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: B 419 GLN : amide:sc= 0.378 K(o=0.64,f=-3.1!) USER MOD Set 1.2: B 420 ASN : amide:sc= 0.267 K(o=0.64,f=0.11) USER MOD Set 2.1: A 419 GLN : amide:sc= 0.379 K(o=0.65,f=-3.1!) USER MOD Set 2.2: A 420 ASN : amide:sc= 0.266 K(o=0.65,f=0.11) USER MOD Single : A 404 THR OG1 : rot 180:sc= 0 USER MOD Single : A 408 GLN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 416 SER OG : rot 180:sc= 0 USER MOD Single : A 418 HIS : no HD1:sc= -3.1! C(o=-3.1!,f=-5.4!) USER MOD Single : A 423 SER OG : rot 180:sc= 0 USER MOD Single : A 426 GLN : amide:sc= -0.596 X(o=-0.6,f=-0.5) USER MOD Single : A 432 THR OG1 : rot 180:sc= 0.0123 USER MOD Single : A 435 THR OG1 : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot 102:sc= 1.19 USER MOD Single : A 440 HIS :FLIP no HD1:sc= -0.493 F(o=-2.2!,f=-0.49) USER MOD Single : A 441 THR OG1 : rot 71:sc= 0.49 USER MOD Single : A 442 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 444 HIS : no HD1:sc= -0.788 X(o=-0.79,f=-0.85) USER MOD Single : A 445 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.0637) USER MOD Single : A 446 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 458 THR OG1 : rot 131:sc= 0.501 USER MOD Single : A 460 THR OG1 : rot 96:sc= 1.19 USER MOD Single : A 462 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 464 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 404 THR OG1 : rot 180:sc=0.000305 USER MOD Single : B 408 GLN : amide:sc= -0.073 X(o=-0.073,f=0) USER MOD Single : B 416 SER OG : rot 180:sc= 0 USER MOD Single : B 418 HIS : no HD1:sc= -3.34 K(o=-3.3,f=-5.5!) USER MOD Single : B 423 SER OG : rot 180:sc= 0 USER MOD Single : B 426 GLN : amide:sc= -0.53 X(o=-0.53,f=-0.49) USER MOD Single : B 432 THR OG1 : rot 180:sc= 0.0224 USER MOD Single : B 435 THR OG1 : rot 180:sc= 0 USER MOD Single : B 436 THR OG1 : rot 102:sc= 1.08 USER MOD Single : B 440 HIS :FLIP no HD1:sc= -0.462 F(o=-2.3!,f=-0.46) USER MOD Single : B 441 THR OG1 : rot 71:sc= 0.457 USER MOD Single : B 442 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 444 HIS : no HD1:sc= -0.789 X(o=-0.79,f=-0.83) USER MOD Single : B 445 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.0604) USER MOD Single : B 446 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 458 THR OG1 : rot 130:sc= 0.533 USER MOD Single : B 460 THR OG1 : rot 94:sc= 1.17 USER MOD Single : B 462 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 464 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 325 N TRP A 402 5.991 2.714 1.808 1.00 0.95 N ATOM 326 CA TRP A 402 4.602 2.802 1.267 1.00 0.86 C ATOM 327 C TRP A 402 3.756 3.815 2.044 1.00 0.79 C ATOM 328 O TRP A 402 3.411 4.853 1.530 1.00 0.71 O ATOM 329 CB TRP A 402 4.030 1.400 1.437 1.00 0.96 C ATOM 330 CG TRP A 402 3.343 0.997 0.178 1.00 0.84 C ATOM 331 CD1 TRP A 402 3.957 0.450 -0.894 1.00 0.94 C ATOM 332 CD2 TRP A 402 1.932 1.104 -0.161 1.00 0.76 C ATOM 333 NE1 TRP A 402 3.013 0.207 -1.878 1.00 1.00 N ATOM 334 CE2 TRP A 402 1.747 0.593 -1.477 1.00 0.83 C ATOM 335 CE3 TRP A 402 0.798 1.589 0.539 1.00 0.78 C ATOM 336 CZ2 TRP A 402 0.477 0.564 -2.082 1.00 0.83 C ATOM 337 CZ3 TRP A 402 -0.482 1.563 -0.064 1.00 0.72 C ATOM 338 CH2 TRP A 402 -0.642 1.052 -1.373 1.00 0.69 C ATOM 0 HA TRP A 402 4.599 3.138 0.230 1.00 0.86 H new ATOM 0 HB2 TRP A 402 4.827 0.695 1.673 1.00 0.96 H new ATOM 0 HB3 TRP A 402 3.329 1.379 2.271 1.00 0.96 H new ATOM 0 HD1 TRP A 402 5.013 0.237 -0.971 1.00 0.94 H new ATOM 0 HE1 TRP A 402 3.225 -0.206 -2.786 1.00 1.00 H new ATOM 0 HE3 TRP A 402 0.912 1.981 1.539 1.00 0.78 H new ATOM 0 HZ2 TRP A 402 0.359 0.171 -3.081 1.00 0.83 H new ATOM 0 HZ3 TRP A 402 -1.340 1.935 0.477 1.00 0.72 H new ATOM 0 HH2 TRP A 402 -1.620 1.035 -1.830 1.00 0.69 H new ATOM 349 N ALA A 403 3.412 3.522 3.271 1.00 0.85 N ATOM 350 CA ALA A 403 2.578 4.481 4.060 1.00 0.85 C ATOM 351 C ALA A 403 3.161 5.894 3.971 1.00 0.80 C ATOM 352 O ALA A 403 2.456 6.849 3.712 1.00 0.76 O ATOM 353 CB ALA A 403 2.630 3.966 5.499 1.00 0.99 C ATOM 0 H ALA A 403 3.670 2.665 3.760 1.00 0.85 H new ATOM 0 HA ALA A 403 1.556 4.539 3.686 1.00 0.85 H new ATOM 0 HB1 ALA A 403 2.039 4.620 6.141 1.00 0.99 H new ATOM 0 HB2 ALA A 403 2.224 2.955 5.539 1.00 0.99 H new ATOM 0 HB3 ALA A 403 3.664 3.956 5.845 1.00 0.99 H new ATOM 359 N THR A 404 4.442 6.037 4.169 1.00 0.82 N ATOM 360 CA THR A 404 5.053 7.392 4.077 1.00 0.81 C ATOM 361 C THR A 404 4.845 7.946 2.668 1.00 0.70 C ATOM 362 O THR A 404 4.613 9.123 2.478 1.00 0.68 O ATOM 363 CB THR A 404 6.541 7.182 4.364 1.00 0.89 C ATOM 364 OG1 THR A 404 6.691 6.493 5.598 1.00 1.07 O ATOM 365 CG2 THR A 404 7.241 8.539 4.448 1.00 0.89 C ATOM 0 H THR A 404 5.089 5.279 4.389 1.00 0.82 H new ATOM 0 HA THR A 404 4.611 8.103 4.775 1.00 0.81 H new ATOM 0 HB THR A 404 6.987 6.594 3.562 1.00 0.89 H new ATOM 0 HG1 THR A 404 7.644 6.356 5.783 1.00 1.07 H new ATOM 0 HG21 THR A 404 8.301 8.389 4.653 1.00 0.89 H new ATOM 0 HG22 THR A 404 7.125 9.067 3.502 1.00 0.89 H new ATOM 0 HG23 THR A 404 6.797 9.129 5.250 1.00 0.89 H new ATOM 373 N LEU A 405 4.914 7.097 1.678 1.00 0.67 N ATOM 374 CA LEU A 405 4.705 7.565 0.279 1.00 0.61 C ATOM 375 C LEU A 405 3.214 7.827 0.045 1.00 0.53 C ATOM 376 O LEU A 405 2.835 8.570 -0.836 1.00 0.52 O ATOM 377 CB LEU A 405 5.204 6.408 -0.601 1.00 0.67 C ATOM 378 CG LEU A 405 5.209 6.806 -2.088 1.00 0.65 C ATOM 379 CD1 LEU A 405 3.776 6.820 -2.624 1.00 0.57 C ATOM 380 CD2 LEU A 405 5.841 8.194 -2.269 1.00 0.64 C ATOM 0 H LEU A 405 5.106 6.100 1.778 1.00 0.67 H new ATOM 0 HA LEU A 405 5.232 8.493 0.058 1.00 0.61 H new ATOM 0 HB2 LEU A 405 6.210 6.121 -0.295 1.00 0.67 H new ATOM 0 HB3 LEU A 405 4.566 5.536 -0.457 1.00 0.67 H new ATOM 0 HG LEU A 405 5.798 6.076 -2.643 1.00 0.65 H new ATOM 0 HD11 LEU A 405 3.784 7.102 -3.677 1.00 0.57 H new ATOM 0 HD12 LEU A 405 3.338 5.828 -2.518 1.00 0.57 H new ATOM 0 HD13 LEU A 405 3.184 7.540 -2.060 1.00 0.57 H new ATOM 0 HD21 LEU A 405 5.837 8.461 -3.326 1.00 0.64 H new ATOM 0 HD22 LEU A 405 5.268 8.931 -1.707 1.00 0.64 H new ATOM 0 HD23 LEU A 405 6.868 8.177 -1.903 1.00 0.64 H new ATOM 392 N LEU A 406 2.367 7.221 0.832 1.00 0.53 N ATOM 393 CA LEU A 406 0.902 7.423 0.666 1.00 0.50 C ATOM 394 C LEU A 406 0.464 8.695 1.396 1.00 0.49 C ATOM 395 O LEU A 406 -0.342 9.458 0.901 1.00 0.45 O ATOM 396 CB LEU A 406 0.262 6.183 1.297 1.00 0.58 C ATOM 397 CG LEU A 406 -1.068 5.882 0.598 1.00 0.60 C ATOM 398 CD1 LEU A 406 -0.815 5.602 -0.885 1.00 0.94 C ATOM 399 CD2 LEU A 406 -1.716 4.653 1.237 1.00 1.02 C ATOM 0 H LEU A 406 2.631 6.590 1.589 1.00 0.53 H new ATOM 0 HA LEU A 406 0.610 7.542 -0.377 1.00 0.50 H new ATOM 0 HB2 LEU A 406 0.933 5.329 1.208 1.00 0.58 H new ATOM 0 HB3 LEU A 406 0.096 6.348 2.362 1.00 0.58 H new ATOM 0 HG LEU A 406 -1.731 6.741 0.701 1.00 0.60 H new ATOM 0 HD11 LEU A 406 -1.761 5.388 -1.381 1.00 0.94 H new ATOM 0 HD12 LEU A 406 -0.352 6.475 -1.346 1.00 0.94 H new ATOM 0 HD13 LEU A 406 -0.151 4.744 -0.985 1.00 0.94 H new ATOM 0 HD21 LEU A 406 -2.662 4.440 0.739 1.00 1.02 H new ATOM 0 HD22 LEU A 406 -1.051 3.796 1.134 1.00 1.02 H new ATOM 0 HD23 LEU A 406 -1.898 4.846 2.294 1.00 1.02 H new ATOM 411 N ALA A 407 0.992 8.934 2.565 1.00 0.56 N ATOM 412 CA ALA A 407 0.608 10.163 3.316 1.00 0.59 C ATOM 413 C ALA A 407 1.149 11.398 2.594 1.00 0.57 C ATOM 414 O ALA A 407 0.512 12.432 2.548 1.00 0.61 O ATOM 415 CB ALA A 407 1.260 10.010 4.691 1.00 0.70 C ATOM 0 H ALA A 407 1.671 8.333 3.032 1.00 0.56 H new ATOM 0 HA ALA A 407 -0.472 10.285 3.396 1.00 0.59 H new ATOM 0 HB1 ALA A 407 1.023 10.879 5.305 1.00 0.70 H new ATOM 0 HB2 ALA A 407 0.882 9.110 5.175 1.00 0.70 H new ATOM 0 HB3 ALA A 407 2.341 9.932 4.574 1.00 0.70 H new ATOM 421 N GLN A 408 2.320 11.296 2.025 1.00 0.57 N ATOM 422 CA GLN A 408 2.901 12.460 1.300 1.00 0.57 C ATOM 423 C GLN A 408 2.277 12.567 -0.095 1.00 0.50 C ATOM 424 O GLN A 408 2.010 13.646 -0.587 1.00 0.50 O ATOM 425 CB GLN A 408 4.396 12.162 1.204 1.00 0.62 C ATOM 426 CG GLN A 408 5.050 12.411 2.564 1.00 0.75 C ATOM 427 CD GLN A 408 6.031 13.580 2.455 1.00 0.78 C ATOM 428 OE1 GLN A 408 5.926 14.547 3.183 1.00 1.29 O ATOM 429 NE2 GLN A 408 6.988 13.531 1.569 1.00 1.46 N ATOM 0 H GLN A 408 2.899 10.456 2.032 1.00 0.57 H new ATOM 0 HA GLN A 408 2.712 13.406 1.808 1.00 0.57 H new ATOM 0 HB2 GLN A 408 4.553 11.128 0.896 1.00 0.62 H new ATOM 0 HB3 GLN A 408 4.856 12.794 0.445 1.00 0.62 H new ATOM 0 HG2 GLN A 408 4.287 12.632 3.311 1.00 0.75 H new ATOM 0 HG3 GLN A 408 5.573 11.514 2.897 1.00 0.75 H new ATOM 0 HE21 GLN A 408 7.076 12.719 0.958 1.00 1.46 H new ATOM 0 HE22 GLN A 408 7.648 14.305 1.488 1.00 1.46 H new ATOM 438 N TRP A 409 2.035 11.452 -0.731 1.00 0.46 N ATOM 439 CA TRP A 409 1.417 11.481 -2.089 1.00 0.43 C ATOM 440 C TRP A 409 0.011 12.084 -2.001 1.00 0.40 C ATOM 441 O TRP A 409 -0.278 13.106 -2.590 1.00 0.41 O ATOM 442 CB TRP A 409 1.369 10.006 -2.520 1.00 0.43 C ATOM 443 CG TRP A 409 0.457 9.825 -3.695 1.00 0.42 C ATOM 444 CD1 TRP A 409 0.688 10.294 -4.944 1.00 0.50 C ATOM 445 CD2 TRP A 409 -0.821 9.130 -3.745 1.00 0.40 C ATOM 446 NE1 TRP A 409 -0.369 9.932 -5.762 1.00 0.53 N ATOM 447 CE2 TRP A 409 -1.327 9.213 -5.074 1.00 0.47 C ATOM 448 CE3 TRP A 409 -1.591 8.437 -2.774 1.00 0.39 C ATOM 449 CZ2 TRP A 409 -2.558 8.630 -5.430 1.00 0.50 C ATOM 450 CZ3 TRP A 409 -2.830 7.848 -3.127 1.00 0.43 C ATOM 451 CH2 TRP A 409 -3.311 7.944 -4.454 1.00 0.48 C ATOM 0 H TRP A 409 2.239 10.521 -0.368 1.00 0.46 H new ATOM 0 HA TRP A 409 1.972 12.089 -2.803 1.00 0.43 H new ATOM 0 HB2 TRP A 409 2.372 9.664 -2.776 1.00 0.43 H new ATOM 0 HB3 TRP A 409 1.025 9.390 -1.689 1.00 0.43 H new ATOM 0 HD1 TRP A 409 1.556 10.859 -5.252 1.00 0.50 H new ATOM 0 HE1 TRP A 409 -0.432 10.168 -6.752 1.00 0.53 H new ATOM 0 HE3 TRP A 409 -1.230 8.358 -1.759 1.00 0.39 H new ATOM 0 HZ2 TRP A 409 -2.923 8.707 -6.443 1.00 0.50 H new ATOM 0 HZ3 TRP A 409 -3.409 7.324 -2.381 1.00 0.43 H new ATOM 0 HH2 TRP A 409 -4.255 7.492 -4.720 1.00 0.48 H new ATOM 462 N ALA A 410 -0.865 11.454 -1.266 1.00 0.42 N ATOM 463 CA ALA A 410 -2.251 11.986 -1.136 1.00 0.44 C ATOM 464 C ALA A 410 -2.212 13.449 -0.687 1.00 0.45 C ATOM 465 O ALA A 410 -3.117 14.215 -0.955 1.00 0.47 O ATOM 466 CB ALA A 410 -2.908 11.110 -0.069 1.00 0.51 C ATOM 0 H ALA A 410 -0.680 10.594 -0.750 1.00 0.42 H new ATOM 0 HA ALA A 410 -2.799 11.959 -2.078 1.00 0.44 H new ATOM 0 HB1 ALA A 410 -3.936 11.437 0.088 1.00 0.51 H new ATOM 0 HB2 ALA A 410 -2.904 10.071 -0.398 1.00 0.51 H new ATOM 0 HB3 ALA A 410 -2.353 11.197 0.865 1.00 0.51 H new ATOM 472 N ASP A 411 -1.169 13.843 -0.010 1.00 0.48 N ATOM 473 CA ASP A 411 -1.070 15.257 0.453 1.00 0.53 C ATOM 474 C ASP A 411 -0.624 16.158 -0.702 1.00 0.53 C ATOM 475 O ASP A 411 -1.183 17.211 -0.933 1.00 0.58 O ATOM 476 CB ASP A 411 -0.014 15.242 1.558 1.00 0.60 C ATOM 477 CG ASP A 411 0.170 16.657 2.108 1.00 1.03 C ATOM 478 OD1 ASP A 411 -0.734 17.459 1.939 1.00 1.51 O ATOM 479 OD2 ASP A 411 1.212 16.916 2.687 1.00 1.78 O ATOM 0 H ASP A 411 -0.381 13.247 0.243 1.00 0.48 H new ATOM 0 HA ASP A 411 -2.025 15.643 0.810 1.00 0.53 H new ATOM 0 HB2 ASP A 411 -0.319 14.567 2.357 1.00 0.60 H new ATOM 0 HB3 ASP A 411 0.932 14.867 1.167 1.00 0.60 H new ATOM 484 N ARG A 412 0.378 15.751 -1.433 1.00 0.51 N ATOM 485 CA ARG A 412 0.856 16.583 -2.574 1.00 0.56 C ATOM 486 C ARG A 412 -0.278 16.792 -3.578 1.00 0.55 C ATOM 487 O ARG A 412 -0.431 17.855 -4.147 1.00 0.63 O ATOM 488 CB ARG A 412 1.994 15.778 -3.204 1.00 0.58 C ATOM 489 CG ARG A 412 2.664 16.609 -4.301 1.00 0.96 C ATOM 490 CD ARG A 412 2.319 16.019 -5.672 1.00 1.50 C ATOM 491 NE ARG A 412 2.596 17.115 -6.642 1.00 1.90 N ATOM 492 CZ ARG A 412 3.615 17.025 -7.453 1.00 2.41 C ATOM 493 NH1 ARG A 412 4.823 17.246 -7.009 1.00 2.89 N ATOM 494 NH2 ARG A 412 3.427 16.717 -8.707 1.00 3.02 N ATOM 0 H ARG A 412 0.886 14.878 -1.289 1.00 0.51 H new ATOM 0 HA ARG A 412 1.188 17.572 -2.258 1.00 0.56 H new ATOM 0 HB2 ARG A 412 2.725 15.505 -2.443 1.00 0.58 H new ATOM 0 HB3 ARG A 412 1.607 14.849 -3.622 1.00 0.58 H new ATOM 0 HG2 ARG A 412 2.328 17.644 -4.244 1.00 0.96 H new ATOM 0 HG3 ARG A 412 3.745 16.616 -4.158 1.00 0.96 H new ATOM 0 HD2 ARG A 412 2.925 15.139 -5.887 1.00 1.50 H new ATOM 0 HD3 ARG A 412 1.276 15.707 -5.716 1.00 1.50 H new ATOM 0 HE ARG A 412 1.990 17.935 -6.673 1.00 1.90 H new ATOM 0 HH11 ARG A 412 4.970 17.489 -6.029 1.00 2.89 H new ATOM 0 HH12 ARG A 412 5.620 17.176 -7.642 1.00 2.89 H new ATOM 0 HH21 ARG A 412 2.483 16.546 -9.054 1.00 3.02 H new ATOM 0 HH22 ARG A 412 4.224 16.647 -9.340 1.00 3.02 H new ATOM 508 N ALA A 413 -1.075 15.786 -3.795 1.00 0.50 N ATOM 509 CA ALA A 413 -2.204 15.919 -4.758 1.00 0.53 C ATOM 510 C ALA A 413 -3.290 16.823 -4.167 1.00 0.57 C ATOM 511 O ALA A 413 -3.869 17.643 -4.851 1.00 0.66 O ATOM 512 CB ALA A 413 -2.732 14.498 -4.950 1.00 0.53 C ATOM 0 H ALA A 413 -0.994 14.874 -3.346 1.00 0.50 H new ATOM 0 HA ALA A 413 -1.895 16.366 -5.703 1.00 0.53 H new ATOM 0 HB1 ALA A 413 -3.568 14.512 -5.649 1.00 0.53 H new ATOM 0 HB2 ALA A 413 -1.938 13.865 -5.347 1.00 0.53 H new ATOM 0 HB3 ALA A 413 -3.067 14.102 -3.991 1.00 0.53 H new ATOM 518 N LEU A 414 -3.567 16.680 -2.900 1.00 0.54 N ATOM 519 CA LEU A 414 -4.612 17.532 -2.263 1.00 0.61 C ATOM 520 C LEU A 414 -4.205 19.006 -2.342 1.00 0.71 C ATOM 521 O LEU A 414 -5.013 19.871 -2.615 1.00 0.82 O ATOM 522 CB LEU A 414 -4.671 17.070 -0.807 1.00 0.63 C ATOM 523 CG LEU A 414 -6.071 16.541 -0.494 1.00 0.71 C ATOM 524 CD1 LEU A 414 -6.301 15.228 -1.245 1.00 1.11 C ATOM 525 CD2 LEU A 414 -6.193 16.294 1.011 1.00 1.04 C ATOM 0 H LEU A 414 -3.115 16.010 -2.278 1.00 0.54 H new ATOM 0 HA LEU A 414 -5.579 17.439 -2.757 1.00 0.61 H new ATOM 0 HB2 LEU A 414 -3.929 16.291 -0.632 1.00 0.63 H new ATOM 0 HB3 LEU A 414 -4.427 17.898 -0.142 1.00 0.63 H new ATOM 0 HG LEU A 414 -6.816 17.273 -0.807 1.00 0.71 H new ATOM 0 HD11 LEU A 414 -7.299 14.851 -1.022 1.00 1.11 H new ATOM 0 HD12 LEU A 414 -6.210 15.401 -2.317 1.00 1.11 H new ATOM 0 HD13 LEU A 414 -5.558 14.495 -0.932 1.00 1.11 H new ATOM 0 HD21 LEU A 414 -7.190 15.917 1.238 1.00 1.04 H new ATOM 0 HD22 LEU A 414 -5.448 15.561 1.321 1.00 1.04 H new ATOM 0 HD23 LEU A 414 -6.028 17.228 1.548 1.00 1.04 H new ATOM 537 N ARG A 415 -2.955 19.298 -2.106 1.00 0.73 N ATOM 538 CA ARG A 415 -2.495 20.715 -2.167 1.00 0.86 C ATOM 539 C ARG A 415 -2.539 21.222 -3.612 1.00 0.92 C ATOM 540 O ARG A 415 -2.567 22.411 -3.861 1.00 1.26 O ATOM 541 CB ARG A 415 -1.056 20.686 -1.652 1.00 1.01 C ATOM 542 CG ARG A 415 -1.056 20.366 -0.156 1.00 1.40 C ATOM 543 CD ARG A 415 -0.491 21.556 0.622 1.00 1.61 C ATOM 544 NE ARG A 415 -1.250 21.573 1.904 1.00 2.27 N ATOM 545 CZ ARG A 415 -2.486 21.989 1.924 1.00 2.92 C ATOM 546 NH1 ARG A 415 -2.749 23.261 1.808 1.00 3.70 N ATOM 547 NH2 ARG A 415 -3.461 21.132 2.062 1.00 3.32 N ATOM 0 H ARG A 415 -2.232 18.617 -1.874 1.00 0.73 H new ATOM 0 HA ARG A 415 -3.125 21.381 -1.577 1.00 0.86 H new ATOM 0 HB2 ARG A 415 -0.479 19.937 -2.195 1.00 1.01 H new ATOM 0 HB3 ARG A 415 -0.576 21.648 -1.829 1.00 1.01 H new ATOM 0 HG2 ARG A 415 -2.070 20.147 0.180 1.00 1.40 H new ATOM 0 HG3 ARG A 415 -0.457 19.476 0.036 1.00 1.40 H new ATOM 0 HD2 ARG A 415 0.579 21.441 0.798 1.00 1.61 H new ATOM 0 HD3 ARG A 415 -0.625 22.487 0.071 1.00 1.61 H new ATOM 0 HE ARG A 415 -0.803 21.259 2.766 1.00 2.27 H new ATOM 0 HH11 ARG A 415 -1.988 23.932 1.701 1.00 3.70 H new ATOM 0 HH12 ARG A 415 -3.716 23.585 1.824 1.00 3.70 H new ATOM 0 HH21 ARG A 415 -3.256 20.137 2.154 1.00 3.32 H new ATOM 0 HH22 ARG A 415 -4.428 21.457 2.078 1.00 3.32 H new ATOM 561 N SER A 416 -2.546 20.330 -4.565 1.00 0.90 N ATOM 562 CA SER A 416 -2.590 20.763 -5.991 1.00 0.99 C ATOM 563 C SER A 416 -3.741 20.065 -6.719 1.00 0.99 C ATOM 564 O SER A 416 -3.554 19.434 -7.739 1.00 1.63 O ATOM 565 CB SER A 416 -1.245 20.335 -6.577 1.00 1.20 C ATOM 566 OG SER A 416 -0.596 21.467 -7.139 1.00 1.69 O ATOM 0 H SER A 416 -2.523 19.321 -4.418 1.00 0.90 H new ATOM 0 HA SER A 416 -2.755 21.836 -6.093 1.00 0.99 H new ATOM 0 HB2 SER A 416 -0.621 19.892 -5.800 1.00 1.20 H new ATOM 0 HB3 SER A 416 -1.394 19.571 -7.340 1.00 1.20 H new ATOM 0 HG SER A 416 0.268 21.196 -7.514 1.00 1.69 H new ATOM 572 N GLY A 417 -4.934 20.174 -6.200 1.00 1.06 N ATOM 573 CA GLY A 417 -6.097 19.517 -6.859 1.00 1.06 C ATOM 574 C GLY A 417 -5.846 18.011 -6.954 1.00 0.99 C ATOM 575 O GLY A 417 -5.369 17.514 -7.956 1.00 1.31 O ATOM 0 H GLY A 417 -5.153 20.690 -5.348 1.00 1.06 H new ATOM 0 HA2 GLY A 417 -7.007 19.710 -6.291 1.00 1.06 H new ATOM 0 HA3 GLY A 417 -6.248 19.935 -7.854 1.00 1.06 H new ATOM 579 N HIS A 418 -6.163 17.280 -5.922 1.00 0.78 N ATOM 580 CA HIS A 418 -5.941 15.807 -5.956 1.00 0.87 C ATOM 581 C HIS A 418 -6.752 15.176 -7.090 1.00 0.89 C ATOM 582 O HIS A 418 -7.346 15.861 -7.899 1.00 1.17 O ATOM 583 CB HIS A 418 -6.427 15.296 -4.597 1.00 1.01 C ATOM 584 CG HIS A 418 -7.848 15.736 -4.366 1.00 1.68 C ATOM 585 ND1 HIS A 418 -8.164 16.823 -3.567 1.00 2.18 N ATOM 586 CD2 HIS A 418 -9.046 15.241 -4.818 1.00 2.31 C ATOM 587 CE1 HIS A 418 -9.504 16.946 -3.563 1.00 2.86 C ATOM 588 NE2 HIS A 418 -10.090 16.008 -4.310 1.00 2.97 N ATOM 0 H HIS A 418 -6.566 17.639 -5.056 1.00 0.78 H new ATOM 0 HA HIS A 418 -4.896 15.553 -6.134 1.00 0.87 H new ATOM 0 HB2 HIS A 418 -6.363 14.208 -4.563 1.00 1.01 H new ATOM 0 HB3 HIS A 418 -5.785 15.678 -3.804 1.00 1.01 H new ATOM 0 HD2 HIS A 418 -9.161 14.387 -5.469 1.00 2.31 H new ATOM 0 HE1 HIS A 418 -10.040 17.711 -3.021 1.00 2.86 H new ATOM 0 HE2 HIS A 418 -11.089 15.881 -4.473 1.00 2.97 H new ATOM 596 N GLN A 419 -6.780 13.874 -7.156 1.00 1.08 N ATOM 597 CA GLN A 419 -7.548 13.195 -8.236 1.00 1.25 C ATOM 598 C GLN A 419 -7.958 11.793 -7.778 1.00 1.03 C ATOM 599 O GLN A 419 -8.216 11.566 -6.613 1.00 1.28 O ATOM 600 CB GLN A 419 -6.581 13.121 -9.418 1.00 1.71 C ATOM 601 CG GLN A 419 -7.357 13.288 -10.726 1.00 2.33 C ATOM 602 CD GLN A 419 -6.790 12.338 -11.781 1.00 2.91 C ATOM 603 OE1 GLN A 419 -6.979 11.140 -11.702 1.00 3.29 O ATOM 604 NE2 GLN A 419 -6.096 12.823 -12.774 1.00 3.52 N ATOM 0 H GLN A 419 -6.302 13.249 -6.506 1.00 1.08 H new ATOM 0 HA GLN A 419 -8.464 13.724 -8.498 1.00 1.25 H new ATOM 0 HB2 GLN A 419 -5.823 13.900 -9.331 1.00 1.71 H new ATOM 0 HB3 GLN A 419 -6.057 12.165 -9.413 1.00 1.71 H new ATOM 0 HG2 GLN A 419 -8.414 13.078 -10.563 1.00 2.33 H new ATOM 0 HG3 GLN A 419 -7.286 14.319 -11.074 1.00 2.33 H new ATOM 0 HE21 GLN A 419 -5.936 13.828 -12.842 1.00 3.52 H new ATOM 0 HE22 GLN A 419 -5.713 12.197 -13.482 1.00 3.52 H new ATOM 613 N ASN A 420 -8.017 10.849 -8.679 1.00 0.78 N ATOM 614 CA ASN A 420 -8.406 9.465 -8.279 1.00 0.70 C ATOM 615 C ASN A 420 -7.395 8.911 -7.271 1.00 0.58 C ATOM 616 O ASN A 420 -6.457 8.227 -7.629 1.00 0.71 O ATOM 617 CB ASN A 420 -8.374 8.655 -9.576 1.00 0.86 C ATOM 618 CG ASN A 420 -9.565 9.044 -10.454 1.00 1.35 C ATOM 619 OD1 ASN A 420 -10.703 8.930 -10.041 1.00 1.96 O ATOM 620 ND2 ASN A 420 -9.351 9.504 -11.657 1.00 1.88 N ATOM 0 H ASN A 420 -7.814 10.975 -9.671 1.00 0.78 H new ATOM 0 HA ASN A 420 -9.386 9.427 -7.803 1.00 0.70 H new ATOM 0 HB2 ASN A 420 -7.441 8.839 -10.109 1.00 0.86 H new ATOM 0 HB3 ASN A 420 -8.408 7.589 -9.352 1.00 0.86 H new ATOM 0 HD21 ASN A 420 -10.138 9.768 -12.250 1.00 1.88 H new ATOM 0 HD22 ASN A 420 -8.397 9.600 -12.004 1.00 1.88 H new ATOM 627 N LEU A 421 -7.573 9.209 -6.013 1.00 0.45 N ATOM 628 CA LEU A 421 -6.617 8.708 -4.983 1.00 0.40 C ATOM 629 C LEU A 421 -6.840 7.216 -4.723 1.00 0.39 C ATOM 630 O LEU A 421 -6.097 6.376 -5.189 1.00 0.53 O ATOM 631 CB LEU A 421 -6.929 9.520 -3.726 1.00 0.42 C ATOM 632 CG LEU A 421 -6.191 10.860 -3.783 1.00 0.39 C ATOM 633 CD1 LEU A 421 -7.203 12.001 -3.681 1.00 0.50 C ATOM 634 CD2 LEU A 421 -5.207 10.951 -2.615 1.00 0.41 C ATOM 0 H LEU A 421 -8.339 9.778 -5.653 1.00 0.45 H new ATOM 0 HA LEU A 421 -5.580 8.821 -5.299 1.00 0.40 H new ATOM 0 HB2 LEU A 421 -8.003 9.688 -3.647 1.00 0.42 H new ATOM 0 HB3 LEU A 421 -6.627 8.965 -2.838 1.00 0.42 H new ATOM 0 HG LEU A 421 -5.647 10.935 -4.725 1.00 0.39 H new ATOM 0 HD11 LEU A 421 -6.680 12.956 -3.721 1.00 0.50 H new ATOM 0 HD12 LEU A 421 -7.907 11.938 -4.510 1.00 0.50 H new ATOM 0 HD13 LEU A 421 -7.745 11.924 -2.738 1.00 0.50 H new ATOM 0 HD21 LEU A 421 -4.681 11.905 -2.655 1.00 0.41 H new ATOM 0 HD22 LEU A 421 -5.752 10.876 -1.674 1.00 0.41 H new ATOM 0 HD23 LEU A 421 -4.486 10.136 -2.682 1.00 0.41 H new ATOM 646 N LEU A 422 -7.855 6.882 -3.973 1.00 0.33 N ATOM 647 CA LEU A 422 -8.127 5.448 -3.670 1.00 0.34 C ATOM 648 C LEU A 422 -8.118 4.605 -4.948 1.00 0.35 C ATOM 649 O LEU A 422 -7.810 3.429 -4.923 1.00 0.37 O ATOM 650 CB LEU A 422 -9.515 5.459 -3.041 1.00 0.37 C ATOM 651 CG LEU A 422 -9.394 5.696 -1.533 1.00 0.38 C ATOM 652 CD1 LEU A 422 -8.720 4.489 -0.875 1.00 0.58 C ATOM 653 CD2 LEU A 422 -8.561 6.954 -1.257 1.00 0.63 C ATOM 0 H LEU A 422 -8.510 7.543 -3.556 1.00 0.33 H new ATOM 0 HA LEU A 422 -7.372 5.011 -3.017 1.00 0.34 H new ATOM 0 HB2 LEU A 422 -10.125 6.241 -3.494 1.00 0.37 H new ATOM 0 HB3 LEU A 422 -10.019 4.511 -3.231 1.00 0.37 H new ATOM 0 HG LEU A 422 -10.393 5.832 -1.119 1.00 0.38 H new ATOM 0 HD11 LEU A 422 -8.635 4.660 0.198 1.00 0.58 H new ATOM 0 HD12 LEU A 422 -9.319 3.596 -1.054 1.00 0.58 H new ATOM 0 HD13 LEU A 422 -7.726 4.351 -1.300 1.00 0.58 H new ATOM 0 HD21 LEU A 422 -8.483 7.110 -0.181 1.00 0.63 H new ATOM 0 HD22 LEU A 422 -7.564 6.830 -1.679 1.00 0.63 H new ATOM 0 HD23 LEU A 422 -9.043 7.818 -1.715 1.00 0.63 H new ATOM 665 N SER A 423 -8.458 5.190 -6.060 1.00 0.35 N ATOM 666 CA SER A 423 -8.475 4.416 -7.336 1.00 0.38 C ATOM 667 C SER A 423 -7.047 4.156 -7.830 1.00 0.36 C ATOM 668 O SER A 423 -6.817 3.298 -8.659 1.00 0.40 O ATOM 669 CB SER A 423 -9.231 5.302 -8.323 1.00 0.44 C ATOM 670 OG SER A 423 -10.565 4.829 -8.451 1.00 1.23 O ATOM 0 H SER A 423 -8.725 6.171 -6.144 1.00 0.35 H new ATOM 0 HA SER A 423 -8.945 3.440 -7.217 1.00 0.38 H new ATOM 0 HB2 SER A 423 -9.231 6.335 -7.976 1.00 0.44 H new ATOM 0 HB3 SER A 423 -8.734 5.292 -9.293 1.00 0.44 H new ATOM 0 HG SER A 423 -11.054 5.397 -9.083 1.00 1.23 H new ATOM 676 N GLU A 424 -6.087 4.887 -7.333 1.00 0.34 N ATOM 677 CA GLU A 424 -4.681 4.675 -7.786 1.00 0.36 C ATOM 678 C GLU A 424 -3.997 3.603 -6.932 1.00 0.32 C ATOM 679 O GLU A 424 -3.406 2.674 -7.444 1.00 0.33 O ATOM 680 CB GLU A 424 -3.997 6.029 -7.599 1.00 0.38 C ATOM 681 CG GLU A 424 -3.216 6.383 -8.865 1.00 0.58 C ATOM 682 CD GLU A 424 -2.300 7.577 -8.584 1.00 0.81 C ATOM 683 OE1 GLU A 424 -1.464 7.461 -7.702 1.00 1.22 O ATOM 684 OE2 GLU A 424 -2.451 8.585 -9.253 1.00 1.54 O ATOM 0 H GLU A 424 -6.214 5.620 -6.635 1.00 0.34 H new ATOM 0 HA GLU A 424 -4.630 4.330 -8.819 1.00 0.36 H new ATOM 0 HB2 GLU A 424 -4.740 6.798 -7.390 1.00 0.38 H new ATOM 0 HB3 GLU A 424 -3.325 5.994 -6.742 1.00 0.38 H new ATOM 0 HG2 GLU A 424 -2.625 5.527 -9.192 1.00 0.58 H new ATOM 0 HG3 GLU A 424 -3.905 6.623 -9.675 1.00 0.58 H new ATOM 691 N ALA A 425 -4.068 3.727 -5.635 1.00 0.31 N ATOM 692 CA ALA A 425 -3.417 2.714 -4.754 1.00 0.29 C ATOM 693 C ALA A 425 -4.262 1.437 -4.690 1.00 0.28 C ATOM 694 O ALA A 425 -3.782 0.382 -4.322 1.00 0.28 O ATOM 695 CB ALA A 425 -3.340 3.377 -3.379 1.00 0.29 C ATOM 0 H ALA A 425 -4.547 4.484 -5.147 1.00 0.31 H new ATOM 0 HA ALA A 425 -2.434 2.421 -5.122 1.00 0.29 H new ATOM 0 HB1 ALA A 425 -2.871 2.693 -2.671 1.00 0.29 H new ATOM 0 HB2 ALA A 425 -2.748 4.290 -3.448 1.00 0.29 H new ATOM 0 HB3 ALA A 425 -4.345 3.621 -3.036 1.00 0.29 H new ATOM 701 N GLN A 426 -5.515 1.522 -5.043 1.00 0.30 N ATOM 702 CA GLN A 426 -6.390 0.314 -5.000 1.00 0.31 C ATOM 703 C GLN A 426 -5.734 -0.859 -5.744 1.00 0.30 C ATOM 704 O GLN A 426 -5.504 -1.901 -5.163 1.00 0.30 O ATOM 705 CB GLN A 426 -7.687 0.738 -5.692 1.00 0.36 C ATOM 706 CG GLN A 426 -8.784 0.936 -4.644 1.00 0.45 C ATOM 707 CD GLN A 426 -10.027 1.526 -5.313 1.00 0.54 C ATOM 708 OE1 GLN A 426 -10.695 2.367 -4.746 1.00 1.23 O ATOM 709 NE2 GLN A 426 -10.368 1.117 -6.504 1.00 1.09 N ATOM 0 H GLN A 426 -5.972 2.377 -5.360 1.00 0.30 H new ATOM 0 HA GLN A 426 -6.565 -0.027 -3.980 1.00 0.31 H new ATOM 0 HB2 GLN A 426 -7.530 1.662 -6.248 1.00 0.36 H new ATOM 0 HB3 GLN A 426 -7.991 -0.020 -6.414 1.00 0.36 H new ATOM 0 HG2 GLN A 426 -9.028 -0.016 -4.173 1.00 0.45 H new ATOM 0 HG3 GLN A 426 -8.432 1.601 -3.855 1.00 0.45 H new ATOM 0 HE21 GLN A 426 -9.807 0.411 -6.981 1.00 1.09 H new ATOM 0 HE22 GLN A 426 -11.195 1.504 -6.959 1.00 1.09 H new ATOM 718 N PRO A 427 -5.452 -0.660 -7.011 1.00 0.32 N ATOM 719 CA PRO A 427 -4.816 -1.733 -7.820 1.00 0.34 C ATOM 720 C PRO A 427 -3.383 -1.991 -7.348 1.00 0.31 C ATOM 721 O PRO A 427 -2.859 -3.077 -7.497 1.00 0.35 O ATOM 722 CB PRO A 427 -4.833 -1.170 -9.241 1.00 0.39 C ATOM 723 CG PRO A 427 -4.892 0.311 -9.061 1.00 0.38 C ATOM 724 CD PRO A 427 -5.685 0.554 -7.805 1.00 0.35 C ATOM 0 HA PRO A 427 -5.332 -2.690 -7.740 1.00 0.34 H new ATOM 0 HB2 PRO A 427 -3.942 -1.466 -9.795 1.00 0.39 H new ATOM 0 HB3 PRO A 427 -5.693 -1.535 -9.802 1.00 0.39 H new ATOM 0 HG2 PRO A 427 -3.890 0.732 -8.976 1.00 0.38 H new ATOM 0 HG3 PRO A 427 -5.366 0.788 -9.919 1.00 0.38 H new ATOM 0 HD2 PRO A 427 -5.344 1.447 -7.282 1.00 0.35 H new ATOM 0 HD3 PRO A 427 -6.744 0.696 -8.020 1.00 0.35 H new ATOM 732 N GLU A 428 -2.746 -1.007 -6.776 1.00 0.29 N ATOM 733 CA GLU A 428 -1.348 -1.208 -6.296 1.00 0.29 C ATOM 734 C GLU A 428 -1.312 -2.303 -5.225 1.00 0.27 C ATOM 735 O GLU A 428 -0.567 -3.259 -5.326 1.00 0.32 O ATOM 736 CB GLU A 428 -0.933 0.138 -5.702 1.00 0.29 C ATOM 737 CG GLU A 428 0.591 0.190 -5.570 1.00 0.71 C ATOM 738 CD GLU A 428 1.024 1.602 -5.171 1.00 1.37 C ATOM 739 OE1 GLU A 428 0.488 2.544 -5.731 1.00 2.07 O ATOM 740 OE2 GLU A 428 1.883 1.717 -4.312 1.00 2.12 O ATOM 0 H GLU A 428 -3.130 -0.075 -6.620 1.00 0.29 H new ATOM 0 HA GLU A 428 -0.677 -1.522 -7.096 1.00 0.29 H new ATOM 0 HB2 GLU A 428 -1.281 0.951 -6.339 1.00 0.29 H new ATOM 0 HB3 GLU A 428 -1.398 0.276 -4.726 1.00 0.29 H new ATOM 0 HG2 GLU A 428 0.926 -0.529 -4.822 1.00 0.71 H new ATOM 0 HG3 GLU A 428 1.058 -0.091 -6.514 1.00 0.71 H new ATOM 747 N LEU A 429 -2.112 -2.173 -4.202 1.00 0.26 N ATOM 748 CA LEU A 429 -2.124 -3.206 -3.127 1.00 0.26 C ATOM 749 C LEU A 429 -2.656 -4.535 -3.675 1.00 0.25 C ATOM 750 O LEU A 429 -2.131 -5.592 -3.384 1.00 0.28 O ATOM 751 CB LEU A 429 -3.064 -2.646 -2.052 1.00 0.26 C ATOM 752 CG LEU A 429 -3.327 -3.709 -0.982 1.00 0.29 C ATOM 753 CD1 LEU A 429 -2.900 -3.177 0.388 1.00 0.45 C ATOM 754 CD2 LEU A 429 -4.820 -4.045 -0.952 1.00 0.56 C ATOM 0 H LEU A 429 -2.758 -1.396 -4.064 1.00 0.26 H new ATOM 0 HA LEU A 429 -1.128 -3.406 -2.732 1.00 0.26 H new ATOM 0 HB2 LEU A 429 -2.622 -1.760 -1.596 1.00 0.26 H new ATOM 0 HB3 LEU A 429 -4.005 -2.335 -2.506 1.00 0.26 H new ATOM 0 HG LEU A 429 -2.755 -4.606 -1.218 1.00 0.29 H new ATOM 0 HD11 LEU A 429 -3.088 -3.936 1.148 1.00 0.45 H new ATOM 0 HD12 LEU A 429 -1.837 -2.937 0.370 1.00 0.45 H new ATOM 0 HD13 LEU A 429 -3.470 -2.278 0.623 1.00 0.45 H new ATOM 0 HD21 LEU A 429 -5.007 -4.802 -0.190 1.00 0.56 H new ATOM 0 HD22 LEU A 429 -5.391 -3.146 -0.719 1.00 0.56 H new ATOM 0 HD23 LEU A 429 -5.127 -4.427 -1.926 1.00 0.56 H new ATOM 766 N GLU A 430 -3.696 -4.490 -4.461 1.00 0.27 N ATOM 767 CA GLU A 430 -4.263 -5.750 -5.020 1.00 0.28 C ATOM 768 C GLU A 430 -3.254 -6.426 -5.953 1.00 0.30 C ATOM 769 O GLU A 430 -3.275 -7.626 -6.139 1.00 0.33 O ATOM 770 CB GLU A 430 -5.504 -5.312 -5.797 1.00 0.30 C ATOM 771 CG GLU A 430 -6.760 -5.727 -5.030 1.00 0.61 C ATOM 772 CD GLU A 430 -7.249 -4.556 -4.177 1.00 1.45 C ATOM 773 OE1 GLU A 430 -7.734 -3.593 -4.749 1.00 2.18 O ATOM 774 OE2 GLU A 430 -7.131 -4.640 -2.965 1.00 2.05 O ATOM 0 H GLU A 430 -4.178 -3.636 -4.740 1.00 0.27 H new ATOM 0 HA GLU A 430 -4.501 -6.474 -4.241 1.00 0.28 H new ATOM 0 HB2 GLU A 430 -5.493 -4.232 -5.941 1.00 0.30 H new ATOM 0 HB3 GLU A 430 -5.504 -5.765 -6.788 1.00 0.30 H new ATOM 0 HG2 GLU A 430 -7.540 -6.033 -5.727 1.00 0.61 H new ATOM 0 HG3 GLU A 430 -6.544 -6.587 -4.396 1.00 0.61 H new ATOM 781 N ARG A 431 -2.373 -5.667 -6.545 1.00 0.33 N ATOM 782 CA ARG A 431 -1.370 -6.275 -7.467 1.00 0.37 C ATOM 783 C ARG A 431 -0.288 -7.011 -6.672 1.00 0.36 C ATOM 784 O ARG A 431 -0.082 -8.196 -6.836 1.00 0.38 O ATOM 785 CB ARG A 431 -0.762 -5.097 -8.229 1.00 0.41 C ATOM 786 CG ARG A 431 0.046 -5.623 -9.417 1.00 0.59 C ATOM 787 CD ARG A 431 1.257 -4.717 -9.655 1.00 1.32 C ATOM 788 NE ARG A 431 0.961 -4.009 -10.931 1.00 1.56 N ATOM 789 CZ ARG A 431 1.661 -4.271 -12.001 1.00 2.19 C ATOM 790 NH1 ARG A 431 2.862 -3.775 -12.133 1.00 2.87 N ATOM 791 NH2 ARG A 431 1.161 -5.026 -12.940 1.00 2.78 N ATOM 0 H ARG A 431 -2.304 -4.656 -6.431 1.00 0.33 H new ATOM 0 HA ARG A 431 -1.823 -7.006 -8.137 1.00 0.37 H new ATOM 0 HB2 ARG A 431 -1.550 -4.430 -8.578 1.00 0.41 H new ATOM 0 HB3 ARG A 431 -0.120 -4.514 -7.568 1.00 0.41 H new ATOM 0 HG2 ARG A 431 0.375 -6.644 -9.223 1.00 0.59 H new ATOM 0 HG3 ARG A 431 -0.579 -5.654 -10.310 1.00 0.59 H new ATOM 0 HD2 ARG A 431 1.391 -4.012 -8.834 1.00 1.32 H new ATOM 0 HD3 ARG A 431 2.176 -5.298 -9.730 1.00 1.32 H new ATOM 0 HE ARG A 431 0.211 -3.319 -10.969 1.00 1.56 H new ATOM 0 HH11 ARG A 431 3.253 -3.183 -11.400 1.00 2.87 H new ATOM 0 HH12 ARG A 431 3.409 -3.980 -12.969 1.00 2.87 H new ATOM 0 HH21 ARG A 431 0.222 -5.412 -12.838 1.00 2.78 H new ATOM 0 HH22 ARG A 431 1.709 -5.230 -13.776 1.00 2.78 H new ATOM 805 N THR A 432 0.406 -6.317 -5.812 1.00 0.41 N ATOM 806 CA THR A 432 1.481 -6.974 -5.009 1.00 0.45 C ATOM 807 C THR A 432 0.958 -8.260 -4.360 1.00 0.40 C ATOM 808 O THR A 432 1.597 -9.293 -4.408 1.00 0.56 O ATOM 809 CB THR A 432 1.857 -5.948 -3.939 1.00 0.53 C ATOM 810 OG1 THR A 432 2.176 -4.712 -4.564 1.00 0.61 O ATOM 811 CG2 THR A 432 3.068 -6.452 -3.152 1.00 0.62 C ATOM 0 H THR A 432 0.276 -5.322 -5.629 1.00 0.41 H new ATOM 0 HA THR A 432 2.335 -7.259 -5.623 1.00 0.45 H new ATOM 0 HB THR A 432 1.018 -5.806 -3.258 1.00 0.53 H new ATOM 0 HG1 THR A 432 2.416 -4.052 -3.880 1.00 0.61 H new ATOM 0 HG21 THR A 432 3.336 -5.721 -2.389 1.00 0.62 H new ATOM 0 HG22 THR A 432 2.823 -7.401 -2.675 1.00 0.62 H new ATOM 0 HG23 THR A 432 3.909 -6.594 -3.830 1.00 0.62 H new ATOM 819 N LEU A 433 -0.194 -8.207 -3.752 1.00 0.33 N ATOM 820 CA LEU A 433 -0.749 -9.428 -3.102 1.00 0.30 C ATOM 821 C LEU A 433 -1.109 -10.476 -4.159 1.00 0.27 C ATOM 822 O LEU A 433 -0.882 -11.656 -3.979 1.00 0.25 O ATOM 823 CB LEU A 433 -2.005 -8.955 -2.369 1.00 0.37 C ATOM 824 CG LEU A 433 -2.064 -9.605 -0.985 1.00 0.42 C ATOM 825 CD1 LEU A 433 -2.086 -11.127 -1.136 1.00 0.41 C ATOM 826 CD2 LEU A 433 -0.832 -9.192 -0.175 1.00 0.44 C ATOM 0 H LEU A 433 -0.775 -7.372 -3.677 1.00 0.33 H new ATOM 0 HA LEU A 433 -0.033 -9.893 -2.425 1.00 0.30 H new ATOM 0 HB2 LEU A 433 -1.995 -7.869 -2.272 1.00 0.37 H new ATOM 0 HB3 LEU A 433 -2.894 -9.216 -2.943 1.00 0.37 H new ATOM 0 HG LEU A 433 -2.966 -9.278 -0.469 1.00 0.42 H new ATOM 0 HD11 LEU A 433 -2.128 -11.590 -0.150 1.00 0.41 H new ATOM 0 HD12 LEU A 433 -2.962 -11.423 -1.713 1.00 0.41 H new ATOM 0 HD13 LEU A 433 -1.184 -11.454 -1.652 1.00 0.41 H new ATOM 0 HD21 LEU A 433 -0.873 -9.655 0.811 1.00 0.44 H new ATOM 0 HD22 LEU A 433 0.070 -9.519 -0.692 1.00 0.44 H new ATOM 0 HD23 LEU A 433 -0.815 -8.108 -0.067 1.00 0.44 H new ATOM 838 N LEU A 434 -1.668 -10.054 -5.260 1.00 0.32 N ATOM 839 CA LEU A 434 -2.041 -11.028 -6.326 1.00 0.32 C ATOM 840 C LEU A 434 -0.801 -11.783 -6.808 1.00 0.29 C ATOM 841 O LEU A 434 -0.807 -12.991 -6.936 1.00 0.30 O ATOM 842 CB LEU A 434 -2.623 -10.177 -7.453 1.00 0.41 C ATOM 843 CG LEU A 434 -2.969 -11.073 -8.642 1.00 0.65 C ATOM 844 CD1 LEU A 434 -4.489 -11.188 -8.769 1.00 0.84 C ATOM 845 CD2 LEU A 434 -2.395 -10.462 -9.923 1.00 1.14 C ATOM 0 H LEU A 434 -1.882 -9.079 -5.468 1.00 0.32 H new ATOM 0 HA LEU A 434 -2.751 -11.776 -5.973 1.00 0.32 H new ATOM 0 HB2 LEU A 434 -3.515 -9.655 -7.106 1.00 0.41 H new ATOM 0 HB3 LEU A 434 -1.905 -9.415 -7.755 1.00 0.41 H new ATOM 0 HG LEU A 434 -2.542 -12.064 -8.488 1.00 0.65 H new ATOM 0 HD11 LEU A 434 -4.736 -11.827 -9.617 1.00 0.84 H new ATOM 0 HD12 LEU A 434 -4.899 -11.621 -7.857 1.00 0.84 H new ATOM 0 HD13 LEU A 434 -4.917 -10.198 -8.924 1.00 0.84 H new ATOM 0 HD21 LEU A 434 -2.641 -11.100 -10.772 1.00 1.14 H new ATOM 0 HD22 LEU A 434 -2.823 -9.471 -10.077 1.00 1.14 H new ATOM 0 HD23 LEU A 434 -1.312 -10.379 -9.833 1.00 1.14 H new ATOM 857 N THR A 435 0.265 -11.079 -7.079 1.00 0.34 N ATOM 858 CA THR A 435 1.505 -11.758 -7.553 1.00 0.37 C ATOM 859 C THR A 435 2.052 -12.679 -6.460 1.00 0.35 C ATOM 860 O THR A 435 2.472 -13.787 -6.723 1.00 0.39 O ATOM 861 CB THR A 435 2.493 -10.628 -7.843 1.00 0.45 C ATOM 862 OG1 THR A 435 1.989 -9.819 -8.897 1.00 0.52 O ATOM 863 CG2 THR A 435 3.843 -11.220 -8.252 1.00 0.55 C ATOM 0 H THR A 435 0.331 -10.065 -6.993 1.00 0.34 H new ATOM 0 HA THR A 435 1.325 -12.377 -8.432 1.00 0.37 H new ATOM 0 HB THR A 435 2.622 -10.020 -6.948 1.00 0.45 H new ATOM 0 HG1 THR A 435 2.621 -9.093 -9.083 1.00 0.52 H new ATOM 0 HG21 THR A 435 4.546 -10.413 -8.458 1.00 0.55 H new ATOM 0 HG22 THR A 435 4.229 -11.840 -7.442 1.00 0.55 H new ATOM 0 HG23 THR A 435 3.717 -11.829 -9.147 1.00 0.55 H new ATOM 871 N THR A 436 2.053 -12.229 -5.236 1.00 0.33 N ATOM 872 CA THR A 436 2.575 -13.082 -4.131 1.00 0.36 C ATOM 873 C THR A 436 1.774 -14.384 -4.053 1.00 0.36 C ATOM 874 O THR A 436 2.299 -15.459 -4.266 1.00 0.40 O ATOM 875 CB THR A 436 2.383 -12.252 -2.862 1.00 0.38 C ATOM 876 OG1 THR A 436 2.929 -10.956 -3.061 1.00 0.39 O ATOM 877 CG2 THR A 436 3.096 -12.935 -1.695 1.00 0.49 C ATOM 0 H THR A 436 1.716 -11.309 -4.953 1.00 0.33 H new ATOM 0 HA THR A 436 3.619 -13.359 -4.277 1.00 0.36 H new ATOM 0 HB THR A 436 1.320 -12.168 -2.637 1.00 0.38 H new ATOM 0 HG1 THR A 436 2.205 -10.321 -3.243 1.00 0.39 H new ATOM 0 HG21 THR A 436 2.960 -12.344 -0.789 1.00 0.49 H new ATOM 0 HG22 THR A 436 2.677 -13.930 -1.545 1.00 0.49 H new ATOM 0 HG23 THR A 436 4.160 -13.018 -1.917 1.00 0.49 H new ATOM 885 N ALA A 437 0.507 -14.298 -3.755 1.00 0.34 N ATOM 886 CA ALA A 437 -0.321 -15.535 -3.673 1.00 0.36 C ATOM 887 C ALA A 437 -0.200 -16.327 -4.976 1.00 0.36 C ATOM 888 O ALA A 437 -0.098 -17.538 -4.966 1.00 0.41 O ATOM 889 CB ALA A 437 -1.754 -15.045 -3.464 1.00 0.35 C ATOM 0 H ALA A 437 0.010 -13.428 -3.565 1.00 0.34 H new ATOM 0 HA ALA A 437 -0.004 -16.197 -2.867 1.00 0.36 H new ATOM 0 HB1 ALA A 437 -2.425 -15.901 -3.394 1.00 0.35 H new ATOM 0 HB2 ALA A 437 -1.809 -14.464 -2.543 1.00 0.35 H new ATOM 0 HB3 ALA A 437 -2.051 -14.419 -4.306 1.00 0.35 H new ATOM 895 N LEU A 438 -0.194 -15.659 -6.100 1.00 0.34 N ATOM 896 CA LEU A 438 -0.060 -16.398 -7.385 1.00 0.36 C ATOM 897 C LEU A 438 1.271 -17.149 -7.395 1.00 0.42 C ATOM 898 O LEU A 438 1.366 -18.257 -7.879 1.00 0.46 O ATOM 899 CB LEU A 438 -0.090 -15.337 -8.492 1.00 0.36 C ATOM 900 CG LEU A 438 0.262 -15.989 -9.838 1.00 0.41 C ATOM 901 CD1 LEU A 438 -0.660 -17.185 -10.096 1.00 0.42 C ATOM 902 CD2 LEU A 438 0.088 -14.971 -10.968 1.00 0.45 C ATOM 0 H LEU A 438 -0.275 -14.646 -6.182 1.00 0.34 H new ATOM 0 HA LEU A 438 -0.857 -17.128 -7.526 1.00 0.36 H new ATOM 0 HB2 LEU A 438 -1.078 -14.880 -8.545 1.00 0.36 H new ATOM 0 HB3 LEU A 438 0.618 -14.540 -8.266 1.00 0.36 H new ATOM 0 HG LEU A 438 1.298 -16.327 -9.805 1.00 0.41 H new ATOM 0 HD11 LEU A 438 -0.404 -17.642 -11.052 1.00 0.42 H new ATOM 0 HD12 LEU A 438 -0.537 -17.918 -9.299 1.00 0.42 H new ATOM 0 HD13 LEU A 438 -1.696 -16.847 -10.121 1.00 0.42 H new ATOM 0 HD21 LEU A 438 0.339 -15.438 -11.920 1.00 0.45 H new ATOM 0 HD22 LEU A 438 -0.947 -14.629 -10.993 1.00 0.45 H new ATOM 0 HD23 LEU A 438 0.748 -14.120 -10.796 1.00 0.45 H new ATOM 914 N ARG A 439 2.302 -16.555 -6.853 1.00 0.43 N ATOM 915 CA ARG A 439 3.624 -17.243 -6.822 1.00 0.51 C ATOM 916 C ARG A 439 3.450 -18.647 -6.238 1.00 0.54 C ATOM 917 O ARG A 439 4.043 -19.602 -6.699 1.00 0.61 O ATOM 918 CB ARG A 439 4.503 -16.384 -5.914 1.00 0.52 C ATOM 919 CG ARG A 439 5.976 -16.634 -6.241 1.00 0.77 C ATOM 920 CD ARG A 439 6.840 -16.242 -5.040 1.00 1.28 C ATOM 921 NE ARG A 439 8.238 -16.252 -5.552 1.00 1.74 N ATOM 922 CZ ARG A 439 9.225 -16.529 -4.746 1.00 2.28 C ATOM 923 NH1 ARG A 439 9.635 -15.636 -3.886 1.00 2.82 N ATOM 924 NH2 ARG A 439 9.804 -17.697 -4.800 1.00 2.89 N ATOM 0 H ARG A 439 2.285 -15.626 -6.432 1.00 0.43 H new ATOM 0 HA ARG A 439 4.065 -17.353 -7.813 1.00 0.51 H new ATOM 0 HB2 ARG A 439 4.264 -15.329 -6.051 1.00 0.52 H new ATOM 0 HB3 ARG A 439 4.306 -16.623 -4.869 1.00 0.52 H new ATOM 0 HG2 ARG A 439 6.132 -17.684 -6.487 1.00 0.77 H new ATOM 0 HG3 ARG A 439 6.268 -16.055 -7.117 1.00 0.77 H new ATOM 0 HD2 ARG A 439 6.566 -15.258 -4.661 1.00 1.28 H new ATOM 0 HD3 ARG A 439 6.716 -16.946 -4.218 1.00 1.28 H new ATOM 0 HE ARG A 439 8.424 -16.042 -6.533 1.00 1.74 H new ATOM 0 HH11 ARG A 439 9.183 -14.722 -3.845 1.00 2.82 H new ATOM 0 HH12 ARG A 439 10.407 -15.852 -3.255 1.00 2.82 H new ATOM 0 HH21 ARG A 439 9.485 -18.394 -5.473 1.00 2.89 H new ATOM 0 HH22 ARG A 439 10.576 -17.913 -4.169 1.00 2.89 H new ATOM 938 N HIS A 440 2.614 -18.778 -5.244 1.00 0.52 N ATOM 939 CA HIS A 440 2.370 -20.120 -4.652 1.00 0.57 C ATOM 940 C HIS A 440 1.769 -21.027 -5.728 1.00 0.58 C ATOM 941 O HIS A 440 1.953 -22.228 -5.727 1.00 0.64 O ATOM 942 CB HIS A 440 1.367 -19.879 -3.522 1.00 0.56 C ATOM 943 CG HIS A 440 1.064 -21.183 -2.838 1.00 0.63 C ATOM 944 ND1 HIS A 440 -0.087 -21.684 -2.283 1.00 1.04 N flip ATOM 945 CD2 HIS A 440 2.027 -22.166 -2.664 1.00 0.82 C flip ATOM 946 CE1 HIS A 440 0.153 -22.956 -1.773 1.00 0.96 C flip ATOM 947 NE2 HIS A 440 1.442 -23.198 -2.028 1.00 0.75 N flip ATOM 0 H HIS A 440 2.091 -18.013 -4.818 1.00 0.52 H new ATOM 0 HA HIS A 440 3.276 -20.599 -4.280 1.00 0.57 H new ATOM 0 HB2 HIS A 440 1.774 -19.166 -2.805 1.00 0.56 H new ATOM 0 HB3 HIS A 440 0.451 -19.443 -3.921 1.00 0.56 H new ATOM 0 HD2 HIS A 440 3.058 -22.113 -2.981 1.00 0.82 H new ATOM 0 HE1 HIS A 440 -0.551 -23.608 -1.277 1.00 0.96 H new ATOM 0 HE2 HIS A 440 1.924 -24.060 -1.772 1.00 0.75 H new ATOM 955 N THR A 441 1.062 -20.440 -6.656 1.00 0.54 N ATOM 956 CA THR A 441 0.448 -21.229 -7.762 1.00 0.55 C ATOM 957 C THR A 441 0.793 -20.561 -9.096 1.00 0.56 C ATOM 958 O THR A 441 -0.066 -20.317 -9.920 1.00 0.55 O ATOM 959 CB THR A 441 -1.065 -21.173 -7.514 1.00 0.53 C ATOM 960 OG1 THR A 441 -1.536 -19.857 -7.774 1.00 0.48 O ATOM 961 CG2 THR A 441 -1.377 -21.549 -6.062 1.00 0.54 C ATOM 0 H THR A 441 0.882 -19.437 -6.695 1.00 0.54 H new ATOM 0 HA THR A 441 0.806 -22.258 -7.795 1.00 0.55 H new ATOM 0 HB THR A 441 -1.561 -21.881 -8.178 1.00 0.53 H new ATOM 0 HG1 THR A 441 -1.505 -19.683 -8.738 1.00 0.48 H new ATOM 0 HG21 THR A 441 -2.454 -21.506 -5.898 1.00 0.54 H new ATOM 0 HG22 THR A 441 -1.020 -22.560 -5.863 1.00 0.54 H new ATOM 0 HG23 THR A 441 -0.879 -20.850 -5.390 1.00 0.54 H new ATOM 969 N GLN A 442 2.050 -20.244 -9.296 1.00 0.59 N ATOM 970 CA GLN A 442 2.487 -19.566 -10.556 1.00 0.62 C ATOM 971 C GLN A 442 1.801 -20.166 -11.788 1.00 0.64 C ATOM 972 O GLN A 442 1.891 -21.349 -12.050 1.00 0.69 O ATOM 973 CB GLN A 442 3.996 -19.799 -10.625 1.00 0.69 C ATOM 974 CG GLN A 442 4.727 -18.462 -10.477 1.00 1.43 C ATOM 975 CD GLN A 442 5.116 -17.936 -11.858 1.00 1.79 C ATOM 976 OE1 GLN A 442 6.284 -17.761 -12.147 1.00 2.16 O ATOM 977 NE2 GLN A 442 4.183 -17.674 -12.732 1.00 2.47 N ATOM 0 H GLN A 442 2.801 -20.429 -8.631 1.00 0.59 H new ATOM 0 HA GLN A 442 2.224 -18.508 -10.549 1.00 0.62 H new ATOM 0 HB2 GLN A 442 4.305 -20.484 -9.835 1.00 0.69 H new ATOM 0 HB3 GLN A 442 4.259 -20.266 -11.574 1.00 0.69 H new ATOM 0 HG2 GLN A 442 4.087 -17.740 -9.969 1.00 1.43 H new ATOM 0 HG3 GLN A 442 5.617 -18.589 -9.861 1.00 1.43 H new ATOM 0 HE21 GLN A 442 3.203 -17.820 -12.491 1.00 2.47 H new ATOM 0 HE22 GLN A 442 4.434 -17.323 -13.656 1.00 2.47 H new ATOM 986 N GLY A 443 1.117 -19.351 -12.545 1.00 0.63 N ATOM 987 CA GLY A 443 0.424 -19.861 -13.759 1.00 0.66 C ATOM 988 C GLY A 443 -0.998 -20.289 -13.400 1.00 0.64 C ATOM 989 O GLY A 443 -1.940 -20.011 -14.116 1.00 0.66 O ATOM 0 H GLY A 443 1.009 -18.351 -12.373 1.00 0.63 H new ATOM 0 HA2 GLY A 443 0.398 -19.087 -14.526 1.00 0.66 H new ATOM 0 HA3 GLY A 443 0.974 -20.705 -14.175 1.00 0.66 H new ATOM 993 N HIS A 444 -1.166 -20.962 -12.293 1.00 0.62 N ATOM 994 CA HIS A 444 -2.533 -21.403 -11.891 1.00 0.62 C ATOM 995 C HIS A 444 -3.493 -20.210 -11.900 1.00 0.67 C ATOM 996 O HIS A 444 -4.572 -20.279 -12.453 1.00 1.34 O ATOM 997 CB HIS A 444 -2.371 -21.956 -10.474 1.00 0.63 C ATOM 998 CG HIS A 444 -3.254 -23.161 -10.304 1.00 0.95 C ATOM 999 ND1 HIS A 444 -2.754 -24.397 -9.922 1.00 1.52 N ATOM 1000 CD2 HIS A 444 -4.606 -23.336 -10.462 1.00 1.62 C ATOM 1001 CE1 HIS A 444 -3.792 -25.254 -9.864 1.00 1.77 C ATOM 1002 NE2 HIS A 444 -4.944 -24.658 -10.183 1.00 1.86 N ATOM 0 H HIS A 444 -0.418 -21.225 -11.651 1.00 0.62 H new ATOM 0 HA HIS A 444 -2.946 -22.148 -12.571 1.00 0.62 H new ATOM 0 HB2 HIS A 444 -1.330 -22.226 -10.294 1.00 0.63 H new ATOM 0 HB3 HIS A 444 -2.634 -21.193 -9.742 1.00 0.63 H new ATOM 0 HD2 HIS A 444 -5.302 -22.565 -10.758 1.00 1.62 H new ATOM 0 HE1 HIS A 444 -3.703 -26.296 -9.593 1.00 1.77 H new ATOM 0 HE2 HIS A 444 -5.872 -25.080 -10.215 1.00 1.86 H new ATOM 1010 N LYS A 445 -3.101 -19.115 -11.297 1.00 0.62 N ATOM 1011 CA LYS A 445 -3.978 -17.900 -11.264 1.00 0.51 C ATOM 1012 C LYS A 445 -5.268 -18.190 -10.488 1.00 0.51 C ATOM 1013 O LYS A 445 -5.453 -17.728 -9.380 1.00 0.57 O ATOM 1014 CB LYS A 445 -4.292 -17.575 -12.728 1.00 0.62 C ATOM 1015 CG LYS A 445 -3.953 -16.110 -13.009 1.00 1.31 C ATOM 1016 CD LYS A 445 -4.429 -15.735 -14.413 1.00 1.56 C ATOM 1017 CE LYS A 445 -3.896 -14.349 -14.780 1.00 2.23 C ATOM 1018 NZ LYS A 445 -4.797 -13.393 -14.077 1.00 2.52 N ATOM 0 H LYS A 445 -2.205 -19.009 -10.822 1.00 0.62 H new ATOM 0 HA LYS A 445 -3.489 -17.064 -10.764 1.00 0.51 H new ATOM 0 HB2 LYS A 445 -3.717 -18.225 -13.387 1.00 0.62 H new ATOM 0 HB3 LYS A 445 -5.346 -17.762 -12.935 1.00 0.62 H new ATOM 0 HG2 LYS A 445 -4.429 -15.467 -12.269 1.00 1.31 H new ATOM 0 HG3 LYS A 445 -2.878 -15.952 -12.924 1.00 1.31 H new ATOM 0 HD2 LYS A 445 -4.081 -16.473 -15.136 1.00 1.56 H new ATOM 0 HD3 LYS A 445 -5.518 -15.739 -14.452 1.00 1.56 H new ATOM 0 HE2 LYS A 445 -2.862 -14.226 -14.459 1.00 2.23 H new ATOM 0 HE3 LYS A 445 -3.916 -14.191 -15.858 1.00 2.23 H new ATOM 0 HZ1 LYS A 445 -5.288 -12.800 -14.776 1.00 2.52 H new ATOM 0 HZ2 LYS A 445 -5.497 -13.922 -13.519 1.00 2.52 H new ATOM 0 HZ3 LYS A 445 -4.236 -12.788 -13.444 1.00 2.52 H new ATOM 1032 N GLN A 446 -6.163 -18.951 -11.063 1.00 0.53 N ATOM 1033 CA GLN A 446 -7.443 -19.274 -10.363 1.00 0.56 C ATOM 1034 C GLN A 446 -7.171 -19.722 -8.924 1.00 0.52 C ATOM 1035 O GLN A 446 -7.895 -19.380 -8.010 1.00 0.51 O ATOM 1036 CB GLN A 446 -8.055 -20.417 -11.172 1.00 0.64 C ATOM 1037 CG GLN A 446 -8.906 -19.845 -12.307 1.00 1.11 C ATOM 1038 CD GLN A 446 -8.319 -20.274 -13.653 1.00 1.79 C ATOM 1039 OE1 GLN A 446 -7.538 -19.554 -14.243 1.00 2.45 O ATOM 1040 NE2 GLN A 446 -8.663 -21.422 -14.166 1.00 2.40 N ATOM 0 H GLN A 446 -6.062 -19.364 -11.990 1.00 0.53 H new ATOM 0 HA GLN A 446 -8.106 -18.411 -10.302 1.00 0.56 H new ATOM 0 HB2 GLN A 446 -7.267 -21.051 -11.579 1.00 0.64 H new ATOM 0 HB3 GLN A 446 -8.668 -21.046 -10.526 1.00 0.64 H new ATOM 0 HG2 GLN A 446 -9.934 -20.197 -12.218 1.00 1.11 H new ATOM 0 HG3 GLN A 446 -8.935 -18.757 -12.241 1.00 1.11 H new ATOM 0 HE21 GLN A 446 -9.319 -22.026 -13.670 1.00 2.40 H new ATOM 0 HE22 GLN A 446 -8.277 -21.716 -15.063 1.00 2.40 H new ATOM 1049 N GLU A 447 -6.131 -20.484 -8.714 1.00 0.52 N ATOM 1050 CA GLU A 447 -5.815 -20.948 -7.332 1.00 0.51 C ATOM 1051 C GLU A 447 -5.741 -19.749 -6.383 1.00 0.45 C ATOM 1052 O GLU A 447 -6.172 -19.815 -5.250 1.00 0.45 O ATOM 1053 CB GLU A 447 -4.453 -21.632 -7.443 1.00 0.53 C ATOM 1054 CG GLU A 447 -4.589 -23.106 -7.059 1.00 0.80 C ATOM 1055 CD GLU A 447 -4.949 -23.217 -5.577 1.00 1.32 C ATOM 1056 OE1 GLU A 447 -4.477 -22.395 -4.810 1.00 1.96 O ATOM 1057 OE2 GLU A 447 -5.692 -24.123 -5.234 1.00 2.14 O ATOM 0 H GLU A 447 -5.488 -20.805 -9.438 1.00 0.52 H new ATOM 0 HA GLU A 447 -6.574 -21.623 -6.936 1.00 0.51 H new ATOM 0 HB2 GLU A 447 -4.072 -21.544 -8.460 1.00 0.53 H new ATOM 0 HB3 GLU A 447 -3.733 -21.140 -6.789 1.00 0.53 H new ATOM 0 HG2 GLU A 447 -5.358 -23.582 -7.667 1.00 0.80 H new ATOM 0 HG3 GLU A 447 -3.655 -23.632 -7.258 1.00 0.80 H new ATOM 1064 N ALA A 448 -5.204 -18.652 -6.842 1.00 0.42 N ATOM 1065 CA ALA A 448 -5.114 -17.449 -5.966 1.00 0.39 C ATOM 1066 C ALA A 448 -6.501 -17.096 -5.426 1.00 0.40 C ATOM 1067 O ALA A 448 -6.637 -16.443 -4.410 1.00 0.40 O ATOM 1068 CB ALA A 448 -4.590 -16.334 -6.872 1.00 0.39 C ATOM 0 H ALA A 448 -4.825 -18.536 -7.782 1.00 0.42 H new ATOM 0 HA ALA A 448 -4.464 -17.608 -5.105 1.00 0.39 H new ATOM 0 HB1 ALA A 448 -4.496 -15.412 -6.298 1.00 0.39 H new ATOM 0 HB2 ALA A 448 -3.614 -16.615 -7.268 1.00 0.39 H new ATOM 0 HB3 ALA A 448 -5.285 -16.178 -7.697 1.00 0.39 H new ATOM 1074 N ALA A 449 -7.533 -17.528 -6.099 1.00 0.44 N ATOM 1075 CA ALA A 449 -8.913 -17.225 -5.629 1.00 0.47 C ATOM 1076 C ALA A 449 -9.086 -17.663 -4.173 1.00 0.48 C ATOM 1077 O ALA A 449 -9.257 -16.853 -3.285 1.00 0.49 O ATOM 1078 CB ALA A 449 -9.824 -18.047 -6.542 1.00 0.52 C ATOM 0 H ALA A 449 -7.479 -18.079 -6.956 1.00 0.44 H new ATOM 0 HA ALA A 449 -9.139 -16.160 -5.669 1.00 0.47 H new ATOM 0 HB1 ALA A 449 -10.864 -17.881 -6.263 1.00 0.52 H new ATOM 0 HB2 ALA A 449 -9.673 -17.741 -7.577 1.00 0.52 H new ATOM 0 HB3 ALA A 449 -9.585 -19.105 -6.438 1.00 0.52 H new ATOM 1084 N ARG A 450 -9.046 -18.945 -3.927 1.00 0.49 N ATOM 1085 CA ARG A 450 -9.212 -19.448 -2.534 1.00 0.52 C ATOM 1086 C ARG A 450 -8.080 -18.933 -1.643 1.00 0.49 C ATOM 1087 O ARG A 450 -8.279 -18.626 -0.484 1.00 0.50 O ATOM 1088 CB ARG A 450 -9.144 -20.971 -2.659 1.00 0.56 C ATOM 1089 CG ARG A 450 -9.934 -21.616 -1.520 1.00 0.78 C ATOM 1090 CD ARG A 450 -11.103 -22.418 -2.098 1.00 1.37 C ATOM 1091 NE ARG A 450 -11.188 -23.640 -1.250 1.00 1.77 N ATOM 1092 CZ ARG A 450 -12.161 -23.769 -0.388 1.00 2.35 C ATOM 1093 NH1 ARG A 450 -12.056 -23.237 0.798 1.00 2.97 N ATOM 1094 NH2 ARG A 450 -13.237 -24.432 -0.713 1.00 2.93 N ATOM 0 H ARG A 450 -8.905 -19.667 -4.633 1.00 0.49 H new ATOM 0 HA ARG A 450 -10.145 -19.113 -2.082 1.00 0.52 H new ATOM 0 HB2 ARG A 450 -9.550 -21.285 -3.620 1.00 0.56 H new ATOM 0 HB3 ARG A 450 -8.106 -21.302 -2.628 1.00 0.56 H new ATOM 0 HG2 ARG A 450 -9.284 -22.269 -0.937 1.00 0.78 H new ATOM 0 HG3 ARG A 450 -10.306 -20.848 -0.841 1.00 0.78 H new ATOM 0 HD2 ARG A 450 -12.030 -21.846 -2.061 1.00 1.37 H new ATOM 0 HD3 ARG A 450 -10.928 -22.674 -3.143 1.00 1.37 H new ATOM 0 HE ARG A 450 -10.487 -24.375 -1.342 1.00 1.77 H new ATOM 0 HH11 ARG A 450 -11.214 -22.720 1.052 1.00 2.97 H new ATOM 0 HH12 ARG A 450 -12.816 -23.338 1.471 1.00 2.97 H new ATOM 0 HH21 ARG A 450 -13.318 -24.849 -1.640 1.00 2.93 H new ATOM 0 HH22 ARG A 450 -13.997 -24.533 -0.040 1.00 2.93 H new ATOM 1108 N LEU A 451 -6.893 -18.840 -2.173 1.00 0.47 N ATOM 1109 CA LEU A 451 -5.747 -18.350 -1.355 1.00 0.47 C ATOM 1110 C LEU A 451 -6.039 -16.948 -0.813 1.00 0.44 C ATOM 1111 O LEU A 451 -5.506 -16.541 0.200 1.00 0.48 O ATOM 1112 CB LEU A 451 -4.564 -18.316 -2.319 1.00 0.46 C ATOM 1113 CG LEU A 451 -3.794 -19.634 -2.227 1.00 0.53 C ATOM 1114 CD1 LEU A 451 -3.312 -20.044 -3.621 1.00 0.92 C ATOM 1115 CD2 LEU A 451 -2.587 -19.455 -1.304 1.00 1.04 C ATOM 0 H LEU A 451 -6.666 -19.082 -3.137 1.00 0.47 H new ATOM 0 HA LEU A 451 -5.554 -18.987 -0.491 1.00 0.47 H new ATOM 0 HB2 LEU A 451 -4.916 -18.159 -3.338 1.00 0.46 H new ATOM 0 HB3 LEU A 451 -3.907 -17.481 -2.076 1.00 0.46 H new ATOM 0 HG LEU A 451 -4.448 -20.409 -1.827 1.00 0.53 H new ATOM 0 HD11 LEU A 451 -2.763 -20.983 -3.555 1.00 0.92 H new ATOM 0 HD12 LEU A 451 -4.171 -20.171 -4.280 1.00 0.92 H new ATOM 0 HD13 LEU A 451 -2.658 -19.270 -4.022 1.00 0.92 H new ATOM 0 HD21 LEU A 451 -2.037 -20.394 -1.238 1.00 1.04 H new ATOM 0 HD22 LEU A 451 -1.934 -18.680 -1.705 1.00 1.04 H new ATOM 0 HD23 LEU A 451 -2.929 -19.164 -0.311 1.00 1.04 H new ATOM 1127 N LEU A 452 -6.878 -16.206 -1.480 1.00 0.42 N ATOM 1128 CA LEU A 452 -7.197 -14.827 -1.005 1.00 0.41 C ATOM 1129 C LEU A 452 -8.680 -14.722 -0.631 1.00 0.46 C ATOM 1130 O LEU A 452 -9.218 -13.641 -0.501 1.00 0.51 O ATOM 1131 CB LEU A 452 -6.886 -13.921 -2.197 1.00 0.37 C ATOM 1132 CG LEU A 452 -5.440 -14.138 -2.651 1.00 0.35 C ATOM 1133 CD1 LEU A 452 -5.282 -13.669 -4.098 1.00 0.31 C ATOM 1134 CD2 LEU A 452 -4.498 -13.335 -1.751 1.00 0.43 C ATOM 0 H LEU A 452 -7.357 -16.493 -2.333 1.00 0.42 H new ATOM 0 HA LEU A 452 -6.625 -14.554 -0.118 1.00 0.41 H new ATOM 0 HB2 LEU A 452 -7.570 -14.137 -3.017 1.00 0.37 H new ATOM 0 HB3 LEU A 452 -7.037 -12.877 -1.921 1.00 0.37 H new ATOM 0 HG LEU A 452 -5.194 -15.198 -2.584 1.00 0.35 H new ATOM 0 HD11 LEU A 452 -4.252 -13.824 -4.420 1.00 0.31 H new ATOM 0 HD12 LEU A 452 -5.953 -14.239 -4.741 1.00 0.31 H new ATOM 0 HD13 LEU A 452 -5.528 -12.609 -4.166 1.00 0.31 H new ATOM 0 HD21 LEU A 452 -3.468 -13.489 -2.073 1.00 0.43 H new ATOM 0 HD22 LEU A 452 -4.745 -12.276 -1.819 1.00 0.43 H new ATOM 0 HD23 LEU A 452 -4.609 -13.668 -0.719 1.00 0.43 H new ATOM 1146 N GLY A 453 -9.348 -15.833 -0.460 1.00 0.50 N ATOM 1147 CA GLY A 453 -10.795 -15.782 -0.100 1.00 0.56 C ATOM 1148 C GLY A 453 -11.540 -14.914 -1.115 1.00 0.58 C ATOM 1149 O GLY A 453 -12.397 -14.126 -0.768 1.00 0.68 O ATOM 0 H GLY A 453 -8.956 -16.770 -0.554 1.00 0.50 H new ATOM 0 HA2 GLY A 453 -11.214 -16.788 -0.088 1.00 0.56 H new ATOM 0 HA3 GLY A 453 -10.917 -15.374 0.903 1.00 0.56 H new ATOM 1153 N TRP A 454 -11.209 -15.050 -2.368 1.00 0.54 N ATOM 1154 CA TRP A 454 -11.884 -14.229 -3.414 1.00 0.60 C ATOM 1155 C TRP A 454 -12.794 -15.108 -4.277 1.00 0.68 C ATOM 1156 O TRP A 454 -13.998 -14.944 -4.296 1.00 1.16 O ATOM 1157 CB TRP A 454 -10.744 -13.654 -4.258 1.00 0.53 C ATOM 1158 CG TRP A 454 -10.273 -12.355 -3.676 1.00 0.53 C ATOM 1159 CD1 TRP A 454 -10.383 -11.992 -2.373 1.00 0.58 C ATOM 1160 CD2 TRP A 454 -9.615 -11.247 -4.354 1.00 0.50 C ATOM 1161 NE1 TRP A 454 -9.839 -10.730 -2.208 1.00 0.58 N ATOM 1162 CE2 TRP A 454 -9.349 -10.224 -3.396 1.00 0.52 C ATOM 1163 CE3 TRP A 454 -9.222 -11.025 -5.700 1.00 0.51 C ATOM 1164 CZ2 TRP A 454 -8.717 -9.022 -3.760 1.00 0.52 C ATOM 1165 CZ3 TRP A 454 -8.584 -9.816 -6.070 1.00 0.53 C ATOM 1166 CH2 TRP A 454 -8.332 -8.817 -5.101 1.00 0.52 C ATOM 0 H TRP A 454 -10.499 -15.695 -2.715 1.00 0.54 H new ATOM 0 HA TRP A 454 -12.512 -13.449 -2.983 1.00 0.60 H new ATOM 0 HB2 TRP A 454 -9.918 -14.364 -4.298 1.00 0.53 H new ATOM 0 HB3 TRP A 454 -11.082 -13.500 -5.283 1.00 0.53 H new ATOM 0 HD1 TRP A 454 -10.824 -12.592 -1.590 1.00 0.58 H new ATOM 0 HE1 TRP A 454 -9.804 -10.234 -1.317 1.00 0.58 H new ATOM 0 HE3 TRP A 454 -9.411 -11.783 -6.446 1.00 0.51 H new ATOM 0 HZ2 TRP A 454 -8.528 -8.261 -3.018 1.00 0.52 H new ATOM 0 HZ3 TRP A 454 -8.289 -9.656 -7.096 1.00 0.53 H new ATOM 0 HH2 TRP A 454 -7.845 -7.897 -5.388 1.00 0.52 H new ATOM 1177 N GLY A 455 -12.226 -16.035 -4.998 1.00 0.72 N ATOM 1178 CA GLY A 455 -13.054 -16.917 -5.867 1.00 0.72 C ATOM 1179 C GLY A 455 -12.694 -16.657 -7.331 1.00 0.70 C ATOM 1180 O GLY A 455 -11.771 -15.927 -7.629 1.00 0.64 O ATOM 0 H GLY A 455 -11.223 -16.220 -5.023 1.00 0.72 H new ATOM 0 HA2 GLY A 455 -12.879 -17.963 -5.617 1.00 0.72 H new ATOM 0 HA3 GLY A 455 -14.113 -16.722 -5.700 1.00 0.72 H new ATOM 1184 N ALA A 456 -13.413 -17.242 -8.247 1.00 0.77 N ATOM 1185 CA ALA A 456 -13.103 -17.015 -9.688 1.00 0.77 C ATOM 1186 C ALA A 456 -13.840 -15.771 -10.183 1.00 0.82 C ATOM 1187 O ALA A 456 -13.373 -15.065 -11.055 1.00 0.83 O ATOM 1188 CB ALA A 456 -13.610 -18.266 -10.406 1.00 0.84 C ATOM 0 H ALA A 456 -14.199 -17.865 -8.063 1.00 0.77 H new ATOM 0 HA ALA A 456 -12.040 -16.852 -9.868 1.00 0.77 H new ATOM 0 HB1 ALA A 456 -13.418 -18.175 -11.475 1.00 0.84 H new ATOM 0 HB2 ALA A 456 -13.093 -19.143 -10.018 1.00 0.84 H new ATOM 0 HB3 ALA A 456 -14.682 -18.373 -10.238 1.00 0.84 H new ATOM 1194 N ALA A 457 -14.986 -15.495 -9.627 1.00 0.90 N ATOM 1195 CA ALA A 457 -15.751 -14.292 -10.059 1.00 0.97 C ATOM 1196 C ALA A 457 -15.022 -13.025 -9.608 1.00 0.89 C ATOM 1197 O ALA A 457 -14.950 -12.049 -10.327 1.00 0.91 O ATOM 1198 CB ALA A 457 -17.107 -14.411 -9.361 1.00 1.08 C ATOM 0 H ALA A 457 -15.426 -16.050 -8.893 1.00 0.90 H new ATOM 0 HA ALA A 457 -15.859 -14.233 -11.142 1.00 0.97 H new ATOM 0 HB1 ALA A 457 -17.731 -13.558 -9.630 1.00 1.08 H new ATOM 0 HB2 ALA A 457 -17.598 -15.333 -9.674 1.00 1.08 H new ATOM 0 HB3 ALA A 457 -16.960 -14.427 -8.281 1.00 1.08 H new ATOM 1204 N THR A 458 -14.475 -13.037 -8.423 1.00 0.84 N ATOM 1205 CA THR A 458 -13.744 -11.837 -7.926 1.00 0.77 C ATOM 1206 C THR A 458 -12.412 -11.697 -8.667 1.00 0.68 C ATOM 1207 O THR A 458 -12.089 -10.651 -9.194 1.00 0.67 O ATOM 1208 CB THR A 458 -13.508 -12.103 -6.439 1.00 0.76 C ATOM 1209 OG1 THR A 458 -14.731 -12.494 -5.831 1.00 0.85 O ATOM 1210 CG2 THR A 458 -12.985 -10.833 -5.768 1.00 0.72 C ATOM 0 H THR A 458 -14.503 -13.826 -7.777 1.00 0.84 H new ATOM 0 HA THR A 458 -14.300 -10.913 -8.087 1.00 0.77 H new ATOM 0 HB THR A 458 -12.773 -12.900 -6.324 1.00 0.76 H new ATOM 0 HG1 THR A 458 -14.587 -13.304 -5.299 1.00 0.85 H new ATOM 0 HG21 THR A 458 -12.817 -11.024 -4.708 1.00 0.72 H new ATOM 0 HG22 THR A 458 -12.047 -10.534 -6.236 1.00 0.72 H new ATOM 0 HG23 THR A 458 -13.717 -10.034 -5.881 1.00 0.72 H new ATOM 1218 N LEU A 459 -11.638 -12.748 -8.719 1.00 0.64 N ATOM 1219 CA LEU A 459 -10.331 -12.676 -9.433 1.00 0.57 C ATOM 1220 C LEU A 459 -10.550 -12.190 -10.867 1.00 0.60 C ATOM 1221 O LEU A 459 -9.687 -11.582 -11.468 1.00 0.58 O ATOM 1222 CB LEU A 459 -9.795 -14.109 -9.422 1.00 0.56 C ATOM 1223 CG LEU A 459 -8.504 -14.166 -8.602 1.00 0.47 C ATOM 1224 CD1 LEU A 459 -8.370 -15.542 -7.955 1.00 0.48 C ATOM 1225 CD2 LEU A 459 -7.305 -13.923 -9.516 1.00 0.46 C ATOM 0 H LEU A 459 -11.854 -13.652 -8.298 1.00 0.64 H new ATOM 0 HA LEU A 459 -9.634 -11.982 -8.963 1.00 0.57 H new ATOM 0 HB2 LEU A 459 -10.538 -14.783 -8.997 1.00 0.56 H new ATOM 0 HB3 LEU A 459 -9.606 -14.445 -10.441 1.00 0.56 H new ATOM 0 HG LEU A 459 -8.536 -13.398 -7.829 1.00 0.47 H new ATOM 0 HD11 LEU A 459 -7.450 -15.582 -7.371 1.00 0.48 H new ATOM 0 HD12 LEU A 459 -9.223 -15.721 -7.301 1.00 0.48 H new ATOM 0 HD13 LEU A 459 -8.341 -16.307 -8.730 1.00 0.48 H new ATOM 0 HD21 LEU A 459 -6.387 -13.964 -8.930 1.00 0.46 H new ATOM 0 HD22 LEU A 459 -7.276 -14.690 -10.290 1.00 0.46 H new ATOM 0 HD23 LEU A 459 -7.395 -12.941 -9.981 1.00 0.46 H new ATOM 1237 N THR A 460 -11.706 -12.451 -11.418 1.00 0.68 N ATOM 1238 CA THR A 460 -11.988 -12.000 -12.810 1.00 0.74 C ATOM 1239 C THR A 460 -12.615 -10.604 -12.790 1.00 0.76 C ATOM 1240 O THR A 460 -12.165 -9.700 -13.468 1.00 0.75 O ATOM 1241 CB THR A 460 -12.978 -13.026 -13.366 1.00 0.83 C ATOM 1242 OG1 THR A 460 -12.347 -14.297 -13.438 1.00 0.82 O ATOM 1243 CG2 THR A 460 -13.432 -12.600 -14.762 1.00 0.92 C ATOM 0 H THR A 460 -12.466 -12.957 -10.963 1.00 0.68 H new ATOM 0 HA THR A 460 -11.085 -11.937 -13.418 1.00 0.74 H new ATOM 0 HB THR A 460 -13.846 -13.086 -12.709 1.00 0.83 H new ATOM 0 HG1 THR A 460 -12.568 -14.818 -12.638 1.00 0.82 H new ATOM 0 HG21 THR A 460 -14.137 -13.333 -15.155 1.00 0.92 H new ATOM 0 HG22 THR A 460 -13.916 -11.625 -14.705 1.00 0.92 H new ATOM 0 HG23 THR A 460 -12.567 -12.538 -15.423 1.00 0.92 H new ATOM 1251 N ALA A 461 -13.649 -10.418 -12.015 1.00 0.81 N ATOM 1252 CA ALA A 461 -14.299 -9.079 -11.950 1.00 0.85 C ATOM 1253 C ALA A 461 -13.306 -8.043 -11.415 1.00 0.79 C ATOM 1254 O ALA A 461 -13.301 -6.901 -11.830 1.00 0.83 O ATOM 1255 CB ALA A 461 -15.469 -9.253 -10.981 1.00 0.92 C ATOM 0 H ALA A 461 -14.071 -11.135 -11.425 1.00 0.81 H new ATOM 0 HA ALA A 461 -14.631 -8.729 -12.927 1.00 0.85 H new ATOM 0 HB1 ALA A 461 -16.001 -8.307 -10.879 1.00 0.92 H new ATOM 0 HB2 ALA A 461 -16.150 -10.012 -11.366 1.00 0.92 H new ATOM 0 HB3 ALA A 461 -15.092 -9.564 -10.007 1.00 0.92 H new ATOM 1261 N LYS A 462 -12.460 -8.437 -10.502 1.00 0.72 N ATOM 1262 CA LYS A 462 -11.463 -7.479 -9.946 1.00 0.68 C ATOM 1263 C LYS A 462 -10.443 -7.105 -11.024 1.00 0.66 C ATOM 1264 O LYS A 462 -9.818 -6.066 -10.969 1.00 0.67 O ATOM 1265 CB LYS A 462 -10.784 -8.232 -8.802 1.00 0.66 C ATOM 1266 CG LYS A 462 -10.020 -7.243 -7.919 1.00 0.99 C ATOM 1267 CD LYS A 462 -10.763 -7.063 -6.594 1.00 0.91 C ATOM 1268 CE LYS A 462 -10.515 -5.651 -6.058 1.00 1.31 C ATOM 1269 NZ LYS A 462 -10.921 -5.707 -4.625 1.00 1.39 N ATOM 0 H LYS A 462 -12.416 -9.381 -10.117 1.00 0.72 H new ATOM 0 HA LYS A 462 -11.923 -6.552 -9.604 1.00 0.68 H new ATOM 0 HB2 LYS A 462 -11.529 -8.763 -8.210 1.00 0.66 H new ATOM 0 HB3 LYS A 462 -10.101 -8.982 -9.201 1.00 0.66 H new ATOM 0 HG2 LYS A 462 -9.010 -7.609 -7.735 1.00 0.99 H new ATOM 0 HG3 LYS A 462 -9.924 -6.284 -8.428 1.00 0.99 H new ATOM 0 HD2 LYS A 462 -11.831 -7.226 -6.738 1.00 0.91 H new ATOM 0 HD3 LYS A 462 -10.422 -7.803 -5.870 1.00 0.91 H new ATOM 0 HE2 LYS A 462 -9.467 -5.368 -6.161 1.00 1.31 H new ATOM 0 HE3 LYS A 462 -11.100 -4.912 -6.606 1.00 1.31 H new ATOM 0 HZ1 LYS A 462 -10.780 -4.774 -4.187 1.00 1.39 H new ATOM 0 HZ2 LYS A 462 -11.924 -5.972 -4.559 1.00 1.39 H new ATOM 0 HZ3 LYS A 462 -10.342 -6.414 -4.128 1.00 1.39 H new ATOM 1283 N LEU A 463 -10.273 -7.948 -12.007 1.00 0.65 N ATOM 1284 CA LEU A 463 -9.294 -7.644 -13.091 1.00 0.65 C ATOM 1285 C LEU A 463 -9.720 -6.380 -13.844 1.00 0.68 C ATOM 1286 O LEU A 463 -8.925 -5.493 -14.086 1.00 0.70 O ATOM 1287 CB LEU A 463 -9.340 -8.861 -14.016 1.00 0.68 C ATOM 1288 CG LEU A 463 -8.319 -8.689 -15.140 1.00 0.81 C ATOM 1289 CD1 LEU A 463 -7.815 -10.062 -15.588 1.00 0.99 C ATOM 1290 CD2 LEU A 463 -8.982 -7.980 -16.323 1.00 0.99 C ATOM 0 H LEU A 463 -10.769 -8.834 -12.106 1.00 0.65 H new ATOM 0 HA LEU A 463 -8.290 -7.463 -12.706 1.00 0.65 H new ATOM 0 HB2 LEU A 463 -9.125 -9.768 -13.451 1.00 0.68 H new ATOM 0 HB3 LEU A 463 -10.340 -8.975 -14.434 1.00 0.68 H new ATOM 0 HG LEU A 463 -7.479 -8.094 -14.781 1.00 0.81 H new ATOM 0 HD11 LEU A 463 -7.087 -9.938 -16.390 1.00 0.99 H new ATOM 0 HD12 LEU A 463 -7.345 -10.570 -14.746 1.00 0.99 H new ATOM 0 HD13 LEU A 463 -8.654 -10.658 -15.948 1.00 0.99 H new ATOM 0 HD21 LEU A 463 -8.256 -7.856 -17.126 1.00 0.99 H new ATOM 0 HD22 LEU A 463 -9.821 -8.577 -16.681 1.00 0.99 H new ATOM 0 HD23 LEU A 463 -9.342 -7.002 -16.005 1.00 0.99 H new ATOM 1302 N LYS A 464 -10.967 -6.292 -14.214 1.00 0.72 N ATOM 1303 CA LYS A 464 -11.443 -5.086 -14.951 1.00 0.77 C ATOM 1304 C LYS A 464 -11.925 -4.020 -13.963 1.00 0.76 C ATOM 1305 O LYS A 464 -11.945 -2.843 -14.266 1.00 0.82 O ATOM 1306 CB LYS A 464 -12.603 -5.581 -15.815 1.00 0.85 C ATOM 1307 CG LYS A 464 -12.079 -5.981 -17.196 1.00 1.20 C ATOM 1308 CD LYS A 464 -12.858 -7.194 -17.707 1.00 1.62 C ATOM 1309 CE LYS A 464 -14.277 -6.767 -18.087 1.00 2.25 C ATOM 1310 NZ LYS A 464 -15.172 -7.626 -17.263 1.00 2.66 N ATOM 0 H LYS A 464 -11.678 -7.002 -14.038 1.00 0.72 H new ATOM 0 HA LYS A 464 -10.655 -4.630 -15.551 1.00 0.77 H new ATOM 0 HB2 LYS A 464 -13.088 -6.433 -15.338 1.00 0.85 H new ATOM 0 HB3 LYS A 464 -13.356 -4.799 -15.913 1.00 0.85 H new ATOM 0 HG2 LYS A 464 -12.185 -5.149 -17.892 1.00 1.20 H new ATOM 0 HG3 LYS A 464 -11.016 -6.216 -17.139 1.00 1.20 H new ATOM 0 HD2 LYS A 464 -12.353 -7.626 -18.571 1.00 1.62 H new ATOM 0 HD3 LYS A 464 -12.893 -7.967 -16.939 1.00 1.62 H new ATOM 0 HE2 LYS A 464 -14.441 -5.710 -17.876 1.00 2.25 H new ATOM 0 HE3 LYS A 464 -14.461 -6.912 -19.151 1.00 2.25 H new ATOM 0 HZ1 LYS A 464 -16.164 -7.391 -17.468 1.00 2.66 H new ATOM 0 HZ2 LYS A 464 -14.999 -8.626 -17.490 1.00 2.66 H new ATOM 0 HZ3 LYS A 464 -14.979 -7.461 -16.254 1.00 2.66 H new ATOM 1324 N GLU A 465 -12.316 -4.422 -12.785 1.00 0.73 N ATOM 1325 CA GLU A 465 -12.797 -3.431 -11.779 1.00 0.76 C ATOM 1326 C GLU A 465 -11.694 -2.415 -11.466 1.00 0.69 C ATOM 1327 O GLU A 465 -11.823 -1.239 -11.742 1.00 0.85 O ATOM 1328 CB GLU A 465 -13.133 -4.256 -10.537 1.00 0.79 C ATOM 1329 CG GLU A 465 -13.639 -3.330 -9.429 1.00 1.12 C ATOM 1330 CD GLU A 465 -14.842 -3.972 -8.736 1.00 1.42 C ATOM 1331 OE1 GLU A 465 -15.909 -3.976 -9.328 1.00 2.03 O ATOM 1332 OE2 GLU A 465 -14.676 -4.449 -7.626 1.00 1.95 O ATOM 0 H GLU A 465 -12.324 -5.394 -12.475 1.00 0.73 H new ATOM 0 HA GLU A 465 -13.657 -2.865 -12.137 1.00 0.76 H new ATOM 0 HB2 GLU A 465 -13.891 -5.001 -10.777 1.00 0.79 H new ATOM 0 HB3 GLU A 465 -12.250 -4.798 -10.198 1.00 0.79 H new ATOM 0 HG2 GLU A 465 -12.845 -3.144 -8.705 1.00 1.12 H new ATOM 0 HG3 GLU A 465 -13.920 -2.364 -9.848 1.00 1.12 H new ATOM 1339 N LEU A 466 -10.610 -2.859 -10.890 1.00 0.56 N ATOM 1340 CA LEU A 466 -9.502 -1.918 -10.559 1.00 0.59 C ATOM 1341 C LEU A 466 -9.101 -1.114 -11.799 1.00 0.70 C ATOM 1342 O LEU A 466 -8.748 0.047 -11.712 1.00 0.81 O ATOM 1343 CB LEU A 466 -8.346 -2.809 -10.105 1.00 0.56 C ATOM 1344 CG LEU A 466 -8.549 -3.210 -8.642 1.00 0.54 C ATOM 1345 CD1 LEU A 466 -7.672 -4.421 -8.319 1.00 0.62 C ATOM 1346 CD2 LEU A 466 -8.156 -2.042 -7.736 1.00 0.52 C ATOM 0 H LEU A 466 -10.444 -3.832 -10.634 1.00 0.56 H new ATOM 0 HA LEU A 466 -9.789 -1.199 -9.792 1.00 0.59 H new ATOM 0 HB2 LEU A 466 -8.292 -3.699 -10.732 1.00 0.56 H new ATOM 0 HB3 LEU A 466 -7.400 -2.280 -10.219 1.00 0.56 H new ATOM 0 HG LEU A 466 -9.596 -3.464 -8.476 1.00 0.54 H new ATOM 0 HD11 LEU A 466 -7.816 -4.707 -7.277 1.00 0.62 H new ATOM 0 HD12 LEU A 466 -7.949 -5.254 -8.966 1.00 0.62 H new ATOM 0 HD13 LEU A 466 -6.625 -4.166 -8.484 1.00 0.62 H new ATOM 0 HD21 LEU A 466 -8.300 -2.326 -6.693 1.00 0.52 H new ATOM 0 HD22 LEU A 466 -7.109 -1.789 -7.902 1.00 0.52 H new ATOM 0 HD23 LEU A 466 -8.779 -1.178 -7.966 1.00 0.52 H new ATOM 1358 N GLY A 467 -9.151 -1.721 -12.953 1.00 0.77 N ATOM 1359 CA GLY A 467 -8.773 -0.992 -14.197 1.00 0.97 C ATOM 1360 C GLY A 467 -9.852 0.038 -14.536 1.00 1.08 C ATOM 1361 O GLY A 467 -9.597 1.025 -15.197 1.00 1.38 O ATOM 0 H GLY A 467 -9.437 -2.691 -13.088 1.00 0.77 H new ATOM 0 HA2 GLY A 467 -7.812 -0.496 -14.062 1.00 0.97 H new ATOM 0 HA3 GLY A 467 -8.656 -1.695 -15.021 1.00 0.97 H new ATOM 1723 N TRP B 402 6.035 -1.451 4.143 1.00 0.95 N ATOM 1724 CA TRP B 402 4.699 -2.040 3.830 1.00 0.86 C ATOM 1725 C TRP B 402 4.811 -3.190 2.825 1.00 0.79 C ATOM 1726 O TRP B 402 4.602 -4.330 3.166 1.00 0.71 O ATOM 1727 CB TRP B 402 3.898 -0.891 3.230 1.00 0.96 C ATOM 1728 CG TRP B 402 2.544 -0.865 3.850 1.00 0.84 C ATOM 1729 CD1 TRP B 402 2.244 -0.262 5.021 1.00 0.94 C ATOM 1730 CD2 TRP B 402 1.309 -1.458 3.359 1.00 0.76 C ATOM 1731 NE1 TRP B 402 0.897 -0.443 5.287 1.00 1.00 N ATOM 1732 CE2 TRP B 402 0.273 -1.174 4.295 1.00 0.83 C ATOM 1733 CE3 TRP B 402 0.984 -2.212 2.202 1.00 0.78 C ATOM 1734 CZ2 TRP B 402 -1.046 -1.623 4.089 1.00 0.83 C ATOM 1735 CZ3 TRP B 402 -0.340 -2.665 1.991 1.00 0.72 C ATOM 1736 CH2 TRP B 402 -1.353 -2.371 2.934 1.00 0.69 C ATOM 0 HA TRP B 402 4.231 -2.461 4.720 1.00 0.86 H new ATOM 0 HB2 TRP B 402 4.410 0.055 3.404 1.00 0.96 H new ATOM 0 HB3 TRP B 402 3.815 -1.014 2.150 1.00 0.96 H new ATOM 0 HD1 TRP B 402 2.941 0.274 5.648 1.00 0.94 H new ATOM 0 HE1 TRP B 402 0.423 -0.081 6.115 1.00 1.00 H new ATOM 0 HE3 TRP B 402 1.752 -2.442 1.478 1.00 0.78 H new ATOM 0 HZ2 TRP B 402 -1.817 -1.396 4.811 1.00 0.83 H new ATOM 0 HZ3 TRP B 402 -0.578 -3.237 1.107 1.00 0.72 H new ATOM 0 HH2 TRP B 402 -2.362 -2.720 2.769 1.00 0.69 H new ATOM 1747 N ALA B 403 5.129 -2.901 1.591 1.00 0.85 N ATOM 1748 CA ALA B 403 5.240 -3.993 0.575 1.00 0.85 C ATOM 1749 C ALA B 403 6.100 -5.140 1.116 1.00 0.80 C ATOM 1750 O ALA B 403 5.726 -6.293 1.042 1.00 0.76 O ATOM 1751 CB ALA B 403 5.907 -3.343 -0.637 1.00 0.99 C ATOM 0 H ALA B 403 5.316 -1.961 1.242 1.00 0.85 H new ATOM 0 HA ALA B 403 4.269 -4.421 0.323 1.00 0.85 H new ATOM 0 HB1 ALA B 403 6.024 -4.083 -1.429 1.00 0.99 H new ATOM 0 HB2 ALA B 403 5.287 -2.522 -0.997 1.00 0.99 H new ATOM 0 HB3 ALA B 403 6.887 -2.960 -0.351 1.00 0.99 H new ATOM 1757 N THR B 404 7.240 -4.835 1.672 1.00 0.82 N ATOM 1758 CA THR B 404 8.100 -5.917 2.225 1.00 0.81 C ATOM 1759 C THR B 404 7.341 -6.650 3.332 1.00 0.70 C ATOM 1760 O THR B 404 7.444 -7.851 3.481 1.00 0.69 O ATOM 1761 CB THR B 404 9.331 -5.205 2.790 1.00 0.89 C ATOM 1762 OG1 THR B 404 9.904 -4.384 1.782 1.00 1.07 O ATOM 1763 CG2 THR B 404 10.356 -6.242 3.249 1.00 0.89 C ATOM 0 H THR B 404 7.611 -3.890 1.767 1.00 0.82 H new ATOM 0 HA THR B 404 8.380 -6.657 1.476 1.00 0.81 H new ATOM 0 HB THR B 404 9.037 -4.588 3.639 1.00 0.89 H new ATOM 0 HG1 THR B 404 10.692 -3.926 2.142 1.00 1.07 H new ATOM 0 HG21 THR B 404 11.232 -5.734 3.651 1.00 0.89 H new ATOM 0 HG22 THR B 404 9.915 -6.872 4.022 1.00 0.89 H new ATOM 0 HG23 THR B 404 10.652 -6.861 2.402 1.00 0.89 H new ATOM 1771 N LEU B 405 6.567 -5.933 4.102 1.00 0.67 N ATOM 1772 CA LEU B 405 5.786 -6.584 5.191 1.00 0.61 C ATOM 1773 C LEU B 405 4.599 -7.340 4.586 1.00 0.53 C ATOM 1774 O LEU B 405 4.064 -8.251 5.180 1.00 0.52 O ATOM 1775 CB LEU B 405 5.305 -5.423 6.078 1.00 0.67 C ATOM 1776 CG LEU B 405 4.613 -5.947 7.350 1.00 0.64 C ATOM 1777 CD1 LEU B 405 3.223 -6.485 7.000 1.00 0.57 C ATOM 1778 CD2 LEU B 405 5.449 -7.063 7.991 1.00 0.64 C ATOM 0 H LEU B 405 6.442 -4.924 4.023 1.00 0.67 H new ATOM 0 HA LEU B 405 6.370 -7.307 5.760 1.00 0.61 H new ATOM 0 HB2 LEU B 405 6.153 -4.796 6.354 1.00 0.67 H new ATOM 0 HB3 LEU B 405 4.613 -4.795 5.517 1.00 0.67 H new ATOM 0 HG LEU B 405 4.517 -5.125 8.059 1.00 0.64 H new ATOM 0 HD11 LEU B 405 2.738 -6.854 7.903 1.00 0.57 H new ATOM 0 HD12 LEU B 405 2.622 -5.686 6.566 1.00 0.57 H new ATOM 0 HD13 LEU B 405 3.318 -7.298 6.281 1.00 0.57 H new ATOM 0 HD21 LEU B 405 4.947 -7.423 8.889 1.00 0.64 H new ATOM 0 HD22 LEU B 405 5.562 -7.885 7.284 1.00 0.64 H new ATOM 0 HD23 LEU B 405 6.432 -6.675 8.256 1.00 0.64 H new ATOM 1790 N LEU B 406 4.188 -6.964 3.405 1.00 0.53 N ATOM 1791 CA LEU B 406 3.039 -7.649 2.752 1.00 0.50 C ATOM 1792 C LEU B 406 3.522 -8.913 2.038 1.00 0.49 C ATOM 1793 O LEU B 406 2.880 -9.945 2.080 1.00 0.45 O ATOM 1794 CB LEU B 406 2.493 -6.629 1.749 1.00 0.57 C ATOM 1795 CG LEU B 406 0.990 -6.848 1.563 1.00 0.59 C ATOM 1796 CD1 LEU B 406 0.273 -6.653 2.901 1.00 0.94 C ATOM 1797 CD2 LEU B 406 0.444 -5.840 0.549 1.00 1.02 C ATOM 0 H LEU B 406 4.603 -6.206 2.862 1.00 0.53 H new ATOM 0 HA LEU B 406 2.276 -7.962 3.465 1.00 0.50 H new ATOM 0 HB2 LEU B 406 2.682 -5.616 2.105 1.00 0.57 H new ATOM 0 HB3 LEU B 406 3.007 -6.732 0.793 1.00 0.57 H new ATOM 0 HG LEU B 406 0.819 -7.861 1.200 1.00 0.59 H new ATOM 0 HD11 LEU B 406 -0.797 -6.809 2.766 1.00 0.94 H new ATOM 0 HD12 LEU B 406 0.656 -7.370 3.627 1.00 0.94 H new ATOM 0 HD13 LEU B 406 0.449 -5.640 3.264 1.00 0.94 H new ATOM 0 HD21 LEU B 406 -0.627 -5.999 0.419 1.00 1.02 H new ATOM 0 HD22 LEU B 406 0.619 -4.827 0.912 1.00 1.02 H new ATOM 0 HD23 LEU B 406 0.950 -5.975 -0.407 1.00 1.02 H new ATOM 1809 N ALA B 407 4.651 -8.845 1.386 1.00 0.56 N ATOM 1810 CA ALA B 407 5.172 -10.049 0.678 1.00 0.59 C ATOM 1811 C ALA B 407 5.590 -11.108 1.700 1.00 0.57 C ATOM 1812 O ALA B 407 5.415 -12.292 1.490 1.00 0.61 O ATOM 1813 CB ALA B 407 6.386 -9.554 -0.110 1.00 0.70 C ATOM 0 H ALA B 407 5.233 -8.011 1.313 1.00 0.56 H new ATOM 0 HA ALA B 407 4.427 -10.505 0.026 1.00 0.59 H new ATOM 0 HB1 ALA B 407 6.827 -10.386 -0.660 1.00 0.70 H new ATOM 0 HB2 ALA B 407 6.074 -8.780 -0.811 1.00 0.70 H new ATOM 0 HB3 ALA B 407 7.124 -9.143 0.579 1.00 0.70 H new ATOM 1819 N GLN B 408 6.136 -10.689 2.809 1.00 0.57 N ATOM 1820 CA GLN B 408 6.559 -11.667 3.848 1.00 0.57 C ATOM 1821 C GLN B 408 5.344 -12.114 4.666 1.00 0.50 C ATOM 1822 O GLN B 408 5.217 -13.266 5.030 1.00 0.50 O ATOM 1823 CB GLN B 408 7.553 -10.909 4.725 1.00 0.62 C ATOM 1824 CG GLN B 408 8.888 -10.790 3.988 1.00 0.75 C ATOM 1825 CD GLN B 408 9.961 -11.580 4.741 1.00 0.78 C ATOM 1826 OE1 GLN B 408 10.598 -12.449 4.179 1.00 1.29 O ATOM 1827 NE2 GLN B 408 10.190 -11.312 5.997 1.00 1.46 N ATOM 0 H GLN B 408 6.307 -9.710 3.039 1.00 0.57 H new ATOM 0 HA GLN B 408 7.004 -12.565 3.420 1.00 0.57 H new ATOM 0 HB2 GLN B 408 7.165 -9.918 4.961 1.00 0.62 H new ATOM 0 HB3 GLN B 408 7.692 -11.431 5.672 1.00 0.62 H new ATOM 0 HG2 GLN B 408 8.789 -11.170 2.971 1.00 0.75 H new ATOM 0 HG3 GLN B 408 9.180 -9.743 3.910 1.00 0.75 H new ATOM 0 HE21 GLN B 408 9.655 -10.583 6.469 1.00 1.46 H new ATOM 0 HE22 GLN B 408 10.904 -11.832 6.507 1.00 1.46 H new ATOM 1836 N TRP B 409 4.446 -11.209 4.947 1.00 0.46 N ATOM 1837 CA TRP B 409 3.231 -11.577 5.730 1.00 0.43 C ATOM 1838 C TRP B 409 2.399 -12.592 4.938 1.00 0.40 C ATOM 1839 O TRP B 409 2.187 -13.709 5.367 1.00 0.41 O ATOM 1840 CB TRP B 409 2.476 -10.252 5.909 1.00 0.43 C ATOM 1841 CG TRP B 409 1.067 -10.498 6.355 1.00 0.42 C ATOM 1842 CD1 TRP B 409 0.705 -10.993 7.563 1.00 0.50 C ATOM 1843 CD2 TRP B 409 -0.166 -10.267 5.617 1.00 0.40 C ATOM 1844 NE1 TRP B 409 -0.677 -11.081 7.616 1.00 0.53 N ATOM 1845 CE2 TRP B 409 -1.264 -10.646 6.444 1.00 0.47 C ATOM 1846 CE3 TRP B 409 -0.445 -9.768 4.318 1.00 0.39 C ATOM 1847 CZ2 TRP B 409 -2.593 -10.534 5.997 1.00 0.50 C ATOM 1848 CZ3 TRP B 409 -1.780 -9.653 3.864 1.00 0.43 C ATOM 1849 CH2 TRP B 409 -2.853 -10.035 4.703 1.00 0.48 C ATOM 0 H TRP B 409 4.501 -10.229 4.668 1.00 0.46 H new ATOM 0 HA TRP B 409 3.459 -12.041 6.690 1.00 0.43 H new ATOM 0 HB2 TRP B 409 2.991 -9.631 6.642 1.00 0.43 H new ATOM 0 HB3 TRP B 409 2.473 -9.700 4.969 1.00 0.43 H new ATOM 0 HD1 TRP B 409 1.383 -11.273 8.356 1.00 0.50 H new ATOM 0 HE1 TRP B 409 -1.198 -11.425 8.423 1.00 0.53 H new ATOM 0 HE3 TRP B 409 0.368 -9.474 3.671 1.00 0.39 H new ATOM 0 HZ2 TRP B 409 -3.409 -10.828 6.640 1.00 0.50 H new ATOM 0 HZ3 TRP B 409 -1.981 -9.272 2.873 1.00 0.43 H new ATOM 0 HH2 TRP B 409 -3.871 -9.945 4.353 1.00 0.48 H new ATOM 1860 N ALA B 410 1.929 -12.210 3.783 1.00 0.42 N ATOM 1861 CA ALA B 410 1.113 -13.148 2.961 1.00 0.44 C ATOM 1862 C ALA B 410 1.869 -14.465 2.759 1.00 0.45 C ATOM 1863 O ALA B 410 1.278 -15.506 2.553 1.00 0.47 O ATOM 1864 CB ALA B 410 0.913 -12.429 1.628 1.00 0.51 C ATOM 0 H ALA B 410 2.075 -11.288 3.372 1.00 0.42 H new ATOM 0 HA ALA B 410 0.163 -13.399 3.434 1.00 0.44 H new ATOM 0 HB1 ALA B 410 0.319 -13.055 0.962 1.00 0.51 H new ATOM 0 HB2 ALA B 410 0.394 -11.486 1.798 1.00 0.51 H new ATOM 0 HB3 ALA B 410 1.883 -12.232 1.172 1.00 0.51 H new ATOM 1870 N ASP B 411 3.172 -14.426 2.820 1.00 0.48 N ATOM 1871 CA ASP B 411 3.964 -15.676 2.635 1.00 0.53 C ATOM 1872 C ASP B 411 3.959 -16.497 3.927 1.00 0.53 C ATOM 1873 O ASP B 411 3.744 -17.692 3.914 1.00 0.58 O ATOM 1874 CB ASP B 411 5.381 -15.204 2.306 1.00 0.60 C ATOM 1875 CG ASP B 411 6.289 -16.418 2.097 1.00 1.03 C ATOM 1876 OD1 ASP B 411 5.764 -17.483 1.817 1.00 1.51 O ATOM 1877 OD2 ASP B 411 7.493 -16.261 2.221 1.00 1.78 O ATOM 0 H ASP B 411 3.722 -13.584 2.990 1.00 0.48 H new ATOM 0 HA ASP B 411 3.555 -16.312 1.850 1.00 0.53 H new ATOM 0 HB2 ASP B 411 5.370 -14.586 1.408 1.00 0.60 H new ATOM 0 HB3 ASP B 411 5.766 -14.584 3.115 1.00 0.60 H new ATOM 1882 N ARG B 412 4.194 -15.862 5.044 1.00 0.52 N ATOM 1883 CA ARG B 412 4.200 -16.605 6.336 1.00 0.56 C ATOM 1884 C ARG B 412 2.845 -17.275 6.561 1.00 0.55 C ATOM 1885 O ARG B 412 2.759 -18.380 7.058 1.00 0.63 O ATOM 1886 CB ARG B 412 4.456 -15.541 7.404 1.00 0.58 C ATOM 1887 CG ARG B 412 4.634 -16.216 8.765 1.00 0.96 C ATOM 1888 CD ARG B 412 3.421 -15.914 9.649 1.00 1.50 C ATOM 1889 NE ARG B 412 3.454 -16.953 10.714 1.00 1.90 N ATOM 1890 CZ ARG B 412 3.757 -16.621 11.939 1.00 2.41 C ATOM 1891 NH1 ARG B 412 5.000 -16.390 12.264 1.00 2.89 N ATOM 1892 NH2 ARG B 412 2.818 -16.521 12.840 1.00 3.02 N ATOM 0 H ARG B 412 4.382 -14.862 5.117 1.00 0.52 H new ATOM 0 HA ARG B 412 4.953 -17.392 6.358 1.00 0.56 H new ATOM 0 HB2 ARG B 412 5.347 -14.965 7.153 1.00 0.58 H new ATOM 0 HB3 ARG B 412 3.623 -14.839 7.440 1.00 0.58 H new ATOM 0 HG2 ARG B 412 4.744 -17.293 8.637 1.00 0.96 H new ATOM 0 HG3 ARG B 412 5.545 -15.857 9.244 1.00 0.96 H new ATOM 0 HD2 ARG B 412 3.481 -14.912 10.073 1.00 1.50 H new ATOM 0 HD3 ARG B 412 2.494 -15.963 9.078 1.00 1.50 H new ATOM 0 HE ARG B 412 3.240 -17.924 10.487 1.00 1.90 H new ATOM 0 HH11 ARG B 412 5.734 -16.469 11.560 1.00 2.89 H new ATOM 0 HH12 ARG B 412 5.237 -16.130 13.222 1.00 2.89 H new ATOM 0 HH21 ARG B 412 1.847 -16.702 12.587 1.00 3.02 H new ATOM 0 HH22 ARG B 412 3.055 -16.261 13.797 1.00 3.02 H new ATOM 1906 N ALA B 413 1.786 -16.612 6.195 1.00 0.50 N ATOM 1907 CA ALA B 413 0.431 -17.205 6.380 1.00 0.53 C ATOM 1908 C ALA B 413 0.220 -18.347 5.383 1.00 0.57 C ATOM 1909 O ALA B 413 -0.332 -19.378 5.712 1.00 0.66 O ATOM 1910 CB ALA B 413 -0.543 -16.060 6.102 1.00 0.53 C ATOM 0 H ALA B 413 1.799 -15.683 5.775 1.00 0.50 H new ATOM 0 HA ALA B 413 0.291 -17.622 7.377 1.00 0.53 H new ATOM 0 HB1 ALA B 413 -1.566 -16.417 6.218 1.00 0.53 H new ATOM 0 HB2 ALA B 413 -0.360 -15.248 6.805 1.00 0.53 H new ATOM 0 HB3 ALA B 413 -0.398 -15.698 5.084 1.00 0.53 H new ATOM 1916 N LEU B 414 0.660 -18.171 4.168 1.00 0.54 N ATOM 1917 CA LEU B 414 0.489 -19.247 3.151 1.00 0.62 C ATOM 1918 C LEU B 414 1.237 -20.508 3.590 1.00 0.71 C ATOM 1919 O LEU B 414 0.749 -21.612 3.455 1.00 0.82 O ATOM 1920 CB LEU B 414 1.100 -18.682 1.867 1.00 0.63 C ATOM 1921 CG LEU B 414 0.027 -18.609 0.779 1.00 0.71 C ATOM 1922 CD1 LEU B 414 -0.991 -17.527 1.140 1.00 1.11 C ATOM 1923 CD2 LEU B 414 0.685 -18.264 -0.559 1.00 1.03 C ATOM 0 H LEU B 414 1.130 -17.329 3.835 1.00 0.54 H new ATOM 0 HA LEU B 414 -0.556 -19.526 3.015 1.00 0.62 H new ATOM 0 HB2 LEU B 414 1.512 -17.690 2.054 1.00 0.63 H new ATOM 0 HB3 LEU B 414 1.925 -19.313 1.537 1.00 0.63 H new ATOM 0 HG LEU B 414 -0.479 -19.571 0.700 1.00 0.71 H new ATOM 0 HD11 LEU B 414 -1.756 -17.474 0.365 1.00 1.11 H new ATOM 0 HD12 LEU B 414 -1.457 -17.770 2.095 1.00 1.11 H new ATOM 0 HD13 LEU B 414 -0.486 -16.564 1.218 1.00 1.11 H new ATOM 0 HD21 LEU B 414 -0.077 -18.211 -1.336 1.00 1.03 H new ATOM 0 HD22 LEU B 414 1.189 -17.301 -0.479 1.00 1.03 H new ATOM 0 HD23 LEU B 414 1.413 -19.034 -0.816 1.00 1.03 H new ATOM 1935 N ARG B 415 2.422 -20.351 4.117 1.00 0.73 N ATOM 1936 CA ARG B 415 3.202 -21.539 4.567 1.00 0.87 C ATOM 1937 C ARG B 415 2.533 -22.180 5.786 1.00 0.93 C ATOM 1938 O ARG B 415 2.757 -23.335 6.092 1.00 1.26 O ATOM 1939 CB ARG B 415 4.582 -20.990 4.935 1.00 1.02 C ATOM 1940 CG ARG B 415 5.305 -20.535 3.665 1.00 1.40 C ATOM 1941 CD ARG B 415 6.556 -21.389 3.457 1.00 1.61 C ATOM 1942 NE ARG B 415 6.690 -21.521 1.980 1.00 2.27 N ATOM 1943 CZ ARG B 415 5.890 -22.313 1.319 1.00 2.92 C ATOM 1944 NH1 ARG B 415 6.039 -23.608 1.399 1.00 3.70 N ATOM 1945 NH2 ARG B 415 4.942 -21.811 0.577 1.00 3.32 N ATOM 0 H ARG B 415 2.883 -19.452 4.255 1.00 0.73 H new ATOM 0 HA ARG B 415 3.263 -22.310 3.799 1.00 0.87 H new ATOM 0 HB2 ARG B 415 4.480 -20.154 5.627 1.00 1.02 H new ATOM 0 HB3 ARG B 415 5.166 -21.756 5.444 1.00 1.02 H new ATOM 0 HG2 ARG B 415 4.642 -20.626 2.804 1.00 1.40 H new ATOM 0 HG3 ARG B 415 5.579 -19.483 3.747 1.00 1.40 H new ATOM 0 HD2 ARG B 415 7.435 -20.914 3.892 1.00 1.61 H new ATOM 0 HD3 ARG B 415 6.452 -22.364 3.933 1.00 1.61 H new ATOM 0 HE ARG B 415 7.408 -20.992 1.484 1.00 2.27 H new ATOM 0 HH11 ARG B 415 6.781 -24.001 1.978 1.00 3.70 H new ATOM 0 HH12 ARG B 415 5.414 -24.226 0.882 1.00 3.70 H new ATOM 0 HH21 ARG B 415 4.826 -20.800 0.513 1.00 3.32 H new ATOM 0 HH22 ARG B 415 4.317 -22.430 0.060 1.00 3.32 H new ATOM 1959 N SER B 416 1.715 -21.441 6.484 1.00 0.90 N ATOM 1960 CA SER B 416 1.032 -22.011 7.681 1.00 0.99 C ATOM 1961 C SER B 416 -0.481 -21.805 7.573 1.00 0.99 C ATOM 1962 O SER B 416 -1.107 -21.256 8.458 1.00 1.63 O ATOM 1963 CB SER B 416 1.599 -21.234 8.867 1.00 1.20 C ATOM 1964 OG SER B 416 2.156 -22.147 9.804 1.00 1.70 O ATOM 0 H SER B 416 1.490 -20.468 6.278 1.00 0.90 H new ATOM 0 HA SER B 416 1.198 -23.083 7.782 1.00 0.99 H new ATOM 0 HB2 SER B 416 2.362 -20.534 8.527 1.00 1.20 H new ATOM 0 HB3 SER B 416 0.813 -20.644 9.339 1.00 1.20 H new ATOM 0 HG SER B 416 2.522 -21.651 10.566 1.00 1.70 H new ATOM 1970 N GLY B 417 -1.073 -22.241 6.496 1.00 1.06 N ATOM 1971 CA GLY B 417 -2.545 -22.069 6.332 1.00 1.06 C ATOM 1972 C GLY B 417 -2.897 -20.583 6.395 1.00 0.99 C ATOM 1973 O GLY B 417 -3.248 -20.062 7.435 1.00 1.31 O ATOM 0 H GLY B 417 -0.602 -22.709 5.722 1.00 1.06 H new ATOM 0 HA2 GLY B 417 -2.867 -22.489 5.379 1.00 1.06 H new ATOM 0 HA3 GLY B 417 -3.074 -22.612 7.115 1.00 1.06 H new ATOM 1977 N HIS B 418 -2.805 -19.892 5.291 1.00 0.78 N ATOM 1978 CA HIS B 418 -3.135 -18.438 5.292 1.00 0.88 C ATOM 1979 C HIS B 418 -4.590 -18.226 5.717 1.00 0.89 C ATOM 1980 O HIS B 418 -5.268 -19.147 6.129 1.00 1.17 O ATOM 1981 CB HIS B 418 -2.922 -17.977 3.848 1.00 1.01 C ATOM 1982 CG HIS B 418 -3.739 -18.828 2.914 1.00 1.69 C ATOM 1983 ND1 HIS B 418 -3.183 -19.871 2.190 1.00 2.18 N ATOM 1984 CD2 HIS B 418 -5.069 -18.802 2.574 1.00 2.31 C ATOM 1985 CE1 HIS B 418 -4.167 -20.424 1.457 1.00 2.86 C ATOM 1986 NE2 HIS B 418 -5.337 -19.810 1.654 1.00 2.97 N ATOM 0 H HIS B 418 -2.516 -20.271 4.389 1.00 0.78 H new ATOM 0 HA HIS B 418 -2.516 -17.876 5.991 1.00 0.88 H new ATOM 0 HB2 HIS B 418 -3.208 -16.930 3.745 1.00 1.01 H new ATOM 0 HB3 HIS B 418 -1.866 -18.046 3.587 1.00 1.01 H new ATOM 0 HD2 HIS B 418 -5.797 -18.105 2.962 1.00 2.31 H new ATOM 0 HE1 HIS B 418 -4.028 -21.262 0.790 1.00 2.86 H new ATOM 0 HE2 HIS B 418 -6.234 -20.033 1.222 1.00 2.97 H new ATOM 1994 N GLN B 419 -5.073 -17.019 5.621 1.00 1.08 N ATOM 1995 CA GLN B 419 -6.481 -16.743 6.021 1.00 1.24 C ATOM 1996 C GLN B 419 -7.000 -15.510 5.274 1.00 1.03 C ATOM 1997 O GLN B 419 -6.629 -15.262 4.144 1.00 1.28 O ATOM 1998 CB GLN B 419 -6.418 -16.480 7.526 1.00 1.71 C ATOM 1999 CG GLN B 419 -7.683 -17.023 8.195 1.00 2.32 C ATOM 2000 CD GLN B 419 -8.143 -16.052 9.284 1.00 2.91 C ATOM 2001 OE1 GLN B 419 -8.634 -14.980 8.991 1.00 3.29 O ATOM 2002 NE2 GLN B 419 -8.001 -16.383 10.538 1.00 3.52 N ATOM 0 H GLN B 419 -4.552 -16.210 5.282 1.00 1.08 H new ATOM 0 HA GLN B 419 -7.155 -17.566 5.784 1.00 1.24 H new ATOM 0 HB2 GLN B 419 -5.536 -16.957 7.952 1.00 1.71 H new ATOM 0 HB3 GLN B 419 -6.325 -15.411 7.715 1.00 1.71 H new ATOM 0 HG2 GLN B 419 -8.471 -17.154 7.454 1.00 2.32 H new ATOM 0 HG3 GLN B 419 -7.486 -18.004 8.628 1.00 2.32 H new ATOM 0 HE21 GLN B 419 -7.589 -17.283 10.784 1.00 3.52 H new ATOM 0 HE22 GLN B 419 -8.302 -15.742 11.272 1.00 3.52 H new ATOM 2011 N ASN B 420 -7.850 -14.733 5.891 1.00 0.78 N ATOM 2012 CA ASN B 420 -8.378 -13.519 5.206 1.00 0.70 C ATOM 2013 C ASN B 420 -7.225 -12.565 4.876 1.00 0.58 C ATOM 2014 O ASN B 420 -6.927 -11.655 5.623 1.00 0.70 O ATOM 2015 CB ASN B 420 -9.336 -12.881 6.213 1.00 0.86 C ATOM 2016 CG ASN B 420 -10.606 -13.728 6.314 1.00 1.35 C ATOM 2017 OD1 ASN B 420 -11.283 -13.949 5.330 1.00 1.96 O ATOM 2018 ND2 ASN B 420 -10.960 -14.214 7.472 1.00 1.87 N ATOM 0 H ASN B 420 -8.200 -14.886 6.837 1.00 0.78 H new ATOM 0 HA ASN B 420 -8.878 -13.754 4.266 1.00 0.70 H new ATOM 0 HB2 ASN B 420 -8.857 -12.806 7.189 1.00 0.86 H new ATOM 0 HB3 ASN B 420 -9.586 -11.867 5.901 1.00 0.86 H new ATOM 0 HD21 ASN B 420 -11.805 -14.780 7.551 1.00 1.87 H new ATOM 0 HD22 ASN B 420 -10.391 -14.028 8.298 1.00 1.87 H new ATOM 2025 N LEU B 421 -6.569 -12.773 3.767 1.00 0.45 N ATOM 2026 CA LEU B 421 -5.430 -11.886 3.394 1.00 0.40 C ATOM 2027 C LEU B 421 -5.942 -10.529 2.902 1.00 0.39 C ATOM 2028 O LEU B 421 -5.903 -9.545 3.613 1.00 0.53 O ATOM 2029 CB LEU B 421 -4.708 -12.624 2.265 1.00 0.42 C ATOM 2030 CG LEU B 421 -3.738 -13.648 2.858 1.00 0.39 C ATOM 2031 CD1 LEU B 421 -4.086 -15.042 2.333 1.00 0.50 C ATOM 2032 CD2 LEU B 421 -2.307 -13.296 2.445 1.00 0.41 C ATOM 0 H LEU B 421 -6.773 -13.519 3.102 1.00 0.45 H new ATOM 0 HA LEU B 421 -4.774 -11.686 4.241 1.00 0.40 H new ATOM 0 HB2 LEU B 421 -5.433 -13.124 1.622 1.00 0.42 H new ATOM 0 HB3 LEU B 421 -4.166 -11.913 1.641 1.00 0.42 H new ATOM 0 HG LEU B 421 -3.818 -13.635 3.945 1.00 0.39 H new ATOM 0 HD11 LEU B 421 -3.396 -15.772 2.755 1.00 0.50 H new ATOM 0 HD12 LEU B 421 -5.105 -15.296 2.624 1.00 0.50 H new ATOM 0 HD13 LEU B 421 -4.005 -15.052 1.246 1.00 0.50 H new ATOM 0 HD21 LEU B 421 -1.616 -14.026 2.868 1.00 0.41 H new ATOM 0 HD22 LEU B 421 -2.228 -13.309 1.358 1.00 0.41 H new ATOM 0 HD23 LEU B 421 -2.056 -12.302 2.815 1.00 0.41 H new ATOM 2044 N LEU B 422 -6.414 -10.470 1.687 1.00 0.33 N ATOM 2045 CA LEU B 422 -6.921 -9.180 1.139 1.00 0.34 C ATOM 2046 C LEU B 422 -7.896 -8.513 2.114 1.00 0.34 C ATOM 2047 O LEU B 422 -8.030 -7.306 2.143 1.00 0.37 O ATOM 2048 CB LEU B 422 -7.634 -9.577 -0.148 1.00 0.37 C ATOM 2049 CG LEU B 422 -6.632 -9.606 -1.305 1.00 0.38 C ATOM 2050 CD1 LEU B 422 -6.144 -8.186 -1.597 1.00 0.59 C ATOM 2051 CD2 LEU B 422 -5.433 -10.492 -0.944 1.00 0.63 C ATOM 0 H LEU B 422 -6.471 -11.263 1.048 1.00 0.33 H new ATOM 0 HA LEU B 422 -6.122 -8.458 0.972 1.00 0.34 H new ATOM 0 HB2 LEU B 422 -8.098 -10.557 -0.031 1.00 0.37 H new ATOM 0 HB3 LEU B 422 -8.434 -8.869 -0.365 1.00 0.37 H new ATOM 0 HG LEU B 422 -7.124 -10.014 -2.188 1.00 0.38 H new ATOM 0 HD11 LEU B 422 -5.431 -8.209 -2.421 1.00 0.59 H new ATOM 0 HD12 LEU B 422 -6.993 -7.558 -1.869 1.00 0.59 H new ATOM 0 HD13 LEU B 422 -5.660 -7.778 -0.710 1.00 0.59 H new ATOM 0 HD21 LEU B 422 -4.727 -10.505 -1.774 1.00 0.63 H new ATOM 0 HD22 LEU B 422 -4.941 -10.095 -0.056 1.00 0.63 H new ATOM 0 HD23 LEU B 422 -5.777 -11.507 -0.745 1.00 0.63 H new ATOM 2063 N SER B 423 -8.582 -9.288 2.905 1.00 0.35 N ATOM 2064 CA SER B 423 -9.555 -8.698 3.869 1.00 0.38 C ATOM 2065 C SER B 423 -8.821 -8.041 5.044 1.00 0.36 C ATOM 2066 O SER B 423 -9.386 -7.249 5.773 1.00 0.39 O ATOM 2067 CB SER B 423 -10.392 -9.878 4.356 1.00 0.44 C ATOM 2068 OG SER B 423 -11.641 -9.880 3.674 1.00 1.23 O ATOM 0 H SER B 423 -8.512 -10.305 2.927 1.00 0.35 H new ATOM 0 HA SER B 423 -10.166 -7.922 3.409 1.00 0.38 H new ATOM 0 HB2 SER B 423 -9.863 -10.814 4.174 1.00 0.44 H new ATOM 0 HB3 SER B 423 -10.552 -9.806 5.432 1.00 0.44 H new ATOM 0 HG SER B 423 -12.181 -10.637 3.983 1.00 1.23 H new ATOM 2074 N GLU B 424 -7.571 -8.361 5.238 1.00 0.34 N ATOM 2075 CA GLU B 424 -6.815 -7.751 6.370 1.00 0.36 C ATOM 2076 C GLU B 424 -6.166 -6.432 5.935 1.00 0.32 C ATOM 2077 O GLU B 424 -6.297 -5.420 6.593 1.00 0.33 O ATOM 2078 CB GLU B 424 -5.744 -8.782 6.730 1.00 0.38 C ATOM 2079 CG GLU B 424 -5.729 -8.990 8.245 1.00 0.57 C ATOM 2080 CD GLU B 424 -4.484 -9.785 8.640 1.00 0.81 C ATOM 2081 OE1 GLU B 424 -3.393 -9.316 8.361 1.00 1.22 O ATOM 2082 OE2 GLU B 424 -4.642 -10.851 9.213 1.00 1.54 O ATOM 0 H GLU B 424 -7.041 -9.017 4.664 1.00 0.34 H new ATOM 0 HA GLU B 424 -7.461 -7.518 7.216 1.00 0.36 H new ATOM 0 HB2 GLU B 424 -5.947 -9.726 6.224 1.00 0.38 H new ATOM 0 HB3 GLU B 424 -4.766 -8.442 6.389 1.00 0.38 H new ATOM 0 HG2 GLU B 424 -5.735 -8.027 8.755 1.00 0.57 H new ATOM 0 HG3 GLU B 424 -6.627 -9.522 8.558 1.00 0.57 H new ATOM 2089 N ALA B 425 -5.465 -6.438 4.834 1.00 0.31 N ATOM 2090 CA ALA B 425 -4.807 -5.183 4.363 1.00 0.29 C ATOM 2091 C ALA B 425 -5.836 -4.251 3.713 1.00 0.28 C ATOM 2092 O ALA B 425 -5.610 -3.065 3.572 1.00 0.28 O ATOM 2093 CB ALA B 425 -3.772 -5.644 3.335 1.00 0.29 C ATOM 0 H ALA B 425 -5.319 -7.255 4.241 1.00 0.31 H new ATOM 0 HA ALA B 425 -4.351 -4.624 5.180 1.00 0.29 H new ATOM 0 HB1 ALA B 425 -3.242 -4.778 2.939 1.00 0.29 H new ATOM 0 HB2 ALA B 425 -3.060 -6.318 3.812 1.00 0.29 H new ATOM 0 HB3 ALA B 425 -4.275 -6.165 2.521 1.00 0.29 H new ATOM 2099 N GLN B 426 -6.962 -4.778 3.315 1.00 0.30 N ATOM 2100 CA GLN B 426 -8.002 -3.923 2.673 1.00 0.31 C ATOM 2101 C GLN B 426 -8.295 -2.683 3.533 1.00 0.30 C ATOM 2102 O GLN B 426 -8.139 -1.569 3.073 1.00 0.30 O ATOM 2103 CB GLN B 426 -9.240 -4.816 2.572 1.00 0.36 C ATOM 2104 CG GLN B 426 -9.439 -5.252 1.119 1.00 0.45 C ATOM 2105 CD GLN B 426 -10.568 -6.281 1.046 1.00 0.53 C ATOM 2106 OE1 GLN B 426 -10.491 -7.233 0.294 1.00 1.23 O ATOM 2107 NE2 GLN B 426 -11.622 -6.130 1.800 1.00 1.09 N ATOM 0 H GLN B 426 -7.207 -5.764 3.407 1.00 0.30 H new ATOM 0 HA GLN B 426 -7.683 -3.553 1.698 1.00 0.31 H new ATOM 0 HB2 GLN B 426 -9.124 -5.690 3.212 1.00 0.36 H new ATOM 0 HB3 GLN B 426 -10.120 -4.277 2.925 1.00 0.36 H new ATOM 0 HG2 GLN B 426 -9.679 -4.389 0.499 1.00 0.45 H new ATOM 0 HG3 GLN B 426 -8.516 -5.680 0.727 1.00 0.45 H new ATOM 0 HE21 GLN B 426 -11.687 -5.331 2.431 1.00 1.09 H new ATOM 0 HE22 GLN B 426 -12.381 -6.811 1.758 1.00 1.09 H new ATOM 2116 N PRO B 427 -8.714 -2.908 4.757 1.00 0.32 N ATOM 2117 CA PRO B 427 -9.026 -1.777 5.670 1.00 0.34 C ATOM 2118 C PRO B 427 -7.752 -1.017 6.046 1.00 0.31 C ATOM 2119 O PRO B 427 -7.788 0.157 6.354 1.00 0.35 O ATOM 2120 CB PRO B 427 -9.640 -2.458 6.891 1.00 0.39 C ATOM 2121 CG PRO B 427 -9.102 -3.851 6.860 1.00 0.38 C ATOM 2122 CD PRO B 427 -8.934 -4.207 5.408 1.00 0.35 C ATOM 0 HA PRO B 427 -9.691 -1.039 5.222 1.00 0.34 H new ATOM 0 HB2 PRO B 427 -9.361 -1.946 7.812 1.00 0.39 H new ATOM 0 HB3 PRO B 427 -10.729 -2.453 6.841 1.00 0.39 H new ATOM 0 HG2 PRO B 427 -8.150 -3.912 7.388 1.00 0.38 H new ATOM 0 HG3 PRO B 427 -9.785 -4.543 7.353 1.00 0.38 H new ATOM 0 HD2 PRO B 427 -8.090 -4.880 5.255 1.00 0.35 H new ATOM 0 HD3 PRO B 427 -9.818 -4.709 5.013 1.00 0.35 H new ATOM 2130 N GLU B 428 -6.625 -1.674 6.022 1.00 0.29 N ATOM 2131 CA GLU B 428 -5.355 -0.981 6.379 1.00 0.29 C ATOM 2132 C GLU B 428 -5.092 0.170 5.403 1.00 0.27 C ATOM 2133 O GLU B 428 -4.890 1.302 5.800 1.00 0.32 O ATOM 2134 CB GLU B 428 -4.269 -2.050 6.255 1.00 0.29 C ATOM 2135 CG GLU B 428 -3.014 -1.589 7.000 1.00 0.71 C ATOM 2136 CD GLU B 428 -2.001 -2.735 7.050 1.00 1.36 C ATOM 2137 OE1 GLU B 428 -2.413 -3.853 7.314 1.00 2.07 O ATOM 2138 OE2 GLU B 428 -0.831 -2.474 6.826 1.00 2.11 O ATOM 0 H GLU B 428 -6.529 -2.658 5.771 1.00 0.29 H new ATOM 0 HA GLU B 428 -5.386 -0.550 7.380 1.00 0.29 H new ATOM 0 HB2 GLU B 428 -4.624 -2.994 6.668 1.00 0.29 H new ATOM 0 HB3 GLU B 428 -4.037 -2.228 5.205 1.00 0.29 H new ATOM 0 HG2 GLU B 428 -2.577 -0.725 6.499 1.00 0.71 H new ATOM 0 HG3 GLU B 428 -3.273 -1.274 8.011 1.00 0.71 H new ATOM 2145 N LEU B 429 -5.094 -0.110 4.128 1.00 0.25 N ATOM 2146 CA LEU B 429 -4.846 0.967 3.126 1.00 0.26 C ATOM 2147 C LEU B 429 -5.991 1.986 3.151 1.00 0.25 C ATOM 2148 O LEU B 429 -5.773 3.180 3.093 1.00 0.28 O ATOM 2149 CB LEU B 429 -4.792 0.241 1.777 1.00 0.26 C ATOM 2150 CG LEU B 429 -4.746 1.264 0.636 1.00 0.29 C ATOM 2151 CD1 LEU B 429 -3.490 1.040 -0.208 1.00 0.45 C ATOM 2152 CD2 LEU B 429 -5.986 1.098 -0.245 1.00 0.56 C ATOM 0 H LEU B 429 -5.257 -1.038 3.736 1.00 0.25 H new ATOM 0 HA LEU B 429 -3.929 1.521 3.327 1.00 0.26 H new ATOM 0 HB2 LEU B 429 -3.914 -0.403 1.736 1.00 0.26 H new ATOM 0 HB3 LEU B 429 -5.665 -0.403 1.665 1.00 0.26 H new ATOM 0 HG LEU B 429 -4.725 2.270 1.054 1.00 0.29 H new ATOM 0 HD11 LEU B 429 -3.461 1.769 -1.018 1.00 0.45 H new ATOM 0 HD12 LEU B 429 -2.605 1.158 0.418 1.00 0.45 H new ATOM 0 HD13 LEU B 429 -3.507 0.034 -0.626 1.00 0.45 H new ATOM 0 HD21 LEU B 429 -5.955 1.825 -1.057 1.00 0.56 H new ATOM 0 HD22 LEU B 429 -6.005 0.090 -0.660 1.00 0.56 H new ATOM 0 HD23 LEU B 429 -6.882 1.261 0.354 1.00 0.56 H new ATOM 2164 N GLU B 430 -7.208 1.524 3.230 1.00 0.26 N ATOM 2165 CA GLU B 430 -8.364 2.467 3.251 1.00 0.28 C ATOM 2166 C GLU B 430 -8.326 3.334 4.513 1.00 0.30 C ATOM 2167 O GLU B 430 -8.838 4.436 4.533 1.00 0.33 O ATOM 2168 CB GLU B 430 -9.603 1.572 3.250 1.00 0.30 C ATOM 2169 CG GLU B 430 -10.274 1.631 1.877 1.00 0.61 C ATOM 2170 CD GLU B 430 -9.794 0.457 1.021 1.00 1.45 C ATOM 2171 OE1 GLU B 430 -10.168 -0.663 1.327 1.00 2.17 O ATOM 2172 OE2 GLU B 430 -9.062 0.699 0.077 1.00 2.05 O ATOM 0 H GLU B 430 -7.453 0.535 3.281 1.00 0.26 H new ATOM 0 HA GLU B 430 -8.352 3.151 2.402 1.00 0.28 H new ATOM 0 HB2 GLU B 430 -9.323 0.545 3.486 1.00 0.30 H new ATOM 0 HB3 GLU B 430 -10.301 1.898 4.022 1.00 0.30 H new ATOM 0 HG2 GLU B 430 -11.358 1.594 1.989 1.00 0.61 H new ATOM 0 HG3 GLU B 430 -10.036 2.574 1.385 1.00 0.61 H new ATOM 2179 N ARG B 431 -7.730 2.848 5.567 1.00 0.33 N ATOM 2180 CA ARG B 431 -7.670 3.652 6.822 1.00 0.37 C ATOM 2181 C ARG B 431 -6.641 4.778 6.688 1.00 0.36 C ATOM 2182 O ARG B 431 -6.961 5.943 6.815 1.00 0.38 O ATOM 2183 CB ARG B 431 -7.241 2.665 7.909 1.00 0.41 C ATOM 2184 CG ARG B 431 -7.453 3.298 9.285 1.00 0.59 C ATOM 2185 CD ARG B 431 -6.362 2.818 10.243 1.00 1.32 C ATOM 2186 NE ARG B 431 -7.062 1.925 11.207 1.00 1.56 N ATOM 2187 CZ ARG B 431 -7.203 2.289 12.452 1.00 2.19 C ATOM 2188 NH1 ARG B 431 -6.194 2.201 13.276 1.00 2.87 N ATOM 2189 NH2 ARG B 431 -8.352 2.742 12.874 1.00 2.78 N ATOM 0 H ARG B 431 -7.283 1.932 5.614 1.00 0.33 H new ATOM 0 HA ARG B 431 -8.626 4.123 7.051 1.00 0.37 H new ATOM 0 HB2 ARG B 431 -7.819 1.744 7.828 1.00 0.41 H new ATOM 0 HB3 ARG B 431 -6.193 2.396 7.778 1.00 0.41 H new ATOM 0 HG2 ARG B 431 -7.428 4.385 9.204 1.00 0.59 H new ATOM 0 HG3 ARG B 431 -8.436 3.029 9.673 1.00 0.59 H new ATOM 0 HD2 ARG B 431 -5.575 2.284 9.710 1.00 1.32 H new ATOM 0 HD3 ARG B 431 -5.888 3.656 10.754 1.00 1.32 H new ATOM 0 HE ARG B 431 -7.432 1.028 10.894 1.00 1.56 H new ATOM 0 HH11 ARG B 431 -5.296 1.848 12.946 1.00 2.87 H new ATOM 0 HH12 ARG B 431 -6.304 2.486 14.249 1.00 2.87 H new ATOM 0 HH21 ARG B 431 -9.140 2.812 12.230 1.00 2.78 H new ATOM 0 HH22 ARG B 431 -8.462 3.026 13.847 1.00 2.78 H new ATOM 2203 N THR B 432 -5.405 4.439 6.434 1.00 0.41 N ATOM 2204 CA THR B 432 -4.352 5.490 6.297 1.00 0.45 C ATOM 2205 C THR B 432 -4.813 6.595 5.340 1.00 0.40 C ATOM 2206 O THR B 432 -4.687 7.768 5.627 1.00 0.56 O ATOM 2207 CB THR B 432 -3.136 4.759 5.725 1.00 0.53 C ATOM 2208 OG1 THR B 432 -2.835 3.635 6.540 1.00 0.61 O ATOM 2209 CG2 THR B 432 -1.937 5.707 5.695 1.00 0.62 C ATOM 0 H THR B 432 -5.078 3.480 6.315 1.00 0.41 H new ATOM 0 HA THR B 432 -4.131 5.973 7.249 1.00 0.45 H new ATOM 0 HB THR B 432 -3.356 4.424 4.711 1.00 0.53 H new ATOM 0 HG1 THR B 432 -2.057 3.164 6.174 1.00 0.61 H new ATOM 0 HG21 THR B 432 -1.071 5.186 5.287 1.00 0.62 H new ATOM 0 HG22 THR B 432 -2.170 6.568 5.069 1.00 0.62 H new ATOM 0 HG23 THR B 432 -1.714 6.044 6.707 1.00 0.62 H new ATOM 2217 N LEU B 433 -5.344 6.231 4.205 1.00 0.33 N ATOM 2218 CA LEU B 433 -5.809 7.264 3.236 1.00 0.30 C ATOM 2219 C LEU B 433 -7.010 8.023 3.805 1.00 0.27 C ATOM 2220 O LEU B 433 -7.120 9.225 3.662 1.00 0.25 O ATOM 2221 CB LEU B 433 -6.212 6.485 1.984 1.00 0.37 C ATOM 2222 CG LEU B 433 -5.704 7.217 0.741 1.00 0.42 C ATOM 2223 CD1 LEU B 433 -6.299 8.627 0.698 1.00 0.41 C ATOM 2224 CD2 LEU B 433 -4.178 7.313 0.796 1.00 0.44 C ATOM 0 H LEU B 433 -5.476 5.265 3.907 1.00 0.33 H new ATOM 0 HA LEU B 433 -5.038 8.004 3.024 1.00 0.30 H new ATOM 0 HB2 LEU B 433 -5.797 5.478 2.021 1.00 0.37 H new ATOM 0 HB3 LEU B 433 -7.296 6.382 1.940 1.00 0.37 H new ATOM 0 HG LEU B 433 -6.005 6.668 -0.151 1.00 0.42 H new ATOM 0 HD11 LEU B 433 -5.936 9.148 -0.188 1.00 0.41 H new ATOM 0 HD12 LEU B 433 -7.386 8.562 0.661 1.00 0.41 H new ATOM 0 HD13 LEU B 433 -5.998 9.176 1.590 1.00 0.41 H new ATOM 0 HD21 LEU B 433 -3.814 7.834 -0.089 1.00 0.44 H new ATOM 0 HD22 LEU B 433 -3.880 7.862 1.689 1.00 0.44 H new ATOM 0 HD23 LEU B 433 -3.751 6.310 0.828 1.00 0.44 H new ATOM 2236 N LEU B 434 -7.911 7.333 4.448 1.00 0.32 N ATOM 2237 CA LEU B 434 -9.103 8.018 5.024 1.00 0.32 C ATOM 2238 C LEU B 434 -8.665 9.081 6.034 1.00 0.29 C ATOM 2239 O LEU B 434 -9.136 10.199 6.016 1.00 0.30 O ATOM 2240 CB LEU B 434 -9.895 6.911 5.720 1.00 0.41 C ATOM 2241 CG LEU B 434 -11.112 7.517 6.422 1.00 0.65 C ATOM 2242 CD1 LEU B 434 -12.383 7.115 5.673 1.00 0.84 C ATOM 2243 CD2 LEU B 434 -11.180 6.996 7.859 1.00 1.14 C ATOM 0 H LEU B 434 -7.874 6.325 4.600 1.00 0.32 H new ATOM 0 HA LEU B 434 -9.695 8.528 4.264 1.00 0.32 H new ATOM 0 HB2 LEU B 434 -10.216 6.166 4.992 1.00 0.41 H new ATOM 0 HB3 LEU B 434 -9.263 6.397 6.444 1.00 0.41 H new ATOM 0 HG LEU B 434 -11.025 8.603 6.432 1.00 0.65 H new ATOM 0 HD11 LEU B 434 -13.251 7.546 6.172 1.00 0.84 H new ATOM 0 HD12 LEU B 434 -12.333 7.483 4.648 1.00 0.84 H new ATOM 0 HD13 LEU B 434 -12.472 6.029 5.664 1.00 0.84 H new ATOM 0 HD21 LEU B 434 -12.046 7.426 8.361 1.00 1.14 H new ATOM 0 HD22 LEU B 434 -11.269 5.910 7.848 1.00 1.14 H new ATOM 0 HD23 LEU B 434 -10.273 7.280 8.392 1.00 1.14 H new ATOM 2255 N THR B 435 -7.765 8.740 6.916 1.00 0.34 N ATOM 2256 CA THR B 435 -7.299 9.734 7.925 1.00 0.37 C ATOM 2257 C THR B 435 -6.573 10.889 7.231 1.00 0.35 C ATOM 2258 O THR B 435 -6.756 12.040 7.569 1.00 0.39 O ATOM 2259 CB THR B 435 -6.336 8.963 8.829 1.00 0.45 C ATOM 2260 OG1 THR B 435 -7.044 7.933 9.503 1.00 0.52 O ATOM 2261 CG2 THR B 435 -5.721 9.917 9.855 1.00 0.55 C ATOM 0 H THR B 435 -7.333 7.818 6.982 1.00 0.34 H new ATOM 0 HA THR B 435 -8.125 10.168 8.488 1.00 0.37 H new ATOM 0 HB THR B 435 -5.543 8.524 8.224 1.00 0.45 H new ATOM 0 HG1 THR B 435 -6.428 7.437 10.081 1.00 0.52 H new ATOM 0 HG21 THR B 435 -5.035 9.366 10.499 1.00 0.55 H new ATOM 0 HG22 THR B 435 -5.177 10.707 9.337 1.00 0.55 H new ATOM 0 HG23 THR B 435 -6.512 10.358 10.461 1.00 0.55 H new ATOM 2269 N THR B 436 -5.751 10.590 6.263 1.00 0.33 N ATOM 2270 CA THR B 436 -5.018 11.677 5.551 1.00 0.36 C ATOM 2271 C THR B 436 -6.014 12.647 4.911 1.00 0.36 C ATOM 2272 O THR B 436 -6.079 13.807 5.266 1.00 0.40 O ATOM 2273 CB THR B 436 -4.193 10.963 4.479 1.00 0.38 C ATOM 2274 OG1 THR B 436 -3.462 9.901 5.076 1.00 0.39 O ATOM 2275 CG2 THR B 436 -3.223 11.956 3.836 1.00 0.49 C ATOM 0 H THR B 436 -5.555 9.644 5.935 1.00 0.33 H new ATOM 0 HA THR B 436 -4.389 12.263 6.221 1.00 0.36 H new ATOM 0 HB THR B 436 -4.858 10.561 3.714 1.00 0.38 H new ATOM 0 HG1 THR B 436 -3.912 9.050 4.893 1.00 0.39 H new ATOM 0 HG21 THR B 436 -2.635 11.447 3.072 1.00 0.49 H new ATOM 0 HG22 THR B 436 -3.786 12.770 3.379 1.00 0.49 H new ATOM 0 HG23 THR B 436 -2.556 12.359 4.598 1.00 0.49 H new ATOM 2283 N ALA B 437 -6.796 12.181 3.975 1.00 0.34 N ATOM 2284 CA ALA B 437 -7.789 13.083 3.324 1.00 0.36 C ATOM 2285 C ALA B 437 -8.674 13.733 4.387 1.00 0.36 C ATOM 2286 O ALA B 437 -8.985 14.905 4.312 1.00 0.41 O ATOM 2287 CB ALA B 437 -8.611 12.177 2.406 1.00 0.35 C ATOM 0 H ALA B 437 -6.791 11.220 3.634 1.00 0.34 H new ATOM 0 HA ALA B 437 -7.317 13.892 2.767 1.00 0.36 H new ATOM 0 HB1 ALA B 437 -9.366 12.770 1.890 1.00 0.35 H new ATOM 0 HB2 ALA B 437 -7.954 11.709 1.673 1.00 0.35 H new ATOM 0 HB3 ALA B 437 -9.100 11.405 3.000 1.00 0.35 H new ATOM 2293 N LEU B 438 -9.074 12.992 5.387 1.00 0.34 N ATOM 2294 CA LEU B 438 -9.923 13.600 6.449 1.00 0.36 C ATOM 2295 C LEU B 438 -9.152 14.738 7.118 1.00 0.42 C ATOM 2296 O LEU B 438 -9.710 15.760 7.460 1.00 0.46 O ATOM 2297 CB LEU B 438 -10.214 12.480 7.456 1.00 0.36 C ATOM 2298 CG LEU B 438 -10.903 13.069 8.696 1.00 0.41 C ATOM 2299 CD1 LEU B 438 -12.141 13.869 8.277 1.00 0.42 C ATOM 2300 CD2 LEU B 438 -11.331 11.939 9.633 1.00 0.45 C ATOM 0 H LEU B 438 -8.852 12.004 5.513 1.00 0.34 H new ATOM 0 HA LEU B 438 -10.850 14.013 6.050 1.00 0.36 H new ATOM 0 HB2 LEU B 438 -10.851 11.723 6.999 1.00 0.36 H new ATOM 0 HB3 LEU B 438 -9.286 11.985 7.743 1.00 0.36 H new ATOM 0 HG LEU B 438 -10.202 13.727 9.209 1.00 0.41 H new ATOM 0 HD11 LEU B 438 -12.623 14.283 9.162 1.00 0.42 H new ATOM 0 HD12 LEU B 438 -11.842 14.681 7.613 1.00 0.42 H new ATOM 0 HD13 LEU B 438 -12.839 13.213 7.757 1.00 0.42 H new ATOM 0 HD21 LEU B 438 -11.819 12.360 10.512 1.00 0.45 H new ATOM 0 HD22 LEU B 438 -12.025 11.279 9.113 1.00 0.45 H new ATOM 0 HD23 LEU B 438 -10.454 11.371 9.943 1.00 0.45 H new ATOM 2312 N ARG B 439 -7.869 14.571 7.302 1.00 0.43 N ATOM 2313 CA ARG B 439 -7.063 15.652 7.938 1.00 0.50 C ATOM 2314 C ARG B 439 -7.332 16.973 7.217 1.00 0.54 C ATOM 2315 O ARG B 439 -7.445 18.018 7.827 1.00 0.60 O ATOM 2316 CB ARG B 439 -5.607 15.222 7.763 1.00 0.52 C ATOM 2317 CG ARG B 439 -4.742 15.904 8.824 1.00 0.77 C ATOM 2318 CD ARG B 439 -3.288 15.943 8.350 1.00 1.27 C ATOM 2319 NE ARG B 439 -2.503 16.355 9.546 1.00 1.73 N ATOM 2320 CZ ARG B 439 -1.389 17.019 9.397 1.00 2.28 C ATOM 2321 NH1 ARG B 439 -0.309 16.401 9.003 1.00 2.81 N ATOM 2322 NH2 ARG B 439 -1.356 18.300 9.644 1.00 2.89 N ATOM 0 H ARG B 439 -7.346 13.735 7.040 1.00 0.43 H new ATOM 0 HA ARG B 439 -7.308 15.800 8.990 1.00 0.50 H new ATOM 0 HB2 ARG B 439 -5.524 14.139 7.852 1.00 0.52 H new ATOM 0 HB3 ARG B 439 -5.256 15.488 6.766 1.00 0.52 H new ATOM 0 HG2 ARG B 439 -5.103 16.916 9.007 1.00 0.77 H new ATOM 0 HG3 ARG B 439 -4.813 15.364 9.768 1.00 0.77 H new ATOM 0 HD2 ARG B 439 -2.966 14.968 7.983 1.00 1.27 H new ATOM 0 HD3 ARG B 439 -3.159 16.650 7.531 1.00 1.27 H new ATOM 0 HE ARG B 439 -2.835 16.119 10.481 1.00 1.73 H new ATOM 0 HH11 ARG B 439 -0.336 15.399 8.812 1.00 2.81 H new ATOM 0 HH12 ARG B 439 0.562 16.920 8.886 1.00 2.81 H new ATOM 0 HH21 ARG B 439 -2.200 18.782 9.953 1.00 2.89 H new ATOM 0 HH22 ARG B 439 -0.486 18.820 9.528 1.00 2.89 H new ATOM 2336 N HIS B 440 -7.465 16.925 5.919 1.00 0.52 N ATOM 2337 CA HIS B 440 -7.762 18.168 5.157 1.00 0.57 C ATOM 2338 C HIS B 440 -9.114 18.714 5.621 1.00 0.58 C ATOM 2339 O HIS B 440 -9.365 19.902 5.597 1.00 0.64 O ATOM 2340 CB HIS B 440 -7.826 17.731 3.693 1.00 0.55 C ATOM 2341 CG HIS B 440 -8.105 18.929 2.826 1.00 0.63 C ATOM 2342 ND1 HIS B 440 -8.843 19.080 1.678 1.00 1.04 N flip ATOM 2343 CD2 HIS B 440 -7.591 20.184 3.114 1.00 0.82 C flip ATOM 2344 CE1 HIS B 440 -8.790 20.406 1.259 1.00 0.97 C flip ATOM 2345 NE2 HIS B 440 -8.023 21.028 2.159 1.00 0.75 N flip ATOM 0 H HIS B 440 -7.381 16.079 5.355 1.00 0.52 H new ATOM 0 HA HIS B 440 -7.018 18.951 5.303 1.00 0.57 H new ATOM 0 HB2 HIS B 440 -6.885 17.267 3.399 1.00 0.55 H new ATOM 0 HB3 HIS B 440 -8.606 16.982 3.559 1.00 0.55 H new ATOM 0 HD2 HIS B 440 -6.959 20.438 3.952 1.00 0.82 H new ATOM 0 HE1 HIS B 440 -9.267 20.839 0.392 1.00 0.97 H new ATOM 0 HE2 HIS B 440 -7.793 22.021 2.126 1.00 0.75 H new ATOM 2353 N THR B 441 -9.978 17.838 6.060 1.00 0.53 N ATOM 2354 CA THR B 441 -11.319 18.266 6.553 1.00 0.55 C ATOM 2355 C THR B 441 -11.574 17.616 7.917 1.00 0.56 C ATOM 2356 O THR B 441 -12.609 17.023 8.148 1.00 0.55 O ATOM 2357 CB THR B 441 -12.324 17.748 5.517 1.00 0.53 C ATOM 2358 OG1 THR B 441 -12.403 16.332 5.605 1.00 0.48 O ATOM 2359 CG2 THR B 441 -11.881 18.147 4.107 1.00 0.54 C ATOM 0 H THR B 441 -9.809 16.833 6.098 1.00 0.53 H new ATOM 0 HA THR B 441 -11.399 19.347 6.672 1.00 0.55 H new ATOM 0 HB THR B 441 -13.302 18.186 5.719 1.00 0.53 H new ATOM 0 HG1 THR B 441 -12.856 16.081 6.437 1.00 0.48 H new ATOM 0 HG21 THR B 441 -12.602 17.774 3.380 1.00 0.54 H new ATOM 0 HG22 THR B 441 -11.824 19.233 4.037 1.00 0.54 H new ATOM 0 HG23 THR B 441 -10.901 17.718 3.899 1.00 0.54 H new ATOM 2367 N GLN B 442 -10.617 17.707 8.809 1.00 0.59 N ATOM 2368 CA GLN B 442 -10.760 17.084 10.162 1.00 0.62 C ATOM 2369 C GLN B 442 -12.163 17.298 10.740 1.00 0.64 C ATOM 2370 O GLN B 442 -12.623 18.412 10.891 1.00 0.69 O ATOM 2371 CB GLN B 442 -9.716 17.788 11.030 1.00 0.69 C ATOM 2372 CG GLN B 442 -8.639 16.783 11.447 1.00 1.43 C ATOM 2373 CD GLN B 442 -8.934 16.274 12.859 1.00 1.79 C ATOM 2374 OE1 GLN B 442 -8.143 16.460 13.762 1.00 2.16 O ATOM 2375 NE2 GLN B 442 -10.047 15.633 13.088 1.00 2.47 N ATOM 0 H GLN B 442 -9.733 18.192 8.655 1.00 0.59 H new ATOM 0 HA GLN B 442 -10.614 16.005 10.119 1.00 0.62 H new ATOM 0 HB2 GLN B 442 -9.265 18.613 10.478 1.00 0.69 H new ATOM 0 HB3 GLN B 442 -10.190 18.217 11.913 1.00 0.69 H new ATOM 0 HG2 GLN B 442 -8.615 15.949 10.746 1.00 1.43 H new ATOM 0 HG3 GLN B 442 -7.656 17.254 11.417 1.00 1.43 H new ATOM 0 HE21 GLN B 442 -10.711 15.477 12.330 1.00 2.47 H new ATOM 0 HE22 GLN B 442 -10.253 15.288 14.025 1.00 2.47 H new ATOM 2384 N GLY B 443 -12.841 16.231 11.065 1.00 0.63 N ATOM 2385 CA GLY B 443 -14.211 16.358 11.636 1.00 0.66 C ATOM 2386 C GLY B 443 -15.242 16.334 10.507 1.00 0.64 C ATOM 2387 O GLY B 443 -16.269 15.693 10.607 1.00 0.66 O ATOM 0 H GLY B 443 -12.504 15.274 10.959 1.00 0.63 H new ATOM 0 HA2 GLY B 443 -14.402 15.543 12.334 1.00 0.66 H new ATOM 0 HA3 GLY B 443 -14.296 17.287 12.200 1.00 0.66 H new ATOM 2391 N HIS B 444 -14.980 17.027 9.431 1.00 0.62 N ATOM 2392 CA HIS B 444 -15.950 17.037 8.298 1.00 0.62 C ATOM 2393 C HIS B 444 -16.301 15.604 7.894 1.00 0.67 C ATOM 2394 O HIS B 444 -17.455 15.260 7.743 1.00 1.34 O ATOM 2395 CB HIS B 444 -15.222 17.754 7.160 1.00 0.63 C ATOM 2396 CG HIS B 444 -16.196 18.617 6.408 1.00 0.95 C ATOM 2397 ND1 HIS B 444 -16.003 19.980 6.243 1.00 1.52 N ATOM 2398 CD2 HIS B 444 -17.377 18.326 5.770 1.00 1.62 C ATOM 2399 CE1 HIS B 444 -17.043 20.454 5.532 1.00 1.77 C ATOM 2400 NE2 HIS B 444 -17.910 19.487 5.218 1.00 1.86 N ATOM 0 H HIS B 444 -14.138 17.585 9.288 1.00 0.62 H new ATOM 0 HA HIS B 444 -16.886 17.532 8.557 1.00 0.62 H new ATOM 0 HB2 HIS B 444 -14.412 18.364 7.560 1.00 0.63 H new ATOM 0 HB3 HIS B 444 -14.770 17.025 6.487 1.00 0.63 H new ATOM 0 HD2 HIS B 444 -17.824 17.345 5.706 1.00 1.62 H new ATOM 0 HE1 HIS B 444 -17.162 21.490 5.250 1.00 1.77 H new ATOM 0 HE2 HIS B 444 -18.776 19.580 4.688 1.00 1.86 H new ATOM 2408 N LYS B 445 -15.309 14.763 7.728 1.00 0.62 N ATOM 2409 CA LYS B 445 -15.566 13.340 7.336 1.00 0.51 C ATOM 2410 C LYS B 445 -16.219 13.271 5.950 1.00 0.51 C ATOM 2411 O LYS B 445 -15.595 12.891 4.979 1.00 0.57 O ATOM 2412 CB LYS B 445 -16.510 12.778 8.404 1.00 0.62 C ATOM 2413 CG LYS B 445 -15.926 11.484 8.971 1.00 1.31 C ATOM 2414 CD LYS B 445 -16.946 10.831 9.907 1.00 1.56 C ATOM 2415 CE LYS B 445 -16.289 9.665 10.648 1.00 2.23 C ATOM 2416 NZ LYS B 445 -16.276 8.546 9.666 1.00 2.52 N ATOM 0 H LYS B 445 -14.325 15.003 7.848 1.00 0.62 H new ATOM 0 HA LYS B 445 -14.640 12.768 7.278 1.00 0.51 H new ATOM 0 HB2 LYS B 445 -16.649 13.507 9.202 1.00 0.62 H new ATOM 0 HB3 LYS B 445 -17.493 12.587 7.972 1.00 0.62 H new ATOM 0 HG2 LYS B 445 -15.671 10.801 8.160 1.00 1.31 H new ATOM 0 HG3 LYS B 445 -15.003 11.695 9.512 1.00 1.31 H new ATOM 0 HD2 LYS B 445 -17.321 11.564 10.621 1.00 1.56 H new ATOM 0 HD3 LYS B 445 -17.803 10.475 9.336 1.00 1.56 H new ATOM 0 HE2 LYS B 445 -15.279 9.920 10.970 1.00 2.23 H new ATOM 0 HE3 LYS B 445 -16.851 9.399 11.543 1.00 2.23 H new ATOM 0 HZ1 LYS B 445 -16.760 7.721 10.074 1.00 2.52 H new ATOM 0 HZ2 LYS B 445 -16.767 8.841 8.798 1.00 2.52 H new ATOM 0 HZ3 LYS B 445 -15.293 8.294 9.440 1.00 2.52 H new ATOM 2430 N GLN B 446 -17.470 13.634 5.853 1.00 0.53 N ATOM 2431 CA GLN B 446 -18.169 13.591 4.533 1.00 0.56 C ATOM 2432 C GLN B 446 -17.311 14.249 3.447 1.00 0.52 C ATOM 2433 O GLN B 446 -17.244 13.783 2.328 1.00 0.51 O ATOM 2434 CB GLN B 446 -19.459 14.384 4.747 1.00 0.64 C ATOM 2435 CG GLN B 446 -20.551 13.449 5.273 1.00 1.11 C ATOM 2436 CD GLN B 446 -20.986 13.904 6.667 1.00 1.79 C ATOM 2437 OE1 GLN B 446 -20.482 13.421 7.661 1.00 2.45 O ATOM 2438 NE2 GLN B 446 -21.908 14.820 6.783 1.00 2.40 N ATOM 0 H GLN B 446 -18.041 13.960 6.633 1.00 0.53 H new ATOM 0 HA GLN B 446 -18.362 12.570 4.204 1.00 0.56 H new ATOM 0 HB2 GLN B 446 -19.287 15.195 5.455 1.00 0.64 H new ATOM 0 HB3 GLN B 446 -19.777 14.841 3.810 1.00 0.64 H new ATOM 0 HG2 GLN B 446 -21.405 13.452 4.595 1.00 1.11 H new ATOM 0 HG3 GLN B 446 -20.179 12.425 5.313 1.00 1.11 H new ATOM 0 HE21 GLN B 446 -22.331 15.226 5.949 1.00 2.40 H new ATOM 0 HE22 GLN B 446 -22.205 15.130 7.708 1.00 2.40 H new ATOM 2447 N GLU B 447 -16.649 15.326 3.772 1.00 0.52 N ATOM 2448 CA GLU B 447 -15.791 16.007 2.758 1.00 0.51 C ATOM 2449 C GLU B 447 -14.819 15.003 2.137 1.00 0.45 C ATOM 2450 O GLU B 447 -14.543 15.041 0.955 1.00 0.45 O ATOM 2451 CB GLU B 447 -15.031 17.081 3.537 1.00 0.53 C ATOM 2452 CG GLU B 447 -15.405 18.464 2.997 1.00 0.80 C ATOM 2453 CD GLU B 447 -14.896 18.604 1.560 1.00 1.32 C ATOM 2454 OE1 GLU B 447 -13.841 18.065 1.271 1.00 1.96 O ATOM 2455 OE2 GLU B 447 -15.572 19.247 0.774 1.00 2.14 O ATOM 0 H GLU B 447 -16.664 15.764 4.693 1.00 0.52 H new ATOM 0 HA GLU B 447 -16.373 16.435 1.942 1.00 0.51 H new ATOM 0 HB2 GLU B 447 -15.273 17.015 4.598 1.00 0.53 H new ATOM 0 HB3 GLU B 447 -13.957 16.921 3.444 1.00 0.53 H new ATOM 0 HG2 GLU B 447 -16.486 18.598 3.026 1.00 0.80 H new ATOM 0 HG3 GLU B 447 -14.971 19.242 3.626 1.00 0.80 H new ATOM 2462 N ALA B 448 -14.303 14.099 2.925 1.00 0.43 N ATOM 2463 CA ALA B 448 -13.357 13.088 2.373 1.00 0.39 C ATOM 2464 C ALA B 448 -14.006 12.360 1.194 1.00 0.40 C ATOM 2465 O ALA B 448 -13.335 11.807 0.345 1.00 0.40 O ATOM 2466 CB ALA B 448 -13.093 12.120 3.527 1.00 0.39 C ATOM 0 H ALA B 448 -14.495 14.017 3.923 1.00 0.43 H new ATOM 0 HA ALA B 448 -12.434 13.536 2.004 1.00 0.39 H new ATOM 0 HB1 ALA B 448 -12.403 11.343 3.199 1.00 0.39 H new ATOM 0 HB2 ALA B 448 -12.656 12.663 4.365 1.00 0.39 H new ATOM 0 HB3 ALA B 448 -14.032 11.663 3.840 1.00 0.39 H new ATOM 2472 N ALA B 449 -15.310 12.359 1.136 1.00 0.44 N ATOM 2473 CA ALA B 449 -16.011 11.672 0.014 1.00 0.47 C ATOM 2474 C ALA B 449 -15.481 12.177 -1.331 1.00 0.48 C ATOM 2475 O ALA B 449 -14.857 11.450 -2.078 1.00 0.49 O ATOM 2476 CB ALA B 449 -17.482 12.058 0.179 1.00 0.52 C ATOM 0 H ALA B 449 -15.922 12.806 1.819 1.00 0.44 H new ATOM 0 HA ALA B 449 -15.861 10.593 0.032 1.00 0.47 H new ATOM 0 HB1 ALA B 449 -18.071 11.592 -0.611 1.00 0.52 H new ATOM 0 HB2 ALA B 449 -17.841 11.716 1.150 1.00 0.52 H new ATOM 0 HB3 ALA B 449 -17.583 13.141 0.116 1.00 0.52 H new ATOM 2482 N ARG B 450 -15.731 13.419 -1.641 1.00 0.49 N ATOM 2483 CA ARG B 450 -15.252 13.981 -2.935 1.00 0.52 C ATOM 2484 C ARG B 450 -13.723 13.957 -2.994 1.00 0.49 C ATOM 2485 O ARG B 450 -13.135 13.718 -4.030 1.00 0.50 O ATOM 2486 CB ARG B 450 -15.765 15.422 -2.948 1.00 0.57 C ATOM 2487 CG ARG B 450 -15.949 15.888 -4.394 1.00 0.78 C ATOM 2488 CD ARG B 450 -17.425 16.202 -4.645 1.00 1.37 C ATOM 2489 NE ARG B 450 -17.418 17.409 -5.517 1.00 1.76 N ATOM 2490 CZ ARG B 450 -17.728 17.303 -6.781 1.00 2.35 C ATOM 2491 NH1 ARG B 450 -16.817 16.958 -7.649 1.00 2.97 N ATOM 2492 NH2 ARG B 450 -18.949 17.541 -7.175 1.00 2.93 N ATOM 0 H ARG B 450 -16.248 14.071 -1.052 1.00 0.49 H new ATOM 0 HA ARG B 450 -15.609 13.409 -3.791 1.00 0.52 H new ATOM 0 HB2 ARG B 450 -16.711 15.487 -2.411 1.00 0.57 H new ATOM 0 HB3 ARG B 450 -15.061 16.074 -2.432 1.00 0.57 H new ATOM 0 HG2 ARG B 450 -15.341 16.773 -4.582 1.00 0.78 H new ATOM 0 HG3 ARG B 450 -15.609 15.115 -5.083 1.00 0.78 H new ATOM 0 HD2 ARG B 450 -17.929 15.367 -5.131 1.00 1.37 H new ATOM 0 HD3 ARG B 450 -17.953 16.393 -3.711 1.00 1.37 H new ATOM 0 HE ARG B 450 -17.171 18.319 -5.127 1.00 1.76 H new ATOM 0 HH11 ARG B 450 -15.863 16.771 -7.340 1.00 2.97 H new ATOM 0 HH12 ARG B 450 -17.059 16.875 -8.636 1.00 2.97 H new ATOM 0 HH21 ARG B 450 -19.661 17.810 -6.496 1.00 2.93 H new ATOM 0 HH22 ARG B 450 -19.192 17.458 -8.162 1.00 2.93 H new ATOM 2506 N LEU B 451 -13.075 14.205 -1.890 1.00 0.48 N ATOM 2507 CA LEU B 451 -11.585 14.200 -1.881 1.00 0.47 C ATOM 2508 C LEU B 451 -11.052 12.844 -2.349 1.00 0.44 C ATOM 2509 O LEU B 451 -9.950 12.740 -2.851 1.00 0.48 O ATOM 2510 CB LEU B 451 -11.200 14.454 -0.424 1.00 0.46 C ATOM 2511 CG LEU B 451 -10.986 15.952 -0.208 1.00 0.53 C ATOM 2512 CD1 LEU B 451 -11.521 16.352 1.168 1.00 0.92 C ATOM 2513 CD2 LEU B 451 -9.492 16.271 -0.288 1.00 1.04 C ATOM 0 H LEU B 451 -13.513 14.411 -0.992 1.00 0.48 H new ATOM 0 HA LEU B 451 -11.167 14.950 -2.552 1.00 0.47 H new ATOM 0 HB2 LEU B 451 -11.984 14.088 0.240 1.00 0.46 H new ATOM 0 HB3 LEU B 451 -10.291 13.906 -0.176 1.00 0.46 H new ATOM 0 HG LEU B 451 -11.518 16.509 -0.979 1.00 0.53 H new ATOM 0 HD11 LEU B 451 -11.368 17.420 1.321 1.00 0.92 H new ATOM 0 HD12 LEU B 451 -12.586 16.126 1.224 1.00 0.92 H new ATOM 0 HD13 LEU B 451 -10.991 15.795 1.941 1.00 0.92 H new ATOM 0 HD21 LEU B 451 -9.339 17.339 -0.134 1.00 1.04 H new ATOM 0 HD22 LEU B 451 -8.959 15.713 0.482 1.00 1.04 H new ATOM 0 HD23 LEU B 451 -9.112 15.988 -1.269 1.00 1.04 H new ATOM 2525 N LEU B 452 -11.820 11.804 -2.184 1.00 0.42 N ATOM 2526 CA LEU B 452 -11.354 10.452 -2.615 1.00 0.40 C ATOM 2527 C LEU B 452 -12.250 9.908 -3.732 1.00 0.46 C ATOM 2528 O LEU B 452 -12.239 8.729 -4.027 1.00 0.51 O ATOM 2529 CB LEU B 452 -11.472 9.578 -1.365 1.00 0.37 C ATOM 2530 CG LEU B 452 -10.686 10.208 -0.212 1.00 0.35 C ATOM 2531 CD1 LEU B 452 -11.216 9.672 1.118 1.00 0.31 C ATOM 2532 CD2 LEU B 452 -9.204 9.850 -0.350 1.00 0.43 C ATOM 0 H LEU B 452 -12.751 11.829 -1.769 1.00 0.42 H new ATOM 0 HA LEU B 452 -10.338 10.474 -3.008 1.00 0.40 H new ATOM 0 HB2 LEU B 452 -12.520 9.468 -1.085 1.00 0.37 H new ATOM 0 HB3 LEU B 452 -11.091 8.578 -1.573 1.00 0.37 H new ATOM 0 HG LEU B 452 -10.803 11.291 -0.241 1.00 0.35 H new ATOM 0 HD11 LEU B 452 -10.657 10.120 1.940 1.00 0.31 H new ATOM 0 HD12 LEU B 452 -12.272 9.924 1.217 1.00 0.31 H new ATOM 0 HD13 LEU B 452 -11.098 8.589 1.147 1.00 0.31 H new ATOM 0 HD21 LEU B 452 -8.644 10.298 0.470 1.00 0.43 H new ATOM 0 HD22 LEU B 452 -9.087 8.767 -0.320 1.00 0.43 H new ATOM 0 HD23 LEU B 452 -8.825 10.230 -1.299 1.00 0.43 H new ATOM 2544 N GLY B 453 -13.029 10.752 -4.358 1.00 0.50 N ATOM 2545 CA GLY B 453 -13.923 10.270 -5.451 1.00 0.56 C ATOM 2546 C GLY B 453 -14.772 9.109 -4.936 1.00 0.58 C ATOM 2547 O GLY B 453 -14.984 8.127 -5.618 1.00 0.68 O ATOM 0 H GLY B 453 -13.084 11.751 -4.160 1.00 0.50 H new ATOM 0 HA2 GLY B 453 -14.566 11.081 -5.795 1.00 0.56 H new ATOM 0 HA3 GLY B 453 -13.329 9.949 -6.307 1.00 0.56 H new ATOM 2551 N TRP B 454 -15.254 9.214 -3.729 1.00 0.54 N ATOM 2552 CA TRP B 454 -16.084 8.116 -3.156 1.00 0.60 C ATOM 2553 C TRP B 454 -17.545 8.556 -3.035 1.00 0.69 C ATOM 2554 O TRP B 454 -18.425 8.005 -3.666 1.00 1.16 O ATOM 2555 CB TRP B 454 -15.488 7.861 -1.769 1.00 0.53 C ATOM 2556 CG TRP B 454 -14.381 6.853 -1.859 1.00 0.52 C ATOM 2557 CD1 TRP B 454 -13.626 6.610 -2.958 1.00 0.58 C ATOM 2558 CD2 TRP B 454 -13.890 5.956 -0.820 1.00 0.50 C ATOM 2559 NE1 TRP B 454 -12.705 5.620 -2.664 1.00 0.58 N ATOM 2560 CE2 TRP B 454 -12.823 5.181 -1.361 1.00 0.52 C ATOM 2561 CE3 TRP B 454 -14.262 5.736 0.532 1.00 0.51 C ATOM 2562 CZ2 TRP B 454 -12.145 4.221 -0.588 1.00 0.52 C ATOM 2563 CZ3 TRP B 454 -13.583 4.770 1.314 1.00 0.53 C ATOM 2564 CH2 TRP B 454 -12.526 4.014 0.754 1.00 0.51 C ATOM 0 H TRP B 454 -15.109 10.014 -3.113 1.00 0.54 H new ATOM 0 HA TRP B 454 -16.075 7.223 -3.781 1.00 0.60 H new ATOM 0 HB2 TRP B 454 -15.108 8.793 -1.351 1.00 0.53 H new ATOM 0 HB3 TRP B 454 -16.263 7.501 -1.092 1.00 0.53 H new ATOM 0 HD1 TRP B 454 -13.727 7.109 -3.910 1.00 0.58 H new ATOM 0 HE1 TRP B 454 -12.022 5.259 -3.330 1.00 0.58 H new ATOM 0 HE3 TRP B 454 -15.068 6.309 0.967 1.00 0.51 H new ATOM 0 HZ2 TRP B 454 -11.338 3.647 -1.019 1.00 0.52 H new ATOM 0 HZ3 TRP B 454 -13.873 4.610 2.342 1.00 0.53 H new ATOM 0 HH2 TRP B 454 -12.011 3.279 1.354 1.00 0.51 H new ATOM 2575 N GLY B 455 -17.810 9.540 -2.222 1.00 0.72 N ATOM 2576 CA GLY B 455 -19.213 10.012 -2.051 1.00 0.72 C ATOM 2577 C GLY B 455 -19.662 9.734 -0.616 1.00 0.70 C ATOM 2578 O GLY B 455 -18.880 9.318 0.215 1.00 0.64 O ATOM 0 H GLY B 455 -17.114 10.039 -1.667 1.00 0.72 H new ATOM 0 HA2 GLY B 455 -19.280 11.078 -2.266 1.00 0.72 H new ATOM 0 HA3 GLY B 455 -19.870 9.503 -2.756 1.00 0.72 H new ATOM 2582 N ALA B 456 -20.911 9.954 -0.315 1.00 0.77 N ATOM 2583 CA ALA B 456 -21.398 9.692 1.069 1.00 0.77 C ATOM 2584 C ALA B 456 -21.832 8.233 1.196 1.00 0.82 C ATOM 2585 O ALA B 456 -21.725 7.631 2.246 1.00 0.83 O ATOM 2586 CB ALA B 456 -22.591 10.630 1.255 1.00 0.84 C ATOM 0 H ALA B 456 -21.615 10.303 -0.965 1.00 0.77 H new ATOM 0 HA ALA B 456 -20.630 9.865 1.823 1.00 0.77 H new ATOM 0 HB1 ALA B 456 -23.007 10.496 2.254 1.00 0.84 H new ATOM 0 HB2 ALA B 456 -22.264 11.663 1.133 1.00 0.84 H new ATOM 0 HB3 ALA B 456 -23.354 10.401 0.511 1.00 0.84 H new ATOM 2592 N ALA B 457 -22.313 7.656 0.128 1.00 0.90 N ATOM 2593 CA ALA B 457 -22.746 6.233 0.184 1.00 0.97 C ATOM 2594 C ALA B 457 -21.524 5.326 0.348 1.00 0.89 C ATOM 2595 O ALA B 457 -21.548 4.359 1.083 1.00 0.91 O ATOM 2596 CB ALA B 457 -23.436 5.972 -1.154 1.00 1.07 C ATOM 0 H ALA B 457 -22.424 8.109 -0.779 1.00 0.90 H new ATOM 0 HA ALA B 457 -23.411 6.032 1.024 1.00 0.97 H new ATOM 0 HB1 ALA B 457 -23.784 4.940 -1.189 1.00 1.07 H new ATOM 0 HB2 ALA B 457 -24.286 6.645 -1.262 1.00 1.07 H new ATOM 0 HB3 ALA B 457 -22.731 6.144 -1.967 1.00 1.07 H new ATOM 2602 N THR B 458 -20.452 5.637 -0.331 1.00 0.84 N ATOM 2603 CA THR B 458 -19.225 4.800 -0.213 1.00 0.77 C ATOM 2604 C THR B 458 -18.569 5.025 1.152 1.00 0.68 C ATOM 2605 O THR B 458 -18.273 4.093 1.871 1.00 0.67 O ATOM 2606 CB THR B 458 -18.306 5.281 -1.337 1.00 0.76 C ATOM 2607 OG1 THR B 458 -19.032 5.315 -2.558 1.00 0.85 O ATOM 2608 CG2 THR B 458 -17.118 4.327 -1.473 1.00 0.72 C ATOM 0 H THR B 458 -20.374 6.435 -0.962 1.00 0.84 H new ATOM 0 HA THR B 458 -19.439 3.734 -0.294 1.00 0.77 H new ATOM 0 HB THR B 458 -17.940 6.281 -1.104 1.00 0.76 H new ATOM 0 HG1 THR B 458 -18.904 6.185 -2.991 1.00 0.85 H new ATOM 0 HG21 THR B 458 -16.465 4.672 -2.274 1.00 0.72 H new ATOM 0 HG22 THR B 458 -16.562 4.303 -0.536 1.00 0.72 H new ATOM 0 HG23 THR B 458 -17.480 3.326 -1.706 1.00 0.72 H new ATOM 2616 N LEU B 459 -18.349 6.260 1.517 1.00 0.64 N ATOM 2617 CA LEU B 459 -17.719 6.544 2.838 1.00 0.57 C ATOM 2618 C LEU B 459 -18.523 5.869 3.952 1.00 0.60 C ATOM 2619 O LEU B 459 -17.996 5.519 4.989 1.00 0.58 O ATOM 2620 CB LEU B 459 -17.768 8.066 2.980 1.00 0.56 C ATOM 2621 CG LEU B 459 -16.343 8.623 3.007 1.00 0.47 C ATOM 2622 CD1 LEU B 459 -16.329 10.026 2.403 1.00 0.48 C ATOM 2623 CD2 LEU B 459 -15.849 8.693 4.451 1.00 0.46 C ATOM 0 H LEU B 459 -18.578 7.082 0.959 1.00 0.64 H new ATOM 0 HA LEU B 459 -16.699 6.165 2.906 1.00 0.57 H new ATOM 0 HB2 LEU B 459 -18.324 8.501 2.150 1.00 0.56 H new ATOM 0 HB3 LEU B 459 -18.294 8.340 3.895 1.00 0.56 H new ATOM 0 HG LEU B 459 -15.691 7.969 2.428 1.00 0.47 H new ATOM 0 HD11 LEU B 459 -15.313 10.421 2.423 1.00 0.48 H new ATOM 0 HD12 LEU B 459 -16.681 9.982 1.372 1.00 0.48 H new ATOM 0 HD13 LEU B 459 -16.983 10.678 2.982 1.00 0.48 H new ATOM 0 HD21 LEU B 459 -14.834 9.090 4.469 1.00 0.46 H new ATOM 0 HD22 LEU B 459 -16.504 9.345 5.028 1.00 0.46 H new ATOM 0 HD23 LEU B 459 -15.856 7.694 4.887 1.00 0.46 H new ATOM 2635 N THR B 460 -19.797 5.680 3.740 1.00 0.68 N ATOM 2636 CA THR B 460 -20.639 5.023 4.781 1.00 0.74 C ATOM 2637 C THR B 460 -20.651 3.509 4.561 1.00 0.76 C ATOM 2638 O THR B 460 -20.383 2.738 5.462 1.00 0.75 O ATOM 2639 CB THR B 460 -22.039 5.608 4.586 1.00 0.83 C ATOM 2640 OG1 THR B 460 -22.012 6.999 4.868 1.00 0.82 O ATOM 2641 CG2 THR B 460 -23.023 4.912 5.530 1.00 0.92 C ATOM 0 H THR B 460 -20.292 5.952 2.891 1.00 0.68 H new ATOM 0 HA THR B 460 -20.266 5.197 5.790 1.00 0.74 H new ATOM 0 HB THR B 460 -22.358 5.452 3.555 1.00 0.83 H new ATOM 0 HG1 THR B 460 -21.875 7.499 4.036 1.00 0.82 H new ATOM 0 HG21 THR B 460 -24.020 5.330 5.389 1.00 0.92 H new ATOM 0 HG22 THR B 460 -23.043 3.844 5.312 1.00 0.92 H new ATOM 0 HG23 THR B 460 -22.707 5.065 6.562 1.00 0.92 H new ATOM 2649 N ALA B 461 -20.956 3.077 3.368 1.00 0.81 N ATOM 2650 CA ALA B 461 -20.980 1.613 3.088 1.00 0.85 C ATOM 2651 C ALA B 461 -19.586 1.019 3.304 1.00 0.79 C ATOM 2652 O ALA B 461 -19.439 -0.092 3.773 1.00 0.83 O ATOM 2653 CB ALA B 461 -21.396 1.495 1.623 1.00 0.92 C ATOM 0 H ALA B 461 -21.190 3.674 2.575 1.00 0.81 H new ATOM 0 HA ALA B 461 -21.663 1.074 3.745 1.00 0.85 H new ATOM 0 HB1 ALA B 461 -21.437 0.443 1.340 1.00 0.92 H new ATOM 0 HB2 ALA B 461 -22.379 1.946 1.486 1.00 0.92 H new ATOM 0 HB3 ALA B 461 -20.670 2.012 0.996 1.00 0.92 H new ATOM 2659 N LYS B 462 -18.562 1.755 2.970 1.00 0.72 N ATOM 2660 CA LYS B 462 -17.177 1.237 3.161 1.00 0.68 C ATOM 2661 C LYS B 462 -16.869 1.108 4.655 1.00 0.65 C ATOM 2662 O LYS B 462 -16.018 0.340 5.060 1.00 0.66 O ATOM 2663 CB LYS B 462 -16.269 2.283 2.513 1.00 0.66 C ATOM 2664 CG LYS B 462 -14.872 1.693 2.311 1.00 0.99 C ATOM 2665 CD LYS B 462 -14.643 1.420 0.823 1.00 0.91 C ATOM 2666 CE LYS B 462 -13.697 0.229 0.661 1.00 1.31 C ATOM 2667 NZ LYS B 462 -13.234 0.297 -0.753 1.00 1.39 N ATOM 0 H LYS B 462 -18.624 2.693 2.573 1.00 0.72 H new ATOM 0 HA LYS B 462 -17.037 0.250 2.719 1.00 0.68 H new ATOM 0 HB2 LYS B 462 -16.684 2.597 1.555 1.00 0.66 H new ATOM 0 HB3 LYS B 462 -16.213 3.171 3.143 1.00 0.66 H new ATOM 0 HG2 LYS B 462 -14.116 2.384 2.685 1.00 0.99 H new ATOM 0 HG3 LYS B 462 -14.770 0.769 2.881 1.00 0.99 H new ATOM 0 HD2 LYS B 462 -15.593 1.213 0.330 1.00 0.91 H new ATOM 0 HD3 LYS B 462 -14.220 2.302 0.342 1.00 0.91 H new ATOM 0 HE2 LYS B 462 -12.859 0.293 1.355 1.00 1.31 H new ATOM 0 HE3 LYS B 462 -14.208 -0.712 0.865 1.00 1.31 H new ATOM 0 HZ1 LYS B 462 -12.580 -0.489 -0.942 1.00 1.39 H new ATOM 0 HZ2 LYS B 462 -14.053 0.227 -1.390 1.00 1.39 H new ATOM 0 HZ3 LYS B 462 -12.746 1.201 -0.915 1.00 1.39 H new ATOM 2681 N LEU B 463 -17.557 1.853 5.477 1.00 0.65 N ATOM 2682 CA LEU B 463 -17.307 1.774 6.944 1.00 0.65 C ATOM 2683 C LEU B 463 -17.639 0.372 7.462 1.00 0.68 C ATOM 2684 O LEU B 463 -16.877 -0.227 8.195 1.00 0.70 O ATOM 2685 CB LEU B 463 -18.247 2.811 7.560 1.00 0.68 C ATOM 2686 CG LEU B 463 -18.030 2.866 9.073 1.00 0.81 C ATOM 2687 CD1 LEU B 463 -18.338 4.274 9.581 1.00 0.99 C ATOM 2688 CD2 LEU B 463 -18.961 1.862 9.756 1.00 0.99 C ATOM 0 H LEU B 463 -18.282 2.513 5.196 1.00 0.65 H new ATOM 0 HA LEU B 463 -16.265 1.967 7.198 1.00 0.65 H new ATOM 0 HB2 LEU B 463 -18.062 3.791 7.120 1.00 0.68 H new ATOM 0 HB3 LEU B 463 -19.283 2.553 7.340 1.00 0.68 H new ATOM 0 HG LEU B 463 -16.994 2.617 9.302 1.00 0.81 H new ATOM 0 HD11 LEU B 463 -18.184 4.314 10.659 1.00 0.99 H new ATOM 0 HD12 LEU B 463 -17.676 4.990 9.093 1.00 0.99 H new ATOM 0 HD13 LEU B 463 -19.374 4.524 9.354 1.00 0.99 H new ATOM 0 HD21 LEU B 463 -18.808 1.899 10.835 1.00 0.99 H new ATOM 0 HD22 LEU B 463 -19.997 2.113 9.527 1.00 0.99 H new ATOM 0 HD23 LEU B 463 -18.742 0.858 9.393 1.00 0.99 H new ATOM 2700 N LYS B 464 -18.770 -0.156 7.085 1.00 0.72 N ATOM 2701 CA LYS B 464 -19.149 -1.520 7.555 1.00 0.77 C ATOM 2702 C LYS B 464 -18.625 -2.579 6.579 1.00 0.76 C ATOM 2703 O LYS B 464 -18.426 -3.723 6.936 1.00 0.82 O ATOM 2704 CB LYS B 464 -20.678 -1.520 7.576 1.00 0.85 C ATOM 2705 CG LYS B 464 -21.171 -1.115 8.966 1.00 1.20 C ATOM 2706 CD LYS B 464 -22.447 -0.281 8.833 1.00 1.62 C ATOM 2707 CE LYS B 464 -23.604 -1.184 8.402 1.00 2.25 C ATOM 2708 NZ LYS B 464 -24.112 -0.581 7.139 1.00 2.66 N ATOM 0 H LYS B 464 -19.448 0.297 6.472 1.00 0.72 H new ATOM 0 HA LYS B 464 -18.728 -1.753 8.533 1.00 0.77 H new ATOM 0 HB2 LYS B 464 -21.062 -0.828 6.827 1.00 0.85 H new ATOM 0 HB3 LYS B 464 -21.055 -2.510 7.319 1.00 0.85 H new ATOM 0 HG2 LYS B 464 -21.366 -2.003 9.567 1.00 1.20 H new ATOM 0 HG3 LYS B 464 -20.402 -0.542 9.483 1.00 1.20 H new ATOM 0 HD2 LYS B 464 -22.681 0.199 9.783 1.00 1.62 H new ATOM 0 HD3 LYS B 464 -22.300 0.514 8.102 1.00 1.62 H new ATOM 0 HE2 LYS B 464 -23.267 -2.208 8.243 1.00 2.25 H new ATOM 0 HE3 LYS B 464 -24.383 -1.219 9.164 1.00 2.25 H new ATOM 0 HZ1 LYS B 464 -24.909 -1.145 6.781 1.00 2.66 H new ATOM 0 HZ2 LYS B 464 -24.432 0.391 7.323 1.00 2.66 H new ATOM 0 HZ3 LYS B 464 -23.351 -0.567 6.430 1.00 2.66 H new ATOM 2722 N GLU B 465 -18.402 -2.205 5.348 1.00 0.73 N ATOM 2723 CA GLU B 465 -17.891 -3.188 4.350 1.00 0.76 C ATOM 2724 C GLU B 465 -16.542 -3.751 4.804 1.00 0.69 C ATOM 2725 O GLU B 465 -16.411 -4.927 5.079 1.00 0.85 O ATOM 2726 CB GLU B 465 -17.733 -2.394 3.053 1.00 0.79 C ATOM 2727 CG GLU B 465 -17.201 -3.314 1.953 1.00 1.12 C ATOM 2728 CD GLU B 465 -17.947 -3.033 0.646 1.00 1.42 C ATOM 2729 OE1 GLU B 465 -19.094 -3.437 0.543 1.00 2.03 O ATOM 2730 OE2 GLU B 465 -17.359 -2.419 -0.228 1.00 1.94 O ATOM 0 H GLU B 465 -18.552 -1.262 4.990 1.00 0.73 H new ATOM 0 HA GLU B 465 -18.563 -4.037 4.227 1.00 0.76 H new ATOM 0 HB2 GLU B 465 -18.692 -1.970 2.755 1.00 0.79 H new ATOM 0 HB3 GLU B 465 -17.049 -1.559 3.206 1.00 0.79 H new ATOM 0 HG2 GLU B 465 -16.132 -3.153 1.815 1.00 1.12 H new ATOM 0 HG3 GLU B 465 -17.332 -4.357 2.242 1.00 1.12 H new ATOM 2737 N LEU B 466 -15.537 -2.921 4.885 1.00 0.56 N ATOM 2738 CA LEU B 466 -14.198 -3.412 5.321 1.00 0.59 C ATOM 2739 C LEU B 466 -14.317 -4.163 6.651 1.00 0.70 C ATOM 2740 O LEU B 466 -13.618 -5.126 6.895 1.00 0.81 O ATOM 2741 CB LEU B 466 -13.349 -2.152 5.494 1.00 0.56 C ATOM 2742 CG LEU B 466 -12.823 -1.693 4.133 1.00 0.54 C ATOM 2743 CD1 LEU B 466 -12.364 -0.238 4.228 1.00 0.62 C ATOM 2744 CD2 LEU B 466 -11.640 -2.571 3.723 1.00 0.52 C ATOM 0 H LEU B 466 -15.585 -1.925 4.668 1.00 0.56 H new ATOM 0 HA LEU B 466 -13.759 -4.104 4.602 1.00 0.59 H new ATOM 0 HB2 LEU B 466 -13.944 -1.361 5.950 1.00 0.56 H new ATOM 0 HB3 LEU B 466 -12.516 -2.353 6.168 1.00 0.56 H new ATOM 0 HG LEU B 466 -13.616 -1.777 3.390 1.00 0.54 H new ATOM 0 HD11 LEU B 466 -11.989 0.089 3.258 1.00 0.62 H new ATOM 0 HD12 LEU B 466 -13.205 0.390 4.523 1.00 0.62 H new ATOM 0 HD13 LEU B 466 -11.571 -0.155 4.971 1.00 0.62 H new ATOM 0 HD21 LEU B 466 -11.264 -2.245 2.753 1.00 0.52 H new ATOM 0 HD22 LEU B 466 -10.848 -2.485 4.467 1.00 0.52 H new ATOM 0 HD23 LEU B 466 -11.964 -3.610 3.656 1.00 0.52 H new ATOM 2756 N GLY B 467 -15.196 -3.729 7.513 1.00 0.77 N ATOM 2757 CA GLY B 467 -15.357 -4.417 8.826 1.00 0.97 C ATOM 2758 C GLY B 467 -16.034 -5.772 8.612 1.00 1.08 C ATOM 2759 O GLY B 467 -15.881 -6.684 9.401 1.00 1.38 O ATOM 0 H GLY B 467 -15.810 -2.928 7.365 1.00 0.77 H new ATOM 0 HA2 GLY B 467 -14.384 -4.555 9.298 1.00 0.97 H new ATOM 0 HA3 GLY B 467 -15.954 -3.803 9.500 1.00 0.97 H new