754 12.615 7.652 1.00 0.62 H new ATOM 0 HG2 LYS B 445 -16.294 10.484 6.676 1.00 1.31 H new ATOM 0 HG3 LYS B 445 -15.948 10.346 8.389 1.00 1.31 H new ATOM 0 HD2 LYS B 445 -18.795 10.721 7.350 1.00 1.56 H new ATOM 0 HD3 LYS B 445 -18.079 9.131 7.523 1.00 1.56 H new ATOM 0 HE2 LYS B 445 -17.813 10.962 9.908 1.00 2.23 H new ATOM 0 HE3 LYS B 445 -19.424 10.357 9.573 1.00 2.23 H new ATOM 0 HZ1 LYS B 445 -18.150 8.761 10.913 1.00 2.52 H new ATOM 0 HZ2 LYS B 445 -18.507 8.095 9.392 1.00 2.52 H new ATOM 0 HZ3 LYS B 445 -16.947 8.681 9.717 1.00 2.52 H new ATOM 2430 N GLN B 446 -17.666 13.365 5.277 1.00 0.53 N ATOM 2431 CA GLN B 446 -18.343 13.388 3.947 1.00 0.56 C ATOM 2432 C GLN B 446 -17.453 14.088 2.916 1.00 0.52 C ATOM 2433 O GLN B 446 -17.370 13.680 1.774 1.00 0.51 O ATOM 2434 CB GLN B 446 -19.631 14.182 4.172 1.00 0.64 C ATOM 2435 CG GLN B 446 -20.817 13.408 3.592 1.00 1.11 C ATOM 2436 CD GLN B 446 -21.846 14.393 3.034 1.00 1.79 C ATOM 2437 OE1 GLN B 446 -21.566 15.567 2.891 1.00 2.45 O ATOM 2438 NE2 GLN B 446 -23.035 13.962 2.710 1.00 2.40 N ATOM 0 H GLN B 446 -18.227 13.713 6.054 1.00 0.53 H new ATOM 0 HA GLN B 446 -18.544 12.386 3.567 1.00 0.56 H new ATOM 0 HB2 GLN B 446 -19.782 14.355 5.237 1.00 0.64 H new ATOM 0 HB3 GLN B 446 -19.555 15.160 3.698 1.00 0.64 H new ATOM 0 HG2 GLN B 446 -20.476 12.737 2.804 1.00 1.11 H new ATOM 0 HG3 GLN B 446 -21.273 12.788 4.364 1.00 1.11 H new ATOM 0 HE21 GLN B 446 -23.271 12.977 2.830 1.00 2.40 H new ATOM 0 HE22 GLN B 446 -23.728 14.610 2.337 1.00 2.40 H new ATOM 2447 N GLU B 447 -16.782 15.136 3.312 1.00 0.52 N ATOM 2448 CA GLU B 447 -15.893 15.856 2.356 1.00 0.51 C ATOM 2449 C GLU B 447 -14.879 14.880 1.757 1.00 0.45 C ATOM 2450 O GLU B 447 -14.560 14.941 0.586 1.00 0.45 O ATOM 2451 CB GLU B 447 -15.188 16.921 3.196 1.00 0.53 C ATOM 2452 CG GLU B 447 -15.304 18.280 2.502 1.00 0.80 C ATOM 2453 CD GLU B 447 -14.391 18.309 1.275 1.00 1.32 C ATOM 2454 OE1 GLU B 447 -14.486 17.397 0.470 1.00 2.14 O ATOM 2455 OE2 GLU B 447 -13.612 19.241 1.162 1.00 1.96 O ATOM 0 H GLU B 447 -16.811 15.524 4.255 1.00 0.52 H new ATOM 0 HA GLU B 447 -16.442 16.298 1.524 1.00 0.51 H new ATOM 0 HB2 GLU B 447 -15.634 16.969 4.190 1.00 0.53 H new ATOM 0 HB3 GLU B 447 -14.139 16.658 3.330 1.00 0.53 H new ATOM 0 HG2 GLU B 447 -16.337 18.460 2.204 1.00 0.80 H new ATOM 0 HG3 GLU B 447 -15.028 19.077 3.192 1.00 0.80 H new ATOM 2462 N ALA B 448 -14.375 13.974 2.552 1.00 0.43 N ATOM 2463 CA ALA B 448 -13.387 12.987 2.026 1.00 0.39 C ATOM 2464 C ALA B 448 -13.953 12.293 0.784 1.00 0.40 C ATOM 2465 O ALA B 448 -13.223 11.792 -0.049 1.00 0.40 O ATOM 2466 CB ALA B 448 -13.185 11.981 3.159 1.00 0.39 C ATOM 0 H ALA B 448 -14.604 13.875 3.541 1.00 0.43 H new ATOM 0 HA ALA B 448 -12.448 13.456 1.731 1.00 0.39 H new ATOM 0 HB1 ALA B 448 -12.469 11.221 2.847 1.00 0.39 H new ATOM 0 HB2 ALA B 448 -12.805 12.497 4.041 1.00 0.39 H new ATOM 0 HB3 ALA B 448 -14.137 11.507 3.398 1.00 0.39 H new ATOM 2472 N ALA B 449 -15.252 12.265 0.656 1.00 0.44 N ATOM 2473 CA ALA B 449 -15.873 11.609 -0.530 1.00 0.47 C ATOM 2474 C ALA B 449 -15.263 12.166 -1.819 1.00 0.48 C ATOM 2475 O ALA B 449 -14.587 11.470 -2.550 1.00 0.49 O ATOM 2476 CB ALA B 449 -17.356 11.973 -0.444 1.00 0.52 C ATOM 0 H ALA B 449 -15.911 12.669 1.322 1.00 0.44 H new ATOM 0 HA ALA B 449 -15.713 10.531 -0.540 1.00 0.47 H new ATOM 0 HB1 ALA B 449 -17.889 11.528 -1.284 1.00 0.52 H new ATOM 0 HB2 ALA B 449 -17.770 11.594 0.490 1.00 0.52 H new ATOM 0 HB3 ALA B 449 -17.467 13.057 -0.477 1.00 0.52 H new ATOM 2482 N ARG B 450 -15.498 13.418 -2.099 1.00 0.49 N ATOM 2483 CA ARG B 450 -14.933 14.025 -3.337 1.00 0.52 C ATOM 2484 C ARG B 450 -13.404 13.958 -3.305 1.00 0.49 C ATOM 2485 O ARG B 450 -12.760 13.738 -4.311 1.00 0.50 O ATOM 2486 CB ARG B 450 -15.409 15.478 -3.314 1.00 0.57 C ATOM 2487 CG ARG B 450 -15.023 16.165 -4.625 1.00 0.78 C ATOM 2488 CD ARG B 450 -15.477 17.627 -4.588 1.00 1.37 C ATOM 2489 NE ARG B 450 -14.970 18.219 -5.857 1.00 1.76 N ATOM 2490 CZ ARG B 450 -15.057 19.507 -6.056 1.00 2.35 C ATOM 2491 NH1 ARG B 450 -14.771 20.336 -5.090 1.00 2.93 N ATOM 2492 NH2 ARG B 450 -15.428 19.965 -7.220 1.00 2.97 N ATOM 0 H ARG B 450 -16.057 14.048 -1.524 1.00 0.49 H new ATOM 0 HA ARG B 450 -15.254 13.505 -4.240 1.00 0.52 H new ATOM 0 HB2 ARG B 450 -16.490 15.515 -3.177 1.00 0.57 H new ATOM 0 HB3 ARG B 450 -14.962 16.004 -2.471 1.00 0.57 H new ATOM 0 HG2 ARG B 450 -13.944 16.112 -4.772 1.00 0.78 H new ATOM 0 HG3 ARG B 450 -15.485 15.651 -5.467 1.00 0.78 H new ATOM 0 HD2 ARG B 450 -16.563 17.702 -4.523 1.00 1.37 H new ATOM 0 HD3 ARG B 450 -15.069 18.145 -3.720 1.00 1.37 H new ATOM 0 HE ARG B 450 -14.555 17.619 -6.570 1.00 1.76 H new ATOM 0 HH11 ARG B 450 -14.480 19.978 -4.180 1.00 2.93 H new ATOM 0 HH12 ARG B 450 -14.839 21.342 -5.244 1.00 2.93 H new ATOM 0 HH21 ARG B 450 -15.650 19.317 -7.976 1.00 2.97 H new ATOM 0 HH22 ARG B 450 -15.496 20.971 -7.374 1.00 2.97 H new ATOM 2506 N LEU B 451 -12.817 14.148 -2.154 1.00 0.48 N ATOM 2507 CA LEU B 451 -11.331 14.095 -2.056 1.00 0.47 C ATOM 2508 C LEU B 451 -10.813 12.758 -2.594 1.00 0.44 C ATOM 2509 O LEU B 451 -9.706 12.663 -3.086 1.00 0.48 O ATOM 2510 CB LEU B 451 -11.026 14.229 -0.565 1.00 0.46 C ATOM 2511 CG LEU B 451 -10.556 15.653 -0.265 1.00 0.53 C ATOM 2512 CD1 LEU B 451 -11.728 16.476 0.273 1.00 0.92 C ATOM 2513 CD2 LEU B 451 -9.441 15.611 0.782 1.00 1.04 C ATOM 0 H LEU B 451 -13.303 14.338 -1.278 1.00 0.48 H new ATOM 0 HA LEU B 451 -10.850 14.879 -2.641 1.00 0.47 H new ATOM 0 HB2 LEU B 451 -11.915 13.998 0.021 1.00 0.46 H new ATOM 0 HB3 LEU B 451 -10.258 13.513 -0.275 1.00 0.46 H new ATOM 0 HG LEU B 451 -10.180 16.111 -1.180 1.00 0.53 H new ATOM 0 HD11 LEU B 451 -11.392 17.491 0.487 1.00 0.92 H new ATOM 0 HD12 LEU B 451 -12.524 16.506 -0.472 1.00 0.92 H new ATOM 0 HD13 LEU B 451 -12.104 16.018 1.188 1.00 0.92 H new ATOM 0 HD21 LEU B 451 -9.105 16.625 0.997 1.00 1.04 H new ATOM 0 HD22 LEU B 451 -9.818 15.152 1.696 1.00 1.04 H new ATOM 0 HD23 LEU B 451 -8.605 15.025 0.400 1.00 1.04 H new ATOM 2525 N LEU B 452 -11.606 11.724 -2.507 1.00 0.42 N ATOM 2526 CA LEU B 452 -11.155 10.396 -3.017 1.00 0.40 C ATOM 2527 C LEU B 452 -12.008 9.969 -4.216 1.00 0.46 C ATOM 2528 O LEU B 452 -12.016 8.817 -4.599 1.00 0.51 O ATOM 2529 CB LEU B 452 -11.361 9.427 -1.850 1.00 0.37 C ATOM 2530 CG LEU B 452 -10.593 9.917 -0.621 1.00 0.35 C ATOM 2531 CD1 LEU B 452 -11.381 9.571 0.644 1.00 0.31 C ATOM 2532 CD2 LEU B 452 -9.225 9.232 -0.569 1.00 0.43 C ATOM 0 H LEU B 452 -12.544 11.741 -2.106 1.00 0.42 H new ATOM 0 HA LEU B 452 -10.118 10.419 -3.353 1.00 0.40 H new ATOM 0 HB2 LEU B 452 -12.423 9.346 -1.617 1.00 0.37 H new ATOM 0 HB3 LEU B 452 -11.019 8.430 -2.129 1.00 0.37 H new ATOM 0 HG LEU B 452 -10.459 10.997 -0.683 1.00 0.35 H new ATOM 0 HD11 LEU B 452 -10.834 9.920 1.520 1.00 0.31 H new ATOM 0 HD12 LEU B 452 -12.357 10.055 0.609 1.00 0.31 H new ATOM 0 HD13 LEU B 452 -11.514 8.491 0.706 1.00 0.31 H new ATOM 0 HD21 LEU B 452 -8.677 9.580 0.306 1.00 0.43 H new ATOM 0 HD22 LEU B 452 -9.361 8.152 -0.506 1.00 0.43 H new ATOM 0 HD23 LEU B 452 -8.662 9.475 -1.470 1.00 0.43 H new ATOM 2544 N GLY B 453 -12.729 10.883 -4.811 1.00 0.50 N ATOM 2545 CA GLY B 453 -13.580 10.516 -5.981 1.00 0.56 C ATOM 2546 C GLY B 453 -14.500 9.357 -5.594 1.00 0.58 C ATOM 2547 O GLY B 453 -14.751 8.460 -6.374 1.00 0.68 O ATOM 0 H GLY B 453 -12.765 11.865 -4.538 1.00 0.50 H new ATOM 0 HA2 GLY B 453 -14.172 11.375 -6.298 1.00 0.56 H new ATOM 0 HA3 GLY B 453 -12.953 10.231 -6.826 1.00 0.56 H new ATOM 2551 N TRP B 454 -14.997 9.368 -4.389 1.00 0.54 N ATOM 2552 CA TRP B 454 -15.896 8.267 -3.935 1.00 0.60 C ATOM 2553 C TRP B 454 -17.349 8.746 -3.875 1.00 0.69 C ATOM 2554 O TRP B 454 -18.163 8.411 -4.713 1.00 1.16 O ATOM 2555 CB TRP B 454 -15.402 7.914 -2.531 1.00 0.53 C ATOM 2556 CG TRP B 454 -14.314 6.886 -2.602 1.00 0.52 C ATOM 2557 CD1 TRP B 454 -13.489 6.685 -3.660 1.00 0.58 C ATOM 2558 CD2 TRP B 454 -13.917 5.922 -1.586 1.00 0.50 C ATOM 2559 NE1 TRP B 454 -12.612 5.657 -3.359 1.00 0.58 N ATOM 2560 CE2 TRP B 454 -12.832 5.151 -2.093 1.00 0.52 C ATOM 2561 CE3 TRP B 454 -14.389 5.639 -0.277 1.00 0.51 C ATOM 2562 CZ2 TRP B 454 -12.233 4.132 -1.330 1.00 0.52 C ATOM 2563 CZ3 TRP B 454 -13.790 4.614 0.495 1.00 0.53 C ATOM 2564 CH2 TRP B 454 -12.713 3.862 -0.032 1.00 0.51 C ATOM 0 H TRP B 454 -14.819 10.094 -3.695 1.00 0.54 H new ATOM 0 HA TRP B 454 -15.872 7.414 -4.614 1.00 0.60 H new ATOM 0 HB2 TRP B 454 -15.032 8.810 -2.033 1.00 0.53 H new ATOM 0 HB3 TRP B 454 -16.230 7.535 -1.932 1.00 0.53 H new ATOM 0 HD1 TRP B 454 -13.513 7.238 -4.588 1.00 0.58 H new ATOM 0 HE1 TRP B 454 -11.891 5.315 -3.995 1.00 0.58 H new ATOM 0 HE3 TRP B 454 -15.210 6.209 0.132 1.00 0.51 H new ATOM 0 HZ2 TRP B 454 -11.411 3.561 -1.736 1.00 0.52 H new ATOM 0 HZ3 TRP B 454 -14.156 4.405 1.489 1.00 0.53 H new ATOM 0 HH2 TRP B 454 -12.259 3.081 0.560 1.00 0.51 H new ATOM 2575 N GLY B 455 -17.678 9.518 -2.876 1.00 0.72 N ATOM 2576 CA GLY B 455 -19.076 10.015 -2.737 1.00 0.72 C ATOM 2577 C GLY B 455 -19.543 9.760 -1.302 1.00 0.70 C ATOM 2578 O GLY B 455 -18.765 9.377 -0.455 1.00 0.64 O ATOM 0 H GLY B 455 -17.036 9.827 -2.147 1.00 0.72 H new ATOM 0 HA2 GLY B 455 -19.124 11.079 -2.967 1.00 0.72 H new ATOM 0 HA3 GLY B 455 -19.731 9.506 -3.444 1.00 0.72 H new ATOM 2582 N ALA B 456 -20.799 9.960 -1.019 1.00 0.77 N ATOM 2583 CA ALA B 456 -21.291 9.714 0.366 1.00 0.77 C ATOM 2584 C ALA B 456 -21.764 8.266 0.498 1.00 0.82 C ATOM 2585 O ALA B 456 -21.616 7.644 1.532 1.00 0.83 O ATOM 2586 CB ALA B 456 -22.458 10.684 0.557 1.00 0.84 C ATOM 0 H ALA B 456 -21.504 10.282 -1.682 1.00 0.77 H new ATOM 0 HA ALA B 456 -20.516 9.868 1.116 1.00 0.77 H new ATOM 0 HB1 ALA B 456 -22.873 10.561 1.557 1.00 0.84 H new ATOM 0 HB2 ALA B 456 -22.104 11.708 0.434 1.00 0.84 H new ATOM 0 HB3 ALA B 456 -23.229 10.476 -0.184 1.00 0.84 H new ATOM 2592 N ALA B 457 -22.324 7.720 -0.546 1.00 0.90 N ATOM 2593 CA ALA B 457 -22.797 6.308 -0.485 1.00 0.97 C ATOM 2594 C ALA B 457 -21.596 5.362 -0.430 1.00 0.89 C ATOM 2595 O ALA B 457 -21.599 4.377 0.282 1.00 0.91 O ATOM 2596 CB ALA B 457 -23.589 6.097 -1.776 1.00 1.07 C ATOM 0 H ALA B 457 -22.475 8.190 -1.439 1.00 0.90 H new ATOM 0 HA ALA B 457 -23.405 6.109 0.398 1.00 0.97 H new ATOM 0 HB1 ALA B 457 -23.972 5.077 -1.806 1.00 1.07 H new ATOM 0 HB2 ALA B 457 -24.423 6.798 -1.810 1.00 1.07 H new ATOM 0 HB3 ALA B 457 -22.938 6.265 -2.634 1.00 1.07 H new ATOM 2602 N THR B 458 -20.564 5.658 -1.172 1.00 0.84 N ATOM 2603 CA THR B 458 -19.360 4.781 -1.159 1.00 0.77 C ATOM 2604 C THR B 458 -18.632 4.914 0.182 1.00 0.68 C ATOM 2605 O THR B 458 -18.339 3.936 0.840 1.00 0.67 O ATOM 2606 CB THR B 458 -18.482 5.295 -2.300 1.00 0.76 C ATOM 2607 OG1 THR B 458 -19.163 5.123 -3.535 1.00 0.85 O ATOM 2608 CG2 THR B 458 -17.168 4.513 -2.328 1.00 0.72 C ATOM 0 H THR B 458 -20.503 6.470 -1.787 1.00 0.84 H new ATOM 0 HA THR B 458 -19.611 3.728 -1.284 1.00 0.77 H new ATOM 0 HB THR B 458 -18.270 6.353 -2.146 1.00 0.76 H new ATOM 0 HG1 THR B 458 -18.602 5.454 -4.267 1.00 0.85 H new ATOM 0 HG21 THR B 458 -16.543 4.881 -3.142 1.00 0.72 H new ATOM 0 HG22 THR B 458 -16.645 4.646 -1.381 1.00 0.72 H new ATOM 0 HG23 THR B 458 -17.378 3.454 -2.481 1.00 0.72 H new ATOM 2616 N LEU B 459 -18.343 6.120 0.594 1.00 0.64 N ATOM 2617 CA LEU B 459 -17.638 6.318 1.894 1.00 0.57 C ATOM 2618 C LEU B 459 -18.358 5.551 3.006 1.00 0.60 C ATOM 2619 O LEU B 459 -17.766 5.172 3.998 1.00 0.58 O ATOM 2620 CB LEU B 459 -17.701 7.826 2.149 1.00 0.56 C ATOM 2621 CG LEU B 459 -16.281 8.379 2.276 1.00 0.47 C ATOM 2622 CD1 LEU B 459 -16.245 9.820 1.768 1.00 0.48 C ATOM 2623 CD2 LEU B 459 -15.850 8.353 3.740 1.00 0.46 C ATOM 0 H LEU B 459 -18.565 6.976 0.086 1.00 0.64 H new ATOM 0 HA LEU B 459 -16.612 5.951 1.871 1.00 0.57 H new ATOM 0 HB2 LEU B 459 -18.225 8.323 1.332 1.00 0.56 H new ATOM 0 HB3 LEU B 459 -18.265 8.029 3.059 1.00 0.56 H new ATOM 0 HG LEU B 459 -15.603 7.765 1.684 1.00 0.47 H new ATOM 0 HD11 LEU B 459 -15.232 10.213 1.859 1.00 0.48 H new ATOM 0 HD12 LEU B 459 -16.551 9.845 0.722 1.00 0.48 H new ATOM 0 HD13 LEU B 459 -16.926 10.432 2.360 1.00 0.48 H new ATOM 0 HD21 LEU B 459 -14.838 8.747 3.828 1.00 0.46 H new ATOM 0 HD22 LEU B 459 -16.531 8.966 4.331 1.00 0.46 H new ATOM 0 HD23 LEU B 459 -15.873 7.327 4.108 1.00 0.46 H new ATOM 2635 N THR B 460 -19.631 5.316 2.846 1.00 0.68 N ATOM 2636 CA THR B 460 -20.391 4.568 3.887 1.00 0.74 C ATOM 2637 C THR B 460 -20.349 3.067 3.585 1.00 0.76 C ATOM 2638 O THR B 460 -20.029 2.262 4.436 1.00 0.75 O ATOM 2639 CB THR B 460 -21.822 5.101 3.789 1.00 0.83 C ATOM 2640 OG1 THR B 460 -21.839 6.472 4.162 1.00 0.82 O ATOM 2641 CG2 THR B 460 -22.734 4.305 4.723 1.00 0.92 C ATOM 0 H THR B 460 -20.179 5.610 2.038 1.00 0.68 H new ATOM 0 HA THR B 460 -19.977 4.703 4.886 1.00 0.74 H new ATOM 0 HB THR B 460 -22.179 4.996 2.764 1.00 0.83 H new ATOM 0 HG1 THR B 460 -21.767 7.030 3.360 1.00 0.82 H new ATOM 0 HG21 THR B 460 -23.752 4.687 4.650 1.00 0.92 H new ATOM 0 HG22 THR B 460 -22.720 3.254 4.436 1.00 0.92 H new ATOM 0 HG23 THR B 460 -22.381 4.406 5.749 1.00 0.92 H new ATOM 2649 N ALA B 461 -20.666 2.688 2.379 1.00 0.81 N ATOM 2650 CA ALA B 461 -20.640 1.241 2.022 1.00 0.85 C ATOM 2651 C ALA B 461 -19.218 0.694 2.163 1.00 0.79 C ATOM 2652 O ALA B 461 -19.013 -0.439 2.551 1.00 0.83 O ATOM 2653 CB ALA B 461 -21.096 1.185 0.564 1.00 0.92 C ATOM 0 H ALA B 461 -20.942 3.317 1.625 1.00 0.81 H new ATOM 0 HA ALA B 461 -21.279 0.641 2.670 1.00 0.85 H new ATOM 0 HB1 ALA B 461 -21.104 0.149 0.225 1.00 0.92 H new ATOM 0 HB2 ALA B 461 -22.100 1.602 0.480 1.00 0.92 H new ATOM 0 HB3 ALA B 461 -20.410 1.764 -0.054 1.00 0.92 H new ATOM 2659 N LYS B 462 -18.233 1.492 1.852 1.00 0.72 N ATOM 2660 CA LYS B 462 -16.824 1.021 1.969 1.00 0.68 C ATOM 2661 C LYS B 462 -16.462 0.808 3.441 1.00 0.65 C ATOM 2662 O LYS B 462 -15.581 0.039 3.769 1.00 0.66 O ATOM 2663 CB LYS B 462 -15.978 2.144 1.368 1.00 0.66 C ATOM 2664 CG LYS B 462 -15.850 1.938 -0.142 1.00 0.99 C ATOM 2665 CD LYS B 462 -14.818 0.844 -0.422 1.00 0.91 C ATOM 2666 CE LYS B 462 -14.464 0.844 -1.911 1.00 1.31 C ATOM 2667 NZ LYS B 462 -12.990 0.637 -1.954 1.00 1.39 N ATOM 0 H LYS B 462 -18.344 2.451 1.522 1.00 0.72 H new ATOM 0 HA LYS B 462 -16.662 0.072 1.459 1.00 0.68 H new ATOM 0 HB2 LYS B 462 -16.438 3.110 1.576 1.00 0.66 H new ATOM 0 HB3 LYS B 462 -14.990 2.155 1.829 1.00 0.66 H new ATOM 0 HG2 LYS B 462 -16.815 1.659 -0.565 1.00 0.99 H new ATOM 0 HG3 LYS B 462 -15.548 2.869 -0.622 1.00 0.99 H new ATOM 0 HD2 LYS B 462 -13.922 1.013 0.175 1.00 0.91 H new ATOM 0 HD3 LYS B 462 -15.216 -0.129 -0.132 1.00 0.91 H new ATOM 0 HE2 LYS B 462 -14.990 0.051 -2.442 1.00 1.31 H new ATOM 0 HE3 LYS B 462 -14.745 1.785 -2.384 1.00 1.31 H new ATOM 0 HZ1 LYS B 462 -12.744 0.062 -2.785 1.00 1.39 H new ATOM 0 HZ2 LYS B 462 -12.512 1.558 -2.017 1.00 1.39 H new ATOM 0 HZ3 LYS B 462 -12.683 0.146 -1.090 1.00 1.39 H new ATOM 2681 N LEU B 463 -17.137 1.484 4.330 1.00 0.65 N ATOM 2682 CA LEU B 463 -16.832 1.322 5.780 1.00 0.65 C ATOM 2683 C LEU B 463 -17.208 -0.088 6.248 1.00 0.68 C ATOM 2684 O LEU B 463 -16.484 -0.719 6.991 1.00 0.70 O ATOM 2685 CB LEU B 463 -17.695 2.369 6.484 1.00 0.68 C ATOM 2686 CG LEU B 463 -17.128 2.646 7.876 1.00 0.81 C ATOM 2687 CD1 LEU B 463 -17.359 4.114 8.238 1.00 0.99 C ATOM 2688 CD2 LEU B 463 -17.833 1.752 8.899 1.00 0.99 C ATOM 0 H LEU B 463 -17.887 2.142 4.115 1.00 0.65 H new ATOM 0 HA LEU B 463 -15.772 1.454 5.996 1.00 0.65 H new ATOM 0 HB2 LEU B 463 -17.718 3.289 5.900 1.00 0.68 H new ATOM 0 HB3 LEU B 463 -18.723 2.015 6.562 1.00 0.68 H new ATOM 0 HG LEU B 463 -16.059 2.434 7.882 1.00 0.81 H new ATOM 0 HD11 LEU B 463 -16.955 4.312 9.231 1.00 0.99 H new ATOM 0 HD12 LEU B 463 -16.859 4.752 7.509 1.00 0.99 H new ATOM 0 HD13 LEU B 463 -18.428 4.326 8.233 1.00 0.99 H new ATOM 0 HD21 LEU B 463 -17.430 1.948 9.893 1.00 0.99 H new ATOM 0 HD22 LEU B 463 -18.902 1.965 8.893 1.00 0.99 H new ATOM 0 HD23 LEU B 463 -17.670 0.706 8.641 1.00 0.99 H new ATOM 2700 N LYS B 464 -18.336 -0.586 5.819 1.00 0.72 N ATOM 2701 CA LYS B 464 -18.756 -1.954 6.243 1.00 0.77 C ATOM 2702 C LYS B 464 -18.228 -3.002 5.259 1.00 0.76 C ATOM 2703 O LYS B 464 -18.130 -4.171 5.577 1.00 0.82 O ATOM 2704 CB LYS B 464 -20.285 -1.921 6.222 1.00 0.85 C ATOM 2705 CG LYS B 464 -20.789 -0.923 7.265 1.00 1.20 C ATOM 2706 CD LYS B 464 -21.877 -1.580 8.117 1.00 1.62 C ATOM 2707 CE LYS B 464 -23.254 -1.158 7.600 1.00 2.25 C ATOM 2708 NZ LYS B 464 -23.746 -2.325 6.818 1.00 2.66 N ATOM 0 H LYS B 464 -18.984 -0.106 5.194 1.00 0.72 H new ATOM 0 HA LYS B 464 -18.366 -2.219 7.226 1.00 0.77 H new ATOM 0 HB2 LYS B 464 -20.639 -1.637 5.231 1.00 0.85 H new ATOM 0 HB3 LYS B 464 -20.683 -2.914 6.431 1.00 0.85 H new ATOM 0 HG2 LYS B 464 -19.965 -0.595 7.898 1.00 1.20 H new ATOM 0 HG3 LYS B 464 -21.185 -0.035 6.772 1.00 1.20 H new ATOM 0 HD2 LYS B 464 -21.779 -2.665 8.078 1.00 1.62 H new ATOM 0 HD3 LYS B 464 -21.763 -1.287 9.161 1.00 1.62 H new ATOM 0 HE2 LYS B 464 -23.929 -0.921 8.423 1.00 2.25 H new ATOM 0 HE3 LYS B 464 -23.185 -0.266 6.977 1.00 2.25 H new ATOM 0 HZ1 LYS B 464 -24.687 -2.111 6.431 1.00 2.66 H new ATOM 0 HZ2 LYS B 464 -23.087 -2.523 6.038 1.00 2.66 H new ATOM 0 HZ3 LYS B 464 -23.808 -3.157 7.438 1.00 2.66 H new ATOM 2722 N GLU B 465 -17.892 -2.596 4.066 1.00 0.73 N ATOM 2723 CA GLU B 465 -17.376 -3.571 3.063 1.00 0.76 C ATOM 2724 C GLU B 465 -16.085 -4.226 3.564 1.00 0.69 C ATOM 2725 O GLU B 465 -15.850 -5.398 3.348 1.00 0.85 O ATOM 2726 CB GLU B 465 -17.100 -2.738 1.812 1.00 0.79 C ATOM 2727 CG GLU B 465 -18.144 -3.064 0.741 1.00 1.12 C ATOM 2728 CD GLU B 465 -17.466 -3.132 -0.629 1.00 1.42 C ATOM 2729 OE1 GLU B 465 -16.431 -3.769 -0.725 1.00 1.94 O ATOM 2730 OE2 GLU B 465 -17.994 -2.544 -1.558 1.00 2.03 O ATOM 0 H GLU B 465 -17.952 -1.631 3.742 1.00 0.73 H new ATOM 0 HA GLU B 465 -18.084 -4.378 2.874 1.00 0.76 H new ATOM 0 HB2 GLU B 465 -17.132 -1.676 2.055 1.00 0.79 H new ATOM 0 HB3 GLU B 465 -16.099 -2.949 1.435 1.00 0.79 H new ATOM 0 HG2 GLU B 465 -18.628 -4.014 0.967 1.00 1.12 H new ATOM 0 HG3 GLU B 465 -18.924 -2.303 0.735 1.00 1.12 H new ATOM 2737 N LEU B 466 -15.245 -3.479 4.225 1.00 0.56 N ATOM 2738 CA LEU B 466 -13.968 -4.060 4.732 1.00 0.59 C ATOM 2739 C LEU B 466 -14.248 -5.101 5.821 1.00 0.70 C ATOM 2740 O LEU B 466 -13.438 -5.966 6.088 1.00 0.81 O ATOM 2741 CB LEU B 466 -13.196 -2.874 5.310 1.00 0.56 C ATOM 2742 CG LEU B 466 -12.588 -2.053 4.171 1.00 0.54 C ATOM 2743 CD1 LEU B 466 -11.988 -0.764 4.734 1.00 0.62 C ATOM 2744 CD2 LEU B 466 -11.489 -2.866 3.485 1.00 0.52 C ATOM 0 H LEU B 466 -15.387 -2.491 4.437 1.00 0.56 H new ATOM 0 HA LEU B 466 -13.409 -4.569 3.947 1.00 0.59 H new ATOM 0 HB2 LEU B 466 -13.861 -2.250 5.907 1.00 0.56 H new ATOM 0 HB3 LEU B 466 -12.410 -3.229 5.976 1.00 0.56 H new ATOM 0 HG LEU B 466 -13.365 -1.808 3.447 1.00 0.54 H new ATOM 0 HD11 LEU B 466 -11.555 -0.179 3.922 1.00 0.62 H new ATOM 0 HD12 LEU B 466 -12.769 -0.182 5.223 1.00 0.62 H new ATOM 0 HD13 LEU B 466 -11.211 -1.010 5.458 1.00 0.62 H new ATOM 0 HD21 LEU B 466 -11.056 -2.281 2.674 1.00 0.52 H new ATOM 0 HD22 LEU B 466 -10.713 -3.112 4.209 1.00 0.52 H new ATOM 0 HD23 LEU B 466 -11.914 -3.785 3.082 1.00 0.52 H new ATOM 2756 N GLY B 467 -15.387 -5.024 6.454 1.00 0.77 N ATOM 2757 CA GLY B 467 -15.711 -6.011 7.525 1.00 0.97 C ATOM 2758 C GLY B 467 -16.730 -7.023 7.000 1.00 1.08 C ATOM 2759 O GLY B 467 -16.747 -8.167 7.406 1.00 1.38 O ATOM 0 H GLY B 467 -16.106 -4.322 6.277 1.00 0.77 H new ATOM 0 HA2 GLY B 467 -14.805 -6.525 7.846 1.00 0.97 H new ATOM 0 HA3 GLY B 467 -16.111 -5.496 8.398 1.00 0.97 H new