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 423 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 426 GLN : amide:sc= -2.07 K(o=-2.1,f=-7!) USER MOD Set 2.1: A 423 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 426 GLN : amide:sc= -2.05 K(o=-2.1,f=-7!) USER MOD Single : A 404 THR OG1 : rot 180:sc= 0 USER MOD Single : A 408 GLN : amide:sc=-0.00711 X(o=-0.0071,f=-0.11) USER MOD Single : A 416 SER OG : rot 180:sc= 0 USER MOD Single : A 418 HIS : no HD1:sc= -4.75 X(o=-4.7,f=-4.8!) USER MOD Single : A 419 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 420 ASN : amide:sc= -1.5 K(o=-1.5,f=-6.8!) USER MOD Single : A 432 THR OG1 : rot 87:sc= 0.815 USER MOD Single : A 435 THR OG1 : rot 80:sc= 0.364 USER MOD Single : A 436 THR OG1 : rot 133:sc= 1.11 USER MOD Single : A 440 HIS : no HE2:sc= -3.93! X(o=-3.9!,f=-4) USER MOD Single : A 441 THR OG1 : rot 73:sc= 0.346 USER MOD Single : A 442 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 444 HIS :FLIP no HD1:sc= -1.19 F(o=-2.1!,f=-1.2) USER MOD Single : A 445 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 446 GLN : amide:sc= -0.389 K(o=-0.39,f=-2.3!) USER MOD Single : A 458 THR OG1 : rot 180:sc= 0.00938 USER MOD Single : A 460 THR OG1 : rot 110:sc= 1.24 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 USER MOD Single : B 408 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : B 416 SER OG : rot 180:sc= 0 USER MOD Single : B 418 HIS : no HD1:sc= -4.8 X(o=-4.8,f=-5.1!) USER MOD Single : B 419 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 420 ASN : amide:sc= -1.48 K(o=-1.5,f=-6.6!) USER MOD Single : B 432 THR OG1 : rot 88:sc= 0.803 USER MOD Single : B 435 THR OG1 : rot 90:sc= 0.328 USER MOD Single : B 436 THR OG1 : rot 92:sc= 1.08 USER MOD Single : B 440 HIS : no HE2:sc= -3.75! X(o=-3.8!,f=-3.7) USER MOD Single : B 441 THR OG1 : rot 73:sc= 0.341 USER MOD Single : B 442 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 444 HIS :FLIP no HD1:sc= -1.15 F(o=-2.1!,f=-1.1) USER MOD Single : B 445 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 446 GLN : amide:sc= -0.299 K(o=-0.3,f=-2.3!) USER MOD Single : B 458 THR OG1 : rot 180:sc= 0.00502 USER MOD Single : B 460 THR OG1 : rot 94:sc= 1.23 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 6.440 3.624 2.147 1.00 0.95 N ATOM 326 CA TRP A 402 5.054 3.662 1.590 1.00 0.86 C ATOM 327 C TRP A 402 4.162 4.601 2.400 1.00 0.79 C ATOM 328 O TRP A 402 3.759 5.634 1.921 1.00 0.71 O ATOM 329 CB TRP A 402 4.541 2.228 1.701 1.00 0.96 C ATOM 330 CG TRP A 402 4.003 1.785 0.382 1.00 0.84 C ATOM 331 CD1 TRP A 402 4.725 1.151 -0.570 1.00 0.94 C ATOM 332 CD2 TRP A 402 2.651 1.924 -0.150 1.00 0.76 C ATOM 333 NE1 TRP A 402 3.908 0.885 -1.654 1.00 1.00 N ATOM 334 CE2 TRP A 402 2.621 1.338 -1.450 1.00 0.83 C ATOM 335 CE3 TRP A 402 1.449 2.494 0.359 1.00 0.78 C ATOM 336 CZ2 TRP A 402 1.445 1.316 -2.220 1.00 0.83 C ATOM 337 CZ3 TRP A 402 0.265 2.471 -0.416 1.00 0.72 C ATOM 338 CH2 TRP A 402 0.263 1.883 -1.701 1.00 0.69 C ATOM 0 HA TRP A 402 5.046 4.030 0.564 1.00 0.86 H new ATOM 0 HB2 TRP A 402 5.347 1.566 2.017 1.00 0.96 H new ATOM 0 HB3 TRP A 402 3.762 2.167 2.461 1.00 0.96 H new ATOM 0 HD1 TRP A 402 5.771 0.894 -0.496 1.00 0.94 H new ATOM 0 HE1 TRP A 402 4.219 0.411 -2.502 1.00 1.00 H new ATOM 0 HE3 TRP A 402 1.441 2.945 1.340 1.00 0.78 H new ATOM 0 HZ2 TRP A 402 1.447 0.868 -3.203 1.00 0.83 H new ATOM 0 HZ3 TRP A 402 -0.642 2.905 -0.023 1.00 0.72 H new ATOM 0 HH2 TRP A 402 -0.645 1.868 -2.286 1.00 0.69 H new ATOM 349 N ALA A 403 3.842 4.246 3.616 1.00 0.85 N ATOM 350 CA ALA A 403 2.961 5.126 4.447 1.00 0.85 C ATOM 351 C ALA A 403 3.438 6.580 4.383 1.00 0.80 C ATOM 352 O ALA A 403 2.649 7.489 4.224 1.00 0.76 O ATOM 353 CB ALA A 403 3.081 4.582 5.870 1.00 0.99 C ATOM 0 H ALA A 403 4.151 3.387 4.071 1.00 0.85 H new ATOM 0 HA ALA A 403 1.930 5.120 4.095 1.00 0.85 H new ATOM 0 HB1 ALA A 403 2.461 5.177 6.541 1.00 0.99 H new ATOM 0 HB2 ALA A 403 2.747 3.545 5.892 1.00 0.99 H new ATOM 0 HB3 ALA A 403 4.121 4.635 6.194 1.00 0.99 H new ATOM 359 N THR A 404 4.717 6.811 4.487 1.00 0.82 N ATOM 360 CA THR A 404 5.216 8.212 4.410 1.00 0.81 C ATOM 361 C THR A 404 4.867 8.787 3.037 1.00 0.70 C ATOM 362 O THR A 404 4.404 9.903 2.917 1.00 0.68 O ATOM 363 CB THR A 404 6.732 8.115 4.591 1.00 0.89 C ATOM 364 OG1 THR A 404 7.020 7.465 5.821 1.00 1.07 O ATOM 365 CG2 THR A 404 7.338 9.519 4.600 1.00 0.89 C ATOM 0 H THR A 404 5.433 6.097 4.621 1.00 0.82 H new ATOM 0 HA THR A 404 4.773 8.863 5.164 1.00 0.81 H new ATOM 0 HB THR A 404 7.160 7.543 3.768 1.00 0.89 H new ATOM 0 HG1 THR A 404 7.991 7.401 5.937 1.00 1.07 H new ATOM 0 HG21 THR A 404 8.418 9.448 4.729 1.00 0.89 H new ATOM 0 HG22 THR A 404 7.117 10.017 3.656 1.00 0.89 H new ATOM 0 HG23 THR A 404 6.911 10.094 5.422 1.00 0.89 H new ATOM 373 N LEU A 405 5.065 8.016 2.003 1.00 0.67 N ATOM 374 CA LEU A 405 4.725 8.492 0.633 1.00 0.61 C ATOM 375 C LEU A 405 3.201 8.580 0.489 1.00 0.53 C ATOM 376 O LEU A 405 2.682 9.266 -0.366 1.00 0.52 O ATOM 377 CB LEU A 405 5.299 7.410 -0.297 1.00 0.67 C ATOM 378 CG LEU A 405 5.221 7.846 -1.770 1.00 0.65 C ATOM 379 CD1 LEU A 405 3.774 7.750 -2.255 1.00 0.57 C ATOM 380 CD2 LEU A 405 5.723 9.286 -1.931 1.00 0.64 C ATOM 0 H LEU A 405 5.450 7.072 2.049 1.00 0.67 H new ATOM 0 HA LEU A 405 5.126 9.480 0.407 1.00 0.61 H new ATOM 0 HB2 LEU A 405 6.336 7.209 -0.029 1.00 0.67 H new ATOM 0 HB3 LEU A 405 4.748 6.479 -0.161 1.00 0.67 H new ATOM 0 HG LEU A 405 5.853 7.187 -2.365 1.00 0.65 H new ATOM 0 HD11 LEU A 405 3.719 8.059 -3.299 1.00 0.57 H new ATOM 0 HD12 LEU A 405 3.427 6.721 -2.162 1.00 0.57 H new ATOM 0 HD13 LEU A 405 3.143 8.402 -1.650 1.00 0.57 H new ATOM 0 HD21 LEU A 405 5.661 9.578 -2.979 1.00 0.64 H new ATOM 0 HD22 LEU A 405 5.107 9.955 -1.331 1.00 0.64 H new ATOM 0 HD23 LEU A 405 6.759 9.350 -1.598 1.00 0.64 H new ATOM 392 N LEU A 406 2.488 7.876 1.324 1.00 0.53 N ATOM 393 CA LEU A 406 1.004 7.881 1.258 1.00 0.50 C ATOM 394 C LEU A 406 0.433 9.090 2.003 1.00 0.49 C ATOM 395 O LEU A 406 -0.444 9.773 1.510 1.00 0.45 O ATOM 396 CB LEU A 406 0.605 6.567 1.944 1.00 0.58 C ATOM 397 CG LEU A 406 -0.363 5.772 1.061 1.00 0.60 C ATOM 398 CD1 LEU A 406 -1.676 6.536 0.924 1.00 0.94 C ATOM 399 CD2 LEU A 406 0.247 5.557 -0.328 1.00 1.02 C ATOM 0 H LEU A 406 2.880 7.289 2.060 1.00 0.53 H new ATOM 0 HA LEU A 406 0.623 7.953 0.239 1.00 0.50 H new ATOM 0 HB2 LEU A 406 1.495 5.971 2.146 1.00 0.58 H new ATOM 0 HB3 LEU A 406 0.138 6.779 2.906 1.00 0.58 H new ATOM 0 HG LEU A 406 -0.549 4.803 1.524 1.00 0.60 H new ATOM 0 HD11 LEU A 406 -2.363 5.969 0.296 1.00 0.94 H new ATOM 0 HD12 LEU A 406 -2.119 6.678 1.910 1.00 0.94 H new ATOM 0 HD13 LEU A 406 -1.486 7.508 0.468 1.00 0.94 H new ATOM 0 HD21 LEU A 406 -0.449 4.991 -0.947 1.00 1.02 H new ATOM 0 HD22 LEU A 406 0.443 6.523 -0.793 1.00 1.02 H new ATOM 0 HD23 LEU A 406 1.181 5.003 -0.233 1.00 1.02 H new ATOM 411 N ALA A 407 0.921 9.368 3.179 1.00 0.56 N ATOM 412 CA ALA A 407 0.397 10.538 3.936 1.00 0.59 C ATOM 413 C ALA A 407 0.914 11.836 3.311 1.00 0.57 C ATOM 414 O ALA A 407 0.323 12.888 3.457 1.00 0.61 O ATOM 415 CB ALA A 407 0.934 10.365 5.357 1.00 0.70 C ATOM 0 H ALA A 407 1.657 8.839 3.647 1.00 0.56 H new ATOM 0 HA ALA A 407 -0.692 10.591 3.923 1.00 0.59 H new ATOM 0 HB1 ALA A 407 0.590 11.191 5.979 1.00 0.70 H new ATOM 0 HB2 ALA A 407 0.572 9.424 5.771 1.00 0.70 H new ATOM 0 HB3 ALA A 407 2.024 10.356 5.336 1.00 0.70 H new ATOM 421 N GLN A 408 2.014 11.767 2.611 1.00 0.57 N ATOM 422 CA GLN A 408 2.570 12.992 1.971 1.00 0.57 C ATOM 423 C GLN A 408 2.008 13.156 0.555 1.00 0.50 C ATOM 424 O GLN A 408 1.814 14.256 0.079 1.00 0.50 O ATOM 425 CB GLN A 408 4.081 12.766 1.928 1.00 0.62 C ATOM 426 CG GLN A 408 4.691 13.145 3.279 1.00 0.75 C ATOM 427 CD GLN A 408 5.973 13.947 3.056 1.00 0.78 C ATOM 428 OE1 GLN A 408 5.953 14.985 2.425 1.00 1.29 O ATOM 429 NE2 GLN A 408 7.097 13.506 3.551 1.00 1.46 N ATOM 0 H GLN A 408 2.551 10.914 2.455 1.00 0.57 H new ATOM 0 HA GLN A 408 2.309 13.897 2.519 1.00 0.57 H new ATOM 0 HB2 GLN A 408 4.297 11.722 1.699 1.00 0.62 H new ATOM 0 HB3 GLN A 408 4.527 13.365 1.134 1.00 0.62 H new ATOM 0 HG2 GLN A 408 3.979 13.732 3.859 1.00 0.75 H new ATOM 0 HG3 GLN A 408 4.908 12.246 3.856 1.00 0.75 H new ATOM 0 HE21 GLN A 408 7.114 12.635 4.081 1.00 1.46 H new ATOM 0 HE22 GLN A 408 7.959 14.033 3.408 1.00 1.46 H new ATOM 438 N TRP A 409 1.748 12.069 -0.123 1.00 0.46 N ATOM 439 CA TRP A 409 1.200 12.170 -1.507 1.00 0.43 C ATOM 440 C TRP A 409 -0.226 12.729 -1.469 1.00 0.40 C ATOM 441 O TRP A 409 -0.580 13.603 -2.235 1.00 0.41 O ATOM 442 CB TRP A 409 1.214 10.733 -2.043 1.00 0.43 C ATOM 443 CG TRP A 409 0.518 10.673 -3.367 1.00 0.42 C ATOM 444 CD1 TRP A 409 0.912 11.327 -4.486 1.00 0.50 C ATOM 445 CD2 TRP A 409 -0.681 9.931 -3.727 1.00 0.40 C ATOM 446 NE1 TRP A 409 0.031 11.034 -5.513 1.00 0.53 N ATOM 447 CE2 TRP A 409 -0.969 10.177 -5.100 1.00 0.47 C ATOM 448 CE3 TRP A 409 -1.547 9.069 -3.002 1.00 0.39 C ATOM 449 CZ2 TRP A 409 -2.079 9.591 -5.736 1.00 0.50 C ATOM 450 CZ3 TRP A 409 -2.665 8.476 -3.638 1.00 0.43 C ATOM 451 CH2 TRP A 409 -2.929 8.737 -5.003 1.00 0.48 C ATOM 0 H TRP A 409 1.891 11.119 0.220 1.00 0.46 H new ATOM 0 HA TRP A 409 1.781 12.841 -2.139 1.00 0.43 H new ATOM 0 HB2 TRP A 409 2.242 10.385 -2.147 1.00 0.43 H new ATOM 0 HB3 TRP A 409 0.722 10.067 -1.334 1.00 0.43 H new ATOM 0 HD1 TRP A 409 1.774 11.973 -4.564 1.00 0.50 H new ATOM 0 HE1 TRP A 409 0.111 11.406 -6.459 1.00 0.53 H new ATOM 0 HE3 TRP A 409 -1.352 8.865 -1.960 1.00 0.39 H new ATOM 0 HZ2 TRP A 409 -2.279 9.794 -6.778 1.00 0.50 H new ATOM 0 HZ3 TRP A 409 -3.318 7.822 -3.079 1.00 0.43 H new ATOM 0 HH2 TRP A 409 -3.782 8.282 -5.484 1.00 0.48 H new ATOM 462 N ALA A 410 -1.048 12.234 -0.583 1.00 0.42 N ATOM 463 CA ALA A 410 -2.445 12.747 -0.504 1.00 0.44 C ATOM 464 C ALA A 410 -2.435 14.263 -0.297 1.00 0.45 C ATOM 465 O ALA A 410 -3.349 14.960 -0.692 1.00 0.47 O ATOM 466 CB ALA A 410 -3.063 12.041 0.703 1.00 0.51 C ATOM 0 H ALA A 410 -0.814 11.500 0.086 1.00 0.42 H new ATOM 0 HA ALA A 410 -3.010 12.554 -1.416 1.00 0.44 H new ATOM 0 HB1 ALA A 410 -4.095 12.368 0.827 1.00 0.51 H new ATOM 0 HB2 ALA A 410 -3.041 10.963 0.545 1.00 0.51 H new ATOM 0 HB3 ALA A 410 -2.494 12.288 1.599 1.00 0.51 H new ATOM 472 N ASP A 411 -1.404 14.778 0.315 1.00 0.48 N ATOM 473 CA ASP A 411 -1.331 16.250 0.544 1.00 0.53 C ATOM 474 C ASP A 411 -0.914 16.963 -0.746 1.00 0.53 C ATOM 475 O ASP A 411 -1.582 17.866 -1.211 1.00 0.58 O ATOM 476 CB ASP A 411 -0.264 16.430 1.624 1.00 0.60 C ATOM 477 CG ASP A 411 -0.934 16.507 2.997 1.00 1.03 C ATOM 478 OD1 ASP A 411 -1.951 17.171 3.102 1.00 1.51 O ATOM 479 OD2 ASP A 411 -0.417 15.899 3.920 1.00 1.78 O ATOM 0 H ASP A 411 -0.609 14.244 0.666 1.00 0.48 H new ATOM 0 HA ASP A 411 -2.290 16.670 0.845 1.00 0.53 H new ATOM 0 HB2 ASP A 411 0.439 15.598 1.597 1.00 0.60 H new ATOM 0 HB3 ASP A 411 0.309 17.338 1.436 1.00 0.60 H new ATOM 484 N ARG A 412 0.184 16.564 -1.327 1.00 0.51 N ATOM 485 CA ARG A 412 0.641 17.218 -2.586 1.00 0.56 C ATOM 486 C ARG A 412 -0.463 17.156 -3.642 1.00 0.55 C ATOM 487 O ARG A 412 -0.619 18.053 -4.448 1.00 0.63 O ATOM 488 CB ARG A 412 1.859 16.409 -3.034 1.00 0.58 C ATOM 489 CG ARG A 412 3.122 16.994 -2.401 1.00 0.96 C ATOM 490 CD ARG A 412 4.285 16.016 -2.583 1.00 1.50 C ATOM 491 NE ARG A 412 5.510 16.832 -2.363 1.00 1.90 N ATOM 492 CZ ARG A 412 6.658 16.423 -2.830 1.00 2.41 C ATOM 493 NH1 ARG A 412 6.931 16.558 -4.099 1.00 2.89 N ATOM 494 NH2 ARG A 412 7.532 15.879 -2.029 1.00 3.02 N ATOM 0 H ARG A 412 0.784 15.814 -0.985 1.00 0.51 H new ATOM 0 HA ARG A 412 0.883 18.271 -2.441 1.00 0.56 H new ATOM 0 HB2 ARG A 412 1.743 15.365 -2.742 1.00 0.58 H new ATOM 0 HB3 ARG A 412 1.942 16.428 -4.121 1.00 0.58 H new ATOM 0 HG2 ARG A 412 3.363 17.952 -2.863 1.00 0.96 H new ATOM 0 HG3 ARG A 412 2.955 17.184 -1.341 1.00 0.96 H new ATOM 0 HD2 ARG A 412 4.225 15.194 -1.870 1.00 1.50 H new ATOM 0 HD3 ARG A 412 4.278 15.575 -3.580 1.00 1.50 H new ATOM 0 HE ARG A 412 5.452 17.710 -1.848 1.00 1.90 H new ATOM 0 HH11 ARG A 412 6.247 16.983 -4.725 1.00 2.89 H new ATOM 0 HH12 ARG A 412 7.828 16.239 -4.464 1.00 2.89 H new ATOM 0 HH21 ARG A 412 7.318 15.773 -1.037 1.00 3.02 H new ATOM 0 HH22 ARG A 412 8.429 15.559 -2.394 1.00 3.02 H new ATOM 508 N ALA A 413 -1.232 16.104 -3.645 1.00 0.50 N ATOM 509 CA ALA A 413 -2.327 15.982 -4.646 1.00 0.53 C ATOM 510 C ALA A 413 -3.520 16.846 -4.229 1.00 0.57 C ATOM 511 O ALA A 413 -4.212 17.407 -5.055 1.00 0.66 O ATOM 512 CB ALA A 413 -2.709 14.501 -4.640 1.00 0.53 C ATOM 0 H ALA A 413 -1.149 15.322 -2.996 1.00 0.50 H new ATOM 0 HA ALA A 413 -2.021 16.318 -5.637 1.00 0.53 H new ATOM 0 HB1 ALA A 413 -3.513 14.330 -5.355 1.00 0.53 H new ATOM 0 HB2 ALA A 413 -1.843 13.901 -4.918 1.00 0.53 H new ATOM 0 HB3 ALA A 413 -3.043 14.216 -3.643 1.00 0.53 H new ATOM 518 N LEU A 414 -3.764 16.958 -2.951 1.00 0.54 N ATOM 519 CA LEU A 414 -4.911 17.787 -2.483 1.00 0.61 C ATOM 520 C LEU A 414 -4.773 19.218 -3.008 1.00 0.71 C ATOM 521 O LEU A 414 -5.716 19.801 -3.505 1.00 0.82 O ATOM 522 CB LEU A 414 -4.824 17.763 -0.957 1.00 0.63 C ATOM 523 CG LEU A 414 -6.199 17.435 -0.373 1.00 0.71 C ATOM 524 CD1 LEU A 414 -6.553 15.979 -0.683 1.00 1.11 C ATOM 525 CD2 LEU A 414 -6.171 17.640 1.143 1.00 1.04 C ATOM 0 H LEU A 414 -3.220 16.512 -2.212 1.00 0.54 H new ATOM 0 HA LEU A 414 -5.869 17.408 -2.840 1.00 0.61 H new ATOM 0 HB2 LEU A 414 -4.094 17.020 -0.635 1.00 0.63 H new ATOM 0 HB3 LEU A 414 -4.481 18.729 -0.586 1.00 0.63 H new ATOM 0 HG LEU A 414 -6.947 18.093 -0.816 1.00 0.71 H new ATOM 0 HD11 LEU A 414 -7.533 15.746 -0.266 1.00 1.11 H new ATOM 0 HD12 LEU A 414 -6.573 15.831 -1.763 1.00 1.11 H new ATOM 0 HD13 LEU A 414 -5.805 15.321 -0.241 1.00 1.11 H new ATOM 0 HD21 LEU A 414 -7.151 17.406 1.560 1.00 1.04 H new ATOM 0 HD22 LEU A 414 -5.422 16.983 1.585 1.00 1.04 H new ATOM 0 HD23 LEU A 414 -5.920 18.677 1.365 1.00 1.04 H new ATOM 537 N ARG A 415 -3.605 19.788 -2.899 1.00 0.73 N ATOM 538 CA ARG A 415 -3.407 21.181 -3.393 1.00 0.86 C ATOM 539 C ARG A 415 -3.222 21.182 -4.913 1.00 0.92 C ATOM 540 O ARG A 415 -3.426 22.183 -5.571 1.00 1.26 O ATOM 541 CB ARG A 415 -2.137 21.672 -2.697 1.00 1.01 C ATOM 542 CG ARG A 415 -2.079 23.199 -2.757 1.00 1.40 C ATOM 543 CD ARG A 415 -2.820 23.786 -1.554 1.00 1.61 C ATOM 544 NE ARG A 415 -3.793 24.751 -2.137 1.00 2.27 N ATOM 545 CZ ARG A 415 -4.979 24.882 -1.608 1.00 2.92 C ATOM 546 NH1 ARG A 415 -5.106 25.333 -0.390 1.00 3.32 N ATOM 547 NH2 ARG A 415 -6.039 24.560 -2.298 1.00 3.70 N ATOM 0 H ARG A 415 -2.779 19.351 -2.490 1.00 0.73 H new ATOM 0 HA ARG A 415 -4.263 21.821 -3.177 1.00 0.86 H new ATOM 0 HB2 ARG A 415 -2.126 21.338 -1.660 1.00 1.01 H new ATOM 0 HB3 ARG A 415 -1.257 21.245 -3.179 1.00 1.01 H new ATOM 0 HG2 ARG A 415 -1.042 23.534 -2.758 1.00 1.40 H new ATOM 0 HG3 ARG A 415 -2.529 23.554 -3.684 1.00 1.40 H new ATOM 0 HD2 ARG A 415 -3.328 23.008 -0.985 1.00 1.61 H new ATOM 0 HD3 ARG A 415 -2.132 24.283 -0.870 1.00 1.61 H new ATOM 0 HE ARG A 415 -3.533 25.310 -2.950 1.00 2.27 H new ATOM 0 HH11 ARG A 415 -4.278 25.584 0.150 1.00 3.32 H new ATOM 0 HH12 ARG A 415 -6.034 25.435 0.022 1.00 3.32 H new ATOM 0 HH21 ARG A 415 -5.940 24.206 -3.250 1.00 3.70 H new ATOM 0 HH22 ARG A 415 -6.966 24.662 -1.886 1.00 3.70 H new ATOM 561 N SER A 416 -2.836 20.069 -5.474 1.00 0.90 N ATOM 562 CA SER A 416 -2.637 20.008 -6.951 1.00 0.99 C ATOM 563 C SER A 416 -3.839 19.335 -7.621 1.00 0.99 C ATOM 564 O SER A 416 -3.691 18.425 -8.412 1.00 1.63 O ATOM 565 CB SER A 416 -1.376 19.167 -7.144 1.00 1.20 C ATOM 566 OG SER A 416 -0.719 19.573 -8.339 1.00 1.69 O ATOM 0 H SER A 416 -2.650 19.199 -4.974 1.00 0.90 H new ATOM 0 HA SER A 416 -2.540 20.998 -7.396 1.00 0.99 H new ATOM 0 HB2 SER A 416 -0.710 19.288 -6.290 1.00 1.20 H new ATOM 0 HB3 SER A 416 -1.635 18.110 -7.199 1.00 1.20 H new ATOM 0 HG SER A 416 0.091 19.037 -8.465 1.00 1.69 H new ATOM 572 N GLY A 417 -5.028 19.776 -7.310 1.00 1.06 N ATOM 573 CA GLY A 417 -6.237 19.161 -7.931 1.00 1.06 C ATOM 574 C GLY A 417 -6.216 17.648 -7.706 1.00 0.99 C ATOM 575 O GLY A 417 -5.766 16.892 -8.544 1.00 1.31 O ATOM 0 H GLY A 417 -5.215 20.534 -6.654 1.00 1.06 H new ATOM 0 HA2 GLY A 417 -7.140 19.591 -7.497 1.00 1.06 H new ATOM 0 HA3 GLY A 417 -6.261 19.380 -8.999 1.00 1.06 H new ATOM 579 N HIS A 418 -6.700 17.199 -6.579 1.00 0.78 N ATOM 580 CA HIS A 418 -6.707 15.735 -6.300 1.00 0.87 C ATOM 581 C HIS A 418 -7.825 15.049 -7.090 1.00 0.89 C ATOM 582 O HIS A 418 -8.810 15.662 -7.451 1.00 1.17 O ATOM 583 CB HIS A 418 -6.969 15.624 -4.800 1.00 1.01 C ATOM 584 CG HIS A 418 -8.278 16.287 -4.471 1.00 1.68 C ATOM 585 ND1 HIS A 418 -8.351 17.461 -3.739 1.00 2.18 N ATOM 586 CD2 HIS A 418 -9.576 15.950 -4.769 1.00 2.31 C ATOM 587 CE1 HIS A 418 -9.652 17.786 -3.621 1.00 2.86 C ATOM 588 NE2 HIS A 418 -10.441 16.898 -4.231 1.00 2.97 N ATOM 0 H HIS A 418 -7.091 17.783 -5.840 1.00 0.78 H new ATOM 0 HA HIS A 418 -5.773 15.254 -6.591 1.00 0.87 H new ATOM 0 HB2 HIS A 418 -6.994 14.576 -4.501 1.00 1.01 H new ATOM 0 HB3 HIS A 418 -6.160 16.095 -4.242 1.00 1.01 H new ATOM 0 HD2 HIS A 418 -9.879 15.081 -5.335 1.00 2.31 H new ATOM 0 HE1 HIS A 418 -10.014 18.658 -3.097 1.00 2.86 H new ATOM 0 HE2 HIS A 418 -11.459 16.912 -4.290 1.00 2.97 H new ATOM 596 N GLN A 419 -7.681 13.781 -7.356 1.00 1.08 N ATOM 597 CA GLN A 419 -8.733 13.055 -8.116 1.00 1.25 C ATOM 598 C GLN A 419 -8.647 11.554 -7.825 1.00 1.03 C ATOM 599 O GLN A 419 -9.429 11.012 -7.069 1.00 1.28 O ATOM 600 CB GLN A 419 -8.424 13.339 -9.586 1.00 1.71 C ATOM 601 CG GLN A 419 -9.524 14.224 -10.178 1.00 2.33 C ATOM 602 CD GLN A 419 -10.310 13.433 -11.225 1.00 2.91 C ATOM 603 OE1 GLN A 419 -11.163 12.637 -10.888 1.00 3.29 O ATOM 604 NE2 GLN A 419 -10.057 13.620 -12.491 1.00 3.52 N ATOM 0 H GLN A 419 -6.878 13.216 -7.079 1.00 1.08 H new ATOM 0 HA GLN A 419 -9.739 13.374 -7.845 1.00 1.25 H new ATOM 0 HB2 GLN A 419 -7.457 13.834 -9.676 1.00 1.71 H new ATOM 0 HB3 GLN A 419 -8.357 12.404 -10.142 1.00 1.71 H new ATOM 0 HG2 GLN A 419 -10.193 14.567 -9.389 1.00 2.33 H new ATOM 0 HG3 GLN A 419 -9.085 15.112 -10.632 1.00 2.33 H new ATOM 0 HE21 GLN A 419 -9.341 14.288 -12.775 1.00 3.52 H new ATOM 0 HE22 GLN A 419 -10.576 13.098 -13.197 1.00 3.52 H new ATOM 613 N ASN A 420 -7.701 10.878 -8.418 1.00 0.78 N ATOM 614 CA ASN A 420 -7.564 9.416 -8.173 1.00 0.70 C ATOM 615 C ASN A 420 -6.633 9.165 -6.983 1.00 0.58 C ATOM 616 O ASN A 420 -5.502 8.754 -7.144 1.00 0.71 O ATOM 617 CB ASN A 420 -6.954 8.855 -9.458 1.00 0.86 C ATOM 618 CG ASN A 420 -7.889 9.142 -10.634 1.00 1.35 C ATOM 619 OD1 ASN A 420 -8.174 10.284 -10.935 1.00 1.96 O ATOM 620 ND2 ASN A 420 -8.382 8.145 -11.317 1.00 1.88 N ATOM 0 H ASN A 420 -7.017 11.276 -9.062 1.00 0.78 H new ATOM 0 HA ASN A 420 -8.518 8.945 -7.935 1.00 0.70 H new ATOM 0 HB2 ASN A 420 -5.978 9.306 -9.637 1.00 0.86 H new ATOM 0 HB3 ASN A 420 -6.795 7.781 -9.359 1.00 0.86 H new ATOM 0 HD21 ASN A 420 -9.006 8.325 -12.103 1.00 1.88 H new ATOM 0 HD22 ASN A 420 -8.143 7.186 -11.064 1.00 1.88 H new ATOM 627 N LEU A 421 -7.101 9.412 -5.789 1.00 0.45 N ATOM 628 CA LEU A 421 -6.241 9.191 -4.591 1.00 0.40 C ATOM 629 C LEU A 421 -6.281 7.718 -4.169 1.00 0.39 C ATOM 630 O LEU A 421 -5.290 7.018 -4.230 1.00 0.53 O ATOM 631 CB LEU A 421 -6.842 10.078 -3.500 1.00 0.42 C ATOM 632 CG LEU A 421 -6.262 11.490 -3.612 1.00 0.39 C ATOM 633 CD1 LEU A 421 -7.312 12.510 -3.168 1.00 0.50 C ATOM 634 CD2 LEU A 421 -5.030 11.609 -2.711 1.00 0.41 C ATOM 0 H LEU A 421 -8.040 9.757 -5.592 1.00 0.45 H new ATOM 0 HA LEU A 421 -5.197 9.435 -4.785 1.00 0.40 H new ATOM 0 HB2 LEU A 421 -7.927 10.110 -3.600 1.00 0.42 H new ATOM 0 HB3 LEU A 421 -6.624 9.661 -2.517 1.00 0.42 H new ATOM 0 HG LEU A 421 -5.979 11.683 -4.647 1.00 0.39 H new ATOM 0 HD11 LEU A 421 -6.899 13.516 -3.248 1.00 0.50 H new ATOM 0 HD12 LEU A 421 -8.192 12.428 -3.806 1.00 0.50 H new ATOM 0 HD13 LEU A 421 -7.594 12.315 -2.133 1.00 0.50 H new ATOM 0 HD21 LEU A 421 -4.617 12.614 -2.791 1.00 0.41 H new ATOM 0 HD22 LEU A 421 -5.315 11.415 -1.677 1.00 0.41 H new ATOM 0 HD23 LEU A 421 -4.280 10.883 -3.023 1.00 0.41 H new ATOM 646 N LEU A 422 -7.419 7.246 -3.739 1.00 0.33 N ATOM 647 CA LEU A 422 -7.522 5.820 -3.309 1.00 0.34 C ATOM 648 C LEU A 422 -7.489 4.891 -4.527 1.00 0.35 C ATOM 649 O LEU A 422 -7.088 3.748 -4.436 1.00 0.37 O ATOM 650 CB LEU A 422 -8.872 5.719 -2.599 1.00 0.37 C ATOM 651 CG LEU A 422 -8.683 5.962 -1.102 1.00 0.38 C ATOM 652 CD1 LEU A 422 -10.051 6.116 -0.433 1.00 0.58 C ATOM 653 CD2 LEU A 422 -7.946 4.773 -0.480 1.00 0.63 C ATOM 0 H LEU A 422 -8.282 7.785 -3.666 1.00 0.33 H new ATOM 0 HA LEU A 422 -6.695 5.525 -2.663 1.00 0.34 H new ATOM 0 HB2 LEU A 422 -9.567 6.450 -3.012 1.00 0.37 H new ATOM 0 HB3 LEU A 422 -9.309 4.735 -2.766 1.00 0.37 H new ATOM 0 HG LEU A 422 -8.100 6.871 -0.954 1.00 0.38 H new ATOM 0 HD11 LEU A 422 -9.916 6.289 0.635 1.00 0.58 H new ATOM 0 HD12 LEU A 422 -10.579 6.962 -0.874 1.00 0.58 H new ATOM 0 HD13 LEU A 422 -10.633 5.207 -0.582 1.00 0.58 H new ATOM 0 HD21 LEU A 422 -7.811 4.947 0.588 1.00 0.63 H new ATOM 0 HD22 LEU A 422 -8.530 3.865 -0.629 1.00 0.63 H new ATOM 0 HD23 LEU A 422 -6.971 4.660 -0.955 1.00 0.63 H new ATOM 665 N SER A 423 -7.913 5.372 -5.663 1.00 0.35 N ATOM 666 CA SER A 423 -7.913 4.514 -6.884 1.00 0.38 C ATOM 667 C SER A 423 -6.483 4.276 -7.378 1.00 0.36 C ATOM 668 O SER A 423 -6.226 3.371 -8.148 1.00 0.40 O ATOM 669 CB SER A 423 -8.713 5.303 -7.919 1.00 0.44 C ATOM 670 OG SER A 423 -10.082 5.327 -7.537 1.00 1.23 O ATOM 0 H SER A 423 -8.260 6.322 -5.800 1.00 0.35 H new ATOM 0 HA SER A 423 -8.344 3.531 -6.693 1.00 0.38 H new ATOM 0 HB2 SER A 423 -8.327 6.320 -7.996 1.00 0.44 H new ATOM 0 HB3 SER A 423 -8.606 4.846 -8.903 1.00 0.44 H new ATOM 0 HG SER A 423 -10.597 5.834 -8.199 1.00 1.23 H new ATOM 676 N GLU A 424 -5.549 5.081 -6.950 1.00 0.34 N ATOM 677 CA GLU A 424 -4.140 4.893 -7.405 1.00 0.36 C ATOM 678 C GLU A 424 -3.457 3.792 -6.588 1.00 0.32 C ATOM 679 O GLU A 424 -2.917 2.848 -7.131 1.00 0.33 O ATOM 680 CB GLU A 424 -3.462 6.242 -7.163 1.00 0.38 C ATOM 681 CG GLU A 424 -2.749 6.690 -8.440 1.00 0.58 C ATOM 682 CD GLU A 424 -1.684 7.731 -8.093 1.00 0.81 C ATOM 683 OE1 GLU A 424 -0.979 7.527 -7.118 1.00 1.22 O ATOM 684 OE2 GLU A 424 -1.592 8.717 -8.806 1.00 1.54 O ATOM 0 H GLU A 424 -5.699 5.859 -6.307 1.00 0.34 H new ATOM 0 HA GLU A 424 -4.083 4.589 -8.450 1.00 0.36 H new ATOM 0 HB2 GLU A 424 -4.202 6.985 -6.867 1.00 0.38 H new ATOM 0 HB3 GLU A 424 -2.747 6.160 -6.344 1.00 0.38 H new ATOM 0 HG2 GLU A 424 -2.288 5.833 -8.931 1.00 0.58 H new ATOM 0 HG3 GLU A 424 -3.469 7.111 -9.142 1.00 0.58 H new ATOM 691 N ALA A 425 -3.475 3.905 -5.288 1.00 0.31 N ATOM 692 CA ALA A 425 -2.823 2.864 -4.440 1.00 0.29 C ATOM 693 C ALA A 425 -3.733 1.636 -4.300 1.00 0.28 C ATOM 694 O ALA A 425 -3.300 0.579 -3.885 1.00 0.28 O ATOM 695 CB ALA A 425 -2.618 3.535 -3.082 1.00 0.29 C ATOM 0 H ALA A 425 -3.912 4.671 -4.776 1.00 0.31 H new ATOM 0 HA ALA A 425 -1.886 2.512 -4.871 1.00 0.29 H new ATOM 0 HB1 ALA A 425 -2.141 2.833 -2.398 1.00 0.29 H new ATOM 0 HB2 ALA A 425 -1.983 4.413 -3.202 1.00 0.29 H new ATOM 0 HB3 ALA A 425 -3.583 3.838 -2.677 1.00 0.29 H new ATOM 701 N GLN A 426 -4.986 1.767 -4.641 1.00 0.30 N ATOM 702 CA GLN A 426 -5.919 0.608 -4.525 1.00 0.31 C ATOM 703 C GLN A 426 -5.326 -0.644 -5.190 1.00 0.30 C ATOM 704 O GLN A 426 -5.193 -1.672 -4.556 1.00 0.30 O ATOM 705 CB GLN A 426 -7.189 1.047 -5.252 1.00 0.36 C ATOM 706 CG GLN A 426 -8.331 1.195 -4.245 1.00 0.45 C ATOM 707 CD GLN A 426 -9.493 1.948 -4.894 1.00 0.54 C ATOM 708 OE1 GLN A 426 -9.633 3.142 -4.719 1.00 1.23 O ATOM 709 NE2 GLN A 426 -10.340 1.296 -5.643 1.00 1.09 N ATOM 0 H GLN A 426 -5.405 2.627 -4.995 1.00 0.30 H new ATOM 0 HA GLN A 426 -6.109 0.345 -3.484 1.00 0.31 H new ATOM 0 HB2 GLN A 426 -7.018 1.993 -5.765 1.00 0.36 H new ATOM 0 HB3 GLN A 426 -7.455 0.315 -6.014 1.00 0.36 H new ATOM 0 HG2 GLN A 426 -8.663 0.213 -3.910 1.00 0.45 H new ATOM 0 HG3 GLN A 426 -7.984 1.732 -3.363 1.00 0.45 H new ATOM 0 HE21 GLN A 426 -10.224 0.293 -5.791 1.00 1.09 H new ATOM 0 HE22 GLN A 426 -11.118 1.789 -6.081 1.00 1.09 H new ATOM 718 N PRO A 427 -4.996 -0.527 -6.456 1.00 0.32 N ATOM 719 CA PRO A 427 -4.426 -1.682 -7.194 1.00 0.34 C ATOM 720 C PRO A 427 -3.016 -2.002 -6.691 1.00 0.31 C ATOM 721 O PRO A 427 -2.529 -3.105 -6.844 1.00 0.35 O ATOM 722 CB PRO A 427 -4.403 -1.210 -8.646 1.00 0.39 C ATOM 723 CG PRO A 427 -4.368 0.282 -8.564 1.00 0.38 C ATOM 724 CD PRO A 427 -5.111 0.666 -7.311 1.00 0.35 C ATOM 0 HA PRO A 427 -5.002 -2.598 -7.063 1.00 0.34 H new ATOM 0 HB2 PRO A 427 -3.531 -1.597 -9.174 1.00 0.39 H new ATOM 0 HB3 PRO A 427 -5.283 -1.556 -9.188 1.00 0.39 H new ATOM 0 HG2 PRO A 427 -3.340 0.643 -8.530 1.00 0.38 H new ATOM 0 HG3 PRO A 427 -4.834 0.729 -9.442 1.00 0.38 H new ATOM 0 HD2 PRO A 427 -4.669 1.542 -6.837 1.00 0.35 H new ATOM 0 HD3 PRO A 427 -6.153 0.908 -7.522 1.00 0.35 H new ATOM 732 N GLU A 428 -2.359 -1.053 -6.083 1.00 0.29 N ATOM 733 CA GLU A 428 -0.987 -1.318 -5.565 1.00 0.29 C ATOM 734 C GLU A 428 -1.053 -2.369 -4.454 1.00 0.27 C ATOM 735 O GLU A 428 -0.239 -3.269 -4.385 1.00 0.32 O ATOM 736 CB GLU A 428 -0.505 0.023 -5.009 1.00 0.29 C ATOM 737 CG GLU A 428 0.886 0.335 -5.562 1.00 0.71 C ATOM 738 CD GLU A 428 1.892 -0.686 -5.024 1.00 1.37 C ATOM 739 OE1 GLU A 428 1.595 -1.306 -4.016 1.00 2.12 O ATOM 740 OE2 GLU A 428 2.942 -0.829 -5.629 1.00 2.07 O ATOM 0 H GLU A 428 -2.711 -0.109 -5.923 1.00 0.29 H new ATOM 0 HA GLU A 428 -0.315 -1.699 -6.334 1.00 0.29 H new ATOM 0 HB2 GLU A 428 -1.203 0.814 -5.283 1.00 0.29 H new ATOM 0 HB3 GLU A 428 -0.475 -0.012 -3.920 1.00 0.29 H new ATOM 0 HG2 GLU A 428 0.870 0.306 -6.652 1.00 0.71 H new ATOM 0 HG3 GLU A 428 1.186 1.343 -5.274 1.00 0.71 H new ATOM 747 N LEU A 429 -2.023 -2.263 -3.588 1.00 0.26 N ATOM 748 CA LEU A 429 -2.154 -3.254 -2.484 1.00 0.26 C ATOM 749 C LEU A 429 -2.701 -4.576 -3.029 1.00 0.25 C ATOM 750 O LEU A 429 -2.257 -5.644 -2.657 1.00 0.28 O ATOM 751 CB LEU A 429 -3.146 -2.623 -1.506 1.00 0.26 C ATOM 752 CG LEU A 429 -3.406 -3.585 -0.344 1.00 0.29 C ATOM 753 CD1 LEU A 429 -2.262 -3.490 0.665 1.00 0.45 C ATOM 754 CD2 LEU A 429 -4.721 -3.209 0.340 1.00 0.56 C ATOM 0 H LEU A 429 -2.732 -1.530 -3.598 1.00 0.26 H new ATOM 0 HA LEU A 429 -1.199 -3.477 -2.008 1.00 0.26 H new ATOM 0 HB2 LEU A 429 -2.750 -1.680 -1.129 1.00 0.26 H new ATOM 0 HB3 LEU A 429 -4.081 -2.394 -2.018 1.00 0.26 H new ATOM 0 HG LEU A 429 -3.470 -4.605 -0.723 1.00 0.29 H new ATOM 0 HD11 LEU A 429 -2.448 -4.175 1.492 1.00 0.45 H new ATOM 0 HD12 LEU A 429 -1.324 -3.756 0.178 1.00 0.45 H new ATOM 0 HD13 LEU A 429 -2.197 -2.471 1.046 1.00 0.45 H new ATOM 0 HD21 LEU A 429 -4.909 -3.892 1.168 1.00 0.56 H new ATOM 0 HD22 LEU A 429 -4.655 -2.189 0.719 1.00 0.56 H new ATOM 0 HD23 LEU A 429 -5.537 -3.277 -0.379 1.00 0.56 H new ATOM 766 N GLU A 430 -3.662 -4.512 -3.910 1.00 0.27 N ATOM 767 CA GLU A 430 -4.238 -5.765 -4.480 1.00 0.28 C ATOM 768 C GLU A 430 -3.183 -6.503 -5.310 1.00 0.30 C ATOM 769 O GLU A 430 -3.146 -7.716 -5.346 1.00 0.33 O ATOM 770 CB GLU A 430 -5.392 -5.304 -5.369 1.00 0.30 C ATOM 771 CG GLU A 430 -6.650 -6.107 -5.032 1.00 0.61 C ATOM 772 CD GLU A 430 -7.510 -5.317 -4.045 1.00 1.45 C ATOM 773 OE1 GLU A 430 -7.575 -4.107 -4.183 1.00 2.18 O ATOM 774 OE2 GLU A 430 -8.088 -5.936 -3.167 1.00 2.05 O ATOM 0 H GLU A 430 -4.074 -3.647 -4.260 1.00 0.27 H new ATOM 0 HA GLU A 430 -4.572 -6.455 -3.705 1.00 0.28 H new ATOM 0 HB2 GLU A 430 -5.577 -4.240 -5.220 1.00 0.30 H new ATOM 0 HB3 GLU A 430 -5.132 -5.439 -6.419 1.00 0.30 H new ATOM 0 HG2 GLU A 430 -7.217 -6.314 -5.940 1.00 0.61 H new ATOM 0 HG3 GLU A 430 -6.375 -7.070 -4.602 1.00 0.61 H new ATOM 781 N ARG A 431 -2.327 -5.779 -5.978 1.00 0.33 N ATOM 782 CA ARG A 431 -1.276 -6.440 -6.806 1.00 0.37 C ATOM 783 C ARG A 431 -0.260 -7.148 -5.906 1.00 0.36 C ATOM 784 O ARG A 431 0.072 -8.299 -6.114 1.00 0.38 O ATOM 785 CB ARG A 431 -0.606 -5.300 -7.574 1.00 0.41 C ATOM 786 CG ARG A 431 0.160 -5.870 -8.771 1.00 0.59 C ATOM 787 CD ARG A 431 0.909 -4.740 -9.483 1.00 1.32 C ATOM 788 NE ARG A 431 2.130 -5.381 -10.043 1.00 1.56 N ATOM 789 CZ ARG A 431 2.179 -5.699 -11.308 1.00 2.19 C ATOM 790 NH1 ARG A 431 1.340 -6.571 -11.795 1.00 2.78 N ATOM 791 NH2 ARG A 431 3.069 -5.145 -12.086 1.00 2.87 N ATOM 0 H ARG A 431 -2.309 -4.759 -5.987 1.00 0.33 H new ATOM 0 HA ARG A 431 -1.690 -7.196 -7.473 1.00 0.37 H new ATOM 0 HB2 ARG A 431 -1.357 -4.587 -7.915 1.00 0.41 H new ATOM 0 HB3 ARG A 431 0.075 -4.757 -6.919 1.00 0.41 H new ATOM 0 HG2 ARG A 431 0.863 -6.633 -8.437 1.00 0.59 H new ATOM 0 HG3 ARG A 431 -0.531 -6.354 -9.461 1.00 0.59 H new ATOM 0 HD2 ARG A 431 0.299 -4.297 -10.270 1.00 1.32 H new ATOM 0 HD3 ARG A 431 1.166 -3.939 -8.790 1.00 1.32 H new ATOM 0 HE ARG A 431 2.929 -5.572 -9.438 1.00 1.56 H new ATOM 0 HH11 ARG A 431 0.645 -7.005 -11.187 1.00 2.78 H new ATOM 0 HH12 ARG A 431 1.379 -6.819 -12.784 1.00 2.78 H new ATOM 0 HH21 ARG A 431 3.726 -4.464 -11.705 1.00 2.87 H new ATOM 0 HH22 ARG A 431 3.108 -5.393 -13.075 1.00 2.87 H new ATOM 805 N THR A 432 0.240 -6.469 -4.910 1.00 0.41 N ATOM 806 CA THR A 432 1.238 -7.103 -4.001 1.00 0.45 C ATOM 807 C THR A 432 0.694 -8.423 -3.445 1.00 0.40 C ATOM 808 O THR A 432 1.438 -9.343 -3.169 1.00 0.56 O ATOM 809 CB THR A 432 1.440 -6.093 -2.870 1.00 0.53 C ATOM 810 OG1 THR A 432 1.939 -4.877 -3.409 1.00 0.61 O ATOM 811 CG2 THR A 432 2.439 -6.654 -1.858 1.00 0.62 C ATOM 0 H THR A 432 0.001 -5.503 -4.686 1.00 0.41 H new ATOM 0 HA THR A 432 2.170 -7.337 -4.516 1.00 0.45 H new ATOM 0 HB THR A 432 0.489 -5.906 -2.372 1.00 0.53 H new ATOM 0 HG1 THR A 432 1.190 -4.315 -3.697 1.00 0.61 H new ATOM 0 HG21 THR A 432 2.583 -5.935 -1.052 1.00 0.62 H new ATOM 0 HG22 THR A 432 2.055 -7.588 -1.447 1.00 0.62 H new ATOM 0 HG23 THR A 432 3.392 -6.840 -2.353 1.00 0.62 H new ATOM 819 N LEU A 433 -0.595 -8.522 -3.272 1.00 0.33 N ATOM 820 CA LEU A 433 -1.179 -9.783 -2.728 1.00 0.30 C ATOM 821 C LEU A 433 -1.531 -10.746 -3.865 1.00 0.27 C ATOM 822 O LEU A 433 -1.030 -11.850 -3.932 1.00 0.25 O ATOM 823 CB LEU A 433 -2.443 -9.348 -1.984 1.00 0.37 C ATOM 824 CG LEU A 433 -2.448 -9.957 -0.579 1.00 0.42 C ATOM 825 CD1 LEU A 433 -2.452 -11.482 -0.683 1.00 0.41 C ATOM 826 CD2 LEU A 433 -1.197 -9.502 0.178 1.00 0.44 C ATOM 0 H LEU A 433 -1.269 -7.786 -3.483 1.00 0.33 H new ATOM 0 HA LEU A 433 -0.481 -10.308 -2.076 1.00 0.30 H new ATOM 0 HB2 LEU A 433 -2.483 -8.261 -1.920 1.00 0.37 H new ATOM 0 HB3 LEU A 433 -3.329 -9.668 -2.533 1.00 0.37 H new ATOM 0 HG LEU A 433 -3.339 -9.627 -0.044 1.00 0.42 H new ATOM 0 HD11 LEU A 433 -2.456 -11.915 0.317 1.00 0.41 H new ATOM 0 HD12 LEU A 433 -3.341 -11.808 -1.222 1.00 0.41 H new ATOM 0 HD13 LEU A 433 -1.562 -11.813 -1.218 1.00 0.41 H new ATOM 0 HD21 LEU A 433 -1.199 -9.935 1.178 1.00 0.44 H new ATOM 0 HD22 LEU A 433 -0.307 -9.832 -0.358 1.00 0.44 H new ATOM 0 HD23 LEU A 433 -1.193 -8.415 0.253 1.00 0.44 H new ATOM 838 N LEU A 434 -2.393 -10.340 -4.758 1.00 0.32 N ATOM 839 CA LEU A 434 -2.780 -11.238 -5.885 1.00 0.32 C ATOM 840 C LEU A 434 -1.533 -11.763 -6.606 1.00 0.29 C ATOM 841 O LEU A 434 -1.431 -12.933 -6.912 1.00 0.30 O ATOM 842 CB LEU A 434 -3.611 -10.362 -6.823 1.00 0.41 C ATOM 843 CG LEU A 434 -4.780 -11.178 -7.378 1.00 0.65 C ATOM 844 CD1 LEU A 434 -5.961 -11.098 -6.409 1.00 0.84 C ATOM 845 CD2 LEU A 434 -5.196 -10.611 -8.737 1.00 1.14 C ATOM 0 H LEU A 434 -2.846 -9.426 -4.756 1.00 0.32 H new ATOM 0 HA LEU A 434 -3.335 -12.111 -5.541 1.00 0.32 H new ATOM 0 HB2 LEU A 434 -3.984 -9.489 -6.288 1.00 0.41 H new ATOM 0 HB3 LEU A 434 -2.990 -9.994 -7.640 1.00 0.41 H new ATOM 0 HG LEU A 434 -4.476 -12.218 -7.496 1.00 0.65 H new ATOM 0 HD11 LEU A 434 -6.795 -11.679 -6.803 1.00 0.84 H new ATOM 0 HD12 LEU A 434 -5.665 -11.500 -5.440 1.00 0.84 H new ATOM 0 HD13 LEU A 434 -6.266 -10.058 -6.292 1.00 0.84 H new ATOM 0 HD21 LEU A 434 -6.029 -11.191 -9.134 1.00 1.14 H new ATOM 0 HD22 LEU A 434 -5.502 -9.571 -8.619 1.00 1.14 H new ATOM 0 HD23 LEU A 434 -4.354 -10.666 -9.427 1.00 1.14 H new ATOM 857 N THR A 435 -0.588 -10.907 -6.881 1.00 0.34 N ATOM 858 CA THR A 435 0.645 -11.364 -7.583 1.00 0.37 C ATOM 859 C THR A 435 1.406 -12.373 -6.720 1.00 0.35 C ATOM 860 O THR A 435 1.757 -13.448 -7.167 1.00 0.39 O ATOM 861 CB THR A 435 1.477 -10.097 -7.788 1.00 0.45 C ATOM 862 OG1 THR A 435 0.654 -9.079 -8.344 1.00 0.52 O ATOM 863 CG2 THR A 435 2.637 -10.393 -8.740 1.00 0.55 C ATOM 0 H THR A 435 -0.615 -9.914 -6.651 1.00 0.34 H new ATOM 0 HA THR A 435 0.421 -11.862 -8.526 1.00 0.37 H new ATOM 0 HB THR A 435 1.874 -9.763 -6.829 1.00 0.45 H new ATOM 0 HG1 THR A 435 0.114 -8.672 -7.635 1.00 0.52 H new ATOM 0 HG21 THR A 435 3.229 -9.489 -8.885 1.00 0.55 H new ATOM 0 HG22 THR A 435 3.267 -11.174 -8.314 1.00 0.55 H new ATOM 0 HG23 THR A 435 2.244 -10.727 -9.700 1.00 0.55 H new ATOM 871 N THR A 436 1.665 -12.038 -5.485 1.00 0.33 N ATOM 872 CA THR A 436 2.403 -12.982 -4.597 1.00 0.36 C ATOM 873 C THR A 436 1.621 -14.289 -4.448 1.00 0.36 C ATOM 874 O THR A 436 2.106 -15.353 -4.777 1.00 0.40 O ATOM 875 CB THR A 436 2.509 -12.262 -3.252 1.00 0.38 C ATOM 876 OG1 THR A 436 3.200 -11.033 -3.429 1.00 0.39 O ATOM 877 CG2 THR A 436 3.273 -13.139 -2.259 1.00 0.49 C ATOM 0 H THR A 436 1.398 -11.153 -5.053 1.00 0.33 H new ATOM 0 HA THR A 436 3.383 -13.243 -4.996 1.00 0.36 H new ATOM 0 HB THR A 436 1.509 -12.066 -2.865 1.00 0.38 H new ATOM 0 HG1 THR A 436 2.714 -10.316 -2.972 1.00 0.39 H new ATOM 0 HG21 THR A 436 3.347 -12.624 -1.301 1.00 0.49 H new ATOM 0 HG22 THR A 436 2.743 -14.082 -2.124 1.00 0.49 H new ATOM 0 HG23 THR A 436 4.274 -13.337 -2.643 1.00 0.49 H new ATOM 885 N ALA A 437 0.415 -14.222 -3.959 1.00 0.34 N ATOM 886 CA ALA A 437 -0.391 -15.464 -3.794 1.00 0.36 C ATOM 887 C ALA A 437 -0.494 -16.204 -5.130 1.00 0.36 C ATOM 888 O ALA A 437 -0.494 -17.418 -5.174 1.00 0.41 O ATOM 889 CB ALA A 437 -1.768 -14.987 -3.331 1.00 0.35 C ATOM 0 H ALA A 437 -0.048 -13.361 -3.666 1.00 0.34 H new ATOM 0 HA ALA A 437 0.056 -16.157 -3.081 1.00 0.36 H new ATOM 0 HB1 ALA A 437 -2.422 -15.847 -3.187 1.00 0.35 H new ATOM 0 HB2 ALA A 437 -1.668 -14.446 -2.390 1.00 0.35 H new ATOM 0 HB3 ALA A 437 -2.197 -14.328 -4.085 1.00 0.35 H new ATOM 895 N LEU A 438 -0.572 -15.490 -6.222 1.00 0.34 N ATOM 896 CA LEU A 438 -0.663 -16.182 -7.538 1.00 0.36 C ATOM 897 C LEU A 438 0.603 -17.004 -7.768 1.00 0.42 C ATOM 898 O LEU A 438 0.553 -18.097 -8.293 1.00 0.46 O ATOM 899 CB LEU A 438 -0.792 -15.079 -8.596 1.00 0.36 C ATOM 900 CG LEU A 438 -0.686 -15.700 -9.998 1.00 0.41 C ATOM 901 CD1 LEU A 438 -1.699 -16.840 -10.146 1.00 0.42 C ATOM 902 CD2 LEU A 438 -0.978 -14.638 -11.059 1.00 0.45 C ATOM 0 H LEU A 438 -0.577 -14.471 -6.259 1.00 0.34 H new ATOM 0 HA LEU A 438 -1.513 -16.863 -7.583 1.00 0.36 H new ATOM 0 HB2 LEU A 438 -1.746 -14.564 -8.486 1.00 0.36 H new ATOM 0 HB3 LEU A 438 -0.009 -14.333 -8.457 1.00 0.36 H new ATOM 0 HG LEU A 438 0.324 -16.089 -10.131 1.00 0.41 H new ATOM 0 HD11 LEU A 438 -1.616 -17.273 -11.143 1.00 0.42 H new ATOM 0 HD12 LEU A 438 -1.495 -17.607 -9.399 1.00 0.42 H new ATOM 0 HD13 LEU A 438 -2.707 -16.452 -10.002 1.00 0.42 H new ATOM 0 HD21 LEU A 438 -0.901 -15.084 -12.051 1.00 0.45 H new ATOM 0 HD22 LEU A 438 -1.985 -14.246 -10.914 1.00 0.45 H new ATOM 0 HD23 LEU A 438 -0.256 -13.826 -10.969 1.00 0.45 H new ATOM 914 N ARG A 439 1.743 -16.495 -7.372 1.00 0.43 N ATOM 915 CA ARG A 439 3.004 -17.269 -7.565 1.00 0.51 C ATOM 916 C ARG A 439 2.818 -18.682 -7.008 1.00 0.54 C ATOM 917 O ARG A 439 3.279 -19.653 -7.575 1.00 0.61 O ATOM 918 CB ARG A 439 4.074 -16.512 -6.777 1.00 0.52 C ATOM 919 CG ARG A 439 4.301 -15.138 -7.410 1.00 0.77 C ATOM 920 CD ARG A 439 5.671 -15.109 -8.092 1.00 1.28 C ATOM 921 NE ARG A 439 5.775 -13.750 -8.691 1.00 1.74 N ATOM 922 CZ ARG A 439 6.916 -13.118 -8.679 1.00 2.28 C ATOM 923 NH1 ARG A 439 7.320 -12.520 -7.591 1.00 2.82 N ATOM 924 NH2 ARG A 439 7.655 -13.085 -9.754 1.00 2.89 N ATOM 0 H ARG A 439 1.853 -15.584 -6.927 1.00 0.43 H new ATOM 0 HA ARG A 439 3.282 -17.363 -8.615 1.00 0.51 H new ATOM 0 HB2 ARG A 439 3.763 -16.398 -5.739 1.00 0.52 H new ATOM 0 HB3 ARG A 439 5.005 -17.079 -6.771 1.00 0.52 H new ATOM 0 HG2 ARG A 439 3.517 -14.927 -8.137 1.00 0.77 H new ATOM 0 HG3 ARG A 439 4.246 -14.361 -6.647 1.00 0.77 H new ATOM 0 HD2 ARG A 439 6.473 -15.287 -7.375 1.00 1.28 H new ATOM 0 HD3 ARG A 439 5.748 -15.884 -8.855 1.00 1.28 H new ATOM 0 HE ARG A 439 4.954 -13.313 -9.111 1.00 1.74 H new ATOM 0 HH11 ARG A 439 6.743 -12.547 -6.750 1.00 2.82 H new ATOM 0 HH12 ARG A 439 8.212 -12.026 -7.582 1.00 2.82 H new ATOM 0 HH21 ARG A 439 7.340 -13.553 -10.604 1.00 2.89 H new ATOM 0 HH22 ARG A 439 8.547 -12.591 -9.745 1.00 2.89 H new ATOM 938 N HIS A 440 2.111 -18.800 -5.915 1.00 0.52 N ATOM 939 CA HIS A 440 1.856 -20.148 -5.338 1.00 0.57 C ATOM 940 C HIS A 440 1.082 -20.974 -6.366 1.00 0.58 C ATOM 941 O HIS A 440 1.245 -22.173 -6.477 1.00 0.64 O ATOM 942 CB HIS A 440 1.005 -19.888 -4.093 1.00 0.56 C ATOM 943 CG HIS A 440 0.654 -21.197 -3.442 1.00 0.63 C ATOM 944 ND1 HIS A 440 1.283 -22.383 -3.785 1.00 1.04 N ATOM 945 CD2 HIS A 440 -0.258 -21.521 -2.468 1.00 0.82 C ATOM 946 CE1 HIS A 440 0.746 -23.358 -3.028 1.00 0.96 C ATOM 947 NE2 HIS A 440 -0.198 -22.887 -2.209 1.00 0.75 N ATOM 0 H HIS A 440 1.701 -18.021 -5.399 1.00 0.52 H new ATOM 0 HA HIS A 440 2.765 -20.694 -5.087 1.00 0.57 H new ATOM 0 HB2 HIS A 440 1.551 -19.256 -3.392 1.00 0.56 H new ATOM 0 HB3 HIS A 440 0.097 -19.351 -4.366 1.00 0.56 H new ATOM 0 HD1 HIS A 440 2.018 -22.496 -4.483 1.00 1.04 H new ATOM 0 HD2 HIS A 440 -0.920 -20.823 -1.978 1.00 0.82 H new ATOM 0 HE1 HIS A 440 1.043 -24.395 -3.077 1.00 0.96 H new ATOM 955 N THR A 441 0.254 -20.317 -7.133 1.00 0.54 N ATOM 956 CA THR A 441 -0.535 -21.018 -8.188 1.00 0.55 C ATOM 957 C THR A 441 -0.301 -20.308 -9.525 1.00 0.56 C ATOM 958 O THR A 441 -1.228 -19.975 -10.235 1.00 0.55 O ATOM 959 CB THR A 441 -2.002 -20.886 -7.758 1.00 0.53 C ATOM 960 OG1 THR A 441 -2.413 -19.534 -7.900 1.00 0.48 O ATOM 961 CG2 THR A 441 -2.164 -21.317 -6.298 1.00 0.54 C ATOM 0 H THR A 441 0.089 -19.312 -7.073 1.00 0.54 H new ATOM 0 HA THR A 441 -0.253 -22.064 -8.305 1.00 0.55 H new ATOM 0 HB THR A 441 -2.618 -21.528 -8.388 1.00 0.53 H new ATOM 0 HG1 THR A 441 -2.514 -19.321 -8.851 1.00 0.48 H new ATOM 0 HG21 THR A 441 -3.209 -21.219 -6.004 1.00 0.54 H new ATOM 0 HG22 THR A 441 -1.852 -22.356 -6.188 1.00 0.54 H new ATOM 0 HG23 THR A 441 -1.547 -20.683 -5.661 1.00 0.54 H new ATOM 969 N GLN A 442 0.943 -20.051 -9.849 1.00 0.59 N ATOM 970 CA GLN A 442 1.280 -19.336 -11.118 1.00 0.62 C ATOM 971 C GLN A 442 0.439 -19.840 -12.294 1.00 0.64 C ATOM 972 O GLN A 442 0.396 -21.019 -12.584 1.00 0.69 O ATOM 973 CB GLN A 442 2.759 -19.642 -11.356 1.00 0.69 C ATOM 974 CG GLN A 442 2.964 -21.156 -11.424 1.00 1.43 C ATOM 975 CD GLN A 442 4.091 -21.563 -10.473 1.00 1.79 C ATOM 976 OE1 GLN A 442 3.855 -22.225 -9.481 1.00 2.16 O ATOM 977 NE2 GLN A 442 5.314 -21.190 -10.733 1.00 2.47 N ATOM 0 H GLN A 442 1.749 -20.310 -9.280 1.00 0.59 H new ATOM 0 HA GLN A 442 1.076 -18.268 -11.039 1.00 0.62 H new ATOM 0 HB2 GLN A 442 3.092 -19.177 -12.284 1.00 0.69 H new ATOM 0 HB3 GLN A 442 3.362 -19.219 -10.553 1.00 0.69 H new ATOM 0 HG2 GLN A 442 2.042 -21.671 -11.153 1.00 1.43 H new ATOM 0 HG3 GLN A 442 3.209 -21.455 -12.443 1.00 1.43 H new ATOM 0 HE21 GLN A 442 5.512 -20.635 -11.565 1.00 2.47 H new ATOM 0 HE22 GLN A 442 6.072 -21.454 -10.104 1.00 2.47 H new ATOM 986 N GLY A 443 -0.222 -18.946 -12.979 1.00 0.63 N ATOM 987 CA GLY A 443 -1.055 -19.355 -14.143 1.00 0.66 C ATOM 988 C GLY A 443 -2.465 -19.716 -13.674 1.00 0.64 C ATOM 989 O GLY A 443 -3.446 -19.304 -14.261 1.00 0.66 O ATOM 0 H GLY A 443 -0.220 -17.946 -12.780 1.00 0.63 H new ATOM 0 HA2 GLY A 443 -1.101 -18.545 -14.871 1.00 0.66 H new ATOM 0 HA3 GLY A 443 -0.600 -20.209 -14.645 1.00 0.66 H new ATOM 993 N HIS A 444 -2.580 -20.481 -12.624 1.00 0.62 N ATOM 994 CA HIS A 444 -3.933 -20.864 -12.126 1.00 0.62 C ATOM 995 C HIS A 444 -4.794 -19.613 -11.931 1.00 0.67 C ATOM 996 O HIS A 444 -5.876 -19.505 -12.473 1.00 1.34 O ATOM 997 CB HIS A 444 -3.685 -21.558 -10.787 1.00 0.63 C ATOM 998 CG HIS A 444 -4.538 -22.794 -10.697 1.00 0.95 C ATOM 999 ND1 HIS A 444 -4.355 -23.990 -10.047 1.00 1.52 N flip ATOM 1000 CD2 HIS A 444 -5.765 -22.894 -11.335 1.00 1.62 C flip ATOM 1001 CE1 HIS A 444 -5.448 -24.819 -10.276 1.00 1.77 C flip ATOM 1002 NE2 HIS A 444 -6.268 -24.111 -11.057 1.00 1.86 N flip ATOM 0 H HIS A 444 -1.797 -20.858 -12.089 1.00 0.62 H new ATOM 0 HA HIS A 444 -4.462 -21.511 -12.825 1.00 0.62 H new ATOM 0 HB2 HIS A 444 -2.632 -21.822 -10.692 1.00 0.63 H new ATOM 0 HB3 HIS A 444 -3.919 -20.881 -9.965 1.00 0.63 H new ATOM 0 HD2 HIS A 444 -6.232 -22.134 -11.944 1.00 1.62 H new ATOM 0 HE1 HIS A 444 -5.601 -25.821 -9.902 1.00 1.77 H new ATOM 0 HE2 HIS A 444 -7.166 -24.451 -11.401 1.00 1.86 H new ATOM 1010 N LYS A 445 -4.317 -18.664 -11.161 1.00 0.62 N ATOM 1011 CA LYS A 445 -5.095 -17.406 -10.915 1.00 0.51 C ATOM 1012 C LYS A 445 -6.365 -17.714 -10.113 1.00 0.51 C ATOM 1013 O LYS A 445 -6.537 -17.248 -9.004 1.00 0.57 O ATOM 1014 CB LYS A 445 -5.453 -16.850 -12.298 1.00 0.62 C ATOM 1015 CG LYS A 445 -5.219 -15.338 -12.316 1.00 1.31 C ATOM 1016 CD LYS A 445 -5.706 -14.761 -13.646 1.00 1.56 C ATOM 1017 CE LYS A 445 -4.553 -14.752 -14.652 1.00 2.23 C ATOM 1018 NZ LYS A 445 -4.684 -13.458 -15.377 1.00 2.52 N ATOM 0 H LYS A 445 -3.414 -18.707 -10.688 1.00 0.62 H new ATOM 0 HA LYS A 445 -4.517 -16.685 -10.337 1.00 0.51 H new ATOM 0 HB2 LYS A 445 -4.845 -17.332 -13.064 1.00 0.62 H new ATOM 0 HB3 LYS A 445 -6.495 -17.070 -12.532 1.00 0.62 H new ATOM 0 HG2 LYS A 445 -5.749 -14.868 -11.488 1.00 1.31 H new ATOM 0 HG3 LYS A 445 -4.159 -15.122 -12.180 1.00 1.31 H new ATOM 0 HD2 LYS A 445 -6.534 -15.356 -14.031 1.00 1.56 H new ATOM 0 HD3 LYS A 445 -6.082 -13.749 -13.499 1.00 1.56 H new ATOM 0 HE2 LYS A 445 -3.589 -14.826 -14.148 1.00 2.23 H new ATOM 0 HE3 LYS A 445 -4.621 -15.597 -15.337 1.00 2.23 H new ATOM 0 HZ1 LYS A 445 -3.927 -13.379 -16.085 1.00 2.52 H new ATOM 0 HZ2 LYS A 445 -5.608 -13.418 -15.852 1.00 2.52 H new ATOM 0 HZ3 LYS A 445 -4.609 -12.672 -14.700 1.00 2.52 H new ATOM 1032 N GLN A 446 -7.252 -18.499 -10.662 1.00 0.53 N ATOM 1033 CA GLN A 446 -8.505 -18.841 -9.931 1.00 0.56 C ATOM 1034 C GLN A 446 -8.172 -19.376 -8.537 1.00 0.52 C ATOM 1035 O GLN A 446 -8.837 -19.069 -7.567 1.00 0.51 O ATOM 1036 CB GLN A 446 -9.172 -19.925 -10.779 1.00 0.64 C ATOM 1037 CG GLN A 446 -10.683 -19.695 -10.806 1.00 1.11 C ATOM 1038 CD GLN A 446 -11.366 -20.678 -9.852 1.00 1.79 C ATOM 1039 OE1 GLN A 446 -10.866 -21.760 -9.617 1.00 2.45 O ATOM 1040 NE2 GLN A 446 -12.495 -20.345 -9.290 1.00 2.40 N ATOM 0 H GLN A 446 -7.162 -18.919 -11.587 1.00 0.53 H new ATOM 0 HA GLN A 446 -9.154 -17.976 -9.792 1.00 0.56 H new ATOM 0 HB2 GLN A 446 -8.772 -19.905 -11.793 1.00 0.64 H new ATOM 0 HB3 GLN A 446 -8.951 -20.910 -10.368 1.00 0.64 H new ATOM 0 HG2 GLN A 446 -10.911 -18.670 -10.513 1.00 1.11 H new ATOM 0 HG3 GLN A 446 -11.064 -19.830 -11.818 1.00 1.11 H new ATOM 0 HE21 GLN A 446 -12.915 -19.436 -9.487 1.00 2.40 H new ATOM 0 HE22 GLN A 446 -12.958 -20.993 -8.653 1.00 2.40 H new ATOM 1049 N GLU A 447 -7.143 -20.173 -8.427 1.00 0.52 N ATOM 1050 CA GLU A 447 -6.764 -20.722 -7.092 1.00 0.51 C ATOM 1051 C GLU A 447 -6.599 -19.580 -6.087 1.00 0.45 C ATOM 1052 O GLU A 447 -6.919 -19.714 -4.922 1.00 0.45 O ATOM 1053 CB GLU A 447 -5.430 -21.433 -7.320 1.00 0.53 C ATOM 1054 CG GLU A 447 -5.642 -22.947 -7.268 1.00 0.80 C ATOM 1055 CD GLU A 447 -5.800 -23.390 -5.813 1.00 1.32 C ATOM 1056 OE1 GLU A 447 -6.759 -22.970 -5.188 1.00 2.14 O ATOM 1057 OE2 GLU A 447 -4.959 -24.142 -5.349 1.00 1.96 O ATOM 0 H GLU A 447 -6.549 -20.467 -9.202 1.00 0.52 H new ATOM 0 HA GLU A 447 -7.519 -21.397 -6.690 1.00 0.51 H new ATOM 0 HB2 GLU A 447 -5.014 -21.147 -8.286 1.00 0.53 H new ATOM 0 HB3 GLU A 447 -4.710 -21.130 -6.560 1.00 0.53 H new ATOM 0 HG2 GLU A 447 -6.528 -23.221 -7.841 1.00 0.80 H new ATOM 0 HG3 GLU A 447 -4.796 -23.459 -7.725 1.00 0.80 H new ATOM 1064 N ALA A 448 -6.108 -18.456 -6.531 1.00 0.42 N ATOM 1065 CA ALA A 448 -5.929 -17.305 -5.603 1.00 0.39 C ATOM 1066 C ALA A 448 -7.269 -16.943 -4.958 1.00 0.40 C ATOM 1067 O ALA A 448 -7.320 -16.337 -3.906 1.00 0.40 O ATOM 1068 CB ALA A 448 -5.428 -16.160 -6.483 1.00 0.39 C ATOM 0 H ALA A 448 -5.823 -18.285 -7.495 1.00 0.42 H new ATOM 0 HA ALA A 448 -5.234 -17.527 -4.793 1.00 0.39 H new ATOM 0 HB1 ALA A 448 -5.271 -15.272 -5.871 1.00 0.39 H new ATOM 0 HB2 ALA A 448 -4.487 -16.447 -6.953 1.00 0.39 H new ATOM 0 HB3 ALA A 448 -6.167 -15.943 -7.254 1.00 0.39 H new ATOM 1074 N ALA A 449 -8.355 -17.311 -5.582 1.00 0.44 N ATOM 1075 CA ALA A 449 -9.690 -16.990 -5.006 1.00 0.47 C ATOM 1076 C ALA A 449 -9.793 -17.537 -3.580 1.00 0.48 C ATOM 1077 O ALA A 449 -9.977 -16.800 -2.633 1.00 0.49 O ATOM 1078 CB ALA A 449 -10.695 -17.691 -5.922 1.00 0.52 C ATOM 0 H ALA A 449 -8.374 -17.820 -6.466 1.00 0.44 H new ATOM 0 HA ALA A 449 -9.869 -15.916 -4.950 1.00 0.47 H new ATOM 0 HB1 ALA A 449 -11.707 -17.502 -5.564 1.00 0.52 H new ATOM 0 HB2 ALA A 449 -10.592 -17.307 -6.937 1.00 0.52 H new ATOM 0 HB3 ALA A 449 -10.503 -18.764 -5.919 1.00 0.52 H new ATOM 1084 N ARG A 450 -9.678 -18.827 -3.423 1.00 0.49 N ATOM 1085 CA ARG A 450 -9.770 -19.425 -2.060 1.00 0.52 C ATOM 1086 C ARG A 450 -8.536 -19.052 -1.234 1.00 0.49 C ATOM 1087 O ARG A 450 -8.607 -18.888 -0.032 1.00 0.50 O ATOM 1088 CB ARG A 450 -9.824 -20.936 -2.293 1.00 0.56 C ATOM 1089 CG ARG A 450 -10.953 -21.544 -1.458 1.00 0.78 C ATOM 1090 CD ARG A 450 -10.498 -22.887 -0.881 1.00 1.37 C ATOM 1091 NE ARG A 450 -11.726 -23.732 -0.859 1.00 1.77 N ATOM 1092 CZ ARG A 450 -12.162 -24.221 0.270 1.00 2.35 C ATOM 1093 NH1 ARG A 450 -11.321 -24.720 1.134 1.00 2.93 N ATOM 1094 NH2 ARG A 450 -13.440 -24.213 0.534 1.00 2.97 N ATOM 0 H ARG A 450 -9.524 -19.494 -4.180 1.00 0.49 H new ATOM 0 HA ARG A 450 -10.640 -19.066 -1.510 1.00 0.52 H new ATOM 0 HB2 ARG A 450 -9.987 -21.146 -3.350 1.00 0.56 H new ATOM 0 HB3 ARG A 450 -8.871 -21.390 -2.021 1.00 0.56 H new ATOM 0 HG2 ARG A 450 -11.229 -20.865 -0.651 1.00 0.78 H new ATOM 0 HG3 ARG A 450 -11.841 -21.684 -2.075 1.00 0.78 H new ATOM 0 HD2 ARG A 450 -9.719 -23.338 -1.496 1.00 1.37 H new ATOM 0 HD3 ARG A 450 -10.083 -22.767 0.120 1.00 1.37 H new ATOM 0 HE ARG A 450 -12.226 -23.928 -1.726 1.00 1.77 H new ATOM 0 HH11 ARG A 450 -10.322 -24.728 0.927 1.00 2.93 H new ATOM 0 HH12 ARG A 450 -11.662 -25.102 2.016 1.00 2.93 H new ATOM 0 HH21 ARG A 450 -14.098 -23.825 -0.142 1.00 2.97 H new ATOM 0 HH22 ARG A 450 -13.781 -24.595 1.416 1.00 2.97 H new ATOM 1108 N LEU A 451 -7.404 -18.916 -1.870 1.00 0.47 N ATOM 1109 CA LEU A 451 -6.167 -18.552 -1.121 1.00 0.47 C ATOM 1110 C LEU A 451 -6.305 -17.149 -0.523 1.00 0.44 C ATOM 1111 O LEU A 451 -5.651 -16.810 0.444 1.00 0.48 O ATOM 1112 CB LEU A 451 -5.048 -18.584 -2.163 1.00 0.46 C ATOM 1113 CG LEU A 451 -4.285 -19.904 -2.053 1.00 0.53 C ATOM 1114 CD1 LEU A 451 -3.728 -20.287 -3.425 1.00 0.92 C ATOM 1115 CD2 LEU A 451 -3.129 -19.743 -1.061 1.00 1.04 C ATOM 0 H LEU A 451 -7.282 -19.041 -2.875 1.00 0.47 H new ATOM 0 HA LEU A 451 -5.971 -19.232 -0.292 1.00 0.47 H new ATOM 0 HB2 LEU A 451 -5.466 -18.476 -3.164 1.00 0.46 H new ATOM 0 HB3 LEU A 451 -4.369 -17.745 -2.009 1.00 0.46 H new ATOM 0 HG LEU A 451 -4.959 -20.686 -1.703 1.00 0.53 H new ATOM 0 HD11 LEU A 451 -3.184 -21.228 -3.347 1.00 0.92 H new ATOM 0 HD12 LEU A 451 -4.549 -20.400 -4.132 1.00 0.92 H new ATOM 0 HD13 LEU A 451 -3.053 -19.506 -3.775 1.00 0.92 H new ATOM 0 HD21 LEU A 451 -2.584 -20.684 -0.982 1.00 1.04 H new ATOM 0 HD22 LEU A 451 -2.455 -18.962 -1.412 1.00 1.04 H new ATOM 0 HD23 LEU A 451 -3.524 -19.469 -0.083 1.00 1.04 H new ATOM 1127 N LEU A 452 -7.149 -16.332 -1.091 1.00 0.42 N ATOM 1128 CA LEU A 452 -7.326 -14.952 -0.554 1.00 0.41 C ATOM 1129 C LEU A 452 -8.714 -14.795 0.081 1.00 0.46 C ATOM 1130 O LEU A 452 -9.139 -13.700 0.392 1.00 0.51 O ATOM 1131 CB LEU A 452 -7.194 -14.032 -1.768 1.00 0.37 C ATOM 1132 CG LEU A 452 -5.869 -14.301 -2.485 1.00 0.35 C ATOM 1133 CD1 LEU A 452 -5.885 -13.620 -3.854 1.00 0.31 C ATOM 1134 CD2 LEU A 452 -4.713 -13.739 -1.652 1.00 0.43 C ATOM 0 H LEU A 452 -7.723 -16.559 -1.903 1.00 0.42 H new ATOM 0 HA LEU A 452 -6.594 -14.721 0.220 1.00 0.41 H new ATOM 0 HB2 LEU A 452 -8.027 -14.196 -2.452 1.00 0.37 H new ATOM 0 HB3 LEU A 452 -7.241 -12.990 -1.452 1.00 0.37 H new ATOM 0 HG LEU A 452 -5.737 -15.375 -2.612 1.00 0.35 H new ATOM 0 HD11 LEU A 452 -4.942 -13.811 -4.366 1.00 0.31 H new ATOM 0 HD12 LEU A 452 -6.708 -14.018 -4.449 1.00 0.31 H new ATOM 0 HD13 LEU A 452 -6.017 -12.546 -3.724 1.00 0.31 H new ATOM 0 HD21 LEU A 452 -3.769 -13.931 -2.163 1.00 0.43 H new ATOM 0 HD22 LEU A 452 -4.845 -12.665 -1.525 1.00 0.43 H new ATOM 0 HD23 LEU A 452 -4.701 -14.221 -0.675 1.00 0.43 H new ATOM 1146 N GLY A 453 -9.428 -15.873 0.271 1.00 0.50 N ATOM 1147 CA GLY A 453 -10.785 -15.763 0.879 1.00 0.56 C ATOM 1148 C GLY A 453 -11.644 -14.825 0.031 1.00 0.58 C ATOM 1149 O GLY A 453 -12.387 -14.010 0.541 1.00 0.68 O ATOM 0 H GLY A 453 -9.132 -16.820 0.033 1.00 0.50 H new ATOM 0 HA2 GLY A 453 -11.250 -16.747 0.938 1.00 0.56 H new ATOM 0 HA3 GLY A 453 -10.710 -15.384 1.898 1.00 0.56 H new ATOM 1153 N TRP A 454 -11.539 -14.932 -1.264 1.00 0.54 N ATOM 1154 CA TRP A 454 -12.340 -14.046 -2.158 1.00 0.60 C ATOM 1155 C TRP A 454 -13.373 -14.866 -2.936 1.00 0.68 C ATOM 1156 O TRP A 454 -14.547 -14.866 -2.623 1.00 1.16 O ATOM 1157 CB TRP A 454 -11.320 -13.434 -3.122 1.00 0.53 C ATOM 1158 CG TRP A 454 -10.767 -12.159 -2.560 1.00 0.53 C ATOM 1159 CD1 TRP A 454 -10.727 -11.831 -1.244 1.00 0.58 C ATOM 1160 CD2 TRP A 454 -10.167 -11.042 -3.277 1.00 0.50 C ATOM 1161 NE1 TRP A 454 -10.144 -10.582 -1.108 1.00 0.58 N ATOM 1162 CE2 TRP A 454 -9.780 -10.051 -2.328 1.00 0.52 C ATOM 1163 CE3 TRP A 454 -9.922 -10.788 -4.653 1.00 0.51 C ATOM 1164 CZ2 TRP A 454 -9.169 -8.849 -2.729 1.00 0.52 C ATOM 1165 CZ3 TRP A 454 -9.307 -9.579 -5.060 1.00 0.53 C ATOM 1166 CH2 TRP A 454 -8.931 -8.612 -4.099 1.00 0.52 C ATOM 0 H TRP A 454 -10.932 -15.596 -1.744 1.00 0.54 H new ATOM 0 HA TRP A 454 -12.889 -13.288 -1.599 1.00 0.60 H new ATOM 0 HB2 TRP A 454 -10.510 -14.141 -3.301 1.00 0.53 H new ATOM 0 HB3 TRP A 454 -11.792 -13.239 -4.085 1.00 0.53 H new ATOM 0 HD1 TRP A 454 -11.091 -12.445 -0.433 1.00 0.58 H new ATOM 0 HE1 TRP A 454 -10.001 -10.112 -0.214 1.00 0.58 H new ATOM 0 HE3 TRP A 454 -10.206 -11.521 -5.393 1.00 0.51 H new ATOM 0 HZ2 TRP A 454 -8.884 -8.112 -1.993 1.00 0.52 H new ATOM 0 HZ3 TRP A 454 -9.124 -9.395 -6.108 1.00 0.53 H new ATOM 0 HH2 TRP A 454 -8.462 -7.692 -4.414 1.00 0.52 H new ATOM 1177 N GLY A 455 -12.940 -15.558 -3.954 1.00 0.72 N ATOM 1178 CA GLY A 455 -13.887 -16.374 -4.765 1.00 0.72 C ATOM 1179 C GLY A 455 -13.652 -16.082 -6.247 1.00 0.70 C ATOM 1180 O GLY A 455 -12.660 -15.491 -6.619 1.00 0.64 O ATOM 0 H GLY A 455 -11.968 -15.593 -4.260 1.00 0.72 H new ATOM 0 HA2 GLY A 455 -13.739 -17.435 -4.562 1.00 0.72 H new ATOM 0 HA3 GLY A 455 -14.916 -16.138 -4.493 1.00 0.72 H new ATOM 1184 N ALA A 456 -14.553 -16.489 -7.098 1.00 0.77 N ATOM 1185 CA ALA A 456 -14.371 -16.227 -8.555 1.00 0.77 C ATOM 1186 C ALA A 456 -15.009 -14.887 -8.932 1.00 0.82 C ATOM 1187 O ALA A 456 -14.603 -14.238 -9.875 1.00 0.83 O ATOM 1188 CB ALA A 456 -15.085 -17.381 -9.260 1.00 0.84 C ATOM 0 H ALA A 456 -15.406 -16.991 -6.849 1.00 0.77 H new ATOM 0 HA ALA A 456 -13.320 -16.169 -8.837 1.00 0.77 H new ATOM 0 HB1 ALA A 456 -14.995 -17.259 -10.339 1.00 0.84 H new ATOM 0 HB2 ALA A 456 -14.631 -18.326 -8.963 1.00 0.84 H new ATOM 0 HB3 ALA A 456 -16.139 -17.382 -8.981 1.00 0.84 H new ATOM 1194 N ALA A 457 -16.005 -14.468 -8.200 1.00 0.90 N ATOM 1195 CA ALA A 457 -16.667 -13.170 -8.515 1.00 0.97 C ATOM 1196 C ALA A 457 -15.762 -12.005 -8.106 1.00 0.89 C ATOM 1197 O ALA A 457 -15.557 -11.072 -8.856 1.00 0.91 O ATOM 1198 CB ALA A 457 -17.952 -13.167 -7.687 1.00 1.08 C ATOM 0 H ALA A 457 -16.389 -14.968 -7.398 1.00 0.90 H new ATOM 0 HA ALA A 457 -16.870 -13.058 -9.580 1.00 0.97 H new ATOM 0 HB1 ALA A 457 -18.497 -12.240 -7.865 1.00 1.08 H new ATOM 0 HB2 ALA A 457 -18.573 -14.015 -7.976 1.00 1.08 H new ATOM 0 HB3 ALA A 457 -17.703 -13.244 -6.629 1.00 1.08 H new ATOM 1204 N THR A 458 -15.218 -12.055 -6.921 1.00 0.84 N ATOM 1205 CA THR A 458 -14.324 -10.951 -6.466 1.00 0.77 C ATOM 1206 C THR A 458 -13.056 -10.916 -7.323 1.00 0.68 C ATOM 1207 O THR A 458 -12.683 -9.889 -7.856 1.00 0.67 O ATOM 1208 CB THR A 458 -13.986 -11.289 -5.012 1.00 0.76 C ATOM 1209 OG1 THR A 458 -15.185 -11.561 -4.301 1.00 0.85 O ATOM 1210 CG2 THR A 458 -13.264 -10.107 -4.365 1.00 0.72 C ATOM 0 H THR A 458 -15.353 -12.810 -6.249 1.00 0.84 H new ATOM 0 HA THR A 458 -14.794 -9.971 -6.555 1.00 0.77 H new ATOM 0 HB THR A 458 -13.339 -12.165 -4.983 1.00 0.76 H new ATOM 0 HG1 THR A 458 -14.971 -11.779 -3.370 1.00 0.85 H new ATOM 0 HG21 THR A 458 -13.024 -10.350 -3.330 1.00 0.72 H new ATOM 0 HG22 THR A 458 -12.344 -9.899 -4.911 1.00 0.72 H new ATOM 0 HG23 THR A 458 -13.908 -9.228 -4.392 1.00 0.72 H new ATOM 1218 N LEU A 459 -12.391 -12.031 -7.463 1.00 0.64 N ATOM 1219 CA LEU A 459 -11.149 -12.059 -8.290 1.00 0.57 C ATOM 1220 C LEU A 459 -11.435 -11.494 -9.684 1.00 0.60 C ATOM 1221 O LEU A 459 -10.574 -10.921 -10.321 1.00 0.58 O ATOM 1222 CB LEU A 459 -10.762 -13.538 -8.373 1.00 0.56 C ATOM 1223 CG LEU A 459 -9.369 -13.734 -7.772 1.00 0.47 C ATOM 1224 CD1 LEU A 459 -9.242 -15.154 -7.223 1.00 0.48 C ATOM 1225 CD2 LEU A 459 -8.311 -13.521 -8.852 1.00 0.46 C ATOM 0 H LEU A 459 -12.653 -12.922 -7.042 1.00 0.64 H new ATOM 0 HA LEU A 459 -10.349 -11.455 -7.861 1.00 0.57 H new ATOM 0 HB2 LEU A 459 -11.490 -14.146 -7.837 1.00 0.56 H new ATOM 0 HB3 LEU A 459 -10.772 -13.870 -9.411 1.00 0.56 H new ATOM 0 HG LEU A 459 -9.223 -13.014 -6.966 1.00 0.47 H new ATOM 0 HD11 LEU A 459 -8.249 -15.291 -6.795 1.00 0.48 H new ATOM 0 HD12 LEU A 459 -9.995 -15.314 -6.451 1.00 0.48 H new ATOM 0 HD13 LEU A 459 -9.392 -15.871 -8.030 1.00 0.48 H new ATOM 0 HD21 LEU A 459 -7.319 -13.661 -8.422 1.00 0.46 H new ATOM 0 HD22 LEU A 459 -8.463 -14.240 -9.657 1.00 0.46 H new ATOM 0 HD23 LEU A 459 -8.395 -12.509 -9.249 1.00 0.46 H new ATOM 1237 N THR A 460 -12.640 -11.647 -10.159 1.00 0.68 N ATOM 1238 CA THR A 460 -12.985 -11.115 -11.509 1.00 0.74 C ATOM 1239 C THR A 460 -13.504 -9.678 -11.392 1.00 0.76 C ATOM 1240 O THR A 460 -13.057 -8.788 -12.088 1.00 0.75 O ATOM 1241 CB THR A 460 -14.081 -12.043 -12.033 1.00 0.83 C ATOM 1242 OG1 THR A 460 -13.558 -13.355 -12.182 1.00 0.82 O ATOM 1243 CG2 THR A 460 -14.580 -11.532 -13.386 1.00 0.92 C ATOM 0 H THR A 460 -13.402 -12.118 -9.671 1.00 0.68 H new ATOM 0 HA THR A 460 -12.124 -11.088 -12.176 1.00 0.74 H new ATOM 0 HB THR A 460 -14.911 -12.062 -11.326 1.00 0.83 H new ATOM 0 HG1 THR A 460 -13.949 -13.942 -11.501 1.00 0.82 H new ATOM 0 HG21 THR A 460 -15.361 -12.194 -13.759 1.00 0.92 H new ATOM 0 HG22 THR A 460 -14.982 -10.526 -13.269 1.00 0.92 H new ATOM 0 HG23 THR A 460 -13.752 -11.512 -14.095 1.00 0.92 H new ATOM 1251 N ALA A 461 -14.445 -9.447 -10.517 1.00 0.81 N ATOM 1252 CA ALA A 461 -14.992 -8.068 -10.357 1.00 0.85 C ATOM 1253 C ALA A 461 -13.891 -7.112 -9.894 1.00 0.79 C ATOM 1254 O ALA A 461 -13.867 -5.953 -10.260 1.00 0.83 O ATOM 1255 CB ALA A 461 -16.078 -8.193 -9.287 1.00 0.92 C ATOM 0 H ALA A 461 -14.858 -10.152 -9.907 1.00 0.81 H new ATOM 0 HA ALA A 461 -15.385 -7.670 -11.292 1.00 0.85 H new ATOM 0 HB1 ALA A 461 -16.530 -7.217 -9.112 1.00 0.92 H new ATOM 0 HB2 ALA A 461 -16.843 -8.892 -9.625 1.00 0.92 H new ATOM 0 HB3 ALA A 461 -15.636 -8.560 -8.361 1.00 0.92 H new ATOM 1261 N LYS A 462 -12.980 -7.587 -9.090 1.00 0.72 N ATOM 1262 CA LYS A 462 -11.882 -6.704 -8.602 1.00 0.68 C ATOM 1263 C LYS A 462 -10.881 -6.431 -9.730 1.00 0.66 C ATOM 1264 O LYS A 462 -10.137 -5.471 -9.694 1.00 0.67 O ATOM 1265 CB LYS A 462 -11.215 -7.488 -7.471 1.00 0.66 C ATOM 1266 CG LYS A 462 -10.508 -6.518 -6.523 1.00 0.99 C ATOM 1267 CD LYS A 462 -11.549 -5.744 -5.711 1.00 0.91 C ATOM 1268 CE LYS A 462 -11.186 -5.801 -4.226 1.00 1.31 C ATOM 1269 NZ LYS A 462 -12.488 -5.720 -3.509 1.00 1.39 N ATOM 0 H LYS A 462 -12.948 -8.548 -8.750 1.00 0.72 H new ATOM 0 HA LYS A 462 -12.251 -5.736 -8.264 1.00 0.68 H new ATOM 0 HB2 LYS A 462 -11.961 -8.066 -6.926 1.00 0.66 H new ATOM 0 HB3 LYS A 462 -10.498 -8.199 -7.881 1.00 0.66 H new ATOM 0 HG2 LYS A 462 -9.844 -7.066 -5.854 1.00 0.99 H new ATOM 0 HG3 LYS A 462 -9.887 -5.826 -7.091 1.00 0.99 H new ATOM 0 HD2 LYS A 462 -11.590 -4.708 -6.046 1.00 0.91 H new ATOM 0 HD3 LYS A 462 -12.540 -6.170 -5.870 1.00 0.91 H new ATOM 0 HE2 LYS A 462 -10.658 -6.723 -3.984 1.00 1.31 H new ATOM 0 HE3 LYS A 462 -10.530 -4.976 -3.948 1.00 1.31 H new ATOM 0 HZ1 LYS A 462 -12.322 -5.753 -2.483 1.00 1.39 H new ATOM 0 HZ2 LYS A 462 -12.964 -4.829 -3.754 1.00 1.39 H new ATOM 0 HZ3 LYS A 462 -13.089 -6.522 -3.789 1.00 1.39 H new ATOM 1283 N LEU A 463 -10.858 -7.268 -10.731 1.00 0.65 N ATOM 1284 CA LEU A 463 -9.906 -7.054 -11.860 1.00 0.65 C ATOM 1285 C LEU A 463 -10.302 -5.809 -12.657 1.00 0.68 C ATOM 1286 O LEU A 463 -9.467 -5.013 -13.038 1.00 0.70 O ATOM 1287 CB LEU A 463 -10.030 -8.308 -12.725 1.00 0.68 C ATOM 1288 CG LEU A 463 -8.823 -8.403 -13.659 1.00 0.81 C ATOM 1289 CD1 LEU A 463 -7.881 -9.503 -13.166 1.00 0.99 C ATOM 1290 CD2 LEU A 463 -9.300 -8.737 -15.074 1.00 0.99 C ATOM 0 H LEU A 463 -11.456 -8.090 -10.817 1.00 0.65 H new ATOM 0 HA LEU A 463 -8.884 -6.897 -11.515 1.00 0.65 H new ATOM 0 HB2 LEU A 463 -10.085 -9.195 -12.093 1.00 0.68 H new ATOM 0 HB3 LEU A 463 -10.951 -8.272 -13.306 1.00 0.68 H new ATOM 0 HG LEU A 463 -8.294 -7.450 -13.668 1.00 0.81 H new ATOM 0 HD11 LEU A 463 -7.021 -9.571 -13.832 1.00 0.99 H new ATOM 0 HD12 LEU A 463 -7.542 -9.266 -12.158 1.00 0.99 H new ATOM 0 HD13 LEU A 463 -8.409 -10.457 -13.157 1.00 0.99 H new ATOM 0 HD21 LEU A 463 -8.441 -8.805 -15.741 1.00 0.99 H new ATOM 0 HD22 LEU A 463 -9.828 -9.690 -15.064 1.00 0.99 H new ATOM 0 HD23 LEU A 463 -9.971 -7.954 -15.426 1.00 0.99 H new ATOM 1302 N LYS A 464 -11.569 -5.634 -12.911 1.00 0.72 N ATOM 1303 CA LYS A 464 -12.016 -4.439 -13.684 1.00 0.77 C ATOM 1304 C LYS A 464 -12.254 -3.258 -12.738 1.00 0.76 C ATOM 1305 O LYS A 464 -12.202 -2.112 -13.136 1.00 0.82 O ATOM 1306 CB LYS A 464 -13.324 -4.865 -14.352 1.00 0.85 C ATOM 1307 CG LYS A 464 -13.448 -4.178 -15.713 1.00 1.20 C ATOM 1308 CD LYS A 464 -14.577 -4.831 -16.513 1.00 1.62 C ATOM 1309 CE LYS A 464 -14.692 -4.153 -17.880 1.00 2.25 C ATOM 1310 NZ LYS A 464 -15.697 -4.960 -18.626 1.00 2.66 N ATOM 0 H LYS A 464 -12.314 -6.265 -12.618 1.00 0.72 H new ATOM 0 HA LYS A 464 -11.273 -4.117 -14.414 1.00 0.77 H new ATOM 0 HB2 LYS A 464 -13.346 -5.948 -14.476 1.00 0.85 H new ATOM 0 HB3 LYS A 464 -14.171 -4.599 -13.720 1.00 0.85 H new ATOM 0 HG2 LYS A 464 -13.650 -3.115 -15.579 1.00 1.20 H new ATOM 0 HG3 LYS A 464 -12.508 -4.257 -16.259 1.00 1.20 H new ATOM 0 HD2 LYS A 464 -14.379 -5.896 -16.639 1.00 1.62 H new ATOM 0 HD3 LYS A 464 -15.519 -4.743 -15.971 1.00 1.62 H new ATOM 0 HE2 LYS A 464 -15.013 -3.116 -17.781 1.00 2.25 H new ATOM 0 HE3 LYS A 464 -13.732 -4.141 -18.397 1.00 2.25 H new ATOM 0 HZ1 LYS A 464 -15.831 -4.557 -19.575 1.00 2.66 H new ATOM 0 HZ2 LYS A 464 -15.361 -5.941 -18.711 1.00 2.66 H new ATOM 0 HZ3 LYS A 464 -16.602 -4.947 -18.114 1.00 2.66 H new ATOM 1324 N GLU A 465 -12.515 -3.530 -11.488 1.00 0.73 N ATOM 1325 CA GLU A 465 -12.754 -2.423 -10.520 1.00 0.76 C ATOM 1326 C GLU A 465 -11.531 -1.506 -10.449 1.00 0.69 C ATOM 1327 O GLU A 465 -11.621 -0.315 -10.668 1.00 0.85 O ATOM 1328 CB GLU A 465 -12.985 -3.116 -9.176 1.00 0.79 C ATOM 1329 CG GLU A 465 -14.454 -2.977 -8.774 1.00 1.12 C ATOM 1330 CD GLU A 465 -14.658 -1.655 -8.032 1.00 1.42 C ATOM 1331 OE1 GLU A 465 -13.758 -1.261 -7.307 1.00 1.95 O ATOM 1332 OE2 GLU A 465 -15.709 -1.060 -8.199 1.00 2.03 O ATOM 0 H GLU A 465 -12.573 -4.470 -11.096 1.00 0.73 H new ATOM 0 HA GLU A 465 -13.600 -1.799 -10.808 1.00 0.76 H new ATOM 0 HB2 GLU A 465 -12.715 -4.170 -9.247 1.00 0.79 H new ATOM 0 HB3 GLU A 465 -12.345 -2.674 -8.412 1.00 0.79 H new ATOM 0 HG2 GLU A 465 -15.089 -3.011 -9.659 1.00 1.12 H new ATOM 0 HG3 GLU A 465 -14.749 -3.812 -8.138 1.00 1.12 H new ATOM 1339 N LEU A 466 -10.384 -2.051 -10.145 1.00 0.56 N ATOM 1340 CA LEU A 466 -9.156 -1.210 -10.062 1.00 0.59 C ATOM 1341 C LEU A 466 -8.976 -0.408 -11.354 1.00 0.70 C ATOM 1342 O LEU A 466 -8.564 0.735 -11.335 1.00 0.81 O ATOM 1343 CB LEU A 466 -8.008 -2.203 -9.881 1.00 0.56 C ATOM 1344 CG LEU A 466 -8.060 -2.795 -8.471 1.00 0.54 C ATOM 1345 CD1 LEU A 466 -7.026 -3.915 -8.349 1.00 0.62 C ATOM 1346 CD2 LEU A 466 -7.748 -1.700 -7.447 1.00 0.52 C ATOM 0 H LEU A 466 -10.245 -3.043 -9.951 1.00 0.56 H new ATOM 0 HA LEU A 466 -9.203 -0.489 -9.246 1.00 0.59 H new ATOM 0 HB2 LEU A 466 -8.081 -2.998 -10.623 1.00 0.56 H new ATOM 0 HB3 LEU A 466 -7.053 -1.703 -10.042 1.00 0.56 H new ATOM 0 HG LEU A 466 -9.055 -3.197 -8.283 1.00 0.54 H new ATOM 0 HD11 LEU A 466 -7.063 -4.337 -7.345 1.00 0.62 H new ATOM 0 HD12 LEU A 466 -7.246 -4.695 -9.078 1.00 0.62 H new ATOM 0 HD13 LEU A 466 -6.030 -3.513 -8.537 1.00 0.62 H new ATOM 0 HD21 LEU A 466 -7.785 -2.120 -6.442 1.00 0.52 H new ATOM 0 HD22 LEU A 466 -6.753 -1.298 -7.636 1.00 0.52 H new ATOM 0 HD23 LEU A 466 -8.484 -0.901 -7.533 1.00 0.52 H new ATOM 1358 N GLY A 467 -9.281 -0.997 -12.478 1.00 0.77 N ATOM 1359 CA GLY A 467 -9.126 -0.268 -13.769 1.00 0.97 C ATOM 1360 C GLY A 467 -10.178 0.839 -13.859 1.00 1.08 C ATOM 1361 O GLY A 467 -9.980 1.843 -14.514 1.00 1.38 O ATOM 0 H GLY A 467 -9.631 -1.952 -12.558 1.00 0.77 H new ATOM 0 HA2 GLY A 467 -8.126 0.159 -13.840 1.00 0.97 H new ATOM 0 HA3 GLY A 467 -9.237 -0.959 -14.605 1.00 0.97 H new ATOM 1723 N TRP B 402 6.855 -2.121 4.196 1.00 0.95 N ATOM 1724 CA TRP B 402 5.497 -2.666 3.895 1.00 0.86 C ATOM 1725 C TRP B 402 5.566 -3.755 2.828 1.00 0.79 C ATOM 1726 O TRP B 402 5.327 -4.906 3.104 1.00 0.71 O ATOM 1727 CB TRP B 402 4.697 -1.474 3.374 1.00 0.96 C ATOM 1728 CG TRP B 402 3.410 -1.369 4.122 1.00 0.84 C ATOM 1729 CD1 TRP B 402 3.231 -0.635 5.245 1.00 0.94 C ATOM 1730 CD2 TRP B 402 2.125 -1.993 3.828 1.00 0.76 C ATOM 1731 NE1 TRP B 402 1.918 -0.762 5.663 1.00 1.00 N ATOM 1732 CE2 TRP B 402 1.192 -1.587 4.826 1.00 0.83 C ATOM 1733 CE3 TRP B 402 1.670 -2.866 2.799 1.00 0.78 C ATOM 1734 CZ2 TRP B 402 -0.144 -2.026 4.811 1.00 0.83 C ATOM 1735 CZ3 TRP B 402 0.326 -3.309 2.782 1.00 0.72 C ATOM 1736 CH2 TRP B 402 -0.578 -2.890 3.785 1.00 0.69 C ATOM 0 HA TRP B 402 5.045 -3.120 4.777 1.00 0.86 H new ATOM 0 HB2 TRP B 402 5.274 -0.557 3.492 1.00 0.96 H new ATOM 0 HB3 TRP B 402 4.501 -1.592 2.308 1.00 0.96 H new ATOM 0 HD1 TRP B 402 3.991 -0.045 5.736 1.00 0.94 H new ATOM 0 HE1 TRP B 402 1.533 -0.303 6.488 1.00 1.00 H new ATOM 0 HE3 TRP B 402 2.353 -3.191 2.029 1.00 0.78 H new ATOM 0 HZ2 TRP B 402 -0.832 -1.704 5.579 1.00 0.83 H new ATOM 0 HZ3 TRP B 402 -0.011 -3.971 1.998 1.00 0.72 H new ATOM 0 HH2 TRP B 402 -1.602 -3.232 3.765 1.00 0.69 H new ATOM 1747 N ALA B 403 5.881 -3.402 1.609 1.00 0.85 N ATOM 1748 CA ALA B 403 5.951 -4.431 0.524 1.00 0.85 C ATOM 1749 C ALA B 403 6.754 -5.649 0.989 1.00 0.80 C ATOM 1750 O ALA B 403 6.357 -6.776 0.781 1.00 0.76 O ATOM 1751 CB ALA B 403 6.653 -3.734 -0.642 1.00 0.99 C ATOM 0 H ALA B 403 6.093 -2.448 1.316 1.00 0.85 H new ATOM 0 HA ALA B 403 4.964 -4.798 0.244 1.00 0.85 H new ATOM 0 HB1 ALA B 403 6.742 -4.426 -1.479 1.00 0.99 H new ATOM 0 HB2 ALA B 403 6.071 -2.865 -0.950 1.00 0.99 H new ATOM 0 HB3 ALA B 403 7.647 -3.413 -0.329 1.00 0.99 H new ATOM 1757 N THR B 404 7.871 -5.438 1.631 1.00 0.82 N ATOM 1758 CA THR B 404 8.667 -6.602 2.114 1.00 0.81 C ATOM 1759 C THR B 404 7.827 -7.396 3.117 1.00 0.70 C ATOM 1760 O THR B 404 7.772 -8.608 3.076 1.00 0.69 O ATOM 1761 CB THR B 404 9.899 -5.998 2.792 1.00 0.89 C ATOM 1762 OG1 THR B 404 10.587 -5.168 1.864 1.00 1.07 O ATOM 1763 CG2 THR B 404 10.827 -7.118 3.262 1.00 0.89 C ATOM 0 H THR B 404 8.264 -4.520 1.840 1.00 0.82 H new ATOM 0 HA THR B 404 8.955 -7.282 1.312 1.00 0.81 H new ATOM 0 HB THR B 404 9.587 -5.405 3.652 1.00 0.89 H new ATOM 0 HG1 THR B 404 11.376 -4.778 2.296 1.00 1.07 H new ATOM 0 HG21 THR B 404 11.704 -6.686 3.744 1.00 0.89 H new ATOM 0 HG22 THR B 404 10.299 -7.754 3.972 1.00 0.89 H new ATOM 0 HG23 THR B 404 11.141 -7.714 2.405 1.00 0.89 H new ATOM 1771 N LEU B 405 7.155 -6.712 4.001 1.00 0.67 N ATOM 1772 CA LEU B 405 6.293 -7.410 4.995 1.00 0.61 C ATOM 1773 C LEU B 405 5.074 -8.007 4.280 1.00 0.53 C ATOM 1774 O LEU B 405 4.428 -8.910 4.769 1.00 0.52 O ATOM 1775 CB LEU B 405 5.865 -6.302 5.970 1.00 0.67 C ATOM 1776 CG LEU B 405 5.130 -6.885 7.188 1.00 0.64 C ATOM 1777 CD1 LEU B 405 3.723 -7.320 6.778 1.00 0.57 C ATOM 1778 CD2 LEU B 405 5.897 -8.091 7.749 1.00 0.64 C ATOM 0 H LEU B 405 7.166 -5.695 4.078 1.00 0.67 H new ATOM 0 HA LEU B 405 6.799 -8.229 5.506 1.00 0.61 H new ATOM 0 HB2 LEU B 405 6.743 -5.748 6.303 1.00 0.67 H new ATOM 0 HB3 LEU B 405 5.216 -5.593 5.456 1.00 0.67 H new ATOM 0 HG LEU B 405 5.066 -6.118 7.960 1.00 0.64 H new ATOM 0 HD11 LEU B 405 3.203 -7.733 7.643 1.00 0.57 H new ATOM 0 HD12 LEU B 405 3.171 -6.459 6.400 1.00 0.57 H new ATOM 0 HD13 LEU B 405 3.789 -8.079 5.998 1.00 0.57 H new ATOM 0 HD21 LEU B 405 5.364 -8.492 8.611 1.00 0.64 H new ATOM 0 HD22 LEU B 405 5.977 -8.860 6.981 1.00 0.64 H new ATOM 0 HD23 LEU B 405 6.895 -7.777 8.054 1.00 0.64 H new ATOM 1790 N LEU B 406 4.758 -7.491 3.125 1.00 0.53 N ATOM 1791 CA LEU B 406 3.585 -7.985 2.358 1.00 0.50 C ATOM 1792 C LEU B 406 3.953 -9.233 1.550 1.00 0.49 C ATOM 1793 O LEU B 406 3.233 -10.212 1.543 1.00 0.45 O ATOM 1794 CB LEU B 406 3.230 -6.811 1.436 1.00 0.57 C ATOM 1795 CG LEU B 406 1.740 -6.471 1.549 1.00 0.59 C ATOM 1796 CD1 LEU B 406 0.908 -7.631 1.014 1.00 0.94 C ATOM 1797 CD2 LEU B 406 1.369 -6.211 3.013 1.00 1.02 C ATOM 0 H LEU B 406 5.273 -6.735 2.674 1.00 0.53 H new ATOM 0 HA LEU B 406 2.752 -8.280 2.997 1.00 0.50 H new ATOM 0 HB2 LEU B 406 3.829 -5.939 1.700 1.00 0.57 H new ATOM 0 HB3 LEU B 406 3.474 -7.065 0.404 1.00 0.57 H new ATOM 0 HG LEU B 406 1.537 -5.574 0.964 1.00 0.59 H new ATOM 0 HD11 LEU B 406 -0.151 -7.387 1.095 1.00 0.94 H new ATOM 0 HD12 LEU B 406 1.160 -7.808 -0.032 1.00 0.94 H new ATOM 0 HD13 LEU B 406 1.119 -8.529 1.595 1.00 0.94 H new ATOM 0 HD21 LEU B 406 0.308 -5.970 3.082 1.00 1.02 H new ATOM 0 HD22 LEU B 406 1.578 -7.102 3.605 1.00 1.02 H new ATOM 0 HD23 LEU B 406 1.956 -5.376 3.394 1.00 1.02 H new ATOM 1809 N ALA B 407 5.068 -9.212 0.874 1.00 0.56 N ATOM 1810 CA ALA B 407 5.468 -10.404 0.077 1.00 0.59 C ATOM 1811 C ALA B 407 5.941 -11.519 1.013 1.00 0.57 C ATOM 1812 O ALA B 407 5.911 -12.685 0.673 1.00 0.61 O ATOM 1813 CB ALA B 407 6.611 -9.921 -0.816 1.00 0.70 C ATOM 0 H ALA B 407 5.716 -8.425 0.839 1.00 0.56 H new ATOM 0 HA ALA B 407 4.645 -10.810 -0.511 1.00 0.59 H new ATOM 0 HB1 ALA B 407 6.962 -10.746 -1.436 1.00 0.70 H new ATOM 0 HB2 ALA B 407 6.257 -9.112 -1.455 1.00 0.70 H new ATOM 0 HB3 ALA B 407 7.431 -9.560 -0.195 1.00 0.70 H new ATOM 1819 N GLN B 408 6.375 -11.168 2.193 1.00 0.57 N ATOM 1820 CA GLN B 408 6.846 -12.204 3.155 1.00 0.57 C ATOM 1821 C GLN B 408 5.685 -12.685 4.032 1.00 0.50 C ATOM 1822 O GLN B 408 5.631 -13.832 4.428 1.00 0.50 O ATOM 1823 CB GLN B 408 7.908 -11.505 4.003 1.00 0.62 C ATOM 1824 CG GLN B 408 9.245 -11.524 3.258 1.00 0.75 C ATOM 1825 CD GLN B 408 10.369 -11.883 4.232 1.00 0.78 C ATOM 1826 OE1 GLN B 408 10.345 -12.931 4.846 1.00 1.29 O ATOM 1827 NE2 GLN B 408 11.360 -11.052 4.400 1.00 1.46 N ATOM 0 H GLN B 408 6.424 -10.207 2.532 1.00 0.57 H new ATOM 0 HA GLN B 408 7.243 -13.084 2.650 1.00 0.57 H new ATOM 0 HB2 GLN B 408 7.608 -10.477 4.208 1.00 0.62 H new ATOM 0 HB3 GLN B 408 8.008 -12.006 4.966 1.00 0.62 H new ATOM 0 HG2 GLN B 408 9.209 -12.249 2.445 1.00 0.75 H new ATOM 0 HG3 GLN B 408 9.437 -10.550 2.809 1.00 0.75 H new ATOM 0 HE21 GLN B 408 11.381 -10.172 3.885 1.00 1.46 H new ATOM 0 HE22 GLN B 408 12.114 -11.282 5.047 1.00 1.46 H new ATOM 1836 N TRP B 409 4.758 -11.818 4.339 1.00 0.46 N ATOM 1837 CA TRP B 409 3.606 -12.233 5.193 1.00 0.43 C ATOM 1838 C TRP B 409 2.718 -13.221 4.429 1.00 0.40 C ATOM 1839 O TRP B 409 2.310 -14.238 4.956 1.00 0.41 O ATOM 1840 CB TRP B 409 2.849 -10.936 5.492 1.00 0.43 C ATOM 1841 CG TRP B 409 1.563 -11.242 6.196 1.00 0.42 C ATOM 1842 CD1 TRP B 409 1.461 -11.844 7.404 1.00 0.50 C ATOM 1843 CD2 TRP B 409 0.203 -10.971 5.754 1.00 0.40 C ATOM 1844 NE1 TRP B 409 0.122 -11.961 7.737 1.00 0.53 N ATOM 1845 CE2 TRP B 409 -0.697 -11.440 6.756 1.00 0.47 C ATOM 1846 CE3 TRP B 409 -0.342 -10.369 4.590 1.00 0.39 C ATOM 1847 CZ2 TRP B 409 -2.090 -11.314 6.610 1.00 0.50 C ATOM 1848 CZ3 TRP B 409 -1.745 -10.241 4.438 1.00 0.43 C ATOM 1849 CH2 TRP B 409 -2.616 -10.713 5.447 1.00 0.48 C ATOM 0 H TRP B 409 4.748 -10.844 4.037 1.00 0.46 H new ATOM 0 HA TRP B 409 3.922 -12.735 6.108 1.00 0.43 H new ATOM 0 HB2 TRP B 409 3.464 -10.281 6.109 1.00 0.43 H new ATOM 0 HB3 TRP B 409 2.646 -10.402 4.564 1.00 0.43 H new ATOM 0 HD1 TRP B 409 2.290 -12.179 8.010 1.00 0.50 H new ATOM 0 HE1 TRP B 409 -0.218 -12.381 8.602 1.00 0.53 H new ATOM 0 HE3 TRP B 409 0.317 -10.006 3.815 1.00 0.39 H new ATOM 0 HZ2 TRP B 409 -2.753 -11.675 7.383 1.00 0.50 H new ATOM 0 HZ3 TRP B 409 -2.150 -9.781 3.549 1.00 0.43 H new ATOM 0 HH2 TRP B 409 -3.685 -10.613 5.327 1.00 0.48 H new ATOM 1860 N ALA B 410 2.415 -12.934 3.193 1.00 0.42 N ATOM 1861 CA ALA B 410 1.555 -13.863 2.406 1.00 0.44 C ATOM 1862 C ALA B 410 2.172 -15.264 2.394 1.00 0.45 C ATOM 1863 O ALA B 410 1.481 -16.256 2.280 1.00 0.47 O ATOM 1864 CB ALA B 410 1.523 -13.277 0.995 1.00 0.51 C ATOM 0 H ALA B 410 2.724 -12.099 2.695 1.00 0.42 H new ATOM 0 HA ALA B 410 0.554 -13.959 2.827 1.00 0.44 H new ATOM 0 HB1 ALA B 410 0.907 -13.907 0.353 1.00 0.51 H new ATOM 0 HB2 ALA B 410 1.103 -12.272 1.028 1.00 0.51 H new ATOM 0 HB3 ALA B 410 2.536 -13.233 0.596 1.00 0.51 H new ATOM 1870 N ASP B 411 3.469 -15.351 2.514 1.00 0.48 N ATOM 1871 CA ASP B 411 4.131 -16.687 2.513 1.00 0.53 C ATOM 1872 C ASP B 411 3.970 -17.355 3.881 1.00 0.53 C ATOM 1873 O ASP B 411 3.496 -18.469 3.987 1.00 0.58 O ATOM 1874 CB ASP B 411 5.605 -16.398 2.228 1.00 0.60 C ATOM 1875 CG ASP B 411 5.874 -16.546 0.729 1.00 1.03 C ATOM 1876 OD1 ASP B 411 5.366 -17.491 0.147 1.00 1.51 O ATOM 1877 OD2 ASP B 411 6.582 -15.712 0.189 1.00 1.78 O ATOM 0 H ASP B 411 4.099 -14.555 2.613 1.00 0.48 H new ATOM 0 HA ASP B 411 3.699 -17.363 1.775 1.00 0.53 H new ATOM 0 HB2 ASP B 411 5.859 -15.390 2.556 1.00 0.60 H new ATOM 0 HB3 ASP B 411 6.237 -17.085 2.791 1.00 0.60 H new ATOM 1882 N ARG B 412 4.359 -16.681 4.929 1.00 0.52 N ATOM 1883 CA ARG B 412 4.227 -17.276 6.290 1.00 0.56 C ATOM 1884 C ARG B 412 2.776 -17.686 6.546 1.00 0.55 C ATOM 1885 O ARG B 412 2.504 -18.663 7.217 1.00 0.63 O ATOM 1886 CB ARG B 412 4.649 -16.165 7.250 1.00 0.58 C ATOM 1887 CG ARG B 412 6.160 -16.236 7.482 1.00 0.96 C ATOM 1888 CD ARG B 412 6.632 -14.955 8.173 1.00 1.50 C ATOM 1889 NE ARG B 412 7.960 -15.298 8.751 1.00 1.90 N ATOM 1890 CZ ARG B 412 8.448 -14.589 9.732 1.00 2.41 C ATOM 1891 NH1 ARG B 412 8.000 -14.758 10.946 1.00 2.89 N ATOM 1892 NH2 ARG B 412 9.386 -13.711 9.498 1.00 3.02 N ATOM 0 H ARG B 412 4.762 -15.745 4.902 1.00 0.52 H new ATOM 0 HA ARG B 412 4.836 -18.171 6.412 1.00 0.56 H new ATOM 0 HB2 ARG B 412 4.379 -15.192 6.838 1.00 0.58 H new ATOM 0 HB3 ARG B 412 4.120 -16.268 8.197 1.00 0.58 H new ATOM 0 HG2 ARG B 412 6.404 -17.103 8.095 1.00 0.96 H new ATOM 0 HG3 ARG B 412 6.679 -16.361 6.532 1.00 0.96 H new ATOM 0 HD2 ARG B 412 6.711 -14.130 7.465 1.00 1.50 H new ATOM 0 HD3 ARG B 412 5.932 -14.644 8.949 1.00 1.50 H new ATOM 0 HE ARG B 412 8.489 -16.087 8.380 1.00 1.90 H new ATOM 0 HH11 ARG B 412 7.268 -15.445 11.129 1.00 2.89 H new ATOM 0 HH12 ARG B 412 8.382 -14.204 11.712 1.00 2.89 H new ATOM 0 HH21 ARG B 412 9.737 -13.580 8.549 1.00 3.02 H new ATOM 0 HH22 ARG B 412 9.768 -13.156 10.264 1.00 3.02 H new ATOM 1906 N ALA B 413 1.842 -16.949 6.015 1.00 0.50 N ATOM 1907 CA ALA B 413 0.408 -17.295 6.223 1.00 0.53 C ATOM 1908 C ALA B 413 0.007 -18.452 5.306 1.00 0.57 C ATOM 1909 O ALA B 413 -0.798 -19.291 5.663 1.00 0.66 O ATOM 1910 CB ALA B 413 -0.364 -16.026 5.857 1.00 0.53 C ATOM 0 H ALA B 413 2.009 -16.120 5.445 1.00 0.50 H new ATOM 0 HA ALA B 413 0.203 -17.614 7.245 1.00 0.53 H new ATOM 0 HB1 ALA B 413 -1.432 -16.201 5.985 1.00 0.53 H new ATOM 0 HB2 ALA B 413 -0.050 -15.209 6.506 1.00 0.53 H new ATOM 0 HB3 ALA B 413 -0.161 -15.763 4.819 1.00 0.53 H new ATOM 1916 N LEU B 414 0.562 -18.506 4.126 1.00 0.54 N ATOM 1917 CA LEU B 414 0.212 -19.611 3.187 1.00 0.62 C ATOM 1918 C LEU B 414 0.496 -20.966 3.841 1.00 0.71 C ATOM 1919 O LEU B 414 -0.312 -21.871 3.790 1.00 0.82 O ATOM 1920 CB LEU B 414 1.114 -19.401 1.970 1.00 0.63 C ATOM 1921 CG LEU B 414 0.275 -19.481 0.694 1.00 0.71 C ATOM 1922 CD1 LEU B 414 -0.642 -18.259 0.607 1.00 1.11 C ATOM 1923 CD2 LEU B 414 1.201 -19.510 -0.524 1.00 1.03 C ATOM 0 H LEU B 414 1.242 -17.834 3.771 1.00 0.54 H new ATOM 0 HA LEU B 414 -0.843 -19.604 2.914 1.00 0.62 H new ATOM 0 HB2 LEU B 414 1.608 -18.431 2.033 1.00 0.63 H new ATOM 0 HB3 LEU B 414 1.898 -20.158 1.950 1.00 0.63 H new ATOM 0 HG LEU B 414 -0.329 -20.388 0.714 1.00 0.71 H new ATOM 0 HD11 LEU B 414 -1.240 -18.317 -0.303 1.00 1.11 H new ATOM 0 HD12 LEU B 414 -1.302 -18.237 1.474 1.00 1.11 H new ATOM 0 HD13 LEU B 414 -0.038 -17.352 0.588 1.00 1.11 H new ATOM 0 HD21 LEU B 414 0.604 -19.567 -1.434 1.00 1.03 H new ATOM 0 HD22 LEU B 414 1.806 -18.603 -0.543 1.00 1.03 H new ATOM 0 HD23 LEU B 414 1.854 -20.380 -0.464 1.00 1.03 H new ATOM 1935 N ARG B 415 1.637 -21.109 4.457 1.00 0.73 N ATOM 1936 CA ARG B 415 1.970 -22.403 5.116 1.00 0.87 C ATOM 1937 C ARG B 415 1.272 -22.500 6.475 1.00 0.93 C ATOM 1938 O ARG B 415 1.077 -23.574 7.009 1.00 1.26 O ATOM 1939 CB ARG B 415 3.489 -22.380 5.293 1.00 1.02 C ATOM 1940 CG ARG B 415 3.997 -23.803 5.529 1.00 1.40 C ATOM 1941 CD ARG B 415 4.285 -24.472 4.184 1.00 1.61 C ATOM 1942 NE ARG B 415 3.532 -25.756 4.225 1.00 2.27 N ATOM 1943 CZ ARG B 415 2.957 -26.209 3.145 1.00 2.92 C ATOM 1944 NH1 ARG B 415 3.680 -26.549 2.114 1.00 3.32 N ATOM 1945 NH2 ARG B 415 1.657 -26.322 3.097 1.00 3.70 N ATOM 0 H ARG B 415 2.353 -20.386 4.532 1.00 0.73 H new ATOM 0 HA ARG B 415 1.642 -23.261 4.529 1.00 0.87 H new ATOM 0 HB2 ARG B 415 3.962 -21.956 4.408 1.00 1.02 H new ATOM 0 HB3 ARG B 415 3.758 -21.742 6.135 1.00 1.02 H new ATOM 0 HG2 ARG B 415 4.901 -23.781 6.137 1.00 1.40 H new ATOM 0 HG3 ARG B 415 3.255 -24.379 6.082 1.00 1.40 H new ATOM 0 HD2 ARG B 415 3.956 -23.847 3.354 1.00 1.61 H new ATOM 0 HD3 ARG B 415 5.353 -24.644 4.049 1.00 1.61 H new ATOM 0 HE ARG B 415 3.466 -26.281 5.097 1.00 2.27 H new ATOM 0 HH11 ARG B 415 4.695 -26.461 2.152 1.00 3.32 H new ATOM 0 HH12 ARG B 415 3.230 -26.903 1.270 1.00 3.32 H new ATOM 0 HH21 ARG B 415 1.092 -26.056 3.903 1.00 3.70 H new ATOM 0 HH22 ARG B 415 1.207 -26.676 2.253 1.00 3.70 H new ATOM 1959 N SER B 416 0.895 -21.384 7.040 1.00 0.90 N ATOM 1960 CA SER B 416 0.210 -21.413 8.365 1.00 0.99 C ATOM 1961 C SER B 416 -1.301 -21.242 8.185 1.00 0.99 C ATOM 1962 O SER B 416 -1.923 -20.419 8.830 1.00 1.63 O ATOM 1963 CB SER B 416 0.795 -20.232 9.137 1.00 1.20 C ATOM 1964 OG SER B 416 0.772 -20.522 10.528 1.00 1.70 O ATOM 0 H SER B 416 1.032 -20.455 6.642 1.00 0.90 H new ATOM 0 HA SER B 416 0.361 -22.358 8.888 1.00 0.99 H new ATOM 0 HB2 SER B 416 1.817 -20.040 8.811 1.00 1.20 H new ATOM 0 HB3 SER B 416 0.220 -19.329 8.933 1.00 1.20 H new ATOM 0 HG SER B 416 1.148 -19.766 11.026 1.00 1.70 H new ATOM 1970 N GLY B 417 -1.899 -22.011 7.316 1.00 1.06 N ATOM 1971 CA GLY B 417 -3.368 -21.890 7.098 1.00 1.06 C ATOM 1972 C GLY B 417 -3.723 -20.439 6.770 1.00 0.99 C ATOM 1973 O GLY B 417 -4.088 -19.667 7.634 1.00 1.31 O ATOM 0 H GLY B 417 -1.433 -22.718 6.747 1.00 1.06 H new ATOM 0 HA2 GLY B 417 -3.679 -22.544 6.283 1.00 1.06 H new ATOM 0 HA3 GLY B 417 -3.905 -22.213 7.989 1.00 1.06 H new ATOM 1977 N HIS B 418 -3.616 -20.059 5.525 1.00 0.78 N ATOM 1978 CA HIS B 418 -3.945 -18.657 5.141 1.00 0.88 C ATOM 1979 C HIS B 418 -5.463 -18.457 5.106 1.00 0.89 C ATOM 1980 O HIS B 418 -6.218 -19.392 4.929 1.00 1.17 O ATOM 1981 CB HIS B 418 -3.353 -18.484 3.744 1.00 1.01 C ATOM 1982 CG HIS B 418 -3.960 -19.499 2.814 1.00 1.69 C ATOM 1983 ND1 HIS B 418 -3.228 -20.552 2.288 1.00 2.18 N ATOM 1984 CD2 HIS B 418 -5.229 -19.636 2.309 1.00 2.31 C ATOM 1985 CE1 HIS B 418 -4.055 -21.270 1.505 1.00 2.86 C ATOM 1986 NE2 HIS B 418 -5.287 -20.755 1.482 1.00 2.97 N ATOM 0 H HIS B 418 -3.315 -20.660 4.758 1.00 0.78 H new ATOM 0 HA HIS B 418 -3.546 -17.931 5.850 1.00 0.88 H new ATOM 0 HB2 HIS B 418 -3.548 -17.476 3.377 1.00 1.01 H new ATOM 0 HB3 HIS B 418 -2.271 -18.607 3.778 1.00 1.01 H new ATOM 0 HD2 HIS B 418 -6.057 -18.976 2.521 1.00 2.31 H new ATOM 0 HE1 HIS B 418 -3.758 -22.155 0.962 1.00 2.86 H new ATOM 0 HE2 HIS B 418 -6.096 -21.106 0.969 1.00 2.97 H new ATOM 1994 N GLN B 419 -5.913 -17.244 5.273 1.00 1.08 N ATOM 1995 CA GLN B 419 -7.378 -16.981 5.247 1.00 1.24 C ATOM 1996 C GLN B 419 -7.641 -15.513 4.903 1.00 1.03 C ATOM 1997 O GLN B 419 -7.998 -15.181 3.790 1.00 1.28 O ATOM 1998 CB GLN B 419 -7.859 -17.298 6.663 1.00 1.71 C ATOM 1999 CG GLN B 419 -8.740 -18.549 6.634 1.00 2.32 C ATOM 2000 CD GLN B 419 -10.179 -18.170 6.986 1.00 2.91 C ATOM 2001 OE1 GLN B 419 -10.907 -17.665 6.155 1.00 3.29 O ATOM 2002 NE2 GLN B 419 -10.623 -18.395 8.192 1.00 3.52 N ATOM 0 H GLN B 419 -5.328 -16.423 5.427 1.00 1.08 H new ATOM 0 HA GLN B 419 -7.896 -17.580 4.498 1.00 1.24 H new ATOM 0 HB2 GLN B 419 -7.005 -17.457 7.322 1.00 1.71 H new ATOM 0 HB3 GLN B 419 -8.420 -16.454 7.066 1.00 1.71 H new ATOM 0 HG2 GLN B 419 -8.705 -19.008 5.646 1.00 2.32 H new ATOM 0 HG3 GLN B 419 -8.364 -19.288 7.342 1.00 2.32 H new ATOM 0 HE21 GLN B 419 -10.012 -18.819 8.890 1.00 3.52 H new ATOM 0 HE22 GLN B 419 -11.582 -18.147 8.437 1.00 3.52 H new ATOM 2011 N ASN B 420 -7.466 -14.631 5.849 1.00 0.78 N ATOM 2012 CA ASN B 420 -7.704 -13.187 5.575 1.00 0.70 C ATOM 2013 C ASN B 420 -6.413 -12.527 5.079 1.00 0.58 C ATOM 2014 O ASN B 420 -5.769 -11.787 5.795 1.00 0.70 O ATOM 2015 CB ASN B 420 -8.127 -12.592 6.919 1.00 0.86 C ATOM 2016 CG ASN B 420 -9.401 -13.287 7.404 1.00 1.35 C ATOM 2017 OD1 ASN B 420 -9.412 -14.484 7.612 1.00 1.96 O ATOM 2018 ND2 ASN B 420 -10.482 -12.582 7.594 1.00 1.87 N ATOM 0 H ASN B 420 -7.168 -14.849 6.800 1.00 0.78 H new ATOM 0 HA ASN B 420 -8.460 -13.031 4.805 1.00 0.70 H new ATOM 0 HB2 ASN B 420 -7.330 -12.717 7.652 1.00 0.86 H new ATOM 0 HB3 ASN B 420 -8.300 -11.521 6.817 1.00 0.86 H new ATOM 0 HD21 ASN B 420 -11.336 -13.036 7.917 1.00 1.87 H new ATOM 0 HD22 ASN B 420 -10.473 -11.577 7.419 1.00 1.87 H new ATOM 2025 N LEU B 421 -6.031 -12.791 3.860 1.00 0.45 N ATOM 2026 CA LEU B 421 -4.781 -12.179 3.323 1.00 0.40 C ATOM 2027 C LEU B 421 -5.059 -10.766 2.803 1.00 0.39 C ATOM 2028 O LEU B 421 -4.564 -9.790 3.333 1.00 0.53 O ATOM 2029 CB LEU B 421 -4.349 -13.097 2.179 1.00 0.42 C ATOM 2030 CG LEU B 421 -3.506 -14.246 2.735 1.00 0.39 C ATOM 2031 CD1 LEU B 421 -3.731 -15.500 1.888 1.00 0.50 C ATOM 2032 CD2 LEU B 421 -2.026 -13.864 2.688 1.00 0.41 C ATOM 0 H LEU B 421 -6.529 -13.403 3.213 1.00 0.45 H new ATOM 0 HA LEU B 421 -4.008 -12.087 4.086 1.00 0.40 H new ATOM 0 HB2 LEU B 421 -5.225 -13.491 1.665 1.00 0.42 H new ATOM 0 HB3 LEU B 421 -3.775 -12.533 1.444 1.00 0.42 H new ATOM 0 HG LEU B 421 -3.799 -14.443 3.766 1.00 0.39 H new ATOM 0 HD11 LEU B 421 -3.130 -16.319 2.284 1.00 0.50 H new ATOM 0 HD12 LEU B 421 -4.785 -15.775 1.918 1.00 0.50 H new ATOM 0 HD13 LEU B 421 -3.438 -15.300 0.857 1.00 0.50 H new ATOM 0 HD21 LEU B 421 -1.426 -14.683 3.084 1.00 0.41 H new ATOM 0 HD22 LEU B 421 -1.734 -13.666 1.657 1.00 0.41 H new ATOM 0 HD23 LEU B 421 -1.862 -12.970 3.289 1.00 0.41 H new ATOM 2044 N LEU B 422 -5.844 -10.649 1.767 1.00 0.33 N ATOM 2045 CA LEU B 422 -6.150 -9.299 1.210 1.00 0.34 C ATOM 2046 C LEU B 422 -7.102 -8.540 2.139 1.00 0.34 C ATOM 2047 O LEU B 422 -7.118 -7.326 2.167 1.00 0.37 O ATOM 2048 CB LEU B 422 -6.825 -9.573 -0.135 1.00 0.37 C ATOM 2049 CG LEU B 422 -5.772 -9.584 -1.244 1.00 0.38 C ATOM 2050 CD1 LEU B 422 -6.399 -10.107 -2.538 1.00 0.59 C ATOM 2051 CD2 LEU B 422 -5.255 -8.161 -1.470 1.00 0.63 C ATOM 0 H LEU B 422 -6.287 -11.429 1.282 1.00 0.33 H new ATOM 0 HA LEU B 422 -5.255 -8.685 1.105 1.00 0.34 H new ATOM 0 HB2 LEU B 422 -7.345 -10.530 -0.104 1.00 0.37 H new ATOM 0 HB3 LEU B 422 -7.575 -8.809 -0.339 1.00 0.37 H new ATOM 0 HG LEU B 422 -4.945 -10.231 -0.952 1.00 0.38 H new ATOM 0 HD11 LEU B 422 -5.649 -10.115 -3.329 1.00 0.59 H new ATOM 0 HD12 LEU B 422 -6.770 -11.120 -2.379 1.00 0.59 H new ATOM 0 HD13 LEU B 422 -7.226 -9.459 -2.829 1.00 0.59 H new ATOM 0 HD21 LEU B 422 -4.504 -8.168 -2.260 1.00 0.63 H new ATOM 0 HD22 LEU B 422 -6.083 -7.515 -1.762 1.00 0.63 H new ATOM 0 HD23 LEU B 422 -4.809 -7.785 -0.549 1.00 0.63 H new ATOM 2063 N SER B 423 -7.898 -9.245 2.893 1.00 0.35 N ATOM 2064 CA SER B 423 -8.854 -8.564 3.815 1.00 0.38 C ATOM 2065 C SER B 423 -8.109 -7.923 4.990 1.00 0.36 C ATOM 2066 O SER B 423 -8.632 -7.065 5.672 1.00 0.39 O ATOM 2067 CB SER B 423 -9.780 -9.673 4.310 1.00 0.44 C ATOM 2068 OG SER B 423 -10.612 -10.104 3.240 1.00 1.23 O ATOM 0 H SER B 423 -7.929 -10.264 2.912 1.00 0.35 H new ATOM 0 HA SER B 423 -9.400 -7.762 3.318 1.00 0.38 H new ATOM 0 HB2 SER B 423 -9.193 -10.510 4.689 1.00 0.44 H new ATOM 0 HB3 SER B 423 -10.390 -9.311 5.137 1.00 0.44 H new ATOM 0 HG SER B 423 -11.206 -10.817 3.554 1.00 1.23 H new ATOM 2074 N GLU B 424 -6.894 -8.332 5.235 1.00 0.34 N ATOM 2075 CA GLU B 424 -6.127 -7.744 6.371 1.00 0.36 C ATOM 2076 C GLU B 424 -5.511 -6.401 5.961 1.00 0.32 C ATOM 2077 O GLU B 424 -5.707 -5.394 6.611 1.00 0.33 O ATOM 2078 CB GLU B 424 -5.033 -8.765 6.683 1.00 0.38 C ATOM 2079 CG GLU B 424 -5.045 -9.085 8.179 1.00 0.57 C ATOM 2080 CD GLU B 424 -3.696 -9.681 8.585 1.00 0.81 C ATOM 2081 OE1 GLU B 424 -2.684 -9.158 8.148 1.00 1.22 O ATOM 2082 OE2 GLU B 424 -3.698 -10.649 9.327 1.00 1.54 O ATOM 0 H GLU B 424 -6.400 -9.046 4.700 1.00 0.34 H new ATOM 0 HA GLU B 424 -6.760 -7.548 7.237 1.00 0.36 H new ATOM 0 HB2 GLU B 424 -5.194 -9.675 6.104 1.00 0.38 H new ATOM 0 HB3 GLU B 424 -4.059 -8.371 6.392 1.00 0.38 H new ATOM 0 HG2 GLU B 424 -5.242 -8.180 8.754 1.00 0.57 H new ATOM 0 HG3 GLU B 424 -5.847 -9.787 8.405 1.00 0.57 H new ATOM 2089 N ALA B 425 -4.765 -6.381 4.891 1.00 0.31 N ATOM 2090 CA ALA B 425 -4.137 -5.104 4.444 1.00 0.29 C ATOM 2091 C ALA B 425 -5.158 -4.231 3.704 1.00 0.28 C ATOM 2092 O ALA B 425 -4.944 -3.052 3.496 1.00 0.28 O ATOM 2093 CB ALA B 425 -3.011 -5.528 3.502 1.00 0.29 C ATOM 0 H ALA B 425 -4.563 -7.192 4.307 1.00 0.31 H new ATOM 0 HA ALA B 425 -3.770 -4.512 5.282 1.00 0.29 H new ATOM 0 HB1 ALA B 425 -2.497 -4.643 3.128 1.00 0.29 H new ATOM 0 HB2 ALA B 425 -2.303 -6.158 4.041 1.00 0.29 H new ATOM 0 HB3 ALA B 425 -3.428 -6.086 2.664 1.00 0.29 H new ATOM 2099 N GLN B 426 -6.263 -4.798 3.301 1.00 0.30 N ATOM 2100 CA GLN B 426 -7.292 -4.001 2.572 1.00 0.31 C ATOM 2101 C GLN B 426 -7.615 -2.699 3.322 1.00 0.30 C ATOM 2102 O GLN B 426 -7.497 -1.625 2.765 1.00 0.30 O ATOM 2103 CB GLN B 426 -8.525 -4.903 2.516 1.00 0.36 C ATOM 2104 CG GLN B 426 -8.795 -5.311 1.067 1.00 0.45 C ATOM 2105 CD GLN B 426 -9.800 -6.464 1.039 1.00 0.53 C ATOM 2106 OE1 GLN B 426 -9.421 -7.614 0.940 1.00 1.23 O ATOM 2107 NE2 GLN B 426 -11.076 -6.202 1.124 1.00 1.09 N ATOM 0 H GLN B 426 -6.498 -5.780 3.445 1.00 0.30 H new ATOM 0 HA GLN B 426 -6.947 -3.709 1.580 1.00 0.31 H new ATOM 0 HB2 GLN B 426 -8.368 -5.789 3.131 1.00 0.36 H new ATOM 0 HB3 GLN B 426 -9.390 -4.380 2.925 1.00 0.36 H new ATOM 0 HG2 GLN B 426 -9.184 -4.462 0.506 1.00 0.45 H new ATOM 0 HG3 GLN B 426 -7.866 -5.613 0.584 1.00 0.45 H new ATOM 0 HE21 GLN B 426 -11.394 -5.236 1.207 1.00 1.09 H new ATOM 0 HE22 GLN B 426 -11.755 -6.963 1.107 1.00 1.09 H new ATOM 2116 N PRO B 427 -8.023 -2.830 4.563 1.00 0.32 N ATOM 2117 CA PRO B 427 -8.372 -1.634 5.370 1.00 0.34 C ATOM 2118 C PRO B 427 -7.116 -0.823 5.701 1.00 0.31 C ATOM 2119 O PRO B 427 -7.186 0.358 5.980 1.00 0.35 O ATOM 2120 CB PRO B 427 -9.001 -2.220 6.632 1.00 0.39 C ATOM 2121 CG PRO B 427 -8.440 -3.601 6.735 1.00 0.38 C ATOM 2122 CD PRO B 427 -8.194 -4.075 5.328 1.00 0.35 C ATOM 0 HA PRO B 427 -9.041 -0.948 4.851 1.00 0.34 H new ATOM 0 HB2 PRO B 427 -8.751 -1.625 7.511 1.00 0.39 H new ATOM 0 HB3 PRO B 427 -10.088 -2.240 6.559 1.00 0.39 H new ATOM 0 HG2 PRO B 427 -7.514 -3.601 7.310 1.00 0.38 H new ATOM 0 HG3 PRO B 427 -9.135 -4.264 7.250 1.00 0.38 H new ATOM 0 HD2 PRO B 427 -7.308 -4.706 5.268 1.00 0.35 H new ATOM 0 HD3 PRO B 427 -9.031 -4.664 4.952 1.00 0.35 H new ATOM 2130 N GLU B 428 -5.969 -1.440 5.662 1.00 0.29 N ATOM 2131 CA GLU B 428 -4.717 -0.691 5.963 1.00 0.29 C ATOM 2132 C GLU B 428 -4.497 0.389 4.902 1.00 0.27 C ATOM 2133 O GLU B 428 -4.131 1.508 5.204 1.00 0.32 O ATOM 2134 CB GLU B 428 -3.604 -1.737 5.907 1.00 0.29 C ATOM 2135 CG GLU B 428 -2.739 -1.631 7.166 1.00 0.71 C ATOM 2136 CD GLU B 428 -2.005 -0.290 7.171 1.00 1.36 C ATOM 2137 OE1 GLU B 428 -1.879 0.299 6.110 1.00 2.11 O ATOM 2138 OE2 GLU B 428 -1.581 0.127 8.236 1.00 2.07 O ATOM 0 H GLU B 428 -5.844 -2.427 5.436 1.00 0.29 H new ATOM 0 HA GLU B 428 -4.750 -0.191 6.931 1.00 0.29 H new ATOM 0 HB2 GLU B 428 -4.033 -2.736 5.831 1.00 0.29 H new ATOM 0 HB3 GLU B 428 -2.992 -1.584 5.018 1.00 0.29 H new ATOM 0 HG2 GLU B 428 -3.362 -1.720 8.056 1.00 0.71 H new ATOM 0 HG3 GLU B 428 -2.021 -2.450 7.196 1.00 0.71 H new ATOM 2145 N LEU B 429 -4.726 0.060 3.659 1.00 0.25 N ATOM 2146 CA LEU B 429 -4.539 1.063 2.573 1.00 0.26 C ATOM 2147 C LEU B 429 -5.691 2.072 2.587 1.00 0.25 C ATOM 2148 O LEU B 429 -5.492 3.258 2.416 1.00 0.28 O ATOM 2149 CB LEU B 429 -4.552 0.248 1.277 1.00 0.26 C ATOM 2150 CG LEU B 429 -4.422 1.188 0.076 1.00 0.29 C ATOM 2151 CD1 LEU B 429 -2.955 1.576 -0.112 1.00 0.45 C ATOM 2152 CD2 LEU B 429 -4.924 0.477 -1.184 1.00 0.56 C ATOM 0 H LEU B 429 -5.035 -0.861 3.349 1.00 0.25 H new ATOM 0 HA LEU B 429 -3.616 1.632 2.686 1.00 0.26 H new ATOM 0 HB2 LEU B 429 -3.732 -0.470 1.279 1.00 0.26 H new ATOM 0 HB3 LEU B 429 -5.477 -0.324 1.205 1.00 0.26 H new ATOM 0 HG LEU B 429 -5.016 2.085 0.251 1.00 0.29 H new ATOM 0 HD11 LEU B 429 -2.862 2.245 -0.967 1.00 0.45 H new ATOM 0 HD12 LEU B 429 -2.594 2.081 0.784 1.00 0.45 H new ATOM 0 HD13 LEU B 429 -2.361 0.679 -0.287 1.00 0.45 H new ATOM 0 HD21 LEU B 429 -4.832 1.145 -2.040 1.00 0.56 H new ATOM 0 HD22 LEU B 429 -4.328 -0.419 -1.358 1.00 0.56 H new ATOM 0 HD23 LEU B 429 -5.969 0.198 -1.052 1.00 0.56 H new ATOM 2164 N GLU B 430 -6.895 1.609 2.792 1.00 0.26 N ATOM 2165 CA GLU B 430 -8.057 2.543 2.818 1.00 0.28 C ATOM 2166 C GLU B 430 -7.948 3.494 4.013 1.00 0.30 C ATOM 2167 O GLU B 430 -8.334 4.644 3.940 1.00 0.33 O ATOM 2168 CB GLU B 430 -9.285 1.644 2.960 1.00 0.30 C ATOM 2169 CG GLU B 430 -10.324 2.026 1.905 1.00 0.61 C ATOM 2170 CD GLU B 430 -10.181 1.103 0.693 1.00 1.45 C ATOM 2171 OE1 GLU B 430 -9.912 -0.070 0.895 1.00 2.17 O ATOM 2172 OE2 GLU B 430 -10.343 1.585 -0.417 1.00 2.05 O ATOM 0 H GLU B 430 -7.124 0.626 2.942 1.00 0.26 H new ATOM 0 HA GLU B 430 -8.106 3.163 1.923 1.00 0.28 H new ATOM 0 HB2 GLU B 430 -8.999 0.599 2.842 1.00 0.30 H new ATOM 0 HB3 GLU B 430 -9.710 1.747 3.958 1.00 0.30 H new ATOM 0 HG2 GLU B 430 -11.328 1.945 2.321 1.00 0.61 H new ATOM 0 HG3 GLU B 430 -10.187 3.064 1.603 1.00 0.61 H new ATOM 2179 N ARG B 431 -7.425 3.024 5.112 1.00 0.33 N ATOM 2180 CA ARG B 431 -7.293 3.903 6.310 1.00 0.37 C ATOM 2181 C ARG B 431 -6.249 4.994 6.055 1.00 0.36 C ATOM 2182 O ARG B 431 -6.486 6.161 6.294 1.00 0.38 O ATOM 2183 CB ARG B 431 -6.834 2.973 7.432 1.00 0.41 C ATOM 2184 CG ARG B 431 -7.094 3.635 8.786 1.00 0.59 C ATOM 2185 CD ARG B 431 -6.546 2.745 9.903 1.00 1.32 C ATOM 2186 NE ARG B 431 -6.126 3.689 10.975 1.00 1.56 N ATOM 2187 CZ ARG B 431 -6.890 3.872 12.015 1.00 2.19 C ATOM 2188 NH1 ARG B 431 -8.090 4.367 11.865 1.00 2.78 N ATOM 2189 NH2 ARG B 431 -6.458 3.561 13.207 1.00 2.87 N ATOM 0 H ARG B 431 -7.083 2.071 5.233 1.00 0.33 H new ATOM 0 HA ARG B 431 -8.226 4.410 6.556 1.00 0.37 H new ATOM 0 HB2 ARG B 431 -7.366 2.024 7.372 1.00 0.41 H new ATOM 0 HB3 ARG B 431 -5.773 2.751 7.322 1.00 0.41 H new ATOM 0 HG2 ARG B 431 -6.618 4.615 8.821 1.00 0.59 H new ATOM 0 HG3 ARG B 431 -8.163 3.795 8.925 1.00 0.59 H new ATOM 0 HD2 ARG B 431 -7.305 2.051 10.263 1.00 1.32 H new ATOM 0 HD3 ARG B 431 -5.706 2.145 9.554 1.00 1.32 H new ATOM 0 HE ARG B 431 -5.242 4.192 10.896 1.00 1.56 H new ATOM 0 HH11 ARG B 431 -8.429 4.610 10.934 1.00 2.78 H new ATOM 0 HH12 ARG B 431 -8.688 4.510 12.679 1.00 2.78 H new ATOM 0 HH21 ARG B 431 -5.522 3.174 13.325 1.00 2.87 H new ATOM 0 HH22 ARG B 431 -7.057 3.705 14.020 1.00 2.87 H new ATOM 2203 N THR B 432 -5.094 4.622 5.576 1.00 0.41 N ATOM 2204 CA THR B 432 -4.034 5.637 5.310 1.00 0.45 C ATOM 2205 C THR B 432 -4.575 6.757 4.415 1.00 0.40 C ATOM 2206 O THR B 432 -4.156 7.894 4.509 1.00 0.56 O ATOM 2207 CB THR B 432 -2.923 4.868 4.592 1.00 0.53 C ATOM 2208 OG1 THR B 432 -2.444 3.833 5.438 1.00 0.61 O ATOM 2209 CG2 THR B 432 -1.777 5.823 4.248 1.00 0.62 C ATOM 0 H THR B 432 -4.838 3.659 5.357 1.00 0.41 H new ATOM 0 HA THR B 432 -3.681 6.110 6.226 1.00 0.45 H new ATOM 0 HB THR B 432 -3.316 4.433 3.673 1.00 0.53 H new ATOM 0 HG1 THR B 432 -2.985 3.026 5.307 1.00 0.61 H new ATOM 0 HG21 THR B 432 -0.987 5.274 3.737 1.00 0.62 H new ATOM 0 HG22 THR B 432 -2.147 6.616 3.598 1.00 0.62 H new ATOM 0 HG23 THR B 432 -1.380 6.260 5.164 1.00 0.62 H new ATOM 2217 N LEU B 433 -5.498 6.446 3.547 1.00 0.33 N ATOM 2218 CA LEU B 433 -6.057 7.496 2.648 1.00 0.30 C ATOM 2219 C LEU B 433 -7.271 8.170 3.296 1.00 0.27 C ATOM 2220 O LEU B 433 -7.283 9.363 3.518 1.00 0.25 O ATOM 2221 CB LEU B 433 -6.472 6.751 1.377 1.00 0.37 C ATOM 2222 CG LEU B 433 -5.895 7.466 0.153 1.00 0.42 C ATOM 2223 CD1 LEU B 433 -6.453 8.888 0.080 1.00 0.41 C ATOM 2224 CD2 LEU B 433 -4.369 7.524 0.266 1.00 0.44 C ATOM 0 H LEU B 433 -5.889 5.512 3.421 1.00 0.33 H new ATOM 0 HA LEU B 433 -5.334 8.285 2.443 1.00 0.30 H new ATOM 0 HB2 LEU B 433 -6.114 5.722 1.413 1.00 0.37 H new ATOM 0 HB3 LEU B 433 -7.559 6.708 1.307 1.00 0.37 H new ATOM 0 HG LEU B 433 -6.173 6.920 -0.748 1.00 0.42 H new ATOM 0 HD11 LEU B 433 -6.041 9.396 -0.792 1.00 0.41 H new ATOM 0 HD12 LEU B 433 -7.539 8.849 -0.002 1.00 0.41 H new ATOM 0 HD13 LEU B 433 -6.177 9.434 0.982 1.00 0.41 H new ATOM 0 HD21 LEU B 433 -3.959 8.033 -0.606 1.00 0.44 H new ATOM 0 HD22 LEU B 433 -4.091 8.069 1.168 1.00 0.44 H new ATOM 0 HD23 LEU B 433 -3.969 6.511 0.316 1.00 0.44 H new ATOM 2236 N LEU B 434 -8.293 7.415 3.597 1.00 0.32 N ATOM 2237 CA LEU B 434 -9.504 8.018 4.226 1.00 0.32 C ATOM 2238 C LEU B 434 -9.118 8.843 5.457 1.00 0.29 C ATOM 2239 O LEU B 434 -9.591 9.944 5.651 1.00 0.30 O ATOM 2240 CB LEU B 434 -10.374 6.829 4.633 1.00 0.41 C ATOM 2241 CG LEU B 434 -11.842 7.155 4.363 1.00 0.65 C ATOM 2242 CD1 LEU B 434 -12.188 6.796 2.917 1.00 0.84 C ATOM 2243 CD2 LEU B 434 -12.728 6.348 5.314 1.00 1.14 C ATOM 0 H LEU B 434 -8.342 6.409 3.435 1.00 0.32 H new ATOM 0 HA LEU B 434 -10.023 8.693 3.545 1.00 0.32 H new ATOM 0 HB2 LEU B 434 -10.079 5.941 4.074 1.00 0.41 H new ATOM 0 HB3 LEU B 434 -10.229 6.604 5.690 1.00 0.41 H new ATOM 0 HG LEU B 434 -12.012 8.220 4.523 1.00 0.65 H new ATOM 0 HD11 LEU B 434 -13.235 7.029 2.725 1.00 0.84 H new ATOM 0 HD12 LEU B 434 -11.558 7.371 2.239 1.00 0.84 H new ATOM 0 HD13 LEU B 434 -12.017 5.732 2.756 1.00 0.84 H new ATOM 0 HD21 LEU B 434 -13.775 6.581 5.121 1.00 1.14 H new ATOM 0 HD22 LEU B 434 -12.558 5.283 5.155 1.00 1.14 H new ATOM 0 HD23 LEU B 434 -12.483 6.604 6.345 1.00 1.14 H new ATOM 2255 N THR B 435 -8.264 8.320 6.293 1.00 0.34 N ATOM 2256 CA THR B 435 -7.856 9.079 7.509 1.00 0.37 C ATOM 2257 C THR B 435 -7.125 10.365 7.112 1.00 0.35 C ATOM 2258 O THR B 435 -7.455 11.442 7.565 1.00 0.39 O ATOM 2259 CB THR B 435 -6.918 8.141 8.270 1.00 0.45 C ATOM 2260 OG1 THR B 435 -7.518 6.858 8.377 1.00 0.52 O ATOM 2261 CG2 THR B 435 -6.658 8.703 9.669 1.00 0.55 C ATOM 0 H THR B 435 -7.832 7.402 6.187 1.00 0.34 H new ATOM 0 HA THR B 435 -8.712 9.376 8.114 1.00 0.37 H new ATOM 0 HB THR B 435 -5.973 8.057 7.733 1.00 0.45 H new ATOM 0 HG1 THR B 435 -7.259 6.310 7.607 1.00 0.52 H new ATOM 0 HG21 THR B 435 -5.989 8.034 10.211 1.00 0.55 H new ATOM 0 HG22 THR B 435 -6.198 9.687 9.586 1.00 0.55 H new ATOM 0 HG23 THR B 435 -7.602 8.788 10.208 1.00 0.55 H new ATOM 2269 N THR B 436 -6.134 10.260 6.269 1.00 0.33 N ATOM 2270 CA THR B 436 -5.384 11.479 5.847 1.00 0.36 C ATOM 2271 C THR B 436 -6.329 12.468 5.160 1.00 0.36 C ATOM 2272 O THR B 436 -6.487 13.591 5.592 1.00 0.40 O ATOM 2273 CB THR B 436 -4.324 10.976 4.866 1.00 0.38 C ATOM 2274 OG1 THR B 436 -3.491 10.026 5.517 1.00 0.39 O ATOM 2275 CG2 THR B 436 -3.477 12.153 4.381 1.00 0.49 C ATOM 0 H THR B 436 -5.811 9.386 5.855 1.00 0.33 H new ATOM 0 HA THR B 436 -4.937 12.002 6.692 1.00 0.36 H new ATOM 0 HB THR B 436 -4.812 10.506 4.012 1.00 0.38 H new ATOM 0 HG1 THR B 436 -3.850 9.125 5.376 1.00 0.39 H new ATOM 0 HG21 THR B 436 -2.722 11.794 3.682 1.00 0.49 H new ATOM 0 HG22 THR B 436 -4.117 12.881 3.882 1.00 0.49 H new ATOM 0 HG23 THR B 436 -2.988 12.625 5.233 1.00 0.49 H new ATOM 2283 N ALA B 437 -6.958 12.061 4.092 1.00 0.34 N ATOM 2284 CA ALA B 437 -7.892 12.982 3.386 1.00 0.36 C ATOM 2285 C ALA B 437 -8.950 13.505 4.359 1.00 0.36 C ATOM 2286 O ALA B 437 -9.372 14.642 4.272 1.00 0.41 O ATOM 2287 CB ALA B 437 -8.536 12.135 2.288 1.00 0.35 C ATOM 0 H ALA B 437 -6.866 11.133 3.679 1.00 0.34 H new ATOM 0 HA ALA B 437 -7.382 13.853 2.975 1.00 0.36 H new ATOM 0 HB1 ALA B 437 -9.239 12.746 1.722 1.00 0.35 H new ATOM 0 HB2 ALA B 437 -7.763 11.758 1.619 1.00 0.35 H new ATOM 0 HB3 ALA B 437 -9.066 11.296 2.739 1.00 0.35 H new ATOM 2293 N LEU B 438 -9.379 12.696 5.292 1.00 0.34 N ATOM 2294 CA LEU B 438 -10.402 13.181 6.259 1.00 0.36 C ATOM 2295 C LEU B 438 -9.826 14.344 7.066 1.00 0.42 C ATOM 2296 O LEU B 438 -10.511 15.302 7.358 1.00 0.46 O ATOM 2297 CB LEU B 438 -10.727 11.995 7.176 1.00 0.36 C ATOM 2298 CG LEU B 438 -11.623 12.472 8.331 1.00 0.41 C ATOM 2299 CD1 LEU B 438 -12.855 13.195 7.776 1.00 0.42 C ATOM 2300 CD2 LEU B 438 -12.086 11.271 9.157 1.00 0.45 C ATOM 0 H LEU B 438 -9.069 11.733 5.424 1.00 0.34 H new ATOM 0 HA LEU B 438 -11.301 13.538 5.756 1.00 0.36 H new ATOM 0 HB2 LEU B 438 -11.231 11.211 6.610 1.00 0.36 H new ATOM 0 HB3 LEU B 438 -9.807 11.563 7.570 1.00 0.36 H new ATOM 0 HG LEU B 438 -11.050 13.155 8.958 1.00 0.41 H new ATOM 0 HD11 LEU B 438 -13.483 13.529 8.602 1.00 0.42 H new ATOM 0 HD12 LEU B 438 -12.537 14.057 7.190 1.00 0.42 H new ATOM 0 HD13 LEU B 438 -13.422 12.514 7.141 1.00 0.42 H new ATOM 0 HD21 LEU B 438 -12.721 11.614 9.974 1.00 0.45 H new ATOM 0 HD22 LEU B 438 -12.650 10.588 8.522 1.00 0.45 H new ATOM 0 HD23 LEU B 438 -11.218 10.753 9.565 1.00 0.45 H new ATOM 2312 N ARG B 439 -8.569 14.277 7.424 1.00 0.43 N ATOM 2313 CA ARG B 439 -7.960 15.397 8.202 1.00 0.50 C ATOM 2314 C ARG B 439 -8.256 16.720 7.494 1.00 0.54 C ATOM 2315 O ARG B 439 -8.532 17.726 8.118 1.00 0.60 O ATOM 2316 CB ARG B 439 -6.457 15.114 8.218 1.00 0.52 C ATOM 2317 CG ARG B 439 -6.184 13.832 9.006 1.00 0.77 C ATOM 2318 CD ARG B 439 -5.505 14.184 10.333 1.00 1.27 C ATOM 2319 NE ARG B 439 -5.314 12.879 11.024 1.00 1.73 N ATOM 2320 CZ ARG B 439 -4.225 12.658 11.709 1.00 2.28 C ATOM 2321 NH1 ARG B 439 -3.120 12.339 11.094 1.00 2.81 N ATOM 2322 NH2 ARG B 439 -4.242 12.757 13.011 1.00 2.89 N ATOM 0 H ARG B 439 -7.942 13.501 7.213 1.00 0.43 H new ATOM 0 HA ARG B 439 -8.357 15.470 9.215 1.00 0.50 H new ATOM 0 HB2 ARG B 439 -6.085 15.012 7.198 1.00 0.52 H new ATOM 0 HB3 ARG B 439 -5.924 15.951 8.670 1.00 0.52 H new ATOM 0 HG2 ARG B 439 -7.118 13.301 9.192 1.00 0.77 H new ATOM 0 HG3 ARG B 439 -5.548 13.164 8.425 1.00 0.77 H new ATOM 0 HD2 ARG B 439 -4.552 14.687 10.168 1.00 1.27 H new ATOM 0 HD3 ARG B 439 -6.123 14.858 10.926 1.00 1.27 H new ATOM 0 HE ARG B 439 -6.033 12.158 10.962 1.00 1.73 H new ATOM 0 HH11 ARG B 439 -3.106 12.262 10.077 1.00 2.81 H new ATOM 0 HH12 ARG B 439 -2.270 12.167 11.630 1.00 2.81 H new ATOM 0 HH21 ARG B 439 -5.106 13.007 13.492 1.00 2.89 H new ATOM 0 HH22 ARG B 439 -3.391 12.584 13.547 1.00 2.89 H new ATOM 2336 N HIS B 440 -8.233 16.712 6.187 1.00 0.52 N ATOM 2337 CA HIS B 440 -8.549 17.955 5.432 1.00 0.57 C ATOM 2338 C HIS B 440 -9.980 18.374 5.770 1.00 0.58 C ATOM 2339 O HIS B 440 -10.307 19.543 5.831 1.00 0.64 O ATOM 2340 CB HIS B 440 -8.429 17.562 3.958 1.00 0.55 C ATOM 2341 CG HIS B 440 -8.768 18.746 3.095 1.00 0.63 C ATOM 2342 ND1 HIS B 440 -8.863 20.030 3.606 1.00 1.04 N ATOM 2343 CD2 HIS B 440 -9.038 18.854 1.753 1.00 0.82 C ATOM 2344 CE1 HIS B 440 -9.179 20.849 2.587 1.00 0.97 C ATOM 2345 NE2 HIS B 440 -9.297 20.184 1.435 1.00 0.75 N ATOM 0 H HIS B 440 -8.009 15.899 5.613 1.00 0.52 H new ATOM 0 HA HIS B 440 -7.890 18.790 5.672 1.00 0.57 H new ATOM 0 HB2 HIS B 440 -7.417 17.220 3.743 1.00 0.55 H new ATOM 0 HB3 HIS B 440 -9.100 16.732 3.736 1.00 0.55 H new ATOM 0 HD1 HIS B 440 -8.719 20.304 4.578 1.00 1.04 H new ATOM 0 HD2 HIS B 440 -9.048 18.033 1.052 1.00 0.82 H new ATOM 0 HE1 HIS B 440 -9.320 21.915 2.688 1.00 0.97 H new ATOM 2353 N THR B 441 -10.824 17.409 6.013 1.00 0.53 N ATOM 2354 CA THR B 441 -12.239 17.702 6.377 1.00 0.55 C ATOM 2355 C THR B 441 -12.569 16.975 7.685 1.00 0.56 C ATOM 2356 O THR B 441 -13.567 16.292 7.794 1.00 0.55 O ATOM 2357 CB THR B 441 -13.087 17.144 5.227 1.00 0.53 C ATOM 2358 OG1 THR B 441 -13.041 15.724 5.256 1.00 0.48 O ATOM 2359 CG2 THR B 441 -12.548 17.645 3.884 1.00 0.54 C ATOM 0 H THR B 441 -10.590 16.417 5.974 1.00 0.53 H new ATOM 0 HA THR B 441 -12.426 18.766 6.521 1.00 0.55 H new ATOM 0 HB THR B 441 -14.116 17.483 5.344 1.00 0.53 H new ATOM 0 HG1 THR B 441 -13.576 15.395 6.008 1.00 0.48 H new ATOM 0 HG21 THR B 441 -13.157 17.243 3.075 1.00 0.54 H new ATOM 0 HG22 THR B 441 -12.586 18.734 3.860 1.00 0.54 H new ATOM 0 HG23 THR B 441 -11.517 17.315 3.760 1.00 0.54 H new ATOM 2367 N GLN B 442 -11.709 17.104 8.666 1.00 0.59 N ATOM 2368 CA GLN B 442 -11.920 16.412 9.976 1.00 0.62 C ATOM 2369 C GLN B 442 -13.381 16.489 10.431 1.00 0.64 C ATOM 2370 O GLN B 442 -13.961 17.553 10.523 1.00 0.69 O ATOM 2371 CB GLN B 442 -11.018 17.158 10.960 1.00 0.69 C ATOM 2372 CG GLN B 442 -11.395 18.641 10.978 1.00 1.43 C ATOM 2373 CD GLN B 442 -10.138 19.488 10.771 1.00 1.79 C ATOM 2374 OE1 GLN B 442 -9.987 20.136 9.755 1.00 2.16 O ATOM 2375 NE2 GLN B 442 -9.223 19.512 11.702 1.00 2.47 N ATOM 0 H GLN B 442 -10.860 17.666 8.614 1.00 0.59 H new ATOM 0 HA GLN B 442 -11.684 15.350 9.907 1.00 0.62 H new ATOM 0 HB2 GLN B 442 -11.123 16.734 11.959 1.00 0.69 H new ATOM 0 HB3 GLN B 442 -9.973 17.041 10.672 1.00 0.69 H new ATOM 0 HG2 GLN B 442 -12.122 18.852 10.194 1.00 1.43 H new ATOM 0 HG3 GLN B 442 -11.866 18.896 11.927 1.00 1.43 H new ATOM 0 HE21 GLN B 442 -9.349 18.968 12.555 1.00 2.47 H new ATOM 0 HE22 GLN B 442 -8.382 20.075 11.576 1.00 2.47 H new ATOM 2384 N GLY B 443 -13.974 15.362 10.724 1.00 0.63 N ATOM 2385 CA GLY B 443 -15.390 15.358 11.182 1.00 0.66 C ATOM 2386 C GLY B 443 -16.330 15.283 9.979 1.00 0.64 C ATOM 2387 O GLY B 443 -17.269 14.513 9.962 1.00 0.66 O ATOM 0 H GLY B 443 -13.536 14.443 10.665 1.00 0.63 H new ATOM 0 HA2 GLY B 443 -15.564 14.509 11.843 1.00 0.66 H new ATOM 0 HA3 GLY B 443 -15.596 16.259 11.759 1.00 0.66 H new ATOM 2391 N HIS B 444 -16.089 16.076 8.970 1.00 0.62 N ATOM 2392 CA HIS B 444 -16.976 16.044 7.771 1.00 0.62 C ATOM 2393 C HIS B 444 -17.121 14.609 7.260 1.00 0.67 C ATOM 2394 O HIS B 444 -18.215 14.100 7.122 1.00 1.34 O ATOM 2395 CB HIS B 444 -16.273 16.915 6.730 1.00 0.63 C ATOM 2396 CG HIS B 444 -17.282 17.808 6.061 1.00 0.95 C ATOM 2397 ND1 HIS B 444 -17.172 19.059 5.503 1.00 1.52 N flip ATOM 2398 CD2 HIS B 444 -18.607 17.438 5.900 1.00 1.62 C flip ATOM 2399 CE1 HIS B 444 -18.408 19.459 5.005 1.00 1.77 C flip ATOM 2400 NE2 HIS B 444 -19.237 18.446 5.270 1.00 1.86 N flip ATOM 0 H HIS B 444 -15.319 16.743 8.924 1.00 0.62 H new ATOM 0 HA HIS B 444 -17.980 16.407 7.992 1.00 0.62 H new ATOM 0 HB2 HIS B 444 -15.498 17.516 7.206 1.00 0.63 H new ATOM 0 HB3 HIS B 444 -15.779 16.287 5.989 1.00 0.63 H new ATOM 0 HD2 HIS B 444 -19.053 16.509 6.222 1.00 1.62 H new ATOM 0 HE1 HIS B 444 -18.646 20.389 4.510 1.00 1.77 H new ATOM 0 HE2 HIS B 444 -20.227 18.438 5.025 1.00 1.86 H new ATOM 2408 N LYS B 445 -16.019 13.952 6.985 1.00 0.62 N ATOM 2409 CA LYS B 445 -16.068 12.541 6.480 1.00 0.51 C ATOM 2410 C LYS B 445 -16.698 12.499 5.082 1.00 0.51 C ATOM 2411 O LYS B 445 -16.066 12.121 4.117 1.00 0.57 O ATOM 2412 CB LYS B 445 -16.925 11.761 7.485 1.00 0.62 C ATOM 2413 CG LYS B 445 -16.263 10.413 7.781 1.00 1.31 C ATOM 2414 CD LYS B 445 -17.184 9.575 8.670 1.00 1.56 C ATOM 2415 CE LYS B 445 -16.856 9.841 10.142 1.00 2.23 C ATOM 2416 NZ LYS B 445 -16.936 8.508 10.801 1.00 2.52 N ATOM 0 H LYS B 445 -15.080 14.336 7.089 1.00 0.62 H new ATOM 0 HA LYS B 445 -15.071 12.110 6.394 1.00 0.51 H new ATOM 0 HB2 LYS B 445 -17.037 12.334 8.406 1.00 0.62 H new ATOM 0 HB3 LYS B 445 -17.926 11.606 7.083 1.00 0.62 H new ATOM 0 HG2 LYS B 445 -16.059 9.884 6.850 1.00 1.31 H new ATOM 0 HG3 LYS B 445 -15.304 10.568 8.276 1.00 1.31 H new ATOM 0 HD2 LYS B 445 -18.226 9.823 8.468 1.00 1.56 H new ATOM 0 HD3 LYS B 445 -17.059 8.516 8.445 1.00 1.56 H new ATOM 0 HE2 LYS B 445 -15.863 10.277 10.253 1.00 2.23 H new ATOM 0 HE3 LYS B 445 -17.564 10.543 10.584 1.00 2.23 H new ATOM 0 HZ1 LYS B 445 -16.723 8.608 11.814 1.00 2.52 H new ATOM 0 HZ2 LYS B 445 -17.894 8.120 10.685 1.00 2.52 H new ATOM 0 HZ3 LYS B 445 -16.247 7.863 10.365 1.00 2.52 H new ATOM 2430 N GLN B 446 -17.940 12.890 4.966 1.00 0.53 N ATOM 2431 CA GLN B 446 -18.609 12.879 3.633 1.00 0.56 C ATOM 2432 C GLN B 446 -17.757 13.635 2.610 1.00 0.52 C ATOM 2433 O GLN B 446 -17.632 13.230 1.471 1.00 0.51 O ATOM 2434 CB GLN B 446 -19.942 13.594 3.855 1.00 0.64 C ATOM 2435 CG GLN B 446 -21.044 12.884 3.067 1.00 1.11 C ATOM 2436 CD GLN B 446 -21.362 13.683 1.801 1.00 1.79 C ATOM 2437 OE1 GLN B 446 -21.203 14.886 1.772 1.00 2.45 O ATOM 2438 NE2 GLN B 446 -21.809 13.058 0.746 1.00 2.40 N ATOM 0 H GLN B 446 -18.520 13.217 5.739 1.00 0.53 H new ATOM 0 HA GLN B 446 -18.748 11.869 3.247 1.00 0.56 H new ATOM 0 HB2 GLN B 446 -20.189 13.603 4.917 1.00 0.64 H new ATOM 0 HB3 GLN B 446 -19.866 14.634 3.537 1.00 0.64 H new ATOM 0 HG2 GLN B 446 -20.725 11.876 2.803 1.00 1.11 H new ATOM 0 HG3 GLN B 446 -21.939 12.785 3.681 1.00 1.11 H new ATOM 0 HE21 GLN B 446 -21.943 12.047 0.771 1.00 2.40 H new ATOM 0 HE22 GLN B 446 -22.025 13.580 -0.103 1.00 2.40 H new ATOM 2447 N GLU B 447 -17.164 14.728 3.009 1.00 0.52 N ATOM 2448 CA GLU B 447 -16.317 15.505 2.059 1.00 0.51 C ATOM 2449 C GLU B 447 -15.263 14.590 1.436 1.00 0.45 C ATOM 2450 O GLU B 447 -14.907 14.730 0.282 1.00 0.45 O ATOM 2451 CB GLU B 447 -15.653 16.587 2.912 1.00 0.53 C ATOM 2452 CG GLU B 447 -16.284 17.945 2.598 1.00 0.80 C ATOM 2453 CD GLU B 447 -15.746 18.460 1.262 1.00 1.32 C ATOM 2454 OE1 GLU B 447 -15.998 17.817 0.256 1.00 2.14 O ATOM 2455 OE2 GLU B 447 -15.090 19.489 1.267 1.00 1.96 O ATOM 0 H GLU B 447 -17.229 15.116 3.950 1.00 0.52 H new ATOM 0 HA GLU B 447 -16.895 15.934 1.240 1.00 0.51 H new ATOM 0 HB2 GLU B 447 -15.773 16.355 3.970 1.00 0.53 H new ATOM 0 HB3 GLU B 447 -14.582 16.617 2.711 1.00 0.53 H new ATOM 0 HG2 GLU B 447 -17.369 17.852 2.554 1.00 0.80 H new ATOM 0 HG3 GLU B 447 -16.057 18.656 3.392 1.00 0.80 H new ATOM 2462 N ALA B 448 -14.765 13.648 2.189 1.00 0.43 N ATOM 2463 CA ALA B 448 -13.738 12.720 1.637 1.00 0.39 C ATOM 2464 C ALA B 448 -14.291 12.009 0.401 1.00 0.40 C ATOM 2465 O ALA B 448 -13.551 11.526 -0.434 1.00 0.40 O ATOM 2466 CB ALA B 448 -13.466 11.717 2.758 1.00 0.39 C ATOM 0 H ALA B 448 -15.024 13.481 3.161 1.00 0.43 H new ATOM 0 HA ALA B 448 -12.830 13.238 1.329 1.00 0.39 H new ATOM 0 HB1 ALA B 448 -12.717 10.997 2.428 1.00 0.39 H new ATOM 0 HB2 ALA B 448 -13.099 12.245 3.638 1.00 0.39 H new ATOM 0 HB3 ALA B 448 -14.388 11.193 3.009 1.00 0.39 H new ATOM 2472 N ALA B 449 -15.589 11.939 0.276 1.00 0.44 N ATOM 2473 CA ALA B 449 -16.189 11.260 -0.905 1.00 0.47 C ATOM 2474 C ALA B 449 -15.661 11.885 -2.197 1.00 0.48 C ATOM 2475 O ALA B 449 -15.039 11.229 -3.009 1.00 0.49 O ATOM 2476 CB ALA B 449 -17.694 11.497 -0.774 1.00 0.52 C ATOM 0 H ALA B 449 -16.259 12.323 0.942 1.00 0.44 H new ATOM 0 HA ALA B 449 -15.944 10.199 -0.941 1.00 0.47 H new ATOM 0 HB1 ALA B 449 -18.211 11.026 -1.610 1.00 0.52 H new ATOM 0 HB2 ALA B 449 -18.050 11.066 0.162 1.00 0.52 H new ATOM 0 HB3 ALA B 449 -17.896 12.568 -0.780 1.00 0.52 H new ATOM 2482 N ARG B 450 -15.902 13.153 -2.393 1.00 0.49 N ATOM 2483 CA ARG B 450 -15.415 13.824 -3.633 1.00 0.52 C ATOM 2484 C ARG B 450 -13.891 13.960 -3.595 1.00 0.49 C ATOM 2485 O ARG B 450 -13.227 13.906 -4.611 1.00 0.50 O ATOM 2486 CB ARG B 450 -16.078 15.203 -3.622 1.00 0.57 C ATOM 2487 CG ARG B 450 -16.682 15.491 -4.999 1.00 0.78 C ATOM 2488 CD ARG B 450 -16.455 16.961 -5.361 1.00 1.37 C ATOM 2489 NE ARG B 450 -17.660 17.353 -6.143 1.00 1.76 N ATOM 2490 CZ ARG B 450 -17.531 17.787 -7.367 1.00 2.35 C ATOM 2491 NH1 ARG B 450 -16.571 18.620 -7.668 1.00 2.93 N ATOM 2492 NH2 ARG B 450 -18.363 17.391 -8.292 1.00 2.97 N ATOM 0 H ARG B 450 -16.415 13.754 -1.748 1.00 0.49 H new ATOM 0 HA ARG B 450 -15.661 13.261 -4.533 1.00 0.52 H new ATOM 0 HB2 ARG B 450 -16.855 15.239 -2.858 1.00 0.57 H new ATOM 0 HB3 ARG B 450 -15.345 15.969 -3.367 1.00 0.57 H new ATOM 0 HG2 ARG B 450 -16.225 14.846 -5.750 1.00 0.78 H new ATOM 0 HG3 ARG B 450 -17.749 15.268 -4.993 1.00 0.78 H new ATOM 0 HD2 ARG B 450 -16.347 17.576 -4.467 1.00 1.37 H new ATOM 0 HD3 ARG B 450 -15.545 17.088 -5.947 1.00 1.37 H new ATOM 0 HE ARG B 450 -18.586 17.282 -5.722 1.00 1.76 H new ATOM 0 HH11 ARG B 450 -15.921 18.932 -6.946 1.00 2.93 H new ATOM 0 HH12 ARG B 450 -16.471 18.959 -8.625 1.00 2.93 H new ATOM 0 HH21 ARG B 450 -19.114 16.742 -8.058 1.00 2.97 H new ATOM 0 HH22 ARG B 450 -18.262 17.731 -9.248 1.00 2.97 H new ATOM 2506 N LEU B 451 -13.330 14.135 -2.429 1.00 0.48 N ATOM 2507 CA LEU B 451 -11.849 14.272 -2.328 1.00 0.47 C ATOM 2508 C LEU B 451 -11.167 12.970 -2.754 1.00 0.44 C ATOM 2509 O LEU B 451 -10.020 12.961 -3.157 1.00 0.48 O ATOM 2510 CB LEU B 451 -11.578 14.561 -0.851 1.00 0.46 C ATOM 2511 CG LEU B 451 -11.365 16.063 -0.655 1.00 0.53 C ATOM 2512 CD1 LEU B 451 -11.823 16.466 0.748 1.00 0.92 C ATOM 2513 CD2 LEU B 451 -9.879 16.391 -0.819 1.00 1.04 C ATOM 0 H LEU B 451 -13.833 14.189 -1.543 1.00 0.48 H new ATOM 0 HA LEU B 451 -11.462 15.059 -2.975 1.00 0.47 H new ATOM 0 HB2 LEU B 451 -12.416 14.219 -0.243 1.00 0.46 H new ATOM 0 HB3 LEU B 451 -10.698 14.012 -0.518 1.00 0.46 H new ATOM 0 HG LEU B 451 -11.944 16.612 -1.397 1.00 0.53 H new ATOM 0 HD11 LEU B 451 -11.671 17.536 0.887 1.00 0.92 H new ATOM 0 HD12 LEU B 451 -12.881 16.231 0.867 1.00 0.92 H new ATOM 0 HD13 LEU B 451 -11.244 15.918 1.491 1.00 0.92 H new ATOM 0 HD21 LEU B 451 -9.725 17.461 -0.680 1.00 1.04 H new ATOM 0 HD22 LEU B 451 -9.301 15.841 -0.076 1.00 1.04 H new ATOM 0 HD23 LEU B 451 -9.551 16.104 -1.818 1.00 1.04 H new ATOM 2525 N LEU B 452 -11.862 11.869 -2.670 1.00 0.42 N ATOM 2526 CA LEU B 452 -11.251 10.567 -3.071 1.00 0.40 C ATOM 2527 C LEU B 452 -11.913 10.032 -4.347 1.00 0.46 C ATOM 2528 O LEU B 452 -11.709 8.897 -4.729 1.00 0.51 O ATOM 2529 CB LEU B 452 -11.524 9.621 -1.900 1.00 0.37 C ATOM 2530 CG LEU B 452 -10.991 10.234 -0.604 1.00 0.35 C ATOM 2531 CD1 LEU B 452 -11.537 9.448 0.590 1.00 0.31 C ATOM 2532 CD2 LEU B 452 -9.462 10.168 -0.598 1.00 0.43 C ATOM 0 H LEU B 452 -12.826 11.813 -2.341 1.00 0.42 H new ATOM 0 HA LEU B 452 -10.186 10.666 -3.282 1.00 0.40 H new ATOM 0 HB2 LEU B 452 -12.595 9.436 -1.812 1.00 0.37 H new ATOM 0 HB3 LEU B 452 -11.047 8.657 -2.080 1.00 0.37 H new ATOM 0 HG LEU B 452 -11.310 11.274 -0.535 1.00 0.35 H new ATOM 0 HD11 LEU B 452 -11.159 9.883 1.515 1.00 0.31 H new ATOM 0 HD12 LEU B 452 -12.626 9.492 0.587 1.00 0.31 H new ATOM 0 HD13 LEU B 452 -11.216 8.409 0.519 1.00 0.31 H new ATOM 0 HD21 LEU B 452 -9.083 10.605 0.326 1.00 0.43 H new ATOM 0 HD22 LEU B 452 -9.142 9.128 -0.666 1.00 0.43 H new ATOM 0 HD23 LEU B 452 -9.070 10.724 -1.450 1.00 0.43 H new ATOM 2544 N GLY B 453 -12.707 10.832 -5.009 1.00 0.50 N ATOM 2545 CA GLY B 453 -13.374 10.350 -6.251 1.00 0.56 C ATOM 2546 C GLY B 453 -14.194 9.102 -5.928 1.00 0.58 C ATOM 2547 O GLY B 453 -14.216 8.147 -6.678 1.00 0.68 O ATOM 0 H GLY B 453 -12.921 11.793 -4.744 1.00 0.50 H new ATOM 0 HA2 GLY B 453 -14.019 11.129 -6.657 1.00 0.56 H new ATOM 0 HA3 GLY B 453 -12.629 10.123 -7.014 1.00 0.56 H new ATOM 2551 N TRP B 454 -14.866 9.104 -4.812 1.00 0.54 N ATOM 2552 CA TRP B 454 -15.686 7.920 -4.425 1.00 0.60 C ATOM 2553 C TRP B 454 -17.173 8.279 -4.437 1.00 0.69 C ATOM 2554 O TRP B 454 -17.900 7.937 -5.348 1.00 1.16 O ATOM 2555 CB TRP B 454 -15.236 7.579 -3.001 1.00 0.53 C ATOM 2556 CG TRP B 454 -14.086 6.618 -3.032 1.00 0.52 C ATOM 2557 CD1 TRP B 454 -13.222 6.455 -4.066 1.00 0.58 C ATOM 2558 CD2 TRP B 454 -13.660 5.691 -1.993 1.00 0.50 C ATOM 2559 NE1 TRP B 454 -12.293 5.485 -3.728 1.00 0.58 N ATOM 2560 CE2 TRP B 454 -12.517 4.982 -2.462 1.00 0.52 C ATOM 2561 CE3 TRP B 454 -14.150 5.393 -0.694 1.00 0.51 C ATOM 2562 CZ2 TRP B 454 -11.879 4.009 -1.670 1.00 0.52 C ATOM 2563 CZ3 TRP B 454 -13.511 4.415 0.106 1.00 0.53 C ATOM 2564 CH2 TRP B 454 -12.378 3.726 -0.382 1.00 0.51 C ATOM 0 H TRP B 454 -14.884 9.877 -4.147 1.00 0.54 H new ATOM 0 HA TRP B 454 -15.553 7.084 -5.112 1.00 0.60 H new ATOM 0 HB2 TRP B 454 -14.943 8.489 -2.478 1.00 0.53 H new ATOM 0 HB3 TRP B 454 -16.066 7.144 -2.445 1.00 0.53 H new ATOM 0 HD1 TRP B 454 -13.254 6.994 -5.001 1.00 0.58 H new ATOM 0 HE1 TRP B 454 -11.536 5.180 -4.340 1.00 0.58 H new ATOM 0 HE3 TRP B 454 -15.015 5.916 -0.314 1.00 0.51 H new ATOM 0 HZ2 TRP B 454 -11.014 3.483 -2.046 1.00 0.52 H new ATOM 0 HZ3 TRP B 454 -13.891 4.195 1.093 1.00 0.53 H new ATOM 0 HH2 TRP B 454 -11.894 2.982 0.232 1.00 0.51 H new ATOM 2575 N GLY B 455 -17.628 8.962 -3.424 1.00 0.72 N ATOM 2576 CA GLY B 455 -19.066 9.342 -3.360 1.00 0.72 C ATOM 2577 C GLY B 455 -19.614 8.993 -1.976 1.00 0.70 C ATOM 2578 O GLY B 455 -18.868 8.723 -1.059 1.00 0.64 O ATOM 0 H GLY B 455 -17.063 9.275 -2.634 1.00 0.72 H new ATOM 0 HA2 GLY B 455 -19.182 10.409 -3.553 1.00 0.72 H new ATOM 0 HA3 GLY B 455 -19.629 8.816 -4.131 1.00 0.72 H new ATOM 2582 N ALA B 456 -20.908 8.991 -1.816 1.00 0.77 N ATOM 2583 CA ALA B 456 -21.487 8.654 -0.483 1.00 0.77 C ATOM 2584 C ALA B 456 -21.749 7.148 -0.388 1.00 0.82 C ATOM 2585 O ALA B 456 -21.746 6.574 0.683 1.00 0.83 O ATOM 2586 CB ALA B 456 -22.800 9.435 -0.413 1.00 0.84 C ATOM 0 H ALA B 456 -21.588 9.207 -2.545 1.00 0.77 H new ATOM 0 HA ALA B 456 -20.817 8.912 0.337 1.00 0.77 H new ATOM 0 HB1 ALA B 456 -23.289 9.240 0.541 1.00 0.84 H new ATOM 0 HB2 ALA B 456 -22.594 10.502 -0.504 1.00 0.84 H new ATOM 0 HB3 ALA B 456 -23.454 9.121 -1.226 1.00 0.84 H new ATOM 2592 N ALA B 457 -21.973 6.504 -1.502 1.00 0.90 N ATOM 2593 CA ALA B 457 -22.231 5.036 -1.475 1.00 0.97 C ATOM 2594 C ALA B 457 -20.932 4.277 -1.195 1.00 0.89 C ATOM 2595 O ALA B 457 -20.887 3.387 -0.369 1.00 0.91 O ATOM 2596 CB ALA B 457 -22.758 4.699 -2.870 1.00 1.07 C ATOM 0 H ALA B 457 -21.988 6.931 -2.428 1.00 0.90 H new ATOM 0 HA ALA B 457 -22.938 4.756 -0.694 1.00 0.97 H new ATOM 0 HB1 ALA B 457 -22.972 3.632 -2.930 1.00 1.07 H new ATOM 0 HB2 ALA B 457 -23.671 5.264 -3.060 1.00 1.07 H new ATOM 0 HB3 ALA B 457 -22.007 4.961 -3.616 1.00 1.07 H new ATOM 2602 N THR B 458 -19.875 4.624 -1.876 1.00 0.84 N ATOM 2603 CA THR B 458 -18.580 3.924 -1.647 1.00 0.77 C ATOM 2604 C THR B 458 -18.069 4.216 -0.234 1.00 0.68 C ATOM 2605 O THR B 458 -17.744 3.319 0.517 1.00 0.67 O ATOM 2606 CB THR B 458 -17.628 4.501 -2.696 1.00 0.76 C ATOM 2607 OG1 THR B 458 -18.244 4.439 -3.975 1.00 0.85 O ATOM 2608 CG2 THR B 458 -16.330 3.692 -2.712 1.00 0.72 C ATOM 0 H THR B 458 -19.852 5.361 -2.580 1.00 0.84 H new ATOM 0 HA THR B 458 -18.671 2.841 -1.734 1.00 0.77 H new ATOM 0 HB THR B 458 -17.402 5.539 -2.450 1.00 0.76 H new ATOM 0 HG1 THR B 458 -17.637 4.810 -4.649 1.00 0.85 H new ATOM 0 HG21 THR B 458 -15.653 4.105 -3.460 1.00 0.72 H new ATOM 0 HG22 THR B 458 -15.859 3.741 -1.730 1.00 0.72 H new ATOM 0 HG23 THR B 458 -16.552 2.653 -2.957 1.00 0.72 H new ATOM 2616 N LEU B 459 -18.000 5.467 0.136 1.00 0.64 N ATOM 2617 CA LEU B 459 -17.515 5.813 1.502 1.00 0.57 C ATOM 2618 C LEU B 459 -18.320 5.045 2.556 1.00 0.60 C ATOM 2619 O LEU B 459 -17.823 4.719 3.615 1.00 0.58 O ATOM 2620 CB LEU B 459 -17.748 7.320 1.635 1.00 0.56 C ATOM 2621 CG LEU B 459 -16.412 8.022 1.892 1.00 0.47 C ATOM 2622 CD1 LEU B 459 -16.474 9.453 1.363 1.00 0.48 C ATOM 2623 CD2 LEU B 459 -16.133 8.057 3.393 1.00 0.46 C ATOM 0 H LEU B 459 -18.258 6.262 -0.448 1.00 0.64 H new ATOM 0 HA LEU B 459 -16.467 5.551 1.650 1.00 0.57 H new ATOM 0 HB2 LEU B 459 -18.207 7.709 0.726 1.00 0.56 H new ATOM 0 HB3 LEU B 459 -18.440 7.521 2.453 1.00 0.56 H new ATOM 0 HG LEU B 459 -15.618 7.477 1.382 1.00 0.47 H new ATOM 0 HD11 LEU B 459 -15.522 9.951 1.547 1.00 0.48 H new ATOM 0 HD12 LEU B 459 -16.674 9.436 0.292 1.00 0.48 H new ATOM 0 HD13 LEU B 459 -17.271 9.995 1.872 1.00 0.48 H new ATOM 0 HD21 LEU B 459 -15.182 8.557 3.575 1.00 0.46 H new ATOM 0 HD22 LEU B 459 -16.931 8.601 3.899 1.00 0.46 H new ATOM 0 HD23 LEU B 459 -16.087 7.038 3.778 1.00 0.46 H new ATOM 2635 N THR B 460 -19.558 4.749 2.268 1.00 0.68 N ATOM 2636 CA THR B 460 -20.394 3.998 3.248 1.00 0.74 C ATOM 2637 C THR B 460 -20.260 2.490 3.010 1.00 0.76 C ATOM 2638 O THR B 460 -20.014 1.727 3.922 1.00 0.75 O ATOM 2639 CB THR B 460 -21.829 4.456 2.983 1.00 0.83 C ATOM 2640 OG1 THR B 460 -21.938 5.846 3.258 1.00 0.82 O ATOM 2641 CG2 THR B 460 -22.790 3.677 3.881 1.00 0.92 C ATOM 0 H THR B 460 -20.027 4.995 1.396 1.00 0.68 H new ATOM 0 HA THR B 460 -20.091 4.187 4.278 1.00 0.74 H new ATOM 0 HB THR B 460 -22.084 4.271 1.939 1.00 0.83 H new ATOM 0 HG1 THR B 460 -21.794 6.355 2.433 1.00 0.82 H new ATOM 0 HG21 THR B 460 -23.812 4.005 3.691 1.00 0.92 H new ATOM 0 HG22 THR B 460 -22.705 2.612 3.667 1.00 0.92 H new ATOM 0 HG23 THR B 460 -22.539 3.859 4.926 1.00 0.92 H new ATOM 2649 N ALA B 461 -20.421 2.057 1.789 1.00 0.81 N ATOM 2650 CA ALA B 461 -20.303 0.600 1.493 1.00 0.85 C ATOM 2651 C ALA B 461 -18.890 0.107 1.815 1.00 0.79 C ATOM 2652 O ALA B 461 -18.696 -1.012 2.248 1.00 0.83 O ATOM 2653 CB ALA B 461 -20.585 0.473 -0.004 1.00 0.92 C ATOM 0 H ALA B 461 -20.629 2.648 0.984 1.00 0.81 H new ATOM 0 HA ALA B 461 -20.992 0.002 2.089 1.00 0.85 H new ATOM 0 HB1 ALA B 461 -20.517 -0.574 -0.300 1.00 0.92 H new ATOM 0 HB2 ALA B 461 -21.586 0.846 -0.219 1.00 0.92 H new ATOM 0 HB3 ALA B 461 -19.853 1.056 -0.563 1.00 0.92 H new ATOM 2659 N LYS B 462 -17.901 0.933 1.608 1.00 0.72 N ATOM 2660 CA LYS B 462 -16.503 0.510 1.902 1.00 0.68 C ATOM 2661 C LYS B 462 -16.270 0.463 3.415 1.00 0.65 C ATOM 2662 O LYS B 462 -15.370 -0.198 3.894 1.00 0.66 O ATOM 2663 CB LYS B 462 -15.622 1.581 1.257 1.00 0.66 C ATOM 2664 CG LYS B 462 -14.239 0.996 0.961 1.00 0.99 C ATOM 2665 CD LYS B 462 -14.339 0.011 -0.206 1.00 0.91 C ATOM 2666 CE LYS B 462 -13.259 0.336 -1.240 1.00 1.31 C ATOM 2667 NZ LYS B 462 -13.836 -0.091 -2.545 1.00 1.39 N ATOM 0 H LYS B 462 -18.001 1.882 1.248 1.00 0.72 H new ATOM 0 HA LYS B 462 -16.284 -0.486 1.517 1.00 0.68 H new ATOM 0 HB2 LYS B 462 -16.082 1.939 0.336 1.00 0.66 H new ATOM 0 HB3 LYS B 462 -15.530 2.440 1.922 1.00 0.66 H new ATOM 0 HG2 LYS B 462 -13.539 1.795 0.717 1.00 0.99 H new ATOM 0 HG3 LYS B 462 -13.850 0.491 1.845 1.00 0.99 H new ATOM 0 HD2 LYS B 462 -14.217 -1.010 0.155 1.00 0.91 H new ATOM 0 HD3 LYS B 462 -15.326 0.072 -0.664 1.00 0.91 H new ATOM 0 HE2 LYS B 462 -13.022 1.400 -1.242 1.00 1.31 H new ATOM 0 HE3 LYS B 462 -12.333 -0.197 -1.024 1.00 1.31 H new ATOM 0 HZ1 LYS B 462 -13.153 0.100 -3.306 1.00 1.39 H new ATOM 0 HZ2 LYS B 462 -14.046 -1.109 -2.515 1.00 1.39 H new ATOM 0 HZ3 LYS B 462 -14.713 0.438 -2.726 1.00 1.39 H new ATOM 2681 N LEU B 463 -17.076 1.157 4.172 1.00 0.65 N ATOM 2682 CA LEU B 463 -16.899 1.150 5.653 1.00 0.65 C ATOM 2683 C LEU B 463 -17.239 -0.231 6.220 1.00 0.68 C ATOM 2684 O LEU B 463 -16.551 -0.747 7.078 1.00 0.70 O ATOM 2685 CB LEU B 463 -17.883 2.199 6.174 1.00 0.68 C ATOM 2686 CG LEU B 463 -17.507 2.587 7.606 1.00 0.81 C ATOM 2687 CD1 LEU B 463 -16.873 3.978 7.608 1.00 0.99 C ATOM 2688 CD2 LEU B 463 -18.766 2.600 8.475 1.00 0.99 C ATOM 0 H LEU B 463 -17.849 1.728 3.830 1.00 0.65 H new ATOM 0 HA LEU B 463 -15.873 1.371 5.947 1.00 0.65 H new ATOM 0 HB2 LEU B 463 -17.866 3.079 5.531 1.00 0.68 H new ATOM 0 HB3 LEU B 463 -18.899 1.805 6.148 1.00 0.68 H new ATOM 0 HG LEU B 463 -16.796 1.864 8.004 1.00 0.81 H new ATOM 0 HD11 LEU B 463 -16.605 4.254 8.628 1.00 0.99 H new ATOM 0 HD12 LEU B 463 -15.977 3.970 6.987 1.00 0.99 H new ATOM 0 HD13 LEU B 463 -17.584 4.702 7.211 1.00 0.99 H new ATOM 0 HD21 LEU B 463 -18.501 2.876 9.496 1.00 0.99 H new ATOM 0 HD22 LEU B 463 -19.476 3.324 8.076 1.00 0.99 H new ATOM 0 HD23 LEU B 463 -19.219 1.609 8.473 1.00 0.99 H new ATOM 2700 N LYS B 464 -18.296 -0.835 5.748 1.00 0.72 N ATOM 2701 CA LYS B 464 -18.675 -2.182 6.261 1.00 0.77 C ATOM 2702 C LYS B 464 -17.951 -3.273 5.468 1.00 0.76 C ATOM 2703 O LYS B 464 -17.758 -4.374 5.942 1.00 0.82 O ATOM 2704 CB LYS B 464 -20.187 -2.277 6.047 1.00 0.85 C ATOM 2705 CG LYS B 464 -20.812 -3.102 7.175 1.00 1.20 C ATOM 2706 CD LYS B 464 -22.333 -2.939 7.146 1.00 1.62 C ATOM 2707 CE LYS B 464 -22.956 -3.755 8.282 1.00 2.25 C ATOM 2708 NZ LYS B 464 -24.401 -3.399 8.260 1.00 2.66 N ATOM 0 H LYS B 464 -18.913 -0.454 5.030 1.00 0.72 H new ATOM 0 HA LYS B 464 -18.402 -2.317 7.308 1.00 0.77 H new ATOM 0 HB2 LYS B 464 -20.625 -1.279 6.026 1.00 0.85 H new ATOM 0 HB3 LYS B 464 -20.400 -2.739 5.083 1.00 0.85 H new ATOM 0 HG2 LYS B 464 -20.546 -4.153 7.061 1.00 1.20 H new ATOM 0 HG3 LYS B 464 -20.419 -2.776 8.138 1.00 1.20 H new ATOM 0 HD2 LYS B 464 -22.599 -1.887 7.251 1.00 1.62 H new ATOM 0 HD3 LYS B 464 -22.727 -3.273 6.186 1.00 1.62 H new ATOM 0 HE2 LYS B 464 -22.810 -4.824 8.127 1.00 2.25 H new ATOM 0 HE3 LYS B 464 -22.502 -3.507 9.242 1.00 2.25 H new ATOM 0 HZ1 LYS B 464 -24.898 -3.919 9.011 1.00 2.66 H new ATOM 0 HZ2 LYS B 464 -24.509 -2.377 8.417 1.00 2.66 H new ATOM 0 HZ3 LYS B 464 -24.807 -3.653 7.337 1.00 2.66 H new ATOM 2722 N GLU B 465 -17.549 -2.975 4.263 1.00 0.73 N ATOM 2723 CA GLU B 465 -16.837 -3.995 3.440 1.00 0.76 C ATOM 2724 C GLU B 465 -15.559 -4.451 4.152 1.00 0.69 C ATOM 2725 O GLU B 465 -15.361 -5.622 4.402 1.00 0.85 O ATOM 2726 CB GLU B 465 -16.497 -3.280 2.132 1.00 0.79 C ATOM 2727 CG GLU B 465 -17.357 -3.849 1.001 1.00 1.12 C ATOM 2728 CD GLU B 465 -16.672 -5.082 0.408 1.00 1.42 C ATOM 2729 OE1 GLU B 465 -15.454 -5.086 0.346 1.00 1.94 O ATOM 2730 OE2 GLU B 465 -17.378 -6.001 0.026 1.00 2.03 O ATOM 0 H GLU B 465 -17.682 -2.070 3.812 1.00 0.73 H new ATOM 0 HA GLU B 465 -17.441 -4.886 3.272 1.00 0.76 H new ATOM 0 HB2 GLU B 465 -16.673 -2.209 2.234 1.00 0.79 H new ATOM 0 HB3 GLU B 465 -15.440 -3.408 1.899 1.00 0.79 H new ATOM 0 HG2 GLU B 465 -18.344 -4.115 1.379 1.00 1.12 H new ATOM 0 HG3 GLU B 465 -17.505 -3.095 0.228 1.00 1.12 H new ATOM 2737 N LEU B 466 -14.691 -3.532 4.479 1.00 0.56 N ATOM 2738 CA LEU B 466 -13.428 -3.915 5.174 1.00 0.59 C ATOM 2739 C LEU B 466 -13.742 -4.743 6.424 1.00 0.70 C ATOM 2740 O LEU B 466 -13.044 -5.682 6.749 1.00 0.81 O ATOM 2741 CB LEU B 466 -12.775 -2.588 5.559 1.00 0.56 C ATOM 2742 CG LEU B 466 -12.229 -1.903 4.305 1.00 0.54 C ATOM 2743 CD1 LEU B 466 -11.734 -0.500 4.663 1.00 0.62 C ATOM 2744 CD2 LEU B 466 -11.065 -2.723 3.743 1.00 0.52 C ATOM 0 H LEU B 466 -14.801 -2.535 4.296 1.00 0.56 H new ATOM 0 HA LEU B 466 -12.777 -4.524 4.547 1.00 0.59 H new ATOM 0 HB2 LEU B 466 -13.502 -1.942 6.051 1.00 0.56 H new ATOM 0 HB3 LEU B 466 -11.969 -2.761 6.272 1.00 0.56 H new ATOM 0 HG LEU B 466 -13.020 -1.831 3.558 1.00 0.54 H new ATOM 0 HD11 LEU B 466 -11.345 -0.012 3.769 1.00 0.62 H new ATOM 0 HD12 LEU B 466 -12.560 0.086 5.065 1.00 0.62 H new ATOM 0 HD13 LEU B 466 -10.943 -0.573 5.410 1.00 0.62 H new ATOM 0 HD21 LEU B 466 -10.675 -2.236 2.849 1.00 0.52 H new ATOM 0 HD22 LEU B 466 -10.276 -2.794 4.491 1.00 0.52 H new ATOM 0 HD23 LEU B 466 -11.415 -3.723 3.488 1.00 0.52 H new ATOM 2756 N GLY B 467 -14.789 -4.402 7.125 1.00 0.77 N ATOM 2757 CA GLY B 467 -15.147 -5.170 8.352 1.00 0.97 C ATOM 2758 C GLY B 467 -15.643 -6.562 7.957 1.00 1.08 C ATOM 2759 O GLY B 467 -15.527 -7.509 8.710 1.00 1.38 O ATOM 0 H GLY B 467 -15.412 -3.626 6.902 1.00 0.77 H new ATOM 0 HA2 GLY B 467 -14.280 -5.254 9.007 1.00 0.97 H new ATOM 0 HA3 GLY B 467 -15.919 -4.642 8.911 1.00 0.97 H new