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 Single : A 404 THR OG1 : rot 180:sc= 0 USER MOD Single : A 408 GLN : amide:sc= -0.142 K(o=-0.14,f=-2!) USER MOD Single : A 416 SER OG : rot 180:sc= 0 USER MOD Single : A 418 HIS : no HE2:sc= -7.84! C(o=-7.8!,f=-12!) USER MOD Single : A 419 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 420 ASN : amide:sc= -0.13 K(o=-0.13,f=-1.6!) USER MOD Single : A 423 SER OG : rot 180:sc= 0 USER MOD Single : A 426 GLN : amide:sc= -0.531 K(o=-0.53,f=-3.8!) USER MOD Single : A 432 THR OG1 : rot 180:sc= 0 USER MOD Single : A 435 THR OG1 : rot 105:sc= 1.16 USER MOD Single : A 436 THR OG1 : rot 108:sc= 1.03 USER MOD Single : A 440 HIS :FLIP no HD1:sc= -0.132 F(o=-0.9,f=-0.13) USER MOD Single : A 441 THR OG1 : rot 71:sc= 0.465 USER MOD Single : A 442 GLN : amide:sc=-0.00257 X(o=-0.0026,f=0) USER MOD Single : A 444 HIS : no HD1:sc= -0.189 X(o=-0.19,f=-0.066) USER MOD Single : A 445 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 446 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 460 THR OG1 : rot 120: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= 0.00233 USER MOD Single : B 408 GLN : amide:sc= -0.134 K(o=-0.13,f=-2!) USER MOD Single : B 416 SER OG : rot 180:sc= 0 USER MOD Single : B 418 HIS : no HE2:sc= -7.71! C(o=-7.7!,f=-11!) USER MOD Single : B 419 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 420 ASN : amide:sc= -0.14 K(o=-0.14,f=-1.5!) USER MOD Single : B 423 SER OG : rot 180:sc= 0 USER MOD Single : B 426 GLN : amide:sc= -0.536 K(o=-0.54,f=-3.9!) USER MOD Single : B 432 THR OG1 : rot 180:sc= 0 USER MOD Single : B 435 THR OG1 : rot 99:sc= 1.16 USER MOD Single : B 436 THR OG1 : rot 116:sc= 1.17 USER MOD Single : B 440 HIS :FLIP no HD1:sc= -0.0722 F(o=-0.92,f=-0.072) USER MOD Single : B 441 THR OG1 : rot 71:sc= 0.434 USER MOD Single : B 442 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 444 HIS : no HD1:sc= -0.272 X(o=-0.27,f=-0.044) USER MOD Single : B 445 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 446 GLN : amide:sc= 0 X(o=0,f=-0.0091) USER MOD Single : B 458 THR OG1 : rot 180:sc= 0 USER MOD Single : B 460 THR OG1 : rot 89:sc= 1.28 USER MOD Single : B 462 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 464 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 325 N TRP A 402 5.490 3.500 4.116 1.00 0.95 N ATOM 326 CA TRP A 402 4.360 3.677 3.157 1.00 0.86 C ATOM 327 C TRP A 402 3.387 4.762 3.627 1.00 0.79 C ATOM 328 O TRP A 402 3.202 5.759 2.964 1.00 0.71 O ATOM 329 CB TRP A 402 3.659 2.323 3.127 1.00 0.96 C ATOM 330 CG TRP A 402 3.382 1.950 1.712 1.00 0.84 C ATOM 331 CD1 TRP A 402 4.275 1.377 0.876 1.00 0.94 C ATOM 332 CD2 TRP A 402 2.154 2.122 0.954 1.00 0.76 C ATOM 333 NE1 TRP A 402 3.672 1.176 -0.356 1.00 1.00 N ATOM 334 CE2 TRP A 402 2.363 1.619 -0.362 1.00 0.83 C ATOM 335 CE3 TRP A 402 0.882 2.660 1.275 1.00 0.78 C ATOM 336 CZ2 TRP A 402 1.343 1.648 -1.331 1.00 0.83 C ATOM 337 CZ3 TRP A 402 -0.148 2.693 0.304 1.00 0.72 C ATOM 338 CH2 TRP A 402 0.082 2.187 -0.997 1.00 0.69 C ATOM 0 HA TRP A 402 4.717 3.991 2.176 1.00 0.86 H new ATOM 0 HB2 TRP A 402 4.284 1.565 3.600 1.00 0.96 H new ATOM 0 HB3 TRP A 402 2.729 2.368 3.693 1.00 0.96 H new ATOM 0 HD1 TRP A 402 5.293 1.118 1.127 1.00 0.94 H new ATOM 0 HE1 TRP A 402 4.137 0.753 -1.159 1.00 1.00 H new ATOM 0 HE3 TRP A 402 0.698 3.047 2.266 1.00 0.78 H new ATOM 0 HZ2 TRP A 402 1.524 1.261 -2.323 1.00 0.83 H new ATOM 0 HZ3 TRP A 402 -1.113 3.106 0.558 1.00 0.72 H new ATOM 0 HH2 TRP A 402 -0.707 2.213 -1.734 1.00 0.69 H new ATOM 349 N ALA A 403 2.757 4.573 4.757 1.00 0.85 N ATOM 350 CA ALA A 403 1.786 5.597 5.256 1.00 0.85 C ATOM 351 C ALA A 403 2.390 7.002 5.173 1.00 0.80 C ATOM 352 O ALA A 403 1.755 7.930 4.717 1.00 0.76 O ATOM 353 CB ALA A 403 1.517 5.212 6.712 1.00 0.99 C ATOM 0 H ALA A 403 2.871 3.756 5.357 1.00 0.85 H new ATOM 0 HA ALA A 403 0.872 5.616 4.662 1.00 0.85 H new ATOM 0 HB1 ALA A 403 0.811 5.918 7.151 1.00 0.99 H new ATOM 0 HB2 ALA A 403 1.097 4.207 6.751 1.00 0.99 H new ATOM 0 HB3 ALA A 403 2.451 5.237 7.273 1.00 0.99 H new ATOM 359 N THR A 404 3.612 7.167 5.600 1.00 0.82 N ATOM 360 CA THR A 404 4.240 8.516 5.524 1.00 0.81 C ATOM 361 C THR A 404 4.290 8.974 4.063 1.00 0.70 C ATOM 362 O THR A 404 4.070 10.128 3.753 1.00 0.68 O ATOM 363 CB THR A 404 5.652 8.334 6.083 1.00 0.89 C ATOM 364 OG1 THR A 404 5.572 7.778 7.390 1.00 1.07 O ATOM 365 CG2 THR A 404 6.357 9.689 6.145 1.00 0.89 C ATOM 0 H THR A 404 4.199 6.432 5.995 1.00 0.82 H new ATOM 0 HA THR A 404 3.685 9.270 6.082 1.00 0.81 H new ATOM 0 HB THR A 404 6.217 7.664 5.435 1.00 0.89 H new ATOM 0 HG1 THR A 404 6.475 7.658 7.750 1.00 1.07 H new ATOM 0 HG21 THR A 404 7.363 9.558 6.544 1.00 0.89 H new ATOM 0 HG22 THR A 404 6.416 10.115 5.143 1.00 0.89 H new ATOM 0 HG23 THR A 404 5.795 10.362 6.793 1.00 0.89 H new ATOM 373 N LEU A 405 4.565 8.068 3.166 1.00 0.67 N ATOM 374 CA LEU A 405 4.618 8.433 1.721 1.00 0.61 C ATOM 375 C LEU A 405 3.199 8.667 1.198 1.00 0.53 C ATOM 376 O LEU A 405 2.981 9.426 0.275 1.00 0.52 O ATOM 377 CB LEU A 405 5.261 7.216 1.037 1.00 0.67 C ATOM 378 CG LEU A 405 5.447 7.456 -0.474 1.00 0.65 C ATOM 379 CD1 LEU A 405 4.103 7.307 -1.193 1.00 0.57 C ATOM 380 CD2 LEU A 405 6.012 8.860 -0.731 1.00 0.64 C ATOM 0 H LEU A 405 4.756 7.087 3.371 1.00 0.67 H new ATOM 0 HA LEU A 405 5.181 9.347 1.533 1.00 0.61 H new ATOM 0 HB2 LEU A 405 6.227 7.007 1.496 1.00 0.67 H new ATOM 0 HB3 LEU A 405 4.637 6.336 1.193 1.00 0.67 H new ATOM 0 HG LEU A 405 6.151 6.717 -0.858 1.00 0.65 H new ATOM 0 HD11 LEU A 405 4.241 7.478 -2.261 1.00 0.57 H new ATOM 0 HD12 LEU A 405 3.715 6.301 -1.033 1.00 0.57 H new ATOM 0 HD13 LEU A 405 3.396 8.036 -0.797 1.00 0.57 H new ATOM 0 HD21 LEU A 405 6.137 9.011 -1.803 1.00 0.64 H new ATOM 0 HD22 LEU A 405 5.323 9.607 -0.337 1.00 0.64 H new ATOM 0 HD23 LEU A 405 6.978 8.960 -0.236 1.00 0.64 H new ATOM 392 N LEU A 406 2.235 8.014 1.784 1.00 0.53 N ATOM 393 CA LEU A 406 0.827 8.184 1.332 1.00 0.50 C ATOM 394 C LEU A 406 0.256 9.493 1.881 1.00 0.49 C ATOM 395 O LEU A 406 -0.518 10.165 1.228 1.00 0.45 O ATOM 396 CB LEU A 406 0.081 6.977 1.911 1.00 0.58 C ATOM 397 CG LEU A 406 -1.055 6.573 0.968 1.00 0.60 C ATOM 398 CD1 LEU A 406 -0.484 6.213 -0.405 1.00 0.94 C ATOM 399 CD2 LEU A 406 -1.786 5.357 1.541 1.00 1.02 C ATOM 0 H LEU A 406 2.363 7.366 2.561 1.00 0.53 H new ATOM 0 HA LEU A 406 0.737 8.232 0.247 1.00 0.50 H new ATOM 0 HB2 LEU A 406 0.769 6.142 2.046 1.00 0.58 H new ATOM 0 HB3 LEU A 406 -0.320 7.222 2.895 1.00 0.58 H new ATOM 0 HG LEU A 406 -1.749 7.407 0.867 1.00 0.60 H new ATOM 0 HD11 LEU A 406 -1.296 5.926 -1.073 1.00 0.94 H new ATOM 0 HD12 LEU A 406 0.039 7.075 -0.819 1.00 0.94 H new ATOM 0 HD13 LEU A 406 0.213 5.381 -0.303 1.00 0.94 H new ATOM 0 HD21 LEU A 406 -2.595 5.069 0.870 1.00 1.02 H new ATOM 0 HD22 LEU A 406 -1.087 4.527 1.643 1.00 1.02 H new ATOM 0 HD23 LEU A 406 -2.198 5.607 2.519 1.00 1.02 H new ATOM 411 N ALA A 407 0.638 9.867 3.071 1.00 0.56 N ATOM 412 CA ALA A 407 0.122 11.138 3.652 1.00 0.59 C ATOM 413 C ALA A 407 0.658 12.324 2.848 1.00 0.57 C ATOM 414 O ALA A 407 -0.083 13.198 2.444 1.00 0.61 O ATOM 415 CB ALA A 407 0.659 11.167 5.082 1.00 0.70 C ATOM 0 H ALA A 407 1.284 9.348 3.665 1.00 0.56 H new ATOM 0 HA ALA A 407 -0.966 11.199 3.631 1.00 0.59 H new ATOM 0 HB1 ALA A 407 0.321 12.076 5.579 1.00 0.70 H new ATOM 0 HB2 ALA A 407 0.291 10.298 5.627 1.00 0.70 H new ATOM 0 HB3 ALA A 407 1.749 11.148 5.062 1.00 0.70 H new ATOM 421 N GLN A 408 1.941 12.355 2.606 1.00 0.57 N ATOM 422 CA GLN A 408 2.522 13.479 1.818 1.00 0.57 C ATOM 423 C GLN A 408 2.078 13.370 0.358 1.00 0.50 C ATOM 424 O GLN A 408 1.833 14.360 -0.303 1.00 0.50 O ATOM 425 CB GLN A 408 4.037 13.304 1.934 1.00 0.62 C ATOM 426 CG GLN A 408 4.546 14.056 3.166 1.00 0.75 C ATOM 427 CD GLN A 408 5.915 14.668 2.862 1.00 0.78 C ATOM 428 OE1 GLN A 408 6.550 14.312 1.888 1.00 1.29 O ATOM 429 NE2 GLN A 408 6.400 15.580 3.659 1.00 1.46 N ATOM 0 H GLN A 408 2.610 11.652 2.919 1.00 0.57 H new ATOM 0 HA GLN A 408 2.200 14.455 2.181 1.00 0.57 H new ATOM 0 HB2 GLN A 408 4.286 12.246 2.012 1.00 0.62 H new ATOM 0 HB3 GLN A 408 4.527 13.681 1.036 1.00 0.62 H new ATOM 0 HG2 GLN A 408 3.840 14.838 3.445 1.00 0.75 H new ATOM 0 HG3 GLN A 408 4.620 13.376 4.015 1.00 0.75 H new ATOM 0 HE21 GLN A 408 5.867 15.879 4.476 1.00 1.46 H new ATOM 0 HE22 GLN A 408 7.312 15.994 3.465 1.00 1.46 H new ATOM 438 N TRP A 409 1.966 12.172 -0.146 1.00 0.46 N ATOM 439 CA TRP A 409 1.532 11.993 -1.561 1.00 0.43 C ATOM 440 C TRP A 409 0.092 12.495 -1.727 1.00 0.40 C ATOM 441 O TRP A 409 -0.175 13.404 -2.487 1.00 0.41 O ATOM 442 CB TRP A 409 1.624 10.481 -1.807 1.00 0.43 C ATOM 443 CG TRP A 409 0.973 10.130 -3.109 1.00 0.42 C ATOM 444 CD1 TRP A 409 1.482 10.407 -4.334 1.00 0.50 C ATOM 445 CD2 TRP A 409 -0.290 9.443 -3.334 1.00 0.40 C ATOM 446 NE1 TRP A 409 0.608 9.936 -5.300 1.00 0.53 N ATOM 447 CE2 TRP A 409 -0.499 9.333 -4.739 1.00 0.47 C ATOM 448 CE3 TRP A 409 -1.274 8.907 -2.463 1.00 0.39 C ATOM 449 CZ2 TRP A 409 -1.647 8.710 -5.265 1.00 0.50 C ATOM 450 CZ3 TRP A 409 -2.431 8.279 -2.987 1.00 0.43 C ATOM 451 CH2 TRP A 409 -2.616 8.182 -4.386 1.00 0.48 C ATOM 0 H TRP A 409 2.156 11.308 0.361 1.00 0.46 H new ATOM 0 HA TRP A 409 2.143 12.553 -2.269 1.00 0.43 H new ATOM 0 HB2 TRP A 409 2.669 10.170 -1.818 1.00 0.43 H new ATOM 0 HB3 TRP A 409 1.140 9.942 -0.993 1.00 0.43 H new ATOM 0 HD1 TRP A 409 2.417 10.913 -4.526 1.00 0.50 H new ATOM 0 HE1 TRP A 409 0.764 10.024 -6.304 1.00 0.53 H new ATOM 0 HE3 TRP A 409 -1.140 8.978 -1.394 1.00 0.39 H new ATOM 0 HZ2 TRP A 409 -1.785 8.637 -6.334 1.00 0.50 H new ATOM 0 HZ3 TRP A 409 -3.174 7.873 -2.316 1.00 0.43 H new ATOM 0 HH2 TRP A 409 -3.500 7.703 -4.782 1.00 0.48 H new ATOM 462 N ALA A 410 -0.835 11.910 -1.018 1.00 0.42 N ATOM 463 CA ALA A 410 -2.252 12.356 -1.135 1.00 0.44 C ATOM 464 C ALA A 410 -2.357 13.853 -0.840 1.00 0.45 C ATOM 465 O ALA A 410 -3.199 14.545 -1.378 1.00 0.47 O ATOM 466 CB ALA A 410 -3.010 11.544 -0.086 1.00 0.51 C ATOM 0 H ALA A 410 -0.673 11.144 -0.364 1.00 0.42 H new ATOM 0 HA ALA A 410 -2.655 12.201 -2.136 1.00 0.44 H new ATOM 0 HB1 ALA A 410 -4.065 11.815 -0.109 1.00 0.51 H new ATOM 0 HB2 ALA A 410 -2.904 10.481 -0.302 1.00 0.51 H new ATOM 0 HB3 ALA A 410 -2.602 11.756 0.902 1.00 0.51 H new ATOM 472 N ASP A 411 -1.506 14.360 0.008 1.00 0.48 N ATOM 473 CA ASP A 411 -1.555 15.814 0.332 1.00 0.53 C ATOM 474 C ASP A 411 -1.054 16.632 -0.861 1.00 0.53 C ATOM 475 O ASP A 411 -1.630 17.639 -1.222 1.00 0.58 O ATOM 476 CB ASP A 411 -0.623 15.988 1.531 1.00 0.60 C ATOM 477 CG ASP A 411 -0.818 17.384 2.129 1.00 1.03 C ATOM 478 OD1 ASP A 411 -0.215 18.313 1.621 1.00 1.51 O ATOM 479 OD2 ASP A 411 -1.567 17.498 3.085 1.00 1.78 O ATOM 0 H ASP A 411 -0.779 13.831 0.490 1.00 0.48 H new ATOM 0 HA ASP A 411 -2.566 16.155 0.553 1.00 0.53 H new ATOM 0 HB2 ASP A 411 -0.833 15.226 2.282 1.00 0.60 H new ATOM 0 HB3 ASP A 411 0.414 15.854 1.222 1.00 0.60 H new ATOM 484 N ARG A 412 0.014 16.204 -1.479 1.00 0.51 N ATOM 485 CA ARG A 412 0.546 16.955 -2.651 1.00 0.56 C ATOM 486 C ARG A 412 -0.532 17.065 -3.730 1.00 0.55 C ATOM 487 O ARG A 412 -0.667 18.077 -4.389 1.00 0.63 O ATOM 488 CB ARG A 412 1.727 16.124 -3.153 1.00 0.58 C ATOM 489 CG ARG A 412 2.597 16.980 -4.075 1.00 0.96 C ATOM 490 CD ARG A 412 3.267 18.088 -3.259 1.00 1.50 C ATOM 491 NE ARG A 412 4.729 17.870 -3.443 1.00 1.90 N ATOM 492 CZ ARG A 412 5.444 18.752 -4.084 1.00 2.41 C ATOM 493 NH1 ARG A 412 5.944 19.775 -3.446 1.00 3.02 N ATOM 494 NH2 ARG A 412 5.661 18.610 -5.363 1.00 2.89 N ATOM 0 H ARG A 412 0.540 15.368 -1.223 1.00 0.51 H new ATOM 0 HA ARG A 412 0.847 17.970 -2.393 1.00 0.56 H new ATOM 0 HB2 ARG A 412 2.317 15.764 -2.310 1.00 0.58 H new ATOM 0 HB3 ARG A 412 1.366 15.246 -3.688 1.00 0.58 H new ATOM 0 HG2 ARG A 412 3.353 16.361 -4.558 1.00 0.96 H new ATOM 0 HG3 ARG A 412 1.988 17.415 -4.867 1.00 0.96 H new ATOM 0 HD2 ARG A 412 2.967 19.075 -3.612 1.00 1.50 H new ATOM 0 HD3 ARG A 412 2.988 18.028 -2.207 1.00 1.50 H new ATOM 0 HE ARG A 412 5.171 17.031 -3.068 1.00 1.90 H new ATOM 0 HH11 ARG A 412 5.775 19.884 -2.446 1.00 3.02 H new ATOM 0 HH12 ARG A 412 6.503 20.465 -3.947 1.00 3.02 H new ATOM 0 HH21 ARG A 412 5.271 17.809 -5.861 1.00 2.89 H new ATOM 0 HH22 ARG A 412 6.220 19.300 -5.865 1.00 2.89 H new ATOM 508 N ALA A 413 -1.303 16.030 -3.909 1.00 0.50 N ATOM 509 CA ALA A 413 -2.379 16.068 -4.939 1.00 0.53 C ATOM 510 C ALA A 413 -3.542 16.933 -4.448 1.00 0.57 C ATOM 511 O ALA A 413 -4.183 17.623 -5.216 1.00 0.66 O ATOM 512 CB ALA A 413 -2.822 14.614 -5.101 1.00 0.53 C ATOM 0 H ALA A 413 -1.235 15.157 -3.386 1.00 0.50 H new ATOM 0 HA ALA A 413 -2.038 16.496 -5.882 1.00 0.53 H new ATOM 0 HB1 ALA A 413 -3.616 14.556 -5.846 1.00 0.53 H new ATOM 0 HB2 ALA A 413 -1.975 14.010 -5.426 1.00 0.53 H new ATOM 0 HB3 ALA A 413 -3.191 14.238 -4.147 1.00 0.53 H new ATOM 518 N LEU A 414 -3.817 16.903 -3.172 1.00 0.54 N ATOM 519 CA LEU A 414 -4.936 17.726 -2.631 1.00 0.61 C ATOM 520 C LEU A 414 -4.742 19.194 -3.018 1.00 0.71 C ATOM 521 O LEU A 414 -5.650 19.846 -3.495 1.00 0.82 O ATOM 522 CB LEU A 414 -4.856 17.556 -1.112 1.00 0.63 C ATOM 523 CG LEU A 414 -6.119 16.858 -0.608 1.00 0.71 C ATOM 524 CD1 LEU A 414 -6.062 15.373 -0.971 1.00 1.11 C ATOM 525 CD2 LEU A 414 -6.211 17.006 0.913 1.00 1.04 C ATOM 0 H LEU A 414 -3.315 16.345 -2.481 1.00 0.54 H new ATOM 0 HA LEU A 414 -5.905 17.418 -3.024 1.00 0.61 H new ATOM 0 HB2 LEU A 414 -3.975 16.972 -0.847 1.00 0.63 H new ATOM 0 HB3 LEU A 414 -4.750 18.529 -0.632 1.00 0.63 H new ATOM 0 HG LEU A 414 -6.994 17.313 -1.072 1.00 0.71 H new ATOM 0 HD11 LEU A 414 -6.963 14.876 -0.611 1.00 1.11 H new ATOM 0 HD12 LEU A 414 -5.996 15.265 -2.054 1.00 1.11 H new ATOM 0 HD13 LEU A 414 -5.187 14.918 -0.507 1.00 1.11 H new ATOM 0 HD21 LEU A 414 -7.111 16.508 1.273 1.00 1.04 H new ATOM 0 HD22 LEU A 414 -5.335 16.552 1.376 1.00 1.04 H new ATOM 0 HD23 LEU A 414 -6.252 18.064 1.174 1.00 1.04 H new ATOM 537 N ARG A 415 -3.564 19.717 -2.817 1.00 0.73 N ATOM 538 CA ARG A 415 -3.309 21.140 -3.172 1.00 0.86 C ATOM 539 C ARG A 415 -2.897 21.252 -4.643 1.00 0.92 C ATOM 540 O ARG A 415 -1.911 21.878 -4.976 1.00 1.26 O ATOM 541 CB ARG A 415 -2.162 21.575 -2.259 1.00 1.01 C ATOM 542 CG ARG A 415 -2.608 21.483 -0.799 1.00 1.40 C ATOM 543 CD ARG A 415 -1.692 22.348 0.069 1.00 1.61 C ATOM 544 NE ARG A 415 -2.212 22.186 1.455 1.00 2.27 N ATOM 545 CZ ARG A 415 -2.260 23.215 2.257 1.00 2.92 C ATOM 546 NH1 ARG A 415 -2.849 24.315 1.872 1.00 3.70 N ATOM 547 NH2 ARG A 415 -1.719 23.145 3.443 1.00 3.32 N ATOM 0 H ARG A 415 -2.766 19.219 -2.422 1.00 0.73 H new ATOM 0 HA ARG A 415 -4.193 21.764 -3.042 1.00 0.86 H new ATOM 0 HB2 ARG A 415 -1.291 20.941 -2.425 1.00 1.01 H new ATOM 0 HB3 ARG A 415 -1.863 22.596 -2.495 1.00 1.01 H new ATOM 0 HG2 ARG A 415 -3.641 21.817 -0.701 1.00 1.40 H new ATOM 0 HG3 ARG A 415 -2.575 20.447 -0.462 1.00 1.40 H new ATOM 0 HD2 ARG A 415 -0.655 22.022 -0.004 1.00 1.61 H new ATOM 0 HD3 ARG A 415 -1.721 23.392 -0.244 1.00 1.61 H new ATOM 0 HE ARG A 415 -2.530 21.272 1.777 1.00 2.27 H new ATOM 0 HH11 ARG A 415 -3.271 24.370 0.945 1.00 3.70 H new ATOM 0 HH12 ARG A 415 -2.887 25.119 2.498 1.00 3.70 H new ATOM 0 HH21 ARG A 415 -1.258 22.286 3.744 1.00 3.32 H new ATOM 0 HH22 ARG A 415 -1.757 23.949 4.069 1.00 3.32 H new ATOM 561 N SER A 416 -3.645 20.649 -5.527 1.00 0.90 N ATOM 562 CA SER A 416 -3.295 20.721 -6.974 1.00 0.99 C ATOM 563 C SER A 416 -4.476 20.250 -7.829 1.00 0.99 C ATOM 564 O SER A 416 -5.074 21.018 -8.556 1.00 1.63 O ATOM 565 CB SER A 416 -2.105 19.779 -7.142 1.00 1.20 C ATOM 566 OG SER A 416 -1.146 20.381 -8.000 1.00 1.69 O ATOM 0 H SER A 416 -4.483 20.110 -5.309 1.00 0.90 H new ATOM 0 HA SER A 416 -3.059 21.737 -7.290 1.00 0.99 H new ATOM 0 HB2 SER A 416 -1.657 19.564 -6.172 1.00 1.20 H new ATOM 0 HB3 SER A 416 -2.436 18.828 -7.558 1.00 1.20 H new ATOM 0 HG SER A 416 -0.380 19.779 -8.108 1.00 1.69 H new ATOM 572 N GLY A 417 -4.817 18.992 -7.745 1.00 1.06 N ATOM 573 CA GLY A 417 -5.957 18.475 -8.554 1.00 1.06 C ATOM 574 C GLY A 417 -6.099 16.967 -8.334 1.00 0.99 C ATOM 575 O GLY A 417 -6.145 16.195 -9.272 1.00 1.31 O ATOM 0 H GLY A 417 -4.356 18.302 -7.152 1.00 1.06 H new ATOM 0 HA2 GLY A 417 -6.878 18.983 -8.269 1.00 1.06 H new ATOM 0 HA3 GLY A 417 -5.791 18.685 -9.611 1.00 1.06 H new ATOM 579 N HIS A 418 -6.169 16.540 -7.102 1.00 0.78 N ATOM 580 CA HIS A 418 -6.308 15.082 -6.823 1.00 0.87 C ATOM 581 C HIS A 418 -7.609 14.540 -7.431 1.00 0.89 C ATOM 582 O HIS A 418 -8.458 15.288 -7.872 1.00 1.17 O ATOM 583 CB HIS A 418 -6.327 14.970 -5.293 1.00 1.01 C ATOM 584 CG HIS A 418 -7.593 15.571 -4.732 1.00 1.68 C ATOM 585 ND1 HIS A 418 -8.440 16.374 -5.484 1.00 2.18 N ATOM 586 CD2 HIS A 418 -8.166 15.491 -3.487 1.00 2.31 C ATOM 587 CE1 HIS A 418 -9.463 16.739 -4.690 1.00 2.86 C ATOM 588 NE2 HIS A 418 -9.345 16.228 -3.463 1.00 2.97 N ATOM 0 H HIS A 418 -6.136 17.138 -6.276 1.00 0.78 H new ATOM 0 HA HIS A 418 -5.498 14.499 -7.261 1.00 0.87 H new ATOM 0 HB2 HIS A 418 -6.254 13.923 -4.999 1.00 1.01 H new ATOM 0 HB3 HIS A 418 -5.459 15.480 -4.875 1.00 1.01 H new ATOM 0 HD1 HIS A 418 -8.310 16.639 -6.460 1.00 2.18 H new ATOM 0 HD2 HIS A 418 -7.762 14.939 -2.652 1.00 2.31 H new ATOM 0 HE1 HIS A 418 -10.281 17.369 -5.007 1.00 2.86 H new ATOM 596 N GLN A 419 -7.769 13.244 -7.455 1.00 1.08 N ATOM 597 CA GLN A 419 -9.012 12.658 -8.030 1.00 1.25 C ATOM 598 C GLN A 419 -9.117 11.175 -7.664 1.00 1.03 C ATOM 599 O GLN A 419 -9.889 10.792 -6.806 1.00 1.28 O ATOM 600 CB GLN A 419 -8.866 12.831 -9.543 1.00 1.71 C ATOM 601 CG GLN A 419 -10.041 13.648 -10.083 1.00 2.33 C ATOM 602 CD GLN A 419 -10.926 12.756 -10.957 1.00 2.91 C ATOM 603 OE1 GLN A 419 -11.970 12.307 -10.527 1.00 3.29 O ATOM 604 NE2 GLN A 419 -10.550 12.478 -12.175 1.00 3.52 N ATOM 0 H GLN A 419 -7.093 12.567 -7.101 1.00 1.08 H new ATOM 0 HA GLN A 419 -9.912 13.141 -7.650 1.00 1.25 H new ATOM 0 HB2 GLN A 419 -7.926 13.332 -9.773 1.00 1.71 H new ATOM 0 HB3 GLN A 419 -8.834 11.856 -10.029 1.00 1.71 H new ATOM 0 HG2 GLN A 419 -10.623 14.058 -9.257 1.00 2.33 H new ATOM 0 HG3 GLN A 419 -9.673 14.494 -10.664 1.00 2.33 H new ATOM 0 HE21 GLN A 419 -9.674 12.855 -12.537 1.00 3.52 H new ATOM 0 HE22 GLN A 419 -11.132 11.884 -12.766 1.00 3.52 H new ATOM 613 N ASN A 420 -8.348 10.337 -8.303 1.00 0.78 N ATOM 614 CA ASN A 420 -8.406 8.882 -7.990 1.00 0.70 C ATOM 615 C ASN A 420 -7.405 8.538 -6.884 1.00 0.58 C ATOM 616 O ASN A 420 -6.606 7.632 -7.017 1.00 0.71 O ATOM 617 CB ASN A 420 -8.029 8.180 -9.295 1.00 0.86 C ATOM 618 CG ASN A 420 -9.293 7.923 -10.117 1.00 1.35 C ATOM 619 OD1 ASN A 420 -10.343 7.651 -9.570 1.00 1.96 O ATOM 620 ND2 ASN A 420 -9.237 7.999 -11.419 1.00 1.88 N ATOM 0 H ASN A 420 -7.681 10.598 -9.029 1.00 0.78 H new ATOM 0 HA ASN A 420 -9.389 8.575 -7.633 1.00 0.70 H new ATOM 0 HB2 ASN A 420 -7.331 8.795 -9.863 1.00 0.86 H new ATOM 0 HB3 ASN A 420 -7.523 7.238 -9.081 1.00 0.86 H new ATOM 0 HD21 ASN A 420 -10.074 7.830 -11.976 1.00 1.88 H new ATOM 0 HD22 ASN A 420 -8.356 8.227 -11.879 1.00 1.88 H new ATOM 627 N LEU A 421 -7.440 9.255 -5.795 1.00 0.45 N ATOM 628 CA LEU A 421 -6.489 8.970 -4.682 1.00 0.40 C ATOM 629 C LEU A 421 -6.557 7.491 -4.288 1.00 0.39 C ATOM 630 O LEU A 421 -5.695 6.707 -4.632 1.00 0.53 O ATOM 631 CB LEU A 421 -6.957 9.854 -3.525 1.00 0.42 C ATOM 632 CG LEU A 421 -6.246 11.206 -3.593 1.00 0.39 C ATOM 633 CD1 LEU A 421 -7.238 12.322 -3.260 1.00 0.50 C ATOM 634 CD2 LEU A 421 -5.097 11.228 -2.583 1.00 0.41 C ATOM 0 H LEU A 421 -8.086 10.026 -5.627 1.00 0.45 H new ATOM 0 HA LEU A 421 -5.456 9.175 -4.962 1.00 0.40 H new ATOM 0 HB2 LEU A 421 -8.036 9.996 -3.576 1.00 0.42 H new ATOM 0 HB3 LEU A 421 -6.745 9.367 -2.573 1.00 0.42 H new ATOM 0 HG LEU A 421 -5.851 11.359 -4.597 1.00 0.39 H new ATOM 0 HD11 LEU A 421 -6.731 13.286 -3.308 1.00 0.50 H new ATOM 0 HD12 LEU A 421 -8.058 12.307 -3.978 1.00 0.50 H new ATOM 0 HD13 LEU A 421 -7.633 12.170 -2.256 1.00 0.50 H new ATOM 0 HD21 LEU A 421 -4.589 12.191 -2.630 1.00 0.41 H new ATOM 0 HD22 LEU A 421 -5.492 11.075 -1.579 1.00 0.41 H new ATOM 0 HD23 LEU A 421 -4.390 10.433 -2.819 1.00 0.41 H new ATOM 646 N LEU A 422 -7.572 7.108 -3.564 1.00 0.33 N ATOM 647 CA LEU A 422 -7.694 5.682 -3.142 1.00 0.34 C ATOM 648 C LEU A 422 -7.715 4.761 -4.365 1.00 0.35 C ATOM 649 O LEU A 422 -7.272 3.631 -4.310 1.00 0.37 O ATOM 650 CB LEU A 422 -9.025 5.606 -2.393 1.00 0.37 C ATOM 651 CG LEU A 422 -8.809 5.988 -0.928 1.00 0.38 C ATOM 652 CD1 LEU A 422 -10.158 6.293 -0.275 1.00 0.58 C ATOM 653 CD2 LEU A 422 -8.139 4.825 -0.193 1.00 0.63 C ATOM 0 H LEU A 422 -8.323 7.720 -3.246 1.00 0.33 H new ATOM 0 HA LEU A 422 -6.855 5.364 -2.523 1.00 0.34 H new ATOM 0 HB2 LEU A 422 -9.751 6.277 -2.852 1.00 0.37 H new ATOM 0 HB3 LEU A 422 -9.435 4.598 -2.460 1.00 0.37 H new ATOM 0 HG LEU A 422 -8.172 6.870 -0.873 1.00 0.38 H new ATOM 0 HD11 LEU A 422 -10.004 6.565 0.769 1.00 0.58 H new ATOM 0 HD12 LEU A 422 -10.637 7.120 -0.799 1.00 0.58 H new ATOM 0 HD13 LEU A 422 -10.796 5.411 -0.329 1.00 0.58 H new ATOM 0 HD21 LEU A 422 -7.984 5.096 0.851 1.00 0.63 H new ATOM 0 HD22 LEU A 422 -8.777 3.943 -0.249 1.00 0.63 H new ATOM 0 HD23 LEU A 422 -7.177 4.607 -0.658 1.00 0.63 H new ATOM 665 N SER A 423 -8.231 5.234 -5.464 1.00 0.35 N ATOM 666 CA SER A 423 -8.285 4.384 -6.689 1.00 0.38 C ATOM 667 C SER A 423 -6.880 4.181 -7.268 1.00 0.36 C ATOM 668 O SER A 423 -6.657 3.305 -8.081 1.00 0.40 O ATOM 669 CB SER A 423 -9.160 5.162 -7.671 1.00 0.44 C ATOM 670 OG SER A 423 -10.448 4.563 -7.730 1.00 1.23 O ATOM 0 H SER A 423 -8.618 6.172 -5.569 1.00 0.35 H new ATOM 0 HA SER A 423 -8.684 3.391 -6.480 1.00 0.38 H new ATOM 0 HB2 SER A 423 -9.244 6.202 -7.356 1.00 0.44 H new ATOM 0 HB3 SER A 423 -8.702 5.165 -8.660 1.00 0.44 H new ATOM 0 HG SER A 423 -11.012 5.061 -8.358 1.00 1.23 H new ATOM 676 N GLU A 424 -5.933 4.982 -6.862 1.00 0.34 N ATOM 677 CA GLU A 424 -4.549 4.829 -7.398 1.00 0.36 C ATOM 678 C GLU A 424 -3.794 3.741 -6.626 1.00 0.32 C ATOM 679 O GLU A 424 -3.274 2.806 -7.203 1.00 0.33 O ATOM 680 CB GLU A 424 -3.889 6.192 -7.187 1.00 0.38 C ATOM 681 CG GLU A 424 -3.843 6.947 -8.517 1.00 0.58 C ATOM 682 CD GLU A 424 -3.578 8.431 -8.255 1.00 0.81 C ATOM 683 OE1 GLU A 424 -3.812 8.867 -7.140 1.00 1.54 O ATOM 684 OE2 GLU A 424 -3.147 9.107 -9.175 1.00 1.22 O ATOM 0 H GLU A 424 -6.056 5.734 -6.184 1.00 0.34 H new ATOM 0 HA GLU A 424 -4.545 4.531 -8.447 1.00 0.36 H new ATOM 0 HB2 GLU A 424 -4.447 6.768 -6.449 1.00 0.38 H new ATOM 0 HB3 GLU A 424 -2.880 6.063 -6.795 1.00 0.38 H new ATOM 0 HG2 GLU A 424 -3.061 6.534 -9.154 1.00 0.58 H new ATOM 0 HG3 GLU A 424 -4.786 6.824 -9.050 1.00 0.58 H new ATOM 691 N ALA A 425 -3.728 3.854 -5.328 1.00 0.31 N ATOM 692 CA ALA A 425 -3.003 2.826 -4.524 1.00 0.29 C ATOM 693 C ALA A 425 -3.879 1.582 -4.320 1.00 0.28 C ATOM 694 O ALA A 425 -3.409 0.547 -3.894 1.00 0.28 O ATOM 695 CB ALA A 425 -2.711 3.504 -3.185 1.00 0.29 C ATOM 0 H ALA A 425 -4.144 4.613 -4.788 1.00 0.31 H new ATOM 0 HA ALA A 425 -2.093 2.488 -5.019 1.00 0.29 H new ATOM 0 HB1 ALA A 425 -2.178 2.811 -2.535 1.00 0.29 H new ATOM 0 HB2 ALA A 425 -2.098 4.390 -3.352 1.00 0.29 H new ATOM 0 HB3 ALA A 425 -3.649 3.796 -2.713 1.00 0.29 H new ATOM 701 N GLN A 426 -5.148 1.672 -4.621 1.00 0.30 N ATOM 702 CA GLN A 426 -6.043 0.491 -4.443 1.00 0.31 C ATOM 703 C GLN A 426 -5.452 -0.746 -5.136 1.00 0.30 C ATOM 704 O GLN A 426 -5.226 -1.758 -4.499 1.00 0.30 O ATOM 705 CB GLN A 426 -7.365 0.889 -5.099 1.00 0.36 C ATOM 706 CG GLN A 426 -8.459 0.977 -4.034 1.00 0.45 C ATOM 707 CD GLN A 426 -9.678 1.699 -4.611 1.00 0.54 C ATOM 708 OE1 GLN A 426 -9.938 2.838 -4.278 1.00 1.23 O ATOM 709 NE2 GLN A 426 -10.443 1.080 -5.469 1.00 1.09 N ATOM 0 H GLN A 426 -5.603 2.511 -4.982 1.00 0.30 H new ATOM 0 HA GLN A 426 -6.169 0.232 -3.392 1.00 0.31 H new ATOM 0 HB2 GLN A 426 -7.257 1.849 -5.605 1.00 0.36 H new ATOM 0 HB3 GLN A 426 -7.641 0.157 -5.859 1.00 0.36 H new ATOM 0 HG2 GLN A 426 -8.739 -0.023 -3.702 1.00 0.45 H new ATOM 0 HG3 GLN A 426 -8.087 1.511 -3.159 1.00 0.45 H new ATOM 0 HE21 GLN A 426 -10.225 0.124 -5.749 1.00 1.09 H new ATOM 0 HE22 GLN A 426 -11.258 1.553 -5.859 1.00 1.09 H new ATOM 718 N PRO A 427 -5.222 -0.634 -6.423 1.00 0.32 N ATOM 719 CA PRO A 427 -4.657 -1.773 -7.188 1.00 0.34 C ATOM 720 C PRO A 427 -3.206 -2.031 -6.776 1.00 0.31 C ATOM 721 O PRO A 427 -2.666 -3.093 -7.010 1.00 0.35 O ATOM 722 CB PRO A 427 -4.749 -1.314 -8.642 1.00 0.39 C ATOM 723 CG PRO A 427 -4.769 0.177 -8.573 1.00 0.38 C ATOM 724 CD PRO A 427 -5.452 0.540 -7.280 1.00 0.35 C ATOM 0 HA PRO A 427 -5.186 -2.710 -7.014 1.00 0.34 H new ATOM 0 HB2 PRO A 427 -3.899 -1.671 -9.224 1.00 0.39 H new ATOM 0 HB3 PRO A 427 -5.649 -1.700 -9.122 1.00 0.39 H new ATOM 0 HG2 PRO A 427 -3.757 0.580 -8.602 1.00 0.38 H new ATOM 0 HG3 PRO A 427 -5.304 0.597 -9.425 1.00 0.38 H new ATOM 0 HD2 PRO A 427 -5.028 1.444 -6.843 1.00 0.35 H new ATOM 0 HD3 PRO A 427 -6.516 0.726 -7.427 1.00 0.35 H new ATOM 732 N GLU A 428 -2.571 -1.074 -6.155 1.00 0.29 N ATOM 733 CA GLU A 428 -1.160 -1.281 -5.724 1.00 0.29 C ATOM 734 C GLU A 428 -1.105 -2.355 -4.634 1.00 0.27 C ATOM 735 O GLU A 428 -0.375 -3.323 -4.734 1.00 0.32 O ATOM 736 CB GLU A 428 -0.711 0.073 -5.173 1.00 0.29 C ATOM 737 CG GLU A 428 0.771 0.286 -5.487 1.00 0.71 C ATOM 738 CD GLU A 428 0.927 0.721 -6.946 1.00 1.37 C ATOM 739 OE1 GLU A 428 1.047 -0.148 -7.792 1.00 2.12 O ATOM 740 OE2 GLU A 428 0.922 1.917 -7.190 1.00 2.07 O ATOM 0 H GLU A 428 -2.967 -0.162 -5.929 1.00 0.29 H new ATOM 0 HA GLU A 428 -0.518 -1.617 -6.538 1.00 0.29 H new ATOM 0 HB2 GLU A 428 -1.306 0.873 -5.615 1.00 0.29 H new ATOM 0 HB3 GLU A 428 -0.875 0.112 -4.096 1.00 0.29 H new ATOM 0 HG2 GLU A 428 1.189 1.044 -4.824 1.00 0.71 H new ATOM 0 HG3 GLU A 428 1.327 -0.635 -5.310 1.00 0.71 H new ATOM 747 N LEU A 429 -1.879 -2.194 -3.594 1.00 0.26 N ATOM 748 CA LEU A 429 -1.882 -3.206 -2.499 1.00 0.26 C ATOM 749 C LEU A 429 -2.442 -4.533 -3.018 1.00 0.25 C ATOM 750 O LEU A 429 -1.921 -5.592 -2.731 1.00 0.28 O ATOM 751 CB LEU A 429 -2.794 -2.620 -1.420 1.00 0.26 C ATOM 752 CG LEU A 429 -2.973 -3.635 -0.286 1.00 0.29 C ATOM 753 CD1 LEU A 429 -2.202 -3.165 0.947 1.00 0.45 C ATOM 754 CD2 LEU A 429 -4.457 -3.754 0.063 1.00 0.56 C ATOM 0 H LEU A 429 -2.510 -1.404 -3.456 1.00 0.26 H new ATOM 0 HA LEU A 429 -0.882 -3.409 -2.116 1.00 0.26 H new ATOM 0 HB2 LEU A 429 -2.365 -1.697 -1.030 1.00 0.26 H new ATOM 0 HB3 LEU A 429 -3.763 -2.365 -1.849 1.00 0.26 H new ATOM 0 HG LEU A 429 -2.593 -4.605 -0.607 1.00 0.29 H new ATOM 0 HD11 LEU A 429 -2.330 -3.887 1.753 1.00 0.45 H new ATOM 0 HD12 LEU A 429 -1.143 -3.077 0.703 1.00 0.45 H new ATOM 0 HD13 LEU A 429 -2.582 -2.194 1.266 1.00 0.45 H new ATOM 0 HD21 LEU A 429 -4.584 -4.476 0.870 1.00 0.56 H new ATOM 0 HD22 LEU A 429 -4.835 -2.783 0.382 1.00 0.56 H new ATOM 0 HD23 LEU A 429 -5.011 -4.088 -0.814 1.00 0.56 H new ATOM 766 N GLU A 430 -3.501 -4.484 -3.780 1.00 0.27 N ATOM 767 CA GLU A 430 -4.090 -5.746 -4.314 1.00 0.28 C ATOM 768 C GLU A 430 -3.118 -6.409 -5.294 1.00 0.30 C ATOM 769 O GLU A 430 -3.129 -7.610 -5.478 1.00 0.33 O ATOM 770 CB GLU A 430 -5.368 -5.315 -5.035 1.00 0.30 C ATOM 771 CG GLU A 430 -6.568 -6.038 -4.420 1.00 0.61 C ATOM 772 CD GLU A 430 -7.327 -5.079 -3.502 1.00 1.45 C ATOM 773 OE1 GLU A 430 -7.912 -4.138 -4.014 1.00 2.05 O ATOM 774 OE2 GLU A 430 -7.309 -5.300 -2.303 1.00 2.18 O ATOM 0 H GLU A 430 -3.983 -3.628 -4.055 1.00 0.27 H new ATOM 0 HA GLU A 430 -4.293 -6.472 -3.527 1.00 0.28 H new ATOM 0 HB2 GLU A 430 -5.499 -4.236 -4.953 1.00 0.30 H new ATOM 0 HB3 GLU A 430 -5.295 -5.547 -6.097 1.00 0.30 H new ATOM 0 HG2 GLU A 430 -7.228 -6.404 -5.207 1.00 0.61 H new ATOM 0 HG3 GLU A 430 -6.232 -6.908 -3.856 1.00 0.61 H new ATOM 781 N ARG A 431 -2.277 -5.635 -5.925 1.00 0.33 N ATOM 782 CA ARG A 431 -1.307 -6.223 -6.894 1.00 0.37 C ATOM 783 C ARG A 431 -0.266 -7.069 -6.155 1.00 0.36 C ATOM 784 O ARG A 431 -0.051 -8.221 -6.475 1.00 0.38 O ATOM 785 CB ARG A 431 -0.641 -5.020 -7.567 1.00 0.41 C ATOM 786 CG ARG A 431 0.451 -5.505 -8.524 1.00 0.59 C ATOM 787 CD ARG A 431 1.354 -4.329 -8.904 1.00 1.32 C ATOM 788 NE ARG A 431 2.665 -4.947 -9.244 1.00 1.56 N ATOM 789 CZ ARG A 431 3.414 -5.451 -8.302 1.00 2.19 C ATOM 790 NH1 ARG A 431 3.655 -4.760 -7.221 1.00 2.87 N ATOM 791 NH2 ARG A 431 3.921 -6.645 -8.439 1.00 2.78 N ATOM 0 H ARG A 431 -2.219 -4.623 -5.812 1.00 0.33 H new ATOM 0 HA ARG A 431 -1.792 -6.878 -7.617 1.00 0.37 H new ATOM 0 HB2 ARG A 431 -1.384 -4.438 -8.112 1.00 0.41 H new ATOM 0 HB3 ARG A 431 -0.211 -4.361 -6.813 1.00 0.41 H new ATOM 0 HG2 ARG A 431 1.040 -6.292 -8.053 1.00 0.59 H new ATOM 0 HG3 ARG A 431 0.001 -5.936 -9.418 1.00 0.59 H new ATOM 0 HD2 ARG A 431 0.947 -3.776 -9.750 1.00 1.32 H new ATOM 0 HD3 ARG A 431 1.452 -3.623 -8.079 1.00 1.32 H new ATOM 0 HE ARG A 431 2.978 -4.976 -10.214 1.00 1.56 H new ATOM 0 HH11 ARG A 431 3.258 -3.827 -7.113 1.00 2.87 H new ATOM 0 HH12 ARG A 431 4.240 -5.153 -6.484 1.00 2.87 H new ATOM 0 HH21 ARG A 431 3.732 -7.186 -9.283 1.00 2.78 H new ATOM 0 HH22 ARG A 431 4.506 -7.038 -7.702 1.00 2.78 H new ATOM 805 N THR A 432 0.384 -6.507 -5.172 1.00 0.41 N ATOM 806 CA THR A 432 1.411 -7.285 -4.421 1.00 0.45 C ATOM 807 C THR A 432 0.794 -8.559 -3.836 1.00 0.40 C ATOM 808 O THR A 432 1.418 -9.600 -3.798 1.00 0.56 O ATOM 809 CB THR A 432 1.880 -6.355 -3.301 1.00 0.53 C ATOM 810 OG1 THR A 432 2.401 -5.160 -3.867 1.00 0.61 O ATOM 811 CG2 THR A 432 2.967 -7.050 -2.481 1.00 0.62 C ATOM 0 H THR A 432 0.249 -5.546 -4.857 1.00 0.41 H new ATOM 0 HA THR A 432 2.235 -7.598 -5.062 1.00 0.45 H new ATOM 0 HB THR A 432 1.038 -6.113 -2.652 1.00 0.53 H new ATOM 0 HG1 THR A 432 2.700 -4.562 -3.151 1.00 0.61 H new ATOM 0 HG21 THR A 432 3.301 -6.387 -1.683 1.00 0.62 H new ATOM 0 HG22 THR A 432 2.566 -7.966 -2.047 1.00 0.62 H new ATOM 0 HG23 THR A 432 3.810 -7.293 -3.127 1.00 0.62 H new ATOM 819 N LEU A 433 -0.425 -8.485 -3.377 1.00 0.33 N ATOM 820 CA LEU A 433 -1.076 -9.693 -2.793 1.00 0.30 C ATOM 821 C LEU A 433 -1.489 -10.663 -3.903 1.00 0.27 C ATOM 822 O LEU A 433 -1.138 -11.826 -3.886 1.00 0.25 O ATOM 823 CB LEU A 433 -2.309 -9.165 -2.058 1.00 0.37 C ATOM 824 CG LEU A 433 -2.337 -9.732 -0.637 1.00 0.42 C ATOM 825 CD1 LEU A 433 -2.391 -11.260 -0.699 1.00 0.41 C ATOM 826 CD2 LEU A 433 -1.075 -9.294 0.110 1.00 0.44 C ATOM 0 H LEU A 433 -0.998 -7.641 -3.381 1.00 0.33 H new ATOM 0 HA LEU A 433 -0.407 -10.239 -2.128 1.00 0.30 H new ATOM 0 HB2 LEU A 433 -2.288 -8.076 -2.026 1.00 0.37 H new ATOM 0 HB3 LEU A 433 -3.215 -9.451 -2.593 1.00 0.37 H new ATOM 0 HG LEU A 433 -3.217 -9.359 -0.113 1.00 0.42 H new ATOM 0 HD11 LEU A 433 -2.411 -11.665 0.313 1.00 0.41 H new ATOM 0 HD12 LEU A 433 -3.289 -11.571 -1.232 1.00 0.41 H new ATOM 0 HD13 LEU A 433 -1.511 -11.634 -1.222 1.00 0.41 H new ATOM 0 HD21 LEU A 433 -1.093 -9.697 1.123 1.00 0.44 H new ATOM 0 HD22 LEU A 433 -0.195 -9.667 -0.413 1.00 0.44 H new ATOM 0 HD23 LEU A 433 -1.037 -8.206 0.153 1.00 0.44 H new ATOM 838 N LEU A 434 -2.234 -10.196 -4.868 1.00 0.32 N ATOM 839 CA LEU A 434 -2.667 -11.096 -5.976 1.00 0.32 C ATOM 840 C LEU A 434 -1.455 -11.794 -6.596 1.00 0.29 C ATOM 841 O LEU A 434 -1.517 -12.947 -6.973 1.00 0.30 O ATOM 842 CB LEU A 434 -3.336 -10.174 -6.997 1.00 0.41 C ATOM 843 CG LEU A 434 -4.302 -10.985 -7.860 1.00 0.65 C ATOM 844 CD1 LEU A 434 -5.611 -11.200 -7.099 1.00 0.84 C ATOM 845 CD2 LEU A 434 -4.587 -10.223 -9.157 1.00 1.14 C ATOM 0 H LEU A 434 -2.561 -9.232 -4.937 1.00 0.32 H new ATOM 0 HA LEU A 434 -3.341 -11.880 -5.631 1.00 0.32 H new ATOM 0 HB2 LEU A 434 -3.872 -9.375 -6.485 1.00 0.41 H new ATOM 0 HB3 LEU A 434 -2.581 -9.700 -7.624 1.00 0.41 H new ATOM 0 HG LEU A 434 -3.856 -11.951 -8.094 1.00 0.65 H new ATOM 0 HD11 LEU A 434 -6.299 -11.778 -7.715 1.00 0.84 H new ATOM 0 HD12 LEU A 434 -5.410 -11.741 -6.174 1.00 0.84 H new ATOM 0 HD13 LEU A 434 -6.058 -10.234 -6.864 1.00 0.84 H new ATOM 0 HD21 LEU A 434 -5.276 -10.800 -9.774 1.00 1.14 H new ATOM 0 HD22 LEU A 434 -5.033 -9.257 -8.921 1.00 1.14 H new ATOM 0 HD23 LEU A 434 -3.655 -10.069 -9.701 1.00 1.14 H new ATOM 857 N THR A 435 -0.350 -11.107 -6.703 1.00 0.34 N ATOM 858 CA THR A 435 0.864 -11.738 -7.297 1.00 0.37 C ATOM 859 C THR A 435 1.484 -12.722 -6.303 1.00 0.35 C ATOM 860 O THR A 435 1.880 -13.813 -6.661 1.00 0.39 O ATOM 861 CB THR A 435 1.822 -10.577 -7.573 1.00 0.45 C ATOM 862 OG1 THR A 435 1.115 -9.524 -8.214 1.00 0.52 O ATOM 863 CG2 THR A 435 2.960 -11.056 -8.476 1.00 0.55 C ATOM 0 H THR A 435 -0.235 -10.138 -6.406 1.00 0.34 H new ATOM 0 HA THR A 435 0.637 -12.300 -8.203 1.00 0.37 H new ATOM 0 HB THR A 435 2.237 -10.215 -6.632 1.00 0.45 H new ATOM 0 HG1 THR A 435 0.954 -8.800 -7.573 1.00 0.52 H new ATOM 0 HG21 THR A 435 3.642 -10.228 -8.672 1.00 0.55 H new ATOM 0 HG22 THR A 435 3.501 -11.863 -7.982 1.00 0.55 H new ATOM 0 HG23 THR A 435 2.549 -11.418 -9.418 1.00 0.55 H new ATOM 871 N THR A 436 1.567 -12.348 -5.056 1.00 0.33 N ATOM 872 CA THR A 436 2.157 -13.268 -4.041 1.00 0.36 C ATOM 873 C THR A 436 1.369 -14.578 -4.004 1.00 0.36 C ATOM 874 O THR A 436 1.882 -15.632 -4.325 1.00 0.40 O ATOM 875 CB THR A 436 2.035 -12.526 -2.710 1.00 0.38 C ATOM 876 OG1 THR A 436 2.800 -11.330 -2.764 1.00 0.39 O ATOM 877 CG2 THR A 436 2.554 -13.415 -1.580 1.00 0.49 C ATOM 0 H THR A 436 1.253 -11.447 -4.696 1.00 0.33 H new ATOM 0 HA THR A 436 3.192 -13.525 -4.265 1.00 0.36 H new ATOM 0 HB THR A 436 0.989 -12.280 -2.525 1.00 0.38 H new ATOM 0 HG1 THR A 436 2.198 -10.559 -2.821 1.00 0.39 H new ATOM 0 HG21 THR A 436 2.467 -12.886 -0.631 1.00 0.49 H new ATOM 0 HG22 THR A 436 1.966 -14.332 -1.539 1.00 0.49 H new ATOM 0 HG23 THR A 436 3.600 -13.662 -1.763 1.00 0.49 H new ATOM 885 N ALA A 437 0.121 -14.521 -3.621 1.00 0.34 N ATOM 886 CA ALA A 437 -0.699 -15.766 -3.574 1.00 0.36 C ATOM 887 C ALA A 437 -0.629 -16.485 -4.921 1.00 0.36 C ATOM 888 O ALA A 437 -0.485 -17.691 -4.984 1.00 0.41 O ATOM 889 CB ALA A 437 -2.126 -15.294 -3.290 1.00 0.35 C ATOM 0 H ALA A 437 -0.364 -13.669 -3.340 1.00 0.34 H new ATOM 0 HA ALA A 437 -0.348 -16.467 -2.817 1.00 0.36 H new ATOM 0 HB1 ALA A 437 -2.791 -16.156 -3.241 1.00 0.35 H new ATOM 0 HB2 ALA A 437 -2.151 -14.762 -2.339 1.00 0.35 H new ATOM 0 HB3 ALA A 437 -2.454 -14.628 -4.088 1.00 0.35 H new ATOM 895 N LEU A 438 -0.716 -15.758 -6.004 1.00 0.34 N ATOM 896 CA LEU A 438 -0.639 -16.418 -7.334 1.00 0.36 C ATOM 897 C LEU A 438 0.688 -17.169 -7.449 1.00 0.42 C ATOM 898 O LEU A 438 0.754 -18.247 -8.002 1.00 0.46 O ATOM 899 CB LEU A 438 -0.718 -15.289 -8.369 1.00 0.36 C ATOM 900 CG LEU A 438 -0.422 -15.850 -9.767 1.00 0.41 C ATOM 901 CD1 LEU A 438 -1.361 -17.020 -10.070 1.00 0.42 C ATOM 902 CD2 LEU A 438 -0.631 -14.756 -10.816 1.00 0.45 C ATOM 0 H LEU A 438 -0.836 -14.745 -6.023 1.00 0.34 H new ATOM 0 HA LEU A 438 -1.441 -17.141 -7.486 1.00 0.36 H new ATOM 0 HB2 LEU A 438 -1.708 -14.834 -8.351 1.00 0.36 H new ATOM 0 HB3 LEU A 438 -0.002 -14.505 -8.122 1.00 0.36 H new ATOM 0 HG LEU A 438 0.611 -16.196 -9.797 1.00 0.41 H new ATOM 0 HD11 LEU A 438 -1.145 -17.412 -11.064 1.00 0.42 H new ATOM 0 HD12 LEU A 438 -1.214 -17.806 -9.329 1.00 0.42 H new ATOM 0 HD13 LEU A 438 -2.395 -16.676 -10.033 1.00 0.42 H new ATOM 0 HD21 LEU A 438 -0.420 -15.157 -11.807 1.00 0.45 H new ATOM 0 HD22 LEU A 438 -1.663 -14.408 -10.778 1.00 0.45 H new ATOM 0 HD23 LEU A 438 0.041 -13.923 -10.611 1.00 0.45 H new ATOM 914 N ARG A 439 1.748 -16.613 -6.921 1.00 0.43 N ATOM 915 CA ARG A 439 3.063 -17.313 -6.998 1.00 0.51 C ATOM 916 C ARG A 439 2.904 -18.746 -6.487 1.00 0.54 C ATOM 917 O ARG A 439 3.452 -19.680 -7.037 1.00 0.61 O ATOM 918 CB ARG A 439 4.000 -16.513 -6.092 1.00 0.52 C ATOM 919 CG ARG A 439 5.445 -16.950 -6.344 1.00 0.77 C ATOM 920 CD ARG A 439 6.356 -16.347 -5.272 1.00 1.28 C ATOM 921 NE ARG A 439 7.643 -17.086 -5.406 1.00 1.74 N ATOM 922 CZ ARG A 439 8.441 -16.829 -6.405 1.00 2.28 C ATOM 923 NH1 ARG A 439 9.255 -15.812 -6.345 1.00 2.89 N ATOM 924 NH2 ARG A 439 8.426 -17.591 -7.465 1.00 2.82 N ATOM 0 H ARG A 439 1.760 -15.712 -6.444 1.00 0.43 H new ATOM 0 HA ARG A 439 3.451 -17.371 -8.015 1.00 0.51 H new ATOM 0 HB2 ARG A 439 3.891 -15.446 -6.289 1.00 0.52 H new ATOM 0 HB3 ARG A 439 3.737 -16.673 -5.046 1.00 0.52 H new ATOM 0 HG2 ARG A 439 5.515 -18.038 -6.326 1.00 0.77 H new ATOM 0 HG3 ARG A 439 5.767 -16.626 -7.334 1.00 0.77 H new ATOM 0 HD2 ARG A 439 6.496 -15.277 -5.428 1.00 1.28 H new ATOM 0 HD3 ARG A 439 5.931 -16.471 -4.276 1.00 1.28 H new ATOM 0 HE ARG A 439 7.900 -17.793 -4.717 1.00 1.74 H new ATOM 0 HH11 ARG A 439 9.268 -15.217 -5.517 1.00 2.89 H new ATOM 0 HH12 ARG A 439 9.879 -15.611 -7.127 1.00 2.89 H new ATOM 0 HH21 ARG A 439 7.790 -18.387 -7.512 1.00 2.82 H new ATOM 0 HH22 ARG A 439 9.050 -17.390 -8.246 1.00 2.82 H new ATOM 938 N HIS A 440 2.128 -18.925 -5.451 1.00 0.52 N ATOM 939 CA HIS A 440 1.900 -20.297 -4.925 1.00 0.57 C ATOM 940 C HIS A 440 1.242 -21.138 -6.019 1.00 0.58 C ATOM 941 O HIS A 440 1.415 -22.338 -6.094 1.00 0.64 O ATOM 942 CB HIS A 440 0.955 -20.112 -3.736 1.00 0.56 C ATOM 943 CG HIS A 440 0.673 -21.449 -3.109 1.00 0.63 C ATOM 944 ND1 HIS A 440 -0.501 -22.071 -2.764 1.00 1.04 N flip ATOM 945 CD2 HIS A 440 1.685 -22.330 -2.759 1.00 0.82 C flip ATOM 946 CE1 HIS A 440 -0.226 -23.318 -2.210 1.00 0.96 C flip ATOM 947 NE2 HIS A 440 1.105 -23.423 -2.231 1.00 0.75 N flip ATOM 0 H HIS A 440 1.644 -18.180 -4.949 1.00 0.52 H new ATOM 0 HA HIS A 440 2.818 -20.803 -4.625 1.00 0.57 H new ATOM 0 HB2 HIS A 440 1.403 -19.441 -3.003 1.00 0.56 H new ATOM 0 HB3 HIS A 440 0.025 -19.649 -4.065 1.00 0.56 H new ATOM 0 HD2 HIS A 440 2.745 -22.168 -2.887 1.00 0.82 H new ATOM 0 HE1 HIS A 440 -0.936 -24.044 -1.842 1.00 0.96 H new ATOM 0 HE2 HIS A 440 1.620 -24.234 -1.888 1.00 0.75 H new ATOM 955 N THR A 441 0.496 -20.496 -6.879 1.00 0.54 N ATOM 956 CA THR A 441 -0.176 -21.219 -7.995 1.00 0.55 C ATOM 957 C THR A 441 0.098 -20.475 -9.305 1.00 0.56 C ATOM 958 O THR A 441 -0.807 -20.165 -10.054 1.00 0.55 O ATOM 959 CB THR A 441 -1.671 -21.182 -7.662 1.00 0.53 C ATOM 960 OG1 THR A 441 -2.141 -19.845 -7.762 1.00 0.48 O ATOM 961 CG2 THR A 441 -1.904 -21.701 -6.242 1.00 0.54 C ATOM 0 H THR A 441 0.323 -19.491 -6.854 1.00 0.54 H new ATOM 0 HA THR A 441 0.180 -22.243 -8.109 1.00 0.55 H new ATOM 0 HB THR A 441 -2.212 -21.816 -8.365 1.00 0.53 H new ATOM 0 HG1 THR A 441 -2.162 -19.575 -8.704 1.00 0.48 H new ATOM 0 HG21 THR A 441 -2.969 -21.671 -6.014 1.00 0.54 H new ATOM 0 HG22 THR A 441 -1.545 -22.728 -6.166 1.00 0.54 H new ATOM 0 HG23 THR A 441 -1.363 -21.075 -5.532 1.00 0.54 H new ATOM 969 N GLN A 442 1.347 -20.169 -9.566 1.00 0.59 N ATOM 970 CA GLN A 442 1.720 -19.420 -10.808 1.00 0.62 C ATOM 971 C GLN A 442 0.926 -19.911 -12.024 1.00 0.64 C ATOM 972 O GLN A 442 0.918 -21.083 -12.346 1.00 0.69 O ATOM 973 CB GLN A 442 3.211 -19.702 -10.999 1.00 0.69 C ATOM 974 CG GLN A 442 3.882 -18.484 -11.637 1.00 1.43 C ATOM 975 CD GLN A 442 5.386 -18.735 -11.759 1.00 1.79 C ATOM 976 OE1 GLN A 442 6.184 -17.968 -11.256 1.00 2.16 O ATOM 977 NE2 GLN A 442 5.810 -19.785 -12.408 1.00 2.47 N ATOM 0 H GLN A 442 2.134 -20.410 -8.963 1.00 0.59 H new ATOM 0 HA GLN A 442 1.500 -18.357 -10.714 1.00 0.62 H new ATOM 0 HB2 GLN A 442 3.676 -19.925 -10.039 1.00 0.69 H new ATOM 0 HB3 GLN A 442 3.348 -20.579 -11.631 1.00 0.69 H new ATOM 0 HG2 GLN A 442 3.453 -18.293 -12.621 1.00 1.43 H new ATOM 0 HG3 GLN A 442 3.699 -17.596 -11.032 1.00 1.43 H new ATOM 0 HE21 GLN A 442 5.140 -20.428 -12.830 1.00 2.47 H new ATOM 0 HE22 GLN A 442 6.811 -19.962 -12.493 1.00 2.47 H new ATOM 986 N GLY A 443 0.258 -19.015 -12.699 1.00 0.63 N ATOM 987 CA GLY A 443 -0.537 -19.414 -13.893 1.00 0.66 C ATOM 988 C GLY A 443 -1.988 -19.664 -13.481 1.00 0.64 C ATOM 989 O GLY A 443 -2.910 -19.144 -14.077 1.00 0.66 O ATOM 0 H GLY A 443 0.229 -18.021 -12.473 1.00 0.63 H new ATOM 0 HA2 GLY A 443 -0.493 -18.631 -14.650 1.00 0.66 H new ATOM 0 HA3 GLY A 443 -0.115 -20.314 -14.340 1.00 0.66 H new ATOM 993 N HIS A 444 -2.198 -20.456 -12.466 1.00 0.62 N ATOM 994 CA HIS A 444 -3.592 -20.736 -12.018 1.00 0.62 C ATOM 995 C HIS A 444 -4.159 -19.529 -11.265 1.00 0.67 C ATOM 996 O HIS A 444 -4.392 -19.583 -10.074 1.00 1.34 O ATOM 997 CB HIS A 444 -3.474 -21.943 -11.087 1.00 0.63 C ATOM 998 CG HIS A 444 -3.942 -23.178 -11.809 1.00 0.95 C ATOM 999 ND1 HIS A 444 -3.242 -24.373 -11.760 1.00 1.52 N ATOM 1000 CD2 HIS A 444 -5.037 -23.417 -12.601 1.00 1.62 C ATOM 1001 CE1 HIS A 444 -3.918 -25.269 -12.502 1.00 1.77 C ATOM 1002 NE2 HIS A 444 -5.020 -24.738 -13.038 1.00 1.86 N ATOM 0 H HIS A 444 -1.467 -20.921 -11.928 1.00 0.62 H new ATOM 0 HA HIS A 444 -4.263 -20.931 -12.854 1.00 0.62 H new ATOM 0 HB2 HIS A 444 -2.441 -22.067 -10.763 1.00 0.63 H new ATOM 0 HB3 HIS A 444 -4.072 -21.784 -10.190 1.00 0.63 H new ATOM 0 HD2 HIS A 444 -5.797 -22.690 -12.848 1.00 1.62 H new ATOM 0 HE1 HIS A 444 -3.607 -26.293 -12.647 1.00 1.77 H new ATOM 0 HE2 HIS A 444 -5.702 -25.201 -13.638 1.00 1.86 H new ATOM 1010 N LYS A 445 -4.385 -18.442 -11.952 1.00 0.62 N ATOM 1011 CA LYS A 445 -4.940 -17.232 -11.277 1.00 0.51 C ATOM 1012 C LYS A 445 -6.201 -17.599 -10.489 1.00 0.51 C ATOM 1013 O LYS A 445 -6.565 -16.939 -9.537 1.00 0.57 O ATOM 1014 CB LYS A 445 -5.280 -16.267 -12.413 1.00 0.62 C ATOM 1015 CG LYS A 445 -5.382 -14.844 -11.861 1.00 1.31 C ATOM 1016 CD LYS A 445 -6.448 -14.069 -12.635 1.00 1.56 C ATOM 1017 CE LYS A 445 -5.919 -12.675 -12.979 1.00 2.23 C ATOM 1018 NZ LYS A 445 -5.539 -12.752 -14.417 1.00 2.52 N ATOM 0 H LYS A 445 -4.210 -18.339 -12.951 1.00 0.62 H new ATOM 0 HA LYS A 445 -4.237 -16.795 -10.567 1.00 0.51 H new ATOM 0 HB2 LYS A 445 -4.513 -16.314 -13.186 1.00 0.62 H new ATOM 0 HB3 LYS A 445 -6.222 -16.556 -12.880 1.00 0.62 H new ATOM 0 HG2 LYS A 445 -5.636 -14.872 -10.801 1.00 1.31 H new ATOM 0 HG3 LYS A 445 -4.419 -14.341 -11.945 1.00 1.31 H new ATOM 0 HD2 LYS A 445 -6.711 -14.605 -13.547 1.00 1.56 H new ATOM 0 HD3 LYS A 445 -7.357 -13.987 -12.039 1.00 1.56 H new ATOM 0 HE2 LYS A 445 -6.679 -11.912 -12.812 1.00 2.23 H new ATOM 0 HE3 LYS A 445 -5.062 -12.413 -12.358 1.00 2.23 H new ATOM 0 HZ1 LYS A 445 -5.166 -11.832 -14.727 1.00 2.52 H new ATOM 0 HZ2 LYS A 445 -4.809 -13.482 -14.545 1.00 2.52 H new ATOM 0 HZ3 LYS A 445 -6.376 -12.996 -14.985 1.00 2.52 H new ATOM 1032 N GLN A 446 -6.869 -18.651 -10.880 1.00 0.53 N ATOM 1033 CA GLN A 446 -8.104 -19.064 -10.154 1.00 0.56 C ATOM 1034 C GLN A 446 -7.746 -19.578 -8.757 1.00 0.52 C ATOM 1035 O GLN A 446 -8.398 -19.261 -7.782 1.00 0.51 O ATOM 1036 CB GLN A 446 -8.706 -20.186 -11.000 1.00 0.64 C ATOM 1037 CG GLN A 446 -10.030 -20.639 -10.380 1.00 1.11 C ATOM 1038 CD GLN A 446 -10.438 -21.988 -10.972 1.00 1.79 C ATOM 1039 OE1 GLN A 446 -9.776 -22.984 -10.758 1.00 2.45 O ATOM 1040 NE2 GLN A 446 -11.509 -22.064 -11.715 1.00 2.40 N ATOM 0 H GLN A 446 -6.613 -19.242 -11.671 1.00 0.53 H new ATOM 0 HA GLN A 446 -8.801 -18.237 -10.021 1.00 0.56 H new ATOM 0 HB2 GLN A 446 -8.870 -19.839 -12.020 1.00 0.64 H new ATOM 0 HB3 GLN A 446 -8.013 -21.025 -11.057 1.00 0.64 H new ATOM 0 HG2 GLN A 446 -9.927 -20.721 -9.298 1.00 1.11 H new ATOM 0 HG3 GLN A 446 -10.805 -19.897 -10.571 1.00 1.11 H new ATOM 0 HE21 GLN A 446 -12.065 -21.228 -11.895 1.00 2.40 H new ATOM 0 HE22 GLN A 446 -11.789 -22.959 -12.115 1.00 2.40 H new ATOM 1049 N GLU A 447 -6.711 -20.368 -8.652 1.00 0.52 N ATOM 1050 CA GLU A 447 -6.311 -20.900 -7.316 1.00 0.51 C ATOM 1051 C GLU A 447 -6.156 -19.750 -6.318 1.00 0.45 C ATOM 1052 O GLU A 447 -6.525 -19.860 -5.165 1.00 0.45 O ATOM 1053 CB GLU A 447 -4.969 -21.592 -7.552 1.00 0.53 C ATOM 1054 CG GLU A 447 -5.209 -23.035 -8.002 1.00 0.80 C ATOM 1055 CD GLU A 447 -5.309 -23.943 -6.776 1.00 1.32 C ATOM 1056 OE1 GLU A 447 -5.793 -23.478 -5.757 1.00 1.96 O ATOM 1057 OE2 GLU A 447 -4.901 -25.089 -6.876 1.00 2.14 O ATOM 0 H GLU A 447 -6.126 -20.668 -9.432 1.00 0.52 H new ATOM 0 HA GLU A 447 -7.053 -21.583 -6.902 1.00 0.51 H new ATOM 0 HB2 GLU A 447 -4.399 -21.054 -8.309 1.00 0.53 H new ATOM 0 HB3 GLU A 447 -4.376 -21.579 -6.638 1.00 0.53 H new ATOM 0 HG2 GLU A 447 -6.126 -23.096 -8.589 1.00 0.80 H new ATOM 0 HG3 GLU A 447 -4.395 -23.366 -8.647 1.00 0.80 H new ATOM 1064 N ALA A 448 -5.617 -18.644 -6.753 1.00 0.42 N ATOM 1065 CA ALA A 448 -5.444 -17.487 -5.829 1.00 0.39 C ATOM 1066 C ALA A 448 -6.788 -17.115 -5.198 1.00 0.40 C ATOM 1067 O ALA A 448 -6.845 -16.493 -4.155 1.00 0.40 O ATOM 1068 CB ALA A 448 -4.931 -16.348 -6.710 1.00 0.39 C ATOM 0 H ALA A 448 -5.289 -18.491 -7.707 1.00 0.42 H new ATOM 0 HA ALA A 448 -4.757 -17.708 -5.012 1.00 0.39 H new ATOM 0 HB1 ALA A 448 -4.778 -15.457 -6.101 1.00 0.39 H new ATOM 0 HB2 ALA A 448 -3.986 -16.640 -7.169 1.00 0.39 H new ATOM 0 HB3 ALA A 448 -5.662 -16.133 -7.490 1.00 0.39 H new ATOM 1074 N ALA A 449 -7.873 -17.489 -5.822 1.00 0.44 N ATOM 1075 CA ALA A 449 -9.212 -17.158 -5.257 1.00 0.47 C ATOM 1076 C ALA A 449 -9.318 -17.670 -3.819 1.00 0.48 C ATOM 1077 O ALA A 449 -9.434 -16.905 -2.883 1.00 0.49 O ATOM 1078 CB ALA A 449 -10.214 -17.879 -6.158 1.00 0.52 C ATOM 0 H ALA A 449 -7.889 -18.010 -6.699 1.00 0.44 H new ATOM 0 HA ALA A 449 -9.393 -16.084 -5.227 1.00 0.47 H new ATOM 0 HB1 ALA A 449 -11.227 -17.683 -5.805 1.00 0.52 H new ATOM 0 HB2 ALA A 449 -10.110 -17.517 -7.181 1.00 0.52 H new ATOM 0 HB3 ALA A 449 -10.021 -18.952 -6.131 1.00 0.52 H new ATOM 1084 N ARG A 450 -9.276 -18.962 -3.635 1.00 0.49 N ATOM 1085 CA ARG A 450 -9.371 -19.522 -2.258 1.00 0.52 C ATOM 1086 C ARG A 450 -8.210 -19.010 -1.403 1.00 0.49 C ATOM 1087 O ARG A 450 -8.364 -18.734 -0.230 1.00 0.50 O ATOM 1088 CB ARG A 450 -9.277 -21.038 -2.441 1.00 0.56 C ATOM 1089 CG ARG A 450 -10.095 -21.737 -1.353 1.00 0.78 C ATOM 1090 CD ARG A 450 -10.900 -22.881 -1.976 1.00 1.37 C ATOM 1091 NE ARG A 450 -11.285 -23.749 -0.829 1.00 1.77 N ATOM 1092 CZ ARG A 450 -12.225 -24.642 -0.974 1.00 2.35 C ATOM 1093 NH1 ARG A 450 -12.229 -25.422 -2.019 1.00 2.97 N ATOM 1094 NH2 ARG A 450 -13.163 -24.754 -0.073 1.00 2.93 N ATOM 0 H ARG A 450 -9.180 -19.653 -4.379 1.00 0.49 H new ATOM 0 HA ARG A 450 -10.292 -19.230 -1.753 1.00 0.52 H new ATOM 0 HB2 ARG A 450 -9.648 -21.319 -3.427 1.00 0.56 H new ATOM 0 HB3 ARG A 450 -8.236 -21.357 -2.389 1.00 0.56 H new ATOM 0 HG2 ARG A 450 -9.434 -22.124 -0.578 1.00 0.78 H new ATOM 0 HG3 ARG A 450 -10.766 -21.025 -0.873 1.00 0.78 H new ATOM 0 HD2 ARG A 450 -11.779 -22.506 -2.500 1.00 1.37 H new ATOM 0 HD3 ARG A 450 -10.305 -23.431 -2.705 1.00 1.37 H new ATOM 0 HE ARG A 450 -10.814 -23.645 0.070 1.00 1.77 H new ATOM 0 HH11 ARG A 450 -11.497 -25.334 -2.724 1.00 2.97 H new ATOM 0 HH12 ARG A 450 -12.964 -26.120 -2.132 1.00 2.97 H new ATOM 0 HH21 ARG A 450 -13.161 -24.143 0.744 1.00 2.93 H new ATOM 0 HH22 ARG A 450 -13.898 -25.452 -0.186 1.00 2.93 H new ATOM 1108 N LEU A 451 -7.051 -18.876 -1.985 1.00 0.47 N ATOM 1109 CA LEU A 451 -5.879 -18.378 -1.209 1.00 0.47 C ATOM 1110 C LEU A 451 -6.206 -17.021 -0.580 1.00 0.44 C ATOM 1111 O LEU A 451 -5.667 -16.654 0.445 1.00 0.48 O ATOM 1112 CB LEU A 451 -4.756 -18.240 -2.236 1.00 0.46 C ATOM 1113 CG LEU A 451 -3.909 -19.514 -2.239 1.00 0.53 C ATOM 1114 CD1 LEU A 451 -3.500 -19.852 -3.673 1.00 0.92 C ATOM 1115 CD2 LEU A 451 -2.654 -19.292 -1.391 1.00 1.04 C ATOM 0 H LEU A 451 -6.864 -19.090 -2.965 1.00 0.47 H new ATOM 0 HA LEU A 451 -5.603 -19.048 -0.394 1.00 0.47 H new ATOM 0 HB2 LEU A 451 -5.175 -18.066 -3.227 1.00 0.46 H new ATOM 0 HB3 LEU A 451 -4.134 -17.377 -1.997 1.00 0.46 H new ATOM 0 HG LEU A 451 -4.490 -20.337 -1.823 1.00 0.53 H new ATOM 0 HD11 LEU A 451 -2.897 -20.760 -3.675 1.00 0.92 H new ATOM 0 HD12 LEU A 451 -4.393 -20.008 -4.279 1.00 0.92 H new ATOM 0 HD13 LEU A 451 -2.919 -19.029 -4.089 1.00 0.92 H new ATOM 0 HD21 LEU A 451 -2.049 -20.199 -1.392 1.00 1.04 H new ATOM 0 HD22 LEU A 451 -2.074 -18.469 -1.808 1.00 1.04 H new ATOM 0 HD23 LEU A 451 -2.944 -19.050 -0.368 1.00 1.04 H new ATOM 1127 N LEU A 452 -7.087 -16.273 -1.188 1.00 0.42 N ATOM 1128 CA LEU A 452 -7.450 -14.940 -0.624 1.00 0.41 C ATOM 1129 C LEU A 452 -8.911 -14.936 -0.161 1.00 0.46 C ATOM 1130 O LEU A 452 -9.485 -13.896 0.094 1.00 0.51 O ATOM 1131 CB LEU A 452 -7.258 -13.952 -1.777 1.00 0.37 C ATOM 1132 CG LEU A 452 -5.821 -14.035 -2.299 1.00 0.35 C ATOM 1133 CD1 LEU A 452 -5.817 -13.812 -3.812 1.00 0.31 C ATOM 1134 CD2 LEU A 452 -4.972 -12.956 -1.624 1.00 0.43 C ATOM 0 H LEU A 452 -7.571 -16.526 -2.050 1.00 0.42 H new ATOM 0 HA LEU A 452 -6.840 -14.684 0.242 1.00 0.41 H new ATOM 0 HB2 LEU A 452 -7.960 -14.176 -2.580 1.00 0.37 H new ATOM 0 HB3 LEU A 452 -7.474 -12.938 -1.439 1.00 0.37 H new ATOM 0 HG LEU A 452 -5.407 -15.018 -2.074 1.00 0.35 H new ATOM 0 HD11 LEU A 452 -4.795 -13.871 -4.186 1.00 0.31 H new ATOM 0 HD12 LEU A 452 -6.424 -14.578 -4.294 1.00 0.31 H new ATOM 0 HD13 LEU A 452 -6.229 -12.828 -4.036 1.00 0.31 H new ATOM 0 HD21 LEU A 452 -3.949 -13.014 -1.994 1.00 0.43 H new ATOM 0 HD22 LEU A 452 -5.385 -11.973 -1.851 1.00 0.43 H new ATOM 0 HD23 LEU A 452 -4.977 -13.111 -0.545 1.00 0.43 H new ATOM 1146 N GLY A 453 -9.522 -16.087 -0.051 1.00 0.50 N ATOM 1147 CA GLY A 453 -10.945 -16.138 0.392 1.00 0.56 C ATOM 1148 C GLY A 453 -11.790 -15.241 -0.513 1.00 0.58 C ATOM 1149 O GLY A 453 -12.608 -14.468 -0.053 1.00 0.68 O ATOM 0 H GLY A 453 -9.097 -16.993 -0.249 1.00 0.50 H new ATOM 0 HA2 GLY A 453 -11.313 -17.163 0.353 1.00 0.56 H new ATOM 0 HA3 GLY A 453 -11.027 -15.809 1.428 1.00 0.56 H new ATOM 1153 N TRP A 454 -11.594 -15.336 -1.796 1.00 0.54 N ATOM 1154 CA TRP A 454 -12.376 -14.487 -2.740 1.00 0.60 C ATOM 1155 C TRP A 454 -13.317 -15.351 -3.584 1.00 0.68 C ATOM 1156 O TRP A 454 -14.507 -15.413 -3.344 1.00 1.16 O ATOM 1157 CB TRP A 454 -11.324 -13.828 -3.636 1.00 0.53 C ATOM 1158 CG TRP A 454 -10.849 -12.543 -3.028 1.00 0.53 C ATOM 1159 CD1 TRP A 454 -10.931 -12.212 -1.714 1.00 0.58 C ATOM 1160 CD2 TRP A 454 -10.213 -11.413 -3.693 1.00 0.50 C ATOM 1161 NE1 TRP A 454 -10.388 -10.952 -1.531 1.00 0.58 N ATOM 1162 CE2 TRP A 454 -9.930 -10.415 -2.716 1.00 0.52 C ATOM 1163 CE3 TRP A 454 -9.855 -11.155 -5.042 1.00 0.51 C ATOM 1164 CZ2 TRP A 454 -9.311 -9.200 -3.065 1.00 0.52 C ATOM 1165 CZ3 TRP A 454 -9.231 -9.934 -5.397 1.00 0.53 C ATOM 1166 CH2 TRP A 454 -8.961 -8.959 -4.409 1.00 0.52 C ATOM 0 H TRP A 454 -10.924 -15.967 -2.236 1.00 0.54 H new ATOM 0 HA TRP A 454 -12.995 -13.758 -2.218 1.00 0.60 H new ATOM 0 HB2 TRP A 454 -10.481 -14.505 -3.776 1.00 0.53 H new ATOM 0 HB3 TRP A 454 -11.746 -13.637 -4.623 1.00 0.53 H new ATOM 0 HD1 TRP A 454 -11.352 -12.832 -0.936 1.00 0.58 H new ATOM 0 HE1 TRP A 454 -10.333 -10.478 -0.629 1.00 0.58 H new ATOM 0 HE3 TRP A 454 -10.060 -11.894 -5.802 1.00 0.51 H new ATOM 0 HZ2 TRP A 454 -9.106 -8.457 -2.308 1.00 0.52 H new ATOM 0 HZ3 TRP A 454 -8.961 -9.747 -6.426 1.00 0.53 H new ATOM 0 HH2 TRP A 454 -8.486 -8.029 -4.684 1.00 0.52 H new ATOM 1177 N GLY A 455 -12.788 -16.010 -4.577 1.00 0.72 N ATOM 1178 CA GLY A 455 -13.639 -16.862 -5.455 1.00 0.72 C ATOM 1179 C GLY A 455 -13.347 -16.510 -6.913 1.00 0.70 C ATOM 1180 O GLY A 455 -12.368 -15.863 -7.212 1.00 0.64 O ATOM 0 H GLY A 455 -11.797 -15.995 -4.820 1.00 0.72 H new ATOM 0 HA2 GLY A 455 -13.433 -17.917 -5.273 1.00 0.72 H new ATOM 0 HA3 GLY A 455 -14.693 -16.700 -5.231 1.00 0.72 H new ATOM 1184 N ALA A 456 -14.184 -16.922 -7.824 1.00 0.77 N ATOM 1185 CA ALA A 456 -13.934 -16.592 -9.257 1.00 0.77 C ATOM 1186 C ALA A 456 -14.611 -15.266 -9.615 1.00 0.82 C ATOM 1187 O ALA A 456 -14.209 -14.582 -10.535 1.00 0.83 O ATOM 1188 CB ALA A 456 -14.551 -17.745 -10.047 1.00 0.84 C ATOM 0 H ALA A 456 -15.025 -17.469 -7.641 1.00 0.77 H new ATOM 0 HA ALA A 456 -12.873 -16.477 -9.477 1.00 0.77 H new ATOM 0 HB1 ALA A 456 -14.407 -17.573 -11.114 1.00 0.84 H new ATOM 0 HB2 ALA A 456 -14.070 -18.680 -9.762 1.00 0.84 H new ATOM 0 HB3 ALA A 456 -15.618 -17.805 -9.830 1.00 0.84 H new ATOM 1194 N ALA A 457 -15.633 -14.897 -8.893 1.00 0.90 N ATOM 1195 CA ALA A 457 -16.332 -13.614 -9.191 1.00 0.97 C ATOM 1196 C ALA A 457 -15.508 -12.435 -8.666 1.00 0.89 C ATOM 1197 O ALA A 457 -15.336 -11.437 -9.337 1.00 0.91 O ATOM 1198 CB ALA A 457 -17.667 -13.708 -8.451 1.00 1.08 C ATOM 0 H ALA A 457 -16.015 -15.428 -8.110 1.00 0.90 H new ATOM 0 HA ALA A 457 -16.472 -13.456 -10.260 1.00 0.97 H new ATOM 0 HB1 ALA A 457 -18.242 -12.798 -8.621 1.00 1.08 H new ATOM 0 HB2 ALA A 457 -18.228 -14.566 -8.820 1.00 1.08 H new ATOM 0 HB3 ALA A 457 -17.484 -13.827 -7.383 1.00 1.08 H new ATOM 1204 N THR A 458 -14.996 -12.546 -7.470 1.00 0.84 N ATOM 1205 CA THR A 458 -14.181 -11.434 -6.902 1.00 0.77 C ATOM 1206 C THR A 458 -12.860 -11.305 -7.667 1.00 0.68 C ATOM 1207 O THR A 458 -12.534 -10.258 -8.191 1.00 0.67 O ATOM 1208 CB THR A 458 -13.923 -11.835 -5.448 1.00 0.76 C ATOM 1209 OG1 THR A 458 -15.154 -12.182 -4.830 1.00 0.85 O ATOM 1210 CG2 THR A 458 -13.283 -10.667 -4.698 1.00 0.72 C ATOM 0 H THR A 458 -15.107 -13.358 -6.862 1.00 0.84 H new ATOM 0 HA THR A 458 -14.686 -10.471 -6.975 1.00 0.77 H new ATOM 0 HB THR A 458 -13.248 -12.691 -5.421 1.00 0.76 H new ATOM 0 HG1 THR A 458 -14.991 -12.441 -3.899 1.00 0.85 H new ATOM 0 HG21 THR A 458 -13.100 -10.956 -3.663 1.00 0.72 H new ATOM 0 HG22 THR A 458 -12.338 -10.403 -5.173 1.00 0.72 H new ATOM 0 HG23 THR A 458 -13.953 -9.808 -4.722 1.00 0.72 H new ATOM 1218 N LEU A 459 -12.100 -12.364 -7.736 1.00 0.64 N ATOM 1219 CA LEU A 459 -10.800 -12.309 -8.470 1.00 0.57 C ATOM 1220 C LEU A 459 -11.006 -11.725 -9.871 1.00 0.60 C ATOM 1221 O LEU A 459 -10.132 -11.086 -10.423 1.00 0.58 O ATOM 1222 CB LEU A 459 -10.337 -13.765 -8.557 1.00 0.56 C ATOM 1223 CG LEU A 459 -8.945 -13.896 -7.936 1.00 0.47 C ATOM 1224 CD1 LEU A 459 -8.712 -15.341 -7.500 1.00 0.48 C ATOM 1225 CD2 LEU A 459 -7.885 -13.505 -8.966 1.00 0.46 C ATOM 0 H LEU A 459 -12.322 -13.267 -7.316 1.00 0.64 H new ATOM 0 HA LEU A 459 -10.068 -11.676 -7.969 1.00 0.57 H new ATOM 0 HB2 LEU A 459 -11.042 -14.413 -8.036 1.00 0.56 H new ATOM 0 HB3 LEU A 459 -10.315 -14.089 -9.597 1.00 0.56 H new ATOM 0 HG LEU A 459 -8.875 -13.237 -7.071 1.00 0.47 H new ATOM 0 HD11 LEU A 459 -7.720 -15.432 -7.058 1.00 0.48 H new ATOM 0 HD12 LEU A 459 -9.465 -15.625 -6.764 1.00 0.48 H new ATOM 0 HD13 LEU A 459 -8.785 -15.999 -8.366 1.00 0.48 H new ATOM 0 HD21 LEU A 459 -6.894 -13.599 -8.522 1.00 0.46 H new ATOM 0 HD22 LEU A 459 -7.959 -14.163 -9.832 1.00 0.46 H new ATOM 0 HD23 LEU A 459 -8.046 -12.474 -9.280 1.00 0.46 H new ATOM 1237 N THR A 460 -12.157 -11.938 -10.448 1.00 0.68 N ATOM 1238 CA THR A 460 -12.421 -11.394 -11.810 1.00 0.74 C ATOM 1239 C THR A 460 -13.034 -9.995 -11.710 1.00 0.76 C ATOM 1240 O THR A 460 -12.582 -9.063 -12.346 1.00 0.75 O ATOM 1241 CB THR A 460 -13.413 -12.373 -12.439 1.00 0.83 C ATOM 1242 OG1 THR A 460 -12.814 -13.660 -12.527 1.00 0.82 O ATOM 1243 CG2 THR A 460 -13.795 -11.889 -13.838 1.00 0.92 C ATOM 0 H THR A 460 -12.926 -12.465 -10.035 1.00 0.68 H new ATOM 0 HA THR A 460 -11.511 -11.299 -12.403 1.00 0.74 H new ATOM 0 HB THR A 460 -14.309 -12.430 -11.821 1.00 0.83 H new ATOM 0 HG1 THR A 460 -13.343 -14.303 -12.011 1.00 0.82 H new ATOM 0 HG21 THR A 460 -14.502 -12.588 -14.284 1.00 0.92 H new ATOM 0 HG22 THR A 460 -14.254 -10.903 -13.769 1.00 0.92 H new ATOM 0 HG23 THR A 460 -12.901 -11.830 -14.459 1.00 0.92 H new ATOM 1251 N ALA A 461 -14.058 -9.840 -10.917 1.00 0.81 N ATOM 1252 CA ALA A 461 -14.696 -8.500 -10.778 1.00 0.85 C ATOM 1253 C ALA A 461 -13.705 -7.510 -10.161 1.00 0.79 C ATOM 1254 O ALA A 461 -13.763 -6.322 -10.413 1.00 0.83 O ATOM 1255 CB ALA A 461 -15.885 -8.722 -9.843 1.00 0.92 C ATOM 0 H ALA A 461 -14.481 -10.582 -10.360 1.00 0.81 H new ATOM 0 HA ALA A 461 -15.006 -8.086 -11.738 1.00 0.85 H new ATOM 0 HB1 ALA A 461 -16.409 -7.778 -9.690 1.00 0.92 H new ATOM 0 HB2 ALA A 461 -16.567 -9.447 -10.287 1.00 0.92 H new ATOM 0 HB3 ALA A 461 -15.529 -9.099 -8.884 1.00 0.92 H new ATOM 1261 N LYS A 462 -12.797 -7.989 -9.357 1.00 0.72 N ATOM 1262 CA LYS A 462 -11.802 -7.076 -8.727 1.00 0.68 C ATOM 1263 C LYS A 462 -10.787 -6.600 -9.770 1.00 0.66 C ATOM 1264 O LYS A 462 -10.186 -5.553 -9.635 1.00 0.67 O ATOM 1265 CB LYS A 462 -11.112 -7.920 -7.654 1.00 0.66 C ATOM 1266 CG LYS A 462 -10.320 -7.008 -6.716 1.00 0.99 C ATOM 1267 CD LYS A 462 -11.161 -6.695 -5.476 1.00 0.91 C ATOM 1268 CE LYS A 462 -10.493 -5.578 -4.673 1.00 1.31 C ATOM 1269 NZ LYS A 462 -11.608 -4.684 -4.257 1.00 1.39 N ATOM 0 H LYS A 462 -12.701 -8.974 -9.109 1.00 0.72 H new ATOM 0 HA LYS A 462 -12.268 -6.185 -8.307 1.00 0.68 H new ATOM 0 HB2 LYS A 462 -11.853 -8.485 -7.089 1.00 0.66 H new ATOM 0 HB3 LYS A 462 -10.446 -8.646 -8.120 1.00 0.66 H new ATOM 0 HG2 LYS A 462 -9.388 -7.491 -6.423 1.00 0.99 H new ATOM 0 HG3 LYS A 462 -10.053 -6.084 -7.230 1.00 0.99 H new ATOM 0 HD2 LYS A 462 -12.166 -6.393 -5.772 1.00 0.91 H new ATOM 0 HD3 LYS A 462 -11.265 -7.588 -4.860 1.00 0.91 H new ATOM 0 HE2 LYS A 462 -9.963 -5.976 -3.808 1.00 1.31 H new ATOM 0 HE3 LYS A 462 -9.761 -5.041 -5.276 1.00 1.31 H new ATOM 0 HZ1 LYS A 462 -11.228 -3.892 -3.700 1.00 1.39 H new ATOM 0 HZ2 LYS A 462 -12.090 -4.314 -5.101 1.00 1.39 H new ATOM 0 HZ3 LYS A 462 -12.286 -5.220 -3.678 1.00 1.39 H new ATOM 1283 N LEU A 463 -10.591 -7.363 -10.812 1.00 0.65 N ATOM 1284 CA LEU A 463 -9.615 -6.954 -11.863 1.00 0.65 C ATOM 1285 C LEU A 463 -10.103 -5.693 -12.579 1.00 0.68 C ATOM 1286 O LEU A 463 -9.325 -4.832 -12.939 1.00 0.70 O ATOM 1287 CB LEU A 463 -9.562 -8.136 -12.832 1.00 0.68 C ATOM 1288 CG LEU A 463 -8.400 -7.946 -13.807 1.00 0.81 C ATOM 1289 CD1 LEU A 463 -7.546 -9.215 -13.836 1.00 0.99 C ATOM 1290 CD2 LEU A 463 -8.950 -7.671 -15.209 1.00 0.99 C ATOM 0 H LEU A 463 -11.064 -8.251 -10.981 1.00 0.65 H new ATOM 0 HA LEU A 463 -8.634 -6.721 -11.448 1.00 0.65 H new ATOM 0 HB2 LEU A 463 -9.438 -9.067 -12.279 1.00 0.68 H new ATOM 0 HB3 LEU A 463 -10.501 -8.213 -13.380 1.00 0.68 H new ATOM 0 HG LEU A 463 -7.789 -7.103 -13.484 1.00 0.81 H new ATOM 0 HD11 LEU A 463 -6.717 -9.080 -14.531 1.00 0.99 H new ATOM 0 HD12 LEU A 463 -7.154 -9.413 -12.838 1.00 0.99 H new ATOM 0 HD13 LEU A 463 -8.157 -10.058 -14.159 1.00 0.99 H new ATOM 0 HD21 LEU A 463 -8.122 -7.535 -15.905 1.00 0.99 H new ATOM 0 HD22 LEU A 463 -9.561 -8.514 -15.532 1.00 0.99 H new ATOM 0 HD23 LEU A 463 -9.559 -6.767 -15.190 1.00 0.99 H new ATOM 1302 N LYS A 464 -11.386 -5.577 -12.789 1.00 0.72 N ATOM 1303 CA LYS A 464 -11.921 -4.369 -13.482 1.00 0.77 C ATOM 1304 C LYS A 464 -12.210 -3.261 -12.466 1.00 0.76 C ATOM 1305 O LYS A 464 -11.964 -2.097 -12.715 1.00 0.82 O ATOM 1306 CB LYS A 464 -13.215 -4.835 -14.151 1.00 0.85 C ATOM 1307 CG LYS A 464 -13.150 -4.539 -15.650 1.00 1.20 C ATOM 1308 CD LYS A 464 -14.567 -4.318 -16.189 1.00 1.62 C ATOM 1309 CE LYS A 464 -14.855 -2.818 -16.272 1.00 2.25 C ATOM 1310 NZ LYS A 464 -14.917 -2.518 -17.730 1.00 2.66 N ATOM 0 H LYS A 464 -12.086 -6.265 -12.511 1.00 0.72 H new ATOM 0 HA LYS A 464 -11.214 -3.961 -14.204 1.00 0.77 H new ATOM 0 HB2 LYS A 464 -13.358 -5.903 -13.986 1.00 0.85 H new ATOM 0 HB3 LYS A 464 -14.070 -4.327 -13.706 1.00 0.85 H new ATOM 0 HG2 LYS A 464 -12.539 -3.655 -15.831 1.00 1.20 H new ATOM 0 HG3 LYS A 464 -12.675 -5.368 -16.175 1.00 1.20 H new ATOM 0 HD2 LYS A 464 -14.667 -4.773 -17.174 1.00 1.62 H new ATOM 0 HD3 LYS A 464 -15.295 -4.803 -15.538 1.00 1.62 H new ATOM 0 HE2 LYS A 464 -15.794 -2.568 -15.777 1.00 2.25 H new ATOM 0 HE3 LYS A 464 -14.073 -2.238 -15.783 1.00 2.25 H new ATOM 0 HZ1 LYS A 464 -15.112 -1.506 -17.868 1.00 2.66 H new ATOM 0 HZ2 LYS A 464 -14.008 -2.759 -18.173 1.00 2.66 H new ATOM 0 HZ3 LYS A 464 -15.675 -3.079 -18.168 1.00 2.66 H new ATOM 1324 N GLU A 465 -12.730 -3.614 -11.322 1.00 0.73 N ATOM 1325 CA GLU A 465 -13.035 -2.580 -10.290 1.00 0.76 C ATOM 1326 C GLU A 465 -11.771 -1.785 -9.953 1.00 0.69 C ATOM 1327 O GLU A 465 -11.735 -0.577 -10.076 1.00 0.85 O ATOM 1328 CB GLU A 465 -13.515 -3.369 -9.072 1.00 0.79 C ATOM 1329 CG GLU A 465 -14.813 -2.752 -8.543 1.00 1.12 C ATOM 1330 CD GLU A 465 -15.850 -3.856 -8.323 1.00 1.42 C ATOM 1331 OE1 GLU A 465 -16.085 -4.614 -9.250 1.00 2.03 O ATOM 1332 OE2 GLU A 465 -16.391 -3.923 -7.232 1.00 1.95 O ATOM 0 H GLU A 465 -12.957 -4.572 -11.057 1.00 0.73 H new ATOM 0 HA GLU A 465 -13.781 -1.861 -10.629 1.00 0.76 H new ATOM 0 HB2 GLU A 465 -13.680 -4.412 -9.343 1.00 0.79 H new ATOM 0 HB3 GLU A 465 -12.751 -3.358 -8.294 1.00 0.79 H new ATOM 0 HG2 GLU A 465 -14.623 -2.225 -7.608 1.00 1.12 H new ATOM 0 HG3 GLU A 465 -15.194 -2.017 -9.252 1.00 1.12 H new ATOM 1339 N LEU A 466 -10.735 -2.453 -9.529 1.00 0.56 N ATOM 1340 CA LEU A 466 -9.475 -1.734 -9.184 1.00 0.59 C ATOM 1341 C LEU A 466 -9.025 -0.865 -10.363 1.00 0.70 C ATOM 1342 O LEU A 466 -8.320 0.109 -10.195 1.00 0.81 O ATOM 1343 CB LEU A 466 -8.453 -2.837 -8.907 1.00 0.56 C ATOM 1344 CG LEU A 466 -8.642 -3.360 -7.483 1.00 0.54 C ATOM 1345 CD1 LEU A 466 -7.737 -4.573 -7.258 1.00 0.62 C ATOM 1346 CD2 LEU A 466 -8.274 -2.260 -6.484 1.00 0.52 C ATOM 0 H LEU A 466 -10.705 -3.465 -9.406 1.00 0.56 H new ATOM 0 HA LEU A 466 -9.597 -1.070 -8.328 1.00 0.59 H new ATOM 0 HB2 LEU A 466 -8.575 -3.649 -9.624 1.00 0.56 H new ATOM 0 HB3 LEU A 466 -7.442 -2.451 -9.033 1.00 0.56 H new ATOM 0 HG LEU A 466 -9.682 -3.652 -7.339 1.00 0.54 H new ATOM 0 HD11 LEU A 466 -7.873 -4.945 -6.242 1.00 0.62 H new ATOM 0 HD12 LEU A 466 -7.996 -5.357 -7.969 1.00 0.62 H new ATOM 0 HD13 LEU A 466 -6.696 -4.282 -7.402 1.00 0.62 H new ATOM 0 HD21 LEU A 466 -8.408 -2.631 -5.468 1.00 0.52 H new ATOM 0 HD22 LEU A 466 -7.234 -1.969 -6.630 1.00 0.52 H new ATOM 0 HD23 LEU A 466 -8.918 -1.395 -6.642 1.00 0.52 H new ATOM 1358 N GLY A 467 -9.431 -1.211 -11.554 1.00 0.77 N ATOM 1359 CA GLY A 467 -9.030 -0.404 -12.742 1.00 0.97 C ATOM 1360 C GLY A 467 -10.022 0.743 -12.936 1.00 1.08 C ATOM 1361 O GLY A 467 -9.644 1.864 -13.211 1.00 1.38 O ATOM 0 H GLY A 467 -10.023 -2.017 -11.756 1.00 0.77 H new ATOM 0 HA2 GLY A 467 -8.023 -0.009 -12.604 1.00 0.97 H new ATOM 0 HA3 GLY A 467 -9.007 -1.033 -13.632 1.00 0.97 H new ATOM 1723 N TRP B 402 7.179 -2.118 2.032 1.00 0.95 N ATOM 1724 CA TRP B 402 5.841 -2.751 2.220 1.00 0.86 C ATOM 1725 C TRP B 402 5.708 -4.040 1.405 1.00 0.79 C ATOM 1726 O TRP B 402 5.522 -5.105 1.953 1.00 0.71 O ATOM 1727 CB TRP B 402 4.845 -1.710 1.718 1.00 0.96 C ATOM 1728 CG TRP B 402 3.729 -1.595 2.698 1.00 0.84 C ATOM 1729 CD1 TRP B 402 3.765 -0.850 3.823 1.00 0.94 C ATOM 1730 CD2 TRP B 402 2.424 -2.233 2.663 1.00 0.76 C ATOM 1731 NE1 TRP B 402 2.557 -0.982 4.489 1.00 1.00 N ATOM 1732 CE2 TRP B 402 1.693 -1.825 3.815 1.00 0.83 C ATOM 1733 CE3 TRP B 402 1.800 -3.120 1.749 1.00 0.78 C ATOM 1734 CZ2 TRP B 402 0.384 -2.284 4.055 1.00 0.83 C ATOM 1735 CZ3 TRP B 402 0.485 -3.584 1.985 1.00 0.72 C ATOM 1736 CH2 TRP B 402 -0.222 -3.167 3.137 1.00 0.69 C ATOM 0 HA TRP B 402 5.675 -3.030 3.261 1.00 0.86 H new ATOM 0 HB2 TRP B 402 5.338 -0.746 1.594 1.00 0.96 H new ATOM 0 HB3 TRP B 402 4.459 -1.999 0.740 1.00 0.96 H new ATOM 0 HD1 TRP B 402 4.600 -0.249 4.151 1.00 0.94 H new ATOM 0 HE1 TRP B 402 2.333 -0.515 5.368 1.00 1.00 H new ATOM 0 HE3 TRP B 402 2.333 -3.443 0.867 1.00 0.78 H new ATOM 0 HZ2 TRP B 402 -0.152 -1.962 4.936 1.00 0.83 H new ATOM 0 HZ3 TRP B 402 0.019 -4.259 1.283 1.00 0.72 H new ATOM 0 HH2 TRP B 402 -1.226 -3.525 3.314 1.00 0.69 H new ATOM 1747 N ALA B 403 5.790 -3.954 0.103 1.00 0.85 N ATOM 1748 CA ALA B 403 5.653 -5.182 -0.741 1.00 0.85 C ATOM 1749 C ALA B 403 6.529 -6.313 -0.195 1.00 0.80 C ATOM 1750 O ALA B 403 6.092 -7.438 -0.069 1.00 0.76 O ATOM 1751 CB ALA B 403 6.124 -4.761 -2.133 1.00 0.99 C ATOM 0 H ALA B 403 5.946 -3.088 -0.414 1.00 0.85 H new ATOM 0 HA ALA B 403 4.630 -5.558 -0.752 1.00 0.85 H new ATOM 0 HB1 ALA B 403 6.054 -5.610 -2.813 1.00 0.99 H new ATOM 0 HB2 ALA B 403 5.496 -3.949 -2.500 1.00 0.99 H new ATOM 0 HB3 ALA B 403 7.159 -4.423 -2.080 1.00 0.99 H new ATOM 1757 N THR B 404 7.756 -6.026 0.141 1.00 0.82 N ATOM 1758 CA THR B 404 8.636 -7.097 0.690 1.00 0.81 C ATOM 1759 C THR B 404 8.014 -7.658 1.971 1.00 0.70 C ATOM 1760 O THR B 404 8.048 -8.847 2.224 1.00 0.69 O ATOM 1761 CB THR B 404 9.967 -6.406 0.991 1.00 0.89 C ATOM 1762 OG1 THR B 404 10.448 -5.774 -0.188 1.00 1.07 O ATOM 1763 CG2 THR B 404 10.984 -7.443 1.469 1.00 0.89 C ATOM 0 H THR B 404 8.185 -5.104 0.060 1.00 0.82 H new ATOM 0 HA THR B 404 8.767 -7.930 -0.000 1.00 0.81 H new ATOM 0 HB THR B 404 9.821 -5.658 1.770 1.00 0.89 H new ATOM 0 HG1 THR B 404 11.300 -5.329 0.004 1.00 1.07 H new ATOM 0 HG21 THR B 404 11.932 -6.950 1.683 1.00 0.89 H new ATOM 0 HG22 THR B 404 10.613 -7.926 2.373 1.00 0.89 H new ATOM 0 HG23 THR B 404 11.132 -8.193 0.692 1.00 0.89 H new ATOM 1771 N LEU B 405 7.435 -6.808 2.775 1.00 0.67 N ATOM 1772 CA LEU B 405 6.795 -7.280 4.036 1.00 0.61 C ATOM 1773 C LEU B 405 5.494 -8.017 3.708 1.00 0.53 C ATOM 1774 O LEU B 405 5.065 -8.895 4.429 1.00 0.52 O ATOM 1775 CB LEU B 405 6.514 -5.996 4.833 1.00 0.67 C ATOM 1776 CG LEU B 405 5.897 -6.315 6.209 1.00 0.64 C ATOM 1777 CD1 LEU B 405 4.422 -6.689 6.043 1.00 0.57 C ATOM 1778 CD2 LEU B 405 6.648 -7.475 6.877 1.00 0.64 C ATOM 0 H LEU B 405 7.378 -5.803 2.612 1.00 0.67 H new ATOM 0 HA LEU B 405 7.420 -7.975 4.597 1.00 0.61 H new ATOM 0 HB2 LEU B 405 7.441 -5.439 4.968 1.00 0.67 H new ATOM 0 HB3 LEU B 405 5.837 -5.356 4.268 1.00 0.67 H new ATOM 0 HG LEU B 405 5.980 -5.430 6.840 1.00 0.64 H new ATOM 0 HD11 LEU B 405 3.991 -6.913 7.019 1.00 0.57 H new ATOM 0 HD12 LEU B 405 3.884 -5.855 5.592 1.00 0.57 H new ATOM 0 HD13 LEU B 405 4.339 -7.565 5.400 1.00 0.57 H new ATOM 0 HD21 LEU B 405 6.200 -7.688 7.848 1.00 0.64 H new ATOM 0 HD22 LEU B 405 6.584 -8.361 6.246 1.00 0.64 H new ATOM 0 HD23 LEU B 405 7.694 -7.201 7.013 1.00 0.64 H new ATOM 1790 N LEU B 406 4.865 -7.658 2.623 1.00 0.53 N ATOM 1791 CA LEU B 406 3.592 -8.324 2.237 1.00 0.50 C ATOM 1792 C LEU B 406 3.883 -9.686 1.603 1.00 0.49 C ATOM 1793 O LEU B 406 3.148 -10.636 1.785 1.00 0.45 O ATOM 1794 CB LEU B 406 2.947 -7.374 1.223 1.00 0.57 C ATOM 1795 CG LEU B 406 1.422 -7.460 1.335 1.00 0.59 C ATOM 1796 CD1 LEU B 406 0.983 -7.074 2.749 1.00 0.94 C ATOM 1797 CD2 LEU B 406 0.782 -6.498 0.332 1.00 1.02 C ATOM 0 H LEU B 406 5.181 -6.928 1.985 1.00 0.53 H new ATOM 0 HA LEU B 406 2.939 -8.510 3.090 1.00 0.50 H new ATOM 0 HB2 LEU B 406 3.278 -6.352 1.406 1.00 0.57 H new ATOM 0 HB3 LEU B 406 3.263 -7.635 0.213 1.00 0.57 H new ATOM 0 HG LEU B 406 1.105 -8.481 1.122 1.00 0.59 H new ATOM 0 HD11 LEU B 406 -0.103 -7.137 2.823 1.00 0.94 H new ATOM 0 HD12 LEU B 406 1.436 -7.755 3.469 1.00 0.94 H new ATOM 0 HD13 LEU B 406 1.303 -6.054 2.964 1.00 0.94 H new ATOM 0 HD21 LEU B 406 -0.303 -6.559 0.411 1.00 1.02 H new ATOM 0 HD22 LEU B 406 1.105 -5.480 0.548 1.00 1.02 H new ATOM 0 HD23 LEU B 406 1.088 -6.769 -0.678 1.00 1.02 H new ATOM 1809 N ALA B 407 4.955 -9.790 0.867 1.00 0.56 N ATOM 1810 CA ALA B 407 5.295 -11.095 0.232 1.00 0.59 C ATOM 1811 C ALA B 407 5.648 -12.117 1.314 1.00 0.57 C ATOM 1812 O ALA B 407 5.141 -13.221 1.328 1.00 0.61 O ATOM 1813 CB ALA B 407 6.508 -10.801 -0.652 1.00 0.70 C ATOM 0 H ALA B 407 5.609 -9.030 0.678 1.00 0.56 H new ATOM 0 HA ALA B 407 4.468 -11.510 -0.345 1.00 0.59 H new ATOM 0 HB1 ALA B 407 6.821 -11.715 -1.156 1.00 0.70 H new ATOM 0 HB2 ALA B 407 6.243 -10.049 -1.395 1.00 0.70 H new ATOM 0 HB3 ALA B 407 7.326 -10.429 -0.035 1.00 0.70 H new ATOM 1819 N GLN B 408 6.509 -11.753 2.226 1.00 0.57 N ATOM 1820 CA GLN B 408 6.886 -12.699 3.315 1.00 0.57 C ATOM 1821 C GLN B 408 5.704 -12.891 4.266 1.00 0.50 C ATOM 1822 O GLN B 408 5.474 -13.967 4.781 1.00 0.50 O ATOM 1823 CB GLN B 408 8.055 -12.028 4.037 1.00 0.62 C ATOM 1824 CG GLN B 408 9.372 -12.444 3.378 1.00 0.75 C ATOM 1825 CD GLN B 408 10.453 -12.602 4.449 1.00 0.78 C ATOM 1826 OE1 GLN B 408 10.285 -12.158 5.568 1.00 1.29 O ATOM 1827 NE2 GLN B 408 11.563 -13.219 4.152 1.00 1.46 N ATOM 0 H GLN B 408 6.967 -10.842 2.264 1.00 0.57 H new ATOM 0 HA GLN B 408 7.158 -13.685 2.937 1.00 0.57 H new ATOM 0 HB2 GLN B 408 7.945 -10.944 4.000 1.00 0.62 H new ATOM 0 HB3 GLN B 408 8.057 -12.313 5.089 1.00 0.62 H new ATOM 0 HG2 GLN B 408 9.240 -13.382 2.838 1.00 0.75 H new ATOM 0 HG3 GLN B 408 9.677 -11.696 2.647 1.00 0.75 H new ATOM 0 HE21 GLN B 408 11.704 -13.592 3.213 1.00 1.46 H new ATOM 0 HE22 GLN B 408 12.290 -13.329 4.859 1.00 1.46 H new ATOM 1836 N TRP B 409 4.948 -11.852 4.498 1.00 0.46 N ATOM 1837 CA TRP B 409 3.774 -11.968 5.407 1.00 0.43 C ATOM 1838 C TRP B 409 2.741 -12.925 4.800 1.00 0.40 C ATOM 1839 O TRP B 409 2.409 -13.942 5.376 1.00 0.41 O ATOM 1840 CB TRP B 409 3.216 -10.542 5.508 1.00 0.43 C ATOM 1841 CG TRP B 409 1.883 -10.556 6.191 1.00 0.42 C ATOM 1842 CD1 TRP B 409 1.686 -10.775 7.513 1.00 0.50 C ATOM 1843 CD2 TRP B 409 0.565 -10.346 5.608 1.00 0.40 C ATOM 1844 NE1 TRP B 409 0.329 -10.715 7.783 1.00 0.53 N ATOM 1845 CE2 TRP B 409 -0.408 -10.453 6.643 1.00 0.47 C ATOM 1846 CE3 TRP B 409 0.115 -10.075 4.288 1.00 0.39 C ATOM 1847 CZ2 TRP B 409 -1.782 -10.296 6.381 1.00 0.50 C ATOM 1848 CZ3 TRP B 409 -1.266 -9.916 4.020 1.00 0.43 C ATOM 1849 CH2 TRP B 409 -2.212 -10.026 5.065 1.00 0.48 C ATOM 0 H TRP B 409 5.094 -10.926 4.096 1.00 0.46 H new ATOM 0 HA TRP B 409 4.034 -12.367 6.387 1.00 0.43 H new ATOM 0 HB2 TRP B 409 3.910 -9.910 6.062 1.00 0.43 H new ATOM 0 HB3 TRP B 409 3.118 -10.110 4.512 1.00 0.43 H new ATOM 0 HD1 TRP B 409 2.462 -10.966 8.239 1.00 0.50 H new ATOM 0 HE1 TRP B 409 -0.077 -10.848 8.709 1.00 0.53 H new ATOM 0 HE3 TRP B 409 0.831 -9.990 3.484 1.00 0.39 H new ATOM 0 HZ2 TRP B 409 -2.502 -10.382 7.182 1.00 0.50 H new ATOM 0 HZ3 TRP B 409 -1.598 -9.710 3.013 1.00 0.43 H new ATOM 0 HH2 TRP B 409 -3.264 -9.903 4.856 1.00 0.48 H new ATOM 1860 N ALA B 410 2.234 -12.606 3.641 1.00 0.42 N ATOM 1861 CA ALA B 410 1.226 -13.498 3.000 1.00 0.44 C ATOM 1862 C ALA B 410 1.796 -14.910 2.852 1.00 0.45 C ATOM 1863 O ALA B 410 1.078 -15.889 2.901 1.00 0.47 O ATOM 1864 CB ALA B 410 0.959 -12.877 1.630 1.00 0.51 C ATOM 0 H ALA B 410 2.473 -11.768 3.111 1.00 0.42 H new ATOM 0 HA ALA B 410 0.313 -13.584 3.589 1.00 0.44 H new ATOM 0 HB1 ALA B 410 0.224 -13.479 1.095 1.00 0.51 H new ATOM 0 HB2 ALA B 410 0.575 -11.865 1.758 1.00 0.51 H new ATOM 0 HB3 ALA B 410 1.887 -12.844 1.058 1.00 0.51 H new ATOM 1870 N ASP B 411 3.083 -15.022 2.675 1.00 0.48 N ATOM 1871 CA ASP B 411 3.699 -16.372 2.529 1.00 0.53 C ATOM 1872 C ASP B 411 3.691 -17.097 3.877 1.00 0.53 C ATOM 1873 O ASP B 411 3.375 -18.268 3.961 1.00 0.58 O ATOM 1874 CB ASP B 411 5.133 -16.110 2.068 1.00 0.60 C ATOM 1875 CG ASP B 411 5.771 -17.422 1.611 1.00 1.03 C ATOM 1876 OD1 ASP B 411 6.256 -18.149 2.462 1.00 1.51 O ATOM 1877 OD2 ASP B 411 5.762 -17.679 0.418 1.00 1.78 O ATOM 0 H ASP B 411 3.735 -14.239 2.625 1.00 0.48 H new ATOM 0 HA ASP B 411 3.157 -17.001 1.823 1.00 0.53 H new ATOM 0 HB2 ASP B 411 5.137 -15.388 1.252 1.00 0.60 H new ATOM 0 HB3 ASP B 411 5.714 -15.675 2.881 1.00 0.60 H new ATOM 1882 N ARG B 412 4.030 -16.409 4.933 1.00 0.52 N ATOM 1883 CA ARG B 412 4.035 -17.060 6.274 1.00 0.56 C ATOM 1884 C ARG B 412 2.648 -17.625 6.582 1.00 0.55 C ATOM 1885 O ARG B 412 2.509 -18.686 7.155 1.00 0.63 O ATOM 1886 CB ARG B 412 4.392 -15.945 7.258 1.00 0.58 C ATOM 1887 CG ARG B 412 4.828 -16.560 8.590 1.00 0.96 C ATOM 1888 CD ARG B 412 6.154 -17.299 8.401 1.00 1.50 C ATOM 1889 NE ARG B 412 7.101 -16.635 9.338 1.00 1.90 N ATOM 1890 CZ ARG B 412 7.583 -17.296 10.355 1.00 2.41 C ATOM 1891 NH1 ARG B 412 8.652 -18.030 10.208 1.00 3.02 N ATOM 1892 NH2 ARG B 412 6.996 -17.223 11.519 1.00 2.89 N ATOM 0 H ARG B 412 4.303 -15.426 4.925 1.00 0.52 H new ATOM 0 HA ARG B 412 4.740 -17.889 6.331 1.00 0.56 H new ATOM 0 HB2 ARG B 412 5.193 -15.328 6.850 1.00 0.58 H new ATOM 0 HB3 ARG B 412 3.533 -15.291 7.411 1.00 0.58 H new ATOM 0 HG2 ARG B 412 4.938 -15.780 9.344 1.00 0.96 H new ATOM 0 HG3 ARG B 412 4.064 -17.248 8.952 1.00 0.96 H new ATOM 0 HD2 ARG B 412 6.051 -18.360 8.630 1.00 1.50 H new ATOM 0 HD3 ARG B 412 6.503 -17.227 7.371 1.00 1.50 H new ATOM 0 HE ARG B 412 7.373 -15.664 9.185 1.00 1.90 H new ATOM 0 HH11 ARG B 412 9.110 -18.087 9.299 1.00 3.02 H new ATOM 0 HH12 ARG B 412 9.029 -18.547 11.002 1.00 3.02 H new ATOM 0 HH21 ARG B 412 6.160 -16.649 11.634 1.00 2.89 H new ATOM 0 HH22 ARG B 412 7.373 -17.740 12.314 1.00 2.89 H new ATOM 1906 N ALA B 413 1.619 -16.921 6.197 1.00 0.50 N ATOM 1907 CA ALA B 413 0.237 -17.411 6.458 1.00 0.53 C ATOM 1908 C ALA B 413 -0.102 -18.555 5.498 1.00 0.57 C ATOM 1909 O ALA B 413 -0.796 -19.488 5.850 1.00 0.66 O ATOM 1910 CB ALA B 413 -0.667 -16.206 6.200 1.00 0.53 C ATOM 0 H ALA B 413 1.677 -16.026 5.712 1.00 0.50 H new ATOM 0 HA ALA B 413 0.117 -17.797 7.470 1.00 0.53 H new ATOM 0 HB1 ALA B 413 -1.706 -16.487 6.372 1.00 0.53 H new ATOM 0 HB2 ALA B 413 -0.394 -15.395 6.875 1.00 0.53 H new ATOM 0 HB3 ALA B 413 -0.546 -15.875 5.169 1.00 0.53 H new ATOM 1916 N LEU B 414 0.384 -18.488 4.289 1.00 0.54 N ATOM 1917 CA LEU B 414 0.093 -19.573 3.308 1.00 0.62 C ATOM 1918 C LEU B 414 0.507 -20.928 3.886 1.00 0.71 C ATOM 1919 O LEU B 414 -0.238 -21.887 3.842 1.00 0.82 O ATOM 1920 CB LEU B 414 0.938 -19.234 2.079 1.00 0.63 C ATOM 1921 CG LEU B 414 0.020 -18.939 0.891 1.00 0.71 C ATOM 1922 CD1 LEU B 414 -0.621 -17.562 1.071 1.00 1.11 C ATOM 1923 CD2 LEU B 414 0.839 -18.953 -0.401 1.00 1.03 C ATOM 0 H LEU B 414 0.969 -17.730 3.938 1.00 0.54 H new ATOM 0 HA LEU B 414 -0.968 -19.639 3.066 1.00 0.62 H new ATOM 0 HB2 LEU B 414 1.570 -18.370 2.287 1.00 0.63 H new ATOM 0 HB3 LEU B 414 1.602 -20.065 1.841 1.00 0.63 H new ATOM 0 HG LEU B 414 -0.759 -19.699 0.837 1.00 0.71 H new ATOM 0 HD11 LEU B 414 -1.275 -17.352 0.225 1.00 1.11 H new ATOM 0 HD12 LEU B 414 -1.204 -17.550 1.992 1.00 1.11 H new ATOM 0 HD13 LEU B 414 0.159 -16.802 1.125 1.00 1.11 H new ATOM 0 HD21 LEU B 414 0.186 -18.743 -1.248 1.00 1.03 H new ATOM 0 HD22 LEU B 414 1.618 -18.193 -0.346 1.00 1.03 H new ATOM 0 HD23 LEU B 414 1.297 -19.933 -0.531 1.00 1.03 H new ATOM 1935 N ARG B 415 1.690 -21.013 4.427 1.00 0.73 N ATOM 1936 CA ARG B 415 2.154 -22.303 5.008 1.00 0.87 C ATOM 1937 C ARG B 415 1.692 -22.425 6.463 1.00 0.93 C ATOM 1938 O ARG B 415 2.468 -22.725 7.348 1.00 1.26 O ATOM 1939 CB ARG B 415 3.680 -22.246 4.933 1.00 1.02 C ATOM 1940 CG ARG B 415 4.117 -22.160 3.469 1.00 1.40 C ATOM 1941 CD ARG B 415 5.581 -22.584 3.345 1.00 1.61 C ATOM 1942 NE ARG B 415 5.895 -22.463 1.894 1.00 2.27 N ATOM 1943 CZ ARG B 415 6.637 -23.364 1.309 1.00 2.92 C ATOM 1944 NH1 ARG B 415 6.331 -24.628 1.414 1.00 3.70 N ATOM 1945 NH2 ARG B 415 7.683 -23.000 0.621 1.00 3.32 N ATOM 0 H ARG B 415 2.356 -20.244 4.492 1.00 0.73 H new ATOM 0 HA ARG B 415 1.752 -23.164 4.474 1.00 0.87 H new ATOM 0 HB2 ARG B 415 4.050 -21.382 5.485 1.00 1.02 H new ATOM 0 HB3 ARG B 415 4.111 -23.131 5.401 1.00 1.02 H new ATOM 0 HG2 ARG B 415 3.488 -22.803 2.853 1.00 1.40 H new ATOM 0 HG3 ARG B 415 3.990 -21.142 3.100 1.00 1.40 H new ATOM 0 HD2 ARG B 415 6.229 -21.944 3.944 1.00 1.61 H new ATOM 0 HD3 ARG B 415 5.727 -23.605 3.697 1.00 1.61 H new ATOM 0 HE ARG B 415 5.530 -21.676 1.357 1.00 2.27 H new ATOM 0 HH11 ARG B 415 5.513 -24.912 1.953 1.00 3.70 H new ATOM 0 HH12 ARG B 415 6.910 -25.333 0.957 1.00 3.70 H new ATOM 0 HH21 ARG B 415 7.921 -22.012 0.540 1.00 3.32 H new ATOM 0 HH22 ARG B 415 8.263 -23.704 0.164 1.00 3.32 H new ATOM 1959 N SER B 416 0.433 -22.191 6.718 1.00 0.90 N ATOM 1960 CA SER B 416 -0.076 -22.292 8.115 1.00 0.99 C ATOM 1961 C SER B 416 -1.606 -22.320 8.120 1.00 0.99 C ATOM 1962 O SER B 416 -2.217 -23.311 8.469 1.00 1.63 O ATOM 1963 CB SER B 416 0.439 -21.035 8.816 1.00 1.20 C ATOM 1964 OG SER B 416 0.896 -21.377 10.118 1.00 1.70 O ATOM 0 H SER B 416 -0.264 -21.934 6.019 1.00 0.90 H new ATOM 0 HA SER B 416 0.260 -23.202 8.612 1.00 0.99 H new ATOM 0 HB2 SER B 416 1.249 -20.589 8.239 1.00 1.20 H new ATOM 0 HB3 SER B 416 -0.354 -20.290 8.880 1.00 1.20 H new ATOM 0 HG SER B 416 1.229 -20.573 10.570 1.00 1.70 H new ATOM 1970 N GLY B 417 -2.231 -21.241 7.735 1.00 1.06 N ATOM 1971 CA GLY B 417 -3.721 -21.209 7.718 1.00 1.06 C ATOM 1972 C GLY B 417 -4.198 -19.816 7.303 1.00 0.99 C ATOM 1973 O GLY B 417 -5.003 -19.200 7.974 1.00 1.31 O ATOM 0 H GLY B 417 -1.775 -20.381 7.432 1.00 1.06 H new ATOM 0 HA2 GLY B 417 -4.103 -21.957 7.024 1.00 1.06 H new ATOM 0 HA3 GLY B 417 -4.112 -21.460 8.704 1.00 1.06 H new ATOM 1977 N HIS B 418 -3.710 -19.313 6.203 1.00 0.78 N ATOM 1978 CA HIS B 418 -4.138 -17.960 5.746 1.00 0.88 C ATOM 1979 C HIS B 418 -5.647 -17.937 5.476 1.00 0.89 C ATOM 1980 O HIS B 418 -6.297 -18.963 5.447 1.00 1.17 O ATOM 1981 CB HIS B 418 -3.344 -17.706 4.459 1.00 1.01 C ATOM 1982 CG HIS B 418 -3.808 -18.629 3.358 1.00 1.69 C ATOM 1983 ND1 HIS B 418 -4.611 -19.738 3.596 1.00 2.18 N ATOM 1984 CD2 HIS B 418 -3.584 -18.617 2.002 1.00 2.31 C ATOM 1985 CE1 HIS B 418 -4.836 -20.337 2.411 1.00 2.86 C ATOM 1986 NE2 HIS B 418 -4.233 -19.695 1.408 1.00 2.97 N ATOM 0 H HIS B 418 -3.033 -19.780 5.600 1.00 0.78 H new ATOM 0 HA HIS B 418 -3.948 -17.192 6.495 1.00 0.88 H new ATOM 0 HB2 HIS B 418 -3.468 -16.669 4.148 1.00 1.01 H new ATOM 0 HB3 HIS B 418 -2.281 -17.858 4.645 1.00 1.01 H new ATOM 0 HD1 HIS B 418 -4.965 -20.043 4.503 1.00 2.18 H new ATOM 0 HD2 HIS B 418 -2.993 -17.881 1.477 1.00 2.31 H new ATOM 0 HE1 HIS B 418 -5.432 -21.229 2.287 1.00 2.86 H new ATOM 1994 N GLN B 419 -6.206 -16.775 5.275 1.00 1.08 N ATOM 1995 CA GLN B 419 -7.669 -16.690 5.004 1.00 1.24 C ATOM 1996 C GLN B 419 -8.030 -15.292 4.489 1.00 1.03 C ATOM 1997 O GLN B 419 -8.272 -15.098 3.315 1.00 1.28 O ATOM 1998 CB GLN B 419 -8.338 -16.957 6.353 1.00 1.71 C ATOM 1999 CG GLN B 419 -9.272 -18.163 6.233 1.00 2.32 C ATOM 2000 CD GLN B 419 -10.724 -17.702 6.376 1.00 2.91 C ATOM 2001 OE1 GLN B 419 -11.433 -17.577 5.398 1.00 3.29 O ATOM 2002 NE2 GLN B 419 -11.199 -17.443 7.563 1.00 3.52 N ATOM 0 H GLN B 419 -5.714 -15.882 5.287 1.00 1.08 H new ATOM 0 HA GLN B 419 -7.992 -17.401 4.243 1.00 1.24 H new ATOM 0 HB2 GLN B 419 -7.581 -17.145 7.115 1.00 1.71 H new ATOM 0 HB3 GLN B 419 -8.900 -16.079 6.672 1.00 1.71 H new ATOM 0 HG2 GLN B 419 -9.128 -18.653 5.270 1.00 2.32 H new ATOM 0 HG3 GLN B 419 -9.035 -18.897 7.003 1.00 2.32 H new ATOM 0 HE21 GLN B 419 -10.604 -17.548 8.385 1.00 3.52 H new ATOM 0 HE22 GLN B 419 -12.166 -17.136 7.670 1.00 3.52 H new ATOM 2011 N ASN B 420 -8.069 -14.319 5.357 1.00 0.78 N ATOM 2012 CA ASN B 420 -8.414 -12.939 4.916 1.00 0.70 C ATOM 2013 C ASN B 420 -7.147 -12.176 4.520 1.00 0.58 C ATOM 2014 O ASN B 420 -6.905 -11.077 4.977 1.00 0.70 O ATOM 2015 CB ASN B 420 -9.076 -12.288 6.131 1.00 0.86 C ATOM 2016 CG ASN B 420 -10.585 -12.542 6.088 1.00 1.35 C ATOM 2017 OD1 ASN B 420 -11.177 -12.573 5.027 1.00 1.96 O ATOM 2018 ND2 ASN B 420 -11.235 -12.727 7.204 1.00 1.87 N ATOM 0 H ASN B 420 -7.877 -14.421 6.354 1.00 0.78 H new ATOM 0 HA ASN B 420 -9.069 -12.936 4.045 1.00 0.70 H new ATOM 0 HB2 ASN B 420 -8.654 -12.695 7.050 1.00 0.86 H new ATOM 0 HB3 ASN B 420 -8.877 -11.216 6.136 1.00 0.86 H new ATOM 0 HD21 ASN B 420 -12.240 -12.898 7.186 1.00 1.87 H new ATOM 0 HD22 ASN B 420 -10.738 -12.701 8.094 1.00 1.87 H new ATOM 2025 N LEU B 421 -6.338 -12.751 3.674 1.00 0.45 N ATOM 2026 CA LEU B 421 -5.086 -12.060 3.250 1.00 0.40 C ATOM 2027 C LEU B 421 -5.402 -10.652 2.734 1.00 0.39 C ATOM 2028 O LEU B 421 -5.188 -9.669 3.414 1.00 0.53 O ATOM 2029 CB LEU B 421 -4.518 -12.926 2.125 1.00 0.42 C ATOM 2030 CG LEU B 421 -3.568 -13.971 2.715 1.00 0.39 C ATOM 2031 CD1 LEU B 421 -3.779 -15.310 2.005 1.00 0.50 C ATOM 2032 CD2 LEU B 421 -2.121 -13.512 2.516 1.00 0.41 C ATOM 0 H LEU B 421 -6.489 -13.670 3.257 1.00 0.45 H new ATOM 0 HA LEU B 421 -4.382 -11.944 4.074 1.00 0.40 H new ATOM 0 HB2 LEU B 421 -5.328 -13.418 1.586 1.00 0.42 H new ATOM 0 HB3 LEU B 421 -3.988 -12.303 1.404 1.00 0.42 H new ATOM 0 HG LEU B 421 -3.771 -14.088 3.780 1.00 0.39 H new ATOM 0 HD11 LEU B 421 -3.103 -16.055 2.425 1.00 0.50 H new ATOM 0 HD12 LEU B 421 -4.810 -15.637 2.143 1.00 0.50 H new ATOM 0 HD13 LEU B 421 -3.575 -15.194 0.941 1.00 0.50 H new ATOM 0 HD21 LEU B 421 -1.443 -14.255 2.936 1.00 0.41 H new ATOM 0 HD22 LEU B 421 -1.919 -13.397 1.451 1.00 0.41 H new ATOM 0 HD23 LEU B 421 -1.970 -12.557 3.019 1.00 0.41 H new ATOM 2044 N LEU B 422 -5.907 -10.550 1.536 1.00 0.33 N ATOM 2045 CA LEU B 422 -6.233 -9.208 0.973 1.00 0.34 C ATOM 2046 C LEU B 422 -7.225 -8.473 1.878 1.00 0.34 C ATOM 2047 O LEU B 422 -7.223 -7.262 1.963 1.00 0.37 O ATOM 2048 CB LEU B 422 -6.865 -9.493 -0.389 1.00 0.37 C ATOM 2049 CG LEU B 422 -5.765 -9.633 -1.443 1.00 0.38 C ATOM 2050 CD1 LEU B 422 -6.340 -10.293 -2.698 1.00 0.59 C ATOM 2051 CD2 LEU B 422 -5.225 -8.246 -1.801 1.00 0.63 C ATOM 0 H LEU B 422 -6.109 -11.338 0.921 1.00 0.33 H new ATOM 0 HA LEU B 422 -5.351 -8.573 0.892 1.00 0.34 H new ATOM 0 HB2 LEU B 422 -7.457 -10.407 -0.343 1.00 0.37 H new ATOM 0 HB3 LEU B 422 -7.545 -8.686 -0.662 1.00 0.37 H new ATOM 0 HG LEU B 422 -4.958 -10.249 -1.046 1.00 0.38 H new ATOM 0 HD11 LEU B 422 -5.556 -10.392 -3.449 1.00 0.59 H new ATOM 0 HD12 LEU B 422 -6.727 -11.280 -2.445 1.00 0.59 H new ATOM 0 HD13 LEU B 422 -7.147 -9.677 -3.096 1.00 0.59 H new ATOM 0 HD21 LEU B 422 -4.441 -8.343 -2.552 1.00 0.63 H new ATOM 0 HD22 LEU B 422 -6.033 -7.632 -2.198 1.00 0.63 H new ATOM 0 HD23 LEU B 422 -4.815 -7.773 -0.908 1.00 0.63 H new ATOM 2063 N SER B 423 -8.074 -9.197 2.552 1.00 0.35 N ATOM 2064 CA SER B 423 -9.070 -8.541 3.447 1.00 0.38 C ATOM 2065 C SER B 423 -8.379 -7.949 4.681 1.00 0.36 C ATOM 2066 O SER B 423 -8.943 -7.137 5.387 1.00 0.39 O ATOM 2067 CB SER B 423 -10.029 -9.658 3.856 1.00 0.44 C ATOM 2068 OG SER B 423 -11.244 -9.522 3.132 1.00 1.23 O ATOM 0 H SER B 423 -8.122 -10.215 2.522 1.00 0.35 H new ATOM 0 HA SER B 423 -9.585 -7.718 2.952 1.00 0.38 H new ATOM 0 HB2 SER B 423 -9.580 -10.631 3.655 1.00 0.44 H new ATOM 0 HB3 SER B 423 -10.224 -9.612 4.927 1.00 0.44 H new ATOM 0 HG SER B 423 -11.861 -10.238 3.391 1.00 1.23 H new ATOM 2074 N GLU B 424 -7.166 -8.351 4.951 1.00 0.34 N ATOM 2075 CA GLU B 424 -6.452 -7.808 6.143 1.00 0.36 C ATOM 2076 C GLU B 424 -5.801 -6.462 5.810 1.00 0.32 C ATOM 2077 O GLU B 424 -6.026 -5.472 6.478 1.00 0.33 O ATOM 2078 CB GLU B 424 -5.385 -8.854 6.473 1.00 0.38 C ATOM 2079 CG GLU B 424 -5.840 -9.683 7.676 1.00 0.57 C ATOM 2080 CD GLU B 424 -5.008 -10.964 7.757 1.00 0.81 C ATOM 2081 OE1 GLU B 424 -4.431 -11.338 6.750 1.00 1.54 O ATOM 2082 OE2 GLU B 424 -4.963 -11.552 8.826 1.00 1.22 O ATOM 0 H GLU B 424 -6.640 -9.029 4.400 1.00 0.34 H new ATOM 0 HA GLU B 424 -7.126 -7.631 6.981 1.00 0.36 H new ATOM 0 HB2 GLU B 424 -5.218 -9.502 5.613 1.00 0.38 H new ATOM 0 HB3 GLU B 424 -4.436 -8.365 6.693 1.00 0.38 H new ATOM 0 HG2 GLU B 424 -5.727 -9.105 8.593 1.00 0.57 H new ATOM 0 HG3 GLU B 424 -6.898 -9.929 7.582 1.00 0.57 H new ATOM 2089 N ALA B 425 -4.995 -6.416 4.785 1.00 0.31 N ATOM 2090 CA ALA B 425 -4.330 -5.132 4.416 1.00 0.29 C ATOM 2091 C ALA B 425 -5.295 -4.228 3.636 1.00 0.28 C ATOM 2092 O ALA B 425 -5.036 -3.058 3.440 1.00 0.28 O ATOM 2093 CB ALA B 425 -3.146 -5.539 3.539 1.00 0.29 C ATOM 0 H ALA B 425 -4.768 -7.210 4.187 1.00 0.31 H new ATOM 0 HA ALA B 425 -4.015 -4.567 5.293 1.00 0.29 H new ATOM 0 HB1 ALA B 425 -2.603 -4.648 3.225 1.00 0.29 H new ATOM 0 HB2 ALA B 425 -2.480 -6.189 4.106 1.00 0.29 H new ATOM 0 HB3 ALA B 425 -3.510 -6.071 2.660 1.00 0.29 H new ATOM 2099 N GLN B 426 -6.404 -4.757 3.191 1.00 0.30 N ATOM 2100 CA GLN B 426 -7.377 -3.922 2.428 1.00 0.31 C ATOM 2101 C GLN B 426 -7.711 -2.638 3.202 1.00 0.30 C ATOM 2102 O GLN B 426 -7.516 -1.547 2.697 1.00 0.30 O ATOM 2103 CB GLN B 426 -8.623 -4.796 2.283 1.00 0.36 C ATOM 2104 CG GLN B 426 -8.846 -5.124 0.804 1.00 0.45 C ATOM 2105 CD GLN B 426 -9.864 -6.259 0.682 1.00 0.53 C ATOM 2106 OE1 GLN B 426 -9.507 -7.381 0.379 1.00 1.23 O ATOM 2107 NE2 GLN B 426 -11.126 -6.015 0.905 1.00 1.09 N ATOM 0 H GLN B 426 -6.678 -5.731 3.323 1.00 0.30 H new ATOM 0 HA GLN B 426 -6.978 -3.612 1.462 1.00 0.31 H new ATOM 0 HB2 GLN B 426 -8.504 -5.715 2.857 1.00 0.36 H new ATOM 0 HB3 GLN B 426 -9.493 -4.278 2.687 1.00 0.36 H new ATOM 0 HG2 GLN B 426 -9.204 -4.241 0.275 1.00 0.45 H new ATOM 0 HG3 GLN B 426 -7.904 -5.414 0.339 1.00 0.45 H new ATOM 0 HE21 GLN B 426 -11.426 -5.074 1.159 1.00 1.09 H new ATOM 0 HE22 GLN B 426 -11.812 -6.765 0.825 1.00 1.09 H new ATOM 2116 N PRO B 427 -8.208 -2.800 4.405 1.00 0.32 N ATOM 2117 CA PRO B 427 -8.571 -1.623 5.233 1.00 0.34 C ATOM 2118 C PRO B 427 -7.314 -0.865 5.668 1.00 0.31 C ATOM 2119 O PRO B 427 -7.377 0.284 6.053 1.00 0.35 O ATOM 2120 CB PRO B 427 -9.295 -2.231 6.432 1.00 0.39 C ATOM 2121 CG PRO B 427 -8.785 -3.632 6.516 1.00 0.38 C ATOM 2122 CD PRO B 427 -8.475 -4.066 5.107 1.00 0.35 C ATOM 0 HA PRO B 427 -9.187 -0.898 4.700 1.00 0.34 H new ATOM 0 HB2 PRO B 427 -9.081 -1.677 7.346 1.00 0.39 H new ATOM 0 HB3 PRO B 427 -10.376 -2.211 6.293 1.00 0.39 H new ATOM 0 HG2 PRO B 427 -7.894 -3.682 7.141 1.00 0.38 H new ATOM 0 HG3 PRO B 427 -9.529 -4.288 6.968 1.00 0.38 H new ATOM 0 HD2 PRO B 427 -7.613 -4.732 5.073 1.00 0.35 H new ATOM 0 HD3 PRO B 427 -9.311 -4.604 4.660 1.00 0.35 H new ATOM 2130 N GLU B 428 -6.172 -1.494 5.603 1.00 0.29 N ATOM 2131 CA GLU B 428 -4.919 -0.794 6.006 1.00 0.29 C ATOM 2132 C GLU B 428 -4.622 0.343 5.024 1.00 0.27 C ATOM 2133 O GLU B 428 -4.432 1.480 5.410 1.00 0.32 O ATOM 2134 CB GLU B 428 -3.829 -1.865 5.938 1.00 0.29 C ATOM 2135 CG GLU B 428 -2.796 -1.613 7.038 1.00 0.71 C ATOM 2136 CD GLU B 428 -3.341 -2.119 8.376 1.00 1.36 C ATOM 2137 OE1 GLU B 428 -3.999 -1.348 9.054 1.00 2.11 O ATOM 2138 OE2 GLU B 428 -3.090 -3.268 8.700 1.00 2.07 O ATOM 0 H GLU B 428 -6.052 -2.457 5.290 1.00 0.29 H new ATOM 0 HA GLU B 428 -4.988 -0.350 6.999 1.00 0.29 H new ATOM 0 HB2 GLU B 428 -4.269 -2.855 6.058 1.00 0.29 H new ATOM 0 HB3 GLU B 428 -3.347 -1.847 4.961 1.00 0.29 H new ATOM 0 HG2 GLU B 428 -1.862 -2.121 6.798 1.00 0.71 H new ATOM 0 HG3 GLU B 428 -2.572 -0.548 7.104 1.00 0.71 H new ATOM 2145 N LEU B 429 -4.591 0.044 3.753 1.00 0.25 N ATOM 2146 CA LEU B 429 -4.317 1.106 2.742 1.00 0.26 C ATOM 2147 C LEU B 429 -5.465 2.118 2.725 1.00 0.25 C ATOM 2148 O LEU B 429 -5.251 3.312 2.667 1.00 0.28 O ATOM 2149 CB LEU B 429 -4.230 0.368 1.404 1.00 0.26 C ATOM 2150 CG LEU B 429 -4.071 1.379 0.264 1.00 0.29 C ATOM 2151 CD1 LEU B 429 -2.645 1.313 -0.281 1.00 0.45 C ATOM 2152 CD2 LEU B 429 -5.056 1.040 -0.856 1.00 0.56 C ATOM 0 H LEU B 429 -4.744 -0.889 3.371 1.00 0.25 H new ATOM 0 HA LEU B 429 -3.404 1.661 2.958 1.00 0.26 H new ATOM 0 HB2 LEU B 429 -3.385 -0.321 1.412 1.00 0.26 H new ATOM 0 HB3 LEU B 429 -5.128 -0.231 1.249 1.00 0.26 H new ATOM 0 HG LEU B 429 -4.272 2.383 0.638 1.00 0.29 H new ATOM 0 HD11 LEU B 429 -2.532 2.032 -1.092 1.00 0.45 H new ATOM 0 HD12 LEU B 429 -1.940 1.550 0.515 1.00 0.45 H new ATOM 0 HD13 LEU B 429 -2.445 0.309 -0.656 1.00 0.45 H new ATOM 0 HD21 LEU B 429 -4.945 1.758 -1.668 1.00 0.56 H new ATOM 0 HD22 LEU B 429 -4.852 0.036 -1.229 1.00 0.56 H new ATOM 0 HD23 LEU B 429 -6.075 1.084 -0.470 1.00 0.56 H new ATOM 2164 N GLU B 430 -6.683 1.649 2.775 1.00 0.26 N ATOM 2165 CA GLU B 430 -7.841 2.588 2.762 1.00 0.28 C ATOM 2166 C GLU B 430 -7.854 3.428 4.042 1.00 0.30 C ATOM 2167 O GLU B 430 -8.355 4.535 4.063 1.00 0.33 O ATOM 2168 CB GLU B 430 -9.078 1.692 2.695 1.00 0.30 C ATOM 2169 CG GLU B 430 -9.895 2.042 1.451 1.00 0.61 C ATOM 2170 CD GLU B 430 -9.657 0.986 0.370 1.00 1.45 C ATOM 2171 OE1 GLU B 430 -10.084 -0.140 0.566 1.00 2.05 O ATOM 2172 OE2 GLU B 430 -9.054 1.322 -0.637 1.00 2.17 O ATOM 0 H GLU B 430 -6.925 0.659 2.824 1.00 0.26 H new ATOM 0 HA GLU B 430 -7.798 3.285 1.925 1.00 0.28 H new ATOM 0 HB2 GLU B 430 -8.780 0.644 2.664 1.00 0.30 H new ATOM 0 HB3 GLU B 430 -9.685 1.824 3.591 1.00 0.30 H new ATOM 0 HG2 GLU B 430 -10.955 2.090 1.701 1.00 0.61 H new ATOM 0 HG3 GLU B 430 -9.610 3.027 1.081 1.00 0.61 H new ATOM 2179 N ARG B 431 -7.308 2.912 5.109 1.00 0.33 N ATOM 2180 CA ARG B 431 -7.291 3.682 6.386 1.00 0.37 C ATOM 2181 C ARG B 431 -6.359 4.892 6.263 1.00 0.36 C ATOM 2182 O ARG B 431 -6.746 6.012 6.530 1.00 0.38 O ATOM 2183 CB ARG B 431 -6.760 2.701 7.432 1.00 0.41 C ATOM 2184 CG ARG B 431 -6.610 3.415 8.778 1.00 0.59 C ATOM 2185 CD ARG B 431 -5.742 2.568 9.710 1.00 1.32 C ATOM 2186 NE ARG B 431 -5.127 3.543 10.654 1.00 1.56 N ATOM 2187 CZ ARG B 431 -4.196 4.357 10.236 1.00 2.19 C ATOM 2188 NH1 ARG B 431 -3.188 3.896 9.547 1.00 2.87 N ATOM 2189 NH2 ARG B 431 -4.273 5.631 10.507 1.00 2.78 N ATOM 0 H ARG B 431 -6.873 1.991 5.152 1.00 0.33 H new ATOM 0 HA ARG B 431 -8.276 4.066 6.650 1.00 0.37 H new ATOM 0 HB2 ARG B 431 -7.441 1.856 7.531 1.00 0.41 H new ATOM 0 HB3 ARG B 431 -5.798 2.299 7.113 1.00 0.41 H new ATOM 0 HG2 ARG B 431 -6.157 4.396 8.633 1.00 0.59 H new ATOM 0 HG3 ARG B 431 -7.590 3.580 9.226 1.00 0.59 H new ATOM 0 HD2 ARG B 431 -6.339 1.827 10.241 1.00 1.32 H new ATOM 0 HD3 ARG B 431 -4.980 2.023 9.153 1.00 1.32 H new ATOM 0 HE ARG B 431 -5.433 3.574 11.626 1.00 1.56 H new ATOM 0 HH11 ARG B 431 -3.128 2.900 9.335 1.00 2.87 H new ATOM 0 HH12 ARG B 431 -2.460 4.532 9.220 1.00 2.87 H new ATOM 0 HH21 ARG B 431 -5.061 5.991 11.046 1.00 2.78 H new ATOM 0 HH22 ARG B 431 -3.545 6.267 10.180 1.00 2.78 H new ATOM 2203 N THR B 432 -5.135 4.675 5.866 1.00 0.41 N ATOM 2204 CA THR B 432 -4.185 5.818 5.734 1.00 0.45 C ATOM 2205 C THR B 432 -4.750 6.874 4.778 1.00 0.40 C ATOM 2206 O THR B 432 -4.591 8.060 4.985 1.00 0.56 O ATOM 2207 CB THR B 432 -2.904 5.211 5.161 1.00 0.53 C ATOM 2208 OG1 THR B 432 -2.428 4.199 6.039 1.00 0.61 O ATOM 2209 CG2 THR B 432 -1.842 6.302 5.013 1.00 0.62 C ATOM 0 H THR B 432 -4.752 3.760 5.628 1.00 0.41 H new ATOM 0 HA THR B 432 -4.009 6.315 6.688 1.00 0.45 H new ATOM 0 HB THR B 432 -3.113 4.776 4.184 1.00 0.53 H new ATOM 0 HG1 THR B 432 -1.608 3.807 5.673 1.00 0.61 H new ATOM 0 HG21 THR B 432 -0.929 5.868 4.604 1.00 0.62 H new ATOM 0 HG22 THR B 432 -2.208 7.077 4.340 1.00 0.62 H new ATOM 0 HG23 THR B 432 -1.631 6.739 5.989 1.00 0.62 H new ATOM 2217 N LEU B 433 -5.406 6.452 3.732 1.00 0.33 N ATOM 2218 CA LEU B 433 -5.977 7.435 2.765 1.00 0.30 C ATOM 2219 C LEU B 433 -7.224 8.098 3.354 1.00 0.27 C ATOM 2220 O LEU B 433 -7.327 9.308 3.409 1.00 0.25 O ATOM 2221 CB LEU B 433 -6.340 6.609 1.530 1.00 0.37 C ATOM 2222 CG LEU B 433 -5.765 7.279 0.281 1.00 0.42 C ATOM 2223 CD1 LEU B 433 -6.345 8.690 0.146 1.00 0.41 C ATOM 2224 CD2 LEU B 433 -4.241 7.362 0.405 1.00 0.44 C ATOM 0 H LEU B 433 -5.572 5.472 3.504 1.00 0.33 H new ATOM 0 HA LEU B 433 -5.276 8.236 2.529 1.00 0.30 H new ATOM 0 HB2 LEU B 433 -5.946 5.597 1.627 1.00 0.37 H new ATOM 0 HB3 LEU B 433 -7.423 6.522 1.443 1.00 0.37 H new ATOM 0 HG LEU B 433 -6.027 6.694 -0.600 1.00 0.42 H new ATOM 0 HD11 LEU B 433 -5.936 9.168 -0.744 1.00 0.41 H new ATOM 0 HD12 LEU B 433 -7.430 8.631 0.059 1.00 0.41 H new ATOM 0 HD13 LEU B 433 -6.083 9.277 1.026 1.00 0.41 H new ATOM 0 HD21 LEU B 433 -3.829 7.839 -0.484 1.00 0.44 H new ATOM 0 HD22 LEU B 433 -3.979 7.948 1.286 1.00 0.44 H new ATOM 0 HD23 LEU B 433 -3.829 6.358 0.502 1.00 0.44 H new ATOM 2236 N LEU B 434 -8.174 7.317 3.792 1.00 0.32 N ATOM 2237 CA LEU B 434 -9.413 7.908 4.374 1.00 0.32 C ATOM 2238 C LEU B 434 -9.055 8.898 5.486 1.00 0.29 C ATOM 2239 O LEU B 434 -9.687 9.923 5.644 1.00 0.30 O ATOM 2240 CB LEU B 434 -10.192 6.722 4.943 1.00 0.41 C ATOM 2241 CG LEU B 434 -11.674 7.084 5.040 1.00 0.65 C ATOM 2242 CD1 LEU B 434 -12.327 6.937 3.664 1.00 0.84 C ATOM 2243 CD2 LEU B 434 -12.364 6.144 6.031 1.00 1.14 C ATOM 0 H LEU B 434 -8.146 6.298 3.772 1.00 0.32 H new ATOM 0 HA LEU B 434 -9.994 8.458 3.633 1.00 0.32 H new ATOM 0 HB2 LEU B 434 -10.061 5.848 4.305 1.00 0.41 H new ATOM 0 HB3 LEU B 434 -9.806 6.459 5.928 1.00 0.41 H new ATOM 0 HG LEU B 434 -11.774 8.114 5.383 1.00 0.65 H new ATOM 0 HD11 LEU B 434 -13.384 7.195 3.733 1.00 0.84 H new ATOM 0 HD12 LEU B 434 -11.836 7.604 2.955 1.00 0.84 H new ATOM 0 HD13 LEU B 434 -12.227 5.907 3.322 1.00 0.84 H new ATOM 0 HD21 LEU B 434 -13.421 6.401 6.101 1.00 1.14 H new ATOM 0 HD22 LEU B 434 -12.263 5.115 5.687 1.00 1.14 H new ATOM 0 HD23 LEU B 434 -11.900 6.246 7.012 1.00 1.14 H new ATOM 2255 N THR B 435 -8.044 8.601 6.256 1.00 0.34 N ATOM 2256 CA THR B 435 -7.648 9.530 7.353 1.00 0.37 C ATOM 2257 C THR B 435 -6.945 10.759 6.772 1.00 0.35 C ATOM 2258 O THR B 435 -7.195 11.878 7.177 1.00 0.39 O ATOM 2259 CB THR B 435 -6.686 8.724 8.229 1.00 0.45 C ATOM 2260 OG1 THR B 435 -7.240 7.440 8.477 1.00 0.52 O ATOM 2261 CG2 THR B 435 -6.469 9.454 9.555 1.00 0.55 C ATOM 0 H THR B 435 -7.476 7.758 6.174 1.00 0.34 H new ATOM 0 HA THR B 435 -8.506 9.892 7.920 1.00 0.37 H new ATOM 0 HB THR B 435 -5.730 8.615 7.717 1.00 0.45 H new ATOM 0 HG1 THR B 435 -6.840 6.787 7.865 1.00 0.52 H new ATOM 0 HG21 THR B 435 -5.784 8.880 10.179 1.00 0.55 H new ATOM 0 HG22 THR B 435 -6.045 10.440 9.363 1.00 0.55 H new ATOM 0 HG23 THR B 435 -7.423 9.564 10.070 1.00 0.55 H new ATOM 2269 N THR B 436 -6.069 10.563 5.824 1.00 0.33 N ATOM 2270 CA THR B 436 -5.357 11.724 5.218 1.00 0.36 C ATOM 2271 C THR B 436 -6.367 12.700 4.615 1.00 0.36 C ATOM 2272 O THR B 436 -6.491 13.827 5.053 1.00 0.40 O ATOM 2273 CB THR B 436 -4.472 11.122 4.125 1.00 0.38 C ATOM 2274 OG1 THR B 436 -3.525 10.242 4.715 1.00 0.39 O ATOM 2275 CG2 THR B 436 -3.738 12.242 3.385 1.00 0.49 C ATOM 0 H THR B 436 -5.816 9.651 5.444 1.00 0.33 H new ATOM 0 HA THR B 436 -4.773 12.281 5.951 1.00 0.36 H new ATOM 0 HB THR B 436 -5.092 10.569 3.419 1.00 0.38 H new ATOM 0 HG1 THR B 436 -3.691 9.327 4.405 1.00 0.39 H new ATOM 0 HG21 THR B 436 -3.108 11.812 2.607 1.00 0.49 H new ATOM 0 HG22 THR B 436 -4.465 12.916 2.932 1.00 0.49 H new ATOM 0 HG23 THR B 436 -3.118 12.797 4.088 1.00 0.49 H new ATOM 2283 N ALA B 437 -7.097 12.277 3.617 1.00 0.34 N ATOM 2284 CA ALA B 437 -8.104 13.185 2.996 1.00 0.36 C ATOM 2285 C ALA B 437 -9.030 13.747 4.074 1.00 0.36 C ATOM 2286 O ALA B 437 -9.348 14.920 4.080 1.00 0.41 O ATOM 2287 CB ALA B 437 -8.885 12.305 2.019 1.00 0.35 C ATOM 0 H ALA B 437 -7.040 11.345 3.206 1.00 0.34 H new ATOM 0 HA ALA B 437 -7.644 14.036 2.493 1.00 0.36 H new ATOM 0 HB1 ALA B 437 -9.648 12.903 1.521 1.00 0.35 H new ATOM 0 HB2 ALA B 437 -8.203 11.893 1.275 1.00 0.35 H new ATOM 0 HB3 ALA B 437 -9.362 11.490 2.564 1.00 0.35 H new ATOM 2293 N LEU B 438 -9.456 12.927 4.997 1.00 0.34 N ATOM 2294 CA LEU B 438 -10.348 13.438 6.072 1.00 0.36 C ATOM 2295 C LEU B 438 -9.638 14.564 6.823 1.00 0.42 C ATOM 2296 O LEU B 438 -10.245 15.545 7.204 1.00 0.46 O ATOM 2297 CB LEU B 438 -10.612 12.247 7.000 1.00 0.36 C ATOM 2298 CG LEU B 438 -11.340 12.728 8.263 1.00 0.41 C ATOM 2299 CD1 LEU B 438 -12.611 13.490 7.873 1.00 0.42 C ATOM 2300 CD2 LEU B 438 -11.725 11.526 9.127 1.00 0.45 C ATOM 0 H LEU B 438 -9.226 11.935 5.052 1.00 0.34 H new ATOM 0 HA LEU B 438 -11.282 13.840 5.680 1.00 0.36 H new ATOM 0 HB2 LEU B 438 -11.213 11.498 6.485 1.00 0.36 H new ATOM 0 HB3 LEU B 438 -9.671 11.769 7.271 1.00 0.36 H new ATOM 0 HG LEU B 438 -10.676 13.386 8.823 1.00 0.41 H new ATOM 0 HD11 LEU B 438 -13.123 13.829 8.774 1.00 0.42 H new ATOM 0 HD12 LEU B 438 -12.345 14.352 7.261 1.00 0.42 H new ATOM 0 HD13 LEU B 438 -13.270 12.832 7.307 1.00 0.42 H new ATOM 0 HD21 LEU B 438 -12.241 11.872 10.022 1.00 0.45 H new ATOM 0 HD22 LEU B 438 -12.383 10.867 8.561 1.00 0.45 H new ATOM 0 HD23 LEU B 438 -10.826 10.982 9.415 1.00 0.45 H new ATOM 2312 N ARG B 439 -8.353 14.443 7.032 1.00 0.43 N ATOM 2313 CA ARG B 439 -7.615 15.523 7.749 1.00 0.50 C ATOM 2314 C ARG B 439 -7.922 16.869 7.090 1.00 0.54 C ATOM 2315 O ARG B 439 -8.116 17.869 7.751 1.00 0.60 O ATOM 2316 CB ARG B 439 -6.134 15.170 7.599 1.00 0.52 C ATOM 2317 CG ARG B 439 -5.307 16.025 8.560 1.00 0.77 C ATOM 2318 CD ARG B 439 -3.820 15.865 8.239 1.00 1.27 C ATOM 2319 NE ARG B 439 -3.146 16.965 8.984 1.00 1.73 N ATOM 2320 CZ ARG B 439 -3.003 16.884 10.278 1.00 2.28 C ATOM 2321 NH1 ARG B 439 -2.013 16.200 10.783 1.00 2.89 N ATOM 2322 NH2 ARG B 439 -3.848 17.487 11.068 1.00 2.81 N ATOM 0 H ARG B 439 -7.786 13.647 6.739 1.00 0.43 H new ATOM 0 HA ARG B 439 -7.898 15.601 8.799 1.00 0.50 H new ATOM 0 HB2 ARG B 439 -5.978 14.112 7.810 1.00 0.52 H new ATOM 0 HB3 ARG B 439 -5.810 15.341 6.572 1.00 0.52 H new ATOM 0 HG2 ARG B 439 -5.598 17.072 8.473 1.00 0.77 H new ATOM 0 HG3 ARG B 439 -5.502 15.724 9.590 1.00 0.77 H new ATOM 0 HD2 ARG B 439 -3.450 14.890 8.555 1.00 1.27 H new ATOM 0 HD3 ARG B 439 -3.637 15.943 7.167 1.00 1.27 H new ATOM 0 HE ARG B 439 -2.796 17.781 8.482 1.00 1.73 H new ATOM 0 HH11 ARG B 439 -1.351 15.729 10.166 1.00 2.89 H new ATOM 0 HH12 ARG B 439 -1.901 16.136 11.795 1.00 2.89 H new ATOM 0 HH21 ARG B 439 -4.622 18.023 10.674 1.00 2.81 H new ATOM 0 HH22 ARG B 439 -3.735 17.423 12.080 1.00 2.81 H new ATOM 2336 N HIS B 440 -7.999 16.889 5.786 1.00 0.52 N ATOM 2337 CA HIS B 440 -8.330 18.157 5.083 1.00 0.57 C ATOM 2338 C HIS B 440 -9.715 18.622 5.538 1.00 0.58 C ATOM 2339 O HIS B 440 -10.015 19.799 5.572 1.00 0.64 O ATOM 2340 CB HIS B 440 -8.339 17.795 3.596 1.00 0.55 C ATOM 2341 CG HIS B 440 -8.644 19.024 2.784 1.00 0.63 C ATOM 2342 ND1 HIS B 440 -9.557 19.262 1.787 1.00 1.04 N flip ATOM 2343 CD2 HIS B 440 -7.962 20.217 2.964 1.00 0.82 C flip ATOM 2344 CE1 HIS B 440 -9.447 20.580 1.354 1.00 0.97 C flip ATOM 2345 NE2 HIS B 440 -8.471 21.110 2.096 1.00 0.75 N flip ATOM 0 H HIS B 440 -7.847 16.082 5.180 1.00 0.52 H new ATOM 0 HA HIS B 440 -7.624 18.962 5.290 1.00 0.57 H new ATOM 0 HB2 HIS B 440 -7.372 17.384 3.305 1.00 0.55 H new ATOM 0 HB3 HIS B 440 -9.085 17.024 3.403 1.00 0.55 H new ATOM 0 HD2 HIS B 440 -7.167 20.397 3.672 1.00 0.82 H new ATOM 0 HE1 HIS B 440 -10.026 21.069 0.584 1.00 0.97 H new ATOM 0 HE2 HIS B 440 -8.150 22.075 2.014 1.00 0.75 H new ATOM 2353 N THR B 441 -10.553 17.688 5.903 1.00 0.53 N ATOM 2354 CA THR B 441 -11.921 18.036 6.381 1.00 0.55 C ATOM 2355 C THR B 441 -12.194 17.293 7.692 1.00 0.56 C ATOM 2356 O THR B 441 -13.202 16.632 7.842 1.00 0.55 O ATOM 2357 CB THR B 441 -12.872 17.547 5.283 1.00 0.53 C ATOM 2358 OG1 THR B 441 -12.853 16.127 5.243 1.00 0.48 O ATOM 2359 CG2 THR B 441 -12.434 18.103 3.927 1.00 0.54 C ATOM 0 H THR B 441 -10.345 16.690 5.890 1.00 0.53 H new ATOM 0 HA THR B 441 -12.044 19.103 6.567 1.00 0.55 H new ATOM 0 HB THR B 441 -13.882 17.895 5.501 1.00 0.53 H new ATOM 0 HG1 THR B 441 -13.302 15.771 6.038 1.00 0.48 H new ATOM 0 HG21 THR B 441 -13.115 17.751 3.152 1.00 0.54 H new ATOM 0 HG22 THR B 441 -12.451 19.192 3.958 1.00 0.54 H new ATOM 0 HG23 THR B 441 -11.423 17.763 3.704 1.00 0.54 H new ATOM 2367 N GLN B 442 -11.281 17.386 8.630 1.00 0.59 N ATOM 2368 CA GLN B 442 -11.439 16.679 9.940 1.00 0.62 C ATOM 2369 C GLN B 442 -12.880 16.757 10.455 1.00 0.64 C ATOM 2370 O GLN B 442 -13.447 17.823 10.596 1.00 0.69 O ATOM 2371 CB GLN B 442 -10.493 17.410 10.893 1.00 0.69 C ATOM 2372 CG GLN B 442 -9.932 16.420 11.916 1.00 1.43 C ATOM 2373 CD GLN B 442 -8.926 17.135 12.821 1.00 1.79 C ATOM 2374 OE1 GLN B 442 -7.788 16.726 12.925 1.00 2.16 O ATOM 2375 NE2 GLN B 442 -9.303 18.193 13.486 1.00 2.47 N ATOM 0 H GLN B 442 -10.422 17.929 8.541 1.00 0.59 H new ATOM 0 HA GLN B 442 -11.210 15.617 9.851 1.00 0.62 H new ATOM 0 HB2 GLN B 442 -9.679 17.870 10.332 1.00 0.69 H new ATOM 0 HB3 GLN B 442 -11.023 18.214 11.403 1.00 0.69 H new ATOM 0 HG2 GLN B 442 -10.741 16.001 12.514 1.00 1.43 H new ATOM 0 HG3 GLN B 442 -9.449 15.587 11.405 1.00 1.43 H new ATOM 0 HE21 GLN B 442 -10.259 18.536 13.398 1.00 2.47 H new ATOM 0 HE22 GLN B 442 -8.641 18.676 14.093 1.00 2.47 H new ATOM 2384 N GLY B 443 -13.474 15.628 10.738 1.00 0.63 N ATOM 2385 CA GLY B 443 -14.874 15.624 11.244 1.00 0.66 C ATOM 2386 C GLY B 443 -15.839 15.425 10.076 1.00 0.64 C ATOM 2387 O GLY B 443 -16.704 14.573 10.112 1.00 0.66 O ATOM 0 H GLY B 443 -13.047 14.707 10.640 1.00 0.63 H new ATOM 0 HA2 GLY B 443 -15.005 14.828 11.977 1.00 0.66 H new ATOM 0 HA3 GLY B 443 -15.091 16.564 11.752 1.00 0.66 H new ATOM 2391 N HIS B 444 -15.699 16.204 9.039 1.00 0.62 N ATOM 2392 CA HIS B 444 -16.611 16.056 7.869 1.00 0.62 C ATOM 2393 C HIS B 444 -16.236 14.813 7.058 1.00 0.67 C ATOM 2394 O HIS B 444 -15.772 14.907 5.939 1.00 1.34 O ATOM 2395 CB HIS B 444 -16.400 17.324 7.039 1.00 0.63 C ATOM 2396 CG HIS B 444 -17.559 18.259 7.250 1.00 0.95 C ATOM 2397 ND1 HIS B 444 -17.382 19.615 7.473 1.00 1.52 N ATOM 2398 CD2 HIS B 444 -18.916 18.048 7.274 1.00 1.62 C ATOM 2399 CE1 HIS B 444 -18.602 20.164 7.621 1.00 1.77 C ATOM 2400 NE2 HIS B 444 -19.572 19.252 7.509 1.00 1.86 N ATOM 0 H HIS B 444 -14.994 16.936 8.951 1.00 0.62 H new ATOM 0 HA HIS B 444 -17.652 15.935 8.170 1.00 0.62 H new ATOM 0 HB2 HIS B 444 -15.469 17.811 7.329 1.00 0.63 H new ATOM 0 HB3 HIS B 444 -16.311 17.070 5.983 1.00 0.63 H new ATOM 0 HD2 HIS B 444 -19.400 17.093 7.132 1.00 1.62 H new ATOM 0 HE1 HIS B 444 -18.776 21.214 7.808 1.00 1.77 H new ATOM 0 HE2 HIS B 444 -20.578 19.406 7.580 1.00 1.86 H new ATOM 2408 N LYS B 445 -16.434 13.647 7.613 1.00 0.62 N ATOM 2409 CA LYS B 445 -16.091 12.399 6.873 1.00 0.51 C ATOM 2410 C LYS B 445 -16.742 12.410 5.486 1.00 0.51 C ATOM 2411 O LYS B 445 -16.284 11.761 4.568 1.00 0.57 O ATOM 2412 CB LYS B 445 -16.662 11.265 7.723 1.00 0.62 C ATOM 2413 CG LYS B 445 -15.970 9.951 7.355 1.00 1.31 C ATOM 2414 CD LYS B 445 -16.964 8.796 7.485 1.00 1.56 C ATOM 2415 CE LYS B 445 -16.294 7.624 8.205 1.00 2.23 C ATOM 2416 NZ LYS B 445 -16.823 7.675 9.596 1.00 2.52 N ATOM 0 H LYS B 445 -16.819 13.505 8.547 1.00 0.62 H new ATOM 0 HA LYS B 445 -15.017 12.292 6.719 1.00 0.51 H new ATOM 0 HB2 LYS B 445 -16.516 11.481 8.781 1.00 0.62 H new ATOM 0 HB3 LYS B 445 -17.736 11.180 7.560 1.00 0.62 H new ATOM 0 HG2 LYS B 445 -15.588 10.002 6.336 1.00 1.31 H new ATOM 0 HG3 LYS B 445 -15.114 9.783 8.009 1.00 1.31 H new ATOM 0 HD2 LYS B 445 -17.845 9.121 8.039 1.00 1.56 H new ATOM 0 HD3 LYS B 445 -17.305 8.483 6.498 1.00 1.56 H new ATOM 0 HE2 LYS B 445 -16.536 6.676 7.725 1.00 2.23 H new ATOM 0 HE3 LYS B 445 -15.208 7.721 8.192 1.00 2.23 H new ATOM 0 HZ1 LYS B 445 -16.409 6.901 10.153 1.00 2.52 H new ATOM 0 HZ2 LYS B 445 -16.572 8.586 10.030 1.00 2.52 H new ATOM 0 HZ3 LYS B 445 -17.858 7.574 9.578 1.00 2.52 H new ATOM 2430 N GLN B 446 -17.809 13.148 5.330 1.00 0.53 N ATOM 2431 CA GLN B 446 -18.489 13.205 4.004 1.00 0.56 C ATOM 2432 C GLN B 446 -17.611 13.946 2.993 1.00 0.52 C ATOM 2433 O GLN B 446 -17.471 13.535 1.858 1.00 0.51 O ATOM 2434 CB GLN B 446 -19.785 13.975 4.255 1.00 0.64 C ATOM 2435 CG GLN B 446 -20.607 14.030 2.965 1.00 1.11 C ATOM 2436 CD GLN B 446 -21.688 15.105 3.091 1.00 1.79 C ATOM 2437 OE1 GLN B 446 -21.386 16.279 3.178 1.00 2.45 O ATOM 2438 NE2 GLN B 446 -22.944 14.752 3.105 1.00 2.40 N ATOM 0 H GLN B 446 -18.238 13.713 6.063 1.00 0.53 H new ATOM 0 HA GLN B 446 -18.679 12.213 3.594 1.00 0.56 H new ATOM 0 HB2 GLN B 446 -20.360 13.491 5.044 1.00 0.64 H new ATOM 0 HB3 GLN B 446 -19.559 14.985 4.598 1.00 0.64 H new ATOM 0 HG2 GLN B 446 -19.958 14.250 2.117 1.00 1.11 H new ATOM 0 HG3 GLN B 446 -21.065 13.060 2.772 1.00 1.11 H new ATOM 0 HE21 GLN B 446 -23.198 13.767 3.032 1.00 2.40 H new ATOM 0 HE22 GLN B 446 -23.672 15.461 3.189 1.00 2.40 H new ATOM 2447 N GLU B 447 -17.015 15.035 3.398 1.00 0.52 N ATOM 2448 CA GLU B 447 -16.143 15.801 2.460 1.00 0.51 C ATOM 2449 C GLU B 447 -15.097 14.873 1.838 1.00 0.45 C ATOM 2450 O GLU B 447 -14.778 14.975 0.671 1.00 0.45 O ATOM 2451 CB GLU B 447 -15.471 16.867 3.325 1.00 0.53 C ATOM 2452 CG GLU B 447 -16.378 18.096 3.416 1.00 0.80 C ATOM 2453 CD GLU B 447 -16.072 19.042 2.253 1.00 1.32 C ATOM 2454 OE1 GLU B 447 -15.729 18.551 1.191 1.00 1.96 O ATOM 2455 OE2 GLU B 447 -16.188 20.242 2.445 1.00 2.14 O ATOM 0 H GLU B 447 -17.094 15.427 4.336 1.00 0.52 H new ATOM 0 HA GLU B 447 -16.706 16.242 1.637 1.00 0.51 H new ATOM 0 HB2 GLU B 447 -15.275 16.472 4.322 1.00 0.53 H new ATOM 0 HB3 GLU B 447 -14.507 17.144 2.897 1.00 0.53 H new ATOM 0 HG2 GLU B 447 -17.424 17.792 3.386 1.00 0.80 H new ATOM 0 HG3 GLU B 447 -16.222 18.607 4.366 1.00 0.80 H new ATOM 2462 N ALA B 448 -14.565 13.965 2.609 1.00 0.43 N ATOM 2463 CA ALA B 448 -13.544 13.028 2.061 1.00 0.39 C ATOM 2464 C ALA B 448 -14.104 12.303 0.834 1.00 0.40 C ATOM 2465 O ALA B 448 -13.368 11.806 0.004 1.00 0.40 O ATOM 2466 CB ALA B 448 -13.268 12.036 3.191 1.00 0.39 C ATOM 0 H ALA B 448 -14.793 13.831 3.594 1.00 0.43 H new ATOM 0 HA ALA B 448 -12.637 13.542 1.743 1.00 0.39 H new ATOM 0 HB1 ALA B 448 -12.523 11.310 2.864 1.00 0.39 H new ATOM 0 HB2 ALA B 448 -12.894 12.573 4.063 1.00 0.39 H new ATOM 0 HB3 ALA B 448 -14.190 11.517 3.453 1.00 0.39 H new ATOM 2472 N ALA B 449 -15.403 12.238 0.713 1.00 0.44 N ATOM 2473 CA ALA B 449 -16.010 11.545 -0.461 1.00 0.47 C ATOM 2474 C ALA B 449 -15.463 12.139 -1.761 1.00 0.48 C ATOM 2475 O ALA B 449 -14.784 11.476 -2.521 1.00 0.49 O ATOM 2476 CB ALA B 449 -17.512 11.805 -0.342 1.00 0.52 C ATOM 0 H ALA B 449 -16.070 12.634 1.375 1.00 0.44 H new ATOM 0 HA ALA B 449 -15.783 10.479 -0.477 1.00 0.47 H new ATOM 0 HB1 ALA B 449 -18.031 11.326 -1.172 1.00 0.52 H new ATOM 0 HB2 ALA B 449 -17.879 11.396 0.600 1.00 0.52 H new ATOM 0 HB3 ALA B 449 -17.699 12.879 -0.369 1.00 0.52 H new ATOM 2482 N ARG B 450 -15.752 13.384 -2.023 1.00 0.49 N ATOM 2483 CA ARG B 450 -15.246 14.021 -3.272 1.00 0.52 C ATOM 2484 C ARG B 450 -13.716 14.003 -3.285 1.00 0.49 C ATOM 2485 O ARG B 450 -13.094 13.812 -4.312 1.00 0.50 O ATOM 2486 CB ARG B 450 -15.769 15.457 -3.225 1.00 0.57 C ATOM 2487 CG ARG B 450 -16.023 15.958 -4.647 1.00 0.78 C ATOM 2488 CD ARG B 450 -17.358 16.706 -4.694 1.00 1.37 C ATOM 2489 NE ARG B 450 -17.302 17.512 -5.946 1.00 1.76 N ATOM 2490 CZ ARG B 450 -18.396 18.030 -6.438 1.00 2.35 C ATOM 2491 NH1 ARG B 450 -19.231 18.657 -5.656 1.00 2.97 N ATOM 2492 NH2 ARG B 450 -18.652 17.921 -7.712 1.00 2.93 N ATOM 0 H ARG B 450 -16.317 13.988 -1.426 1.00 0.49 H new ATOM 0 HA ARG B 450 -15.578 13.499 -4.170 1.00 0.52 H new ATOM 0 HB2 ARG B 450 -16.690 15.500 -2.644 1.00 0.57 H new ATOM 0 HB3 ARG B 450 -15.046 16.102 -2.725 1.00 0.57 H new ATOM 0 HG2 ARG B 450 -15.214 16.617 -4.962 1.00 0.78 H new ATOM 0 HG3 ARG B 450 -16.040 15.119 -5.342 1.00 0.78 H new ATOM 0 HD2 ARG B 450 -18.199 16.013 -4.708 1.00 1.37 H new ATOM 0 HD3 ARG B 450 -17.485 17.344 -3.819 1.00 1.37 H new ATOM 0 HE ARG B 450 -16.410 17.659 -6.419 1.00 1.76 H new ATOM 0 HH11 ARG B 450 -19.030 18.743 -4.660 1.00 2.97 H new ATOM 0 HH12 ARG B 450 -20.085 19.061 -6.041 1.00 2.97 H new ATOM 0 HH21 ARG B 450 -17.998 17.432 -8.323 1.00 2.93 H new ATOM 0 HH22 ARG B 450 -19.506 18.325 -8.097 1.00 2.93 H new ATOM 2506 N LEU B 451 -13.104 14.199 -2.150 1.00 0.48 N ATOM 2507 CA LEU B 451 -11.614 14.191 -2.093 1.00 0.47 C ATOM 2508 C LEU B 451 -11.075 12.873 -2.653 1.00 0.44 C ATOM 2509 O LEU B 451 -9.974 12.809 -3.165 1.00 0.48 O ATOM 2510 CB LEU B 451 -11.273 14.325 -0.609 1.00 0.46 C ATOM 2511 CG LEU B 451 -11.043 15.798 -0.268 1.00 0.53 C ATOM 2512 CD1 LEU B 451 -11.633 16.103 1.110 1.00 0.92 C ATOM 2513 CD2 LEU B 451 -9.540 16.086 -0.253 1.00 1.04 C ATOM 0 H LEU B 451 -13.571 14.365 -1.258 1.00 0.48 H new ATOM 0 HA LEU B 451 -11.172 14.993 -2.684 1.00 0.47 H new ATOM 0 HB2 LEU B 451 -12.083 13.923 -0.001 1.00 0.46 H new ATOM 0 HB3 LEU B 451 -10.381 13.744 -0.376 1.00 0.46 H new ATOM 0 HG LEU B 451 -11.528 16.424 -1.016 1.00 0.53 H new ATOM 0 HD11 LEU B 451 -11.468 17.153 1.352 1.00 0.92 H new ATOM 0 HD12 LEU B 451 -12.703 15.896 1.102 1.00 0.92 H new ATOM 0 HD13 LEU B 451 -11.148 15.478 1.860 1.00 0.92 H new ATOM 0 HD21 LEU B 451 -9.373 17.135 -0.010 1.00 1.04 H new ATOM 0 HD22 LEU B 451 -9.057 15.459 0.496 1.00 1.04 H new ATOM 0 HD23 LEU B 451 -9.118 15.869 -1.234 1.00 1.04 H new ATOM 2525 N LEU B 452 -11.842 11.821 -2.562 1.00 0.42 N ATOM 2526 CA LEU B 452 -11.375 10.508 -3.091 1.00 0.40 C ATOM 2527 C LEU B 452 -12.237 10.074 -4.282 1.00 0.46 C ATOM 2528 O LEU B 452 -12.198 8.935 -4.703 1.00 0.51 O ATOM 2529 CB LEU B 452 -11.543 9.525 -1.931 1.00 0.37 C ATOM 2530 CG LEU B 452 -10.758 10.018 -0.713 1.00 0.35 C ATOM 2531 CD1 LEU B 452 -11.520 9.655 0.563 1.00 0.31 C ATOM 2532 CD2 LEU B 452 -9.382 9.350 -0.691 1.00 0.43 C ATOM 0 H LEU B 452 -12.772 11.814 -2.144 1.00 0.42 H new ATOM 0 HA LEU B 452 -10.344 10.555 -3.443 1.00 0.40 H new ATOM 0 HB2 LEU B 452 -12.598 9.424 -1.678 1.00 0.37 H new ATOM 0 HB3 LEU B 452 -11.190 8.537 -2.226 1.00 0.37 H new ATOM 0 HG LEU B 452 -10.637 11.100 -0.770 1.00 0.35 H new ATOM 0 HD11 LEU B 452 -10.963 10.005 1.432 1.00 0.31 H new ATOM 0 HD12 LEU B 452 -12.502 10.128 0.547 1.00 0.31 H new ATOM 0 HD13 LEU B 452 -11.639 8.573 0.620 1.00 0.31 H new ATOM 0 HD21 LEU B 452 -8.821 9.700 0.176 1.00 0.43 H new ATOM 0 HD22 LEU B 452 -9.504 8.268 -0.632 1.00 0.43 H new ATOM 0 HD23 LEU B 452 -8.839 9.605 -1.601 1.00 0.43 H new ATOM 2544 N GLY B 453 -13.021 10.968 -4.828 1.00 0.50 N ATOM 2545 CA GLY B 453 -13.882 10.593 -5.987 1.00 0.56 C ATOM 2546 C GLY B 453 -14.739 9.384 -5.613 1.00 0.58 C ATOM 2547 O GLY B 453 -14.858 8.437 -6.364 1.00 0.68 O ATOM 0 H GLY B 453 -13.101 11.938 -4.522 1.00 0.50 H new ATOM 0 HA2 GLY B 453 -14.519 11.432 -6.267 1.00 0.56 H new ATOM 0 HA3 GLY B 453 -13.263 10.360 -6.853 1.00 0.56 H new ATOM 2551 N TRP B 454 -15.329 9.409 -4.453 1.00 0.54 N ATOM 2552 CA TRP B 454 -16.175 8.259 -4.017 1.00 0.60 C ATOM 2553 C TRP B 454 -17.645 8.678 -3.928 1.00 0.69 C ATOM 2554 O TRP B 454 -18.444 8.371 -4.790 1.00 1.16 O ATOM 2555 CB TRP B 454 -15.649 7.890 -2.627 1.00 0.53 C ATOM 2556 CG TRP B 454 -14.529 6.899 -2.734 1.00 0.52 C ATOM 2557 CD1 TRP B 454 -13.756 6.697 -3.831 1.00 0.58 C ATOM 2558 CD2 TRP B 454 -14.040 5.978 -1.716 1.00 0.50 C ATOM 2559 NE1 TRP B 454 -12.827 5.708 -3.553 1.00 0.58 N ATOM 2560 CE2 TRP B 454 -12.958 5.232 -2.266 1.00 0.52 C ATOM 2561 CE3 TRP B 454 -14.427 5.715 -0.377 1.00 0.51 C ATOM 2562 CZ2 TRP B 454 -12.280 4.256 -1.510 1.00 0.52 C ATOM 2563 CZ3 TRP B 454 -13.749 4.734 0.387 1.00 0.53 C ATOM 2564 CH2 TRP B 454 -12.677 4.007 -0.180 1.00 0.51 C ATOM 0 H TRP B 454 -15.264 10.177 -3.784 1.00 0.54 H new ATOM 0 HA TRP B 454 -16.123 7.425 -4.717 1.00 0.60 H new ATOM 0 HB2 TRP B 454 -15.301 8.787 -2.114 1.00 0.53 H new ATOM 0 HB3 TRP B 454 -16.456 7.472 -2.026 1.00 0.53 H new ATOM 0 HD1 TRP B 454 -13.850 7.223 -4.770 1.00 0.58 H new ATOM 0 HE1 TRP B 454 -12.131 5.373 -4.219 1.00 0.58 H new ATOM 0 HE3 TRP B 454 -15.245 6.267 0.063 1.00 0.51 H new ATOM 0 HZ2 TRP B 454 -11.462 3.702 -1.946 1.00 0.52 H new ATOM 0 HZ3 TRP B 454 -14.052 4.541 1.406 1.00 0.53 H new ATOM 0 HH2 TRP B 454 -12.162 3.260 0.406 1.00 0.51 H new ATOM 2575 N GLY B 455 -18.003 9.369 -2.882 1.00 0.72 N ATOM 2576 CA GLY B 455 -19.418 9.804 -2.715 1.00 0.72 C ATOM 2577 C GLY B 455 -19.886 9.420 -1.311 1.00 0.70 C ATOM 2578 O GLY B 455 -19.089 9.102 -0.455 1.00 0.64 O ATOM 0 H GLY B 455 -17.373 9.653 -2.132 1.00 0.72 H new ATOM 0 HA2 GLY B 455 -19.502 10.881 -2.860 1.00 0.72 H new ATOM 0 HA3 GLY B 455 -20.050 9.331 -3.467 1.00 0.72 H new ATOM 2582 N ALA B 456 -21.165 9.440 -1.063 1.00 0.77 N ATOM 2583 CA ALA B 456 -21.659 9.067 0.295 1.00 0.77 C ATOM 2584 C ALA B 456 -21.944 7.563 0.353 1.00 0.82 C ATOM 2585 O ALA B 456 -21.920 6.957 1.407 1.00 0.83 O ATOM 2586 CB ALA B 456 -22.946 9.868 0.486 1.00 0.84 C ATOM 0 H ALA B 456 -21.887 9.696 -1.736 1.00 0.77 H new ATOM 0 HA ALA B 456 -20.930 9.284 1.076 1.00 0.77 H new ATOM 0 HB1 ALA B 456 -23.370 9.647 1.465 1.00 0.84 H new ATOM 0 HB2 ALA B 456 -22.725 10.933 0.419 1.00 0.84 H new ATOM 0 HB3 ALA B 456 -23.662 9.596 -0.290 1.00 0.84 H new ATOM 2592 N ALA B 457 -22.209 6.957 -0.771 1.00 0.90 N ATOM 2593 CA ALA B 457 -22.490 5.492 -0.780 1.00 0.97 C ATOM 2594 C ALA B 457 -21.183 4.707 -0.639 1.00 0.89 C ATOM 2595 O ALA B 457 -21.096 3.758 0.114 1.00 0.91 O ATOM 2596 CB ALA B 457 -23.135 5.222 -2.139 1.00 1.07 C ATOM 0 H ALA B 457 -22.243 7.411 -1.684 1.00 0.90 H new ATOM 0 HA ALA B 457 -23.136 5.187 0.044 1.00 0.97 H new ATOM 0 HB1 ALA B 457 -23.373 4.162 -2.225 1.00 1.07 H new ATOM 0 HB2 ALA B 457 -24.050 5.808 -2.230 1.00 1.07 H new ATOM 0 HB3 ALA B 457 -22.443 5.504 -2.933 1.00 1.07 H new ATOM 2602 N THR B 458 -20.166 5.100 -1.356 1.00 0.84 N ATOM 2603 CA THR B 458 -18.865 4.379 -1.261 1.00 0.77 C ATOM 2604 C THR B 458 -18.235 4.611 0.116 1.00 0.68 C ATOM 2605 O THR B 458 -17.937 3.680 0.837 1.00 0.67 O ATOM 2606 CB THR B 458 -17.995 4.989 -2.361 1.00 0.76 C ATOM 2607 OG1 THR B 458 -18.710 4.975 -3.589 1.00 0.85 O ATOM 2608 CG2 THR B 458 -16.709 4.175 -2.509 1.00 0.72 C ATOM 0 H THR B 458 -20.180 5.888 -2.003 1.00 0.84 H new ATOM 0 HA THR B 458 -18.977 3.301 -1.382 1.00 0.77 H new ATOM 0 HB THR B 458 -17.743 6.016 -2.097 1.00 0.76 H new ATOM 0 HG1 THR B 458 -18.155 5.367 -4.295 1.00 0.85 H new ATOM 0 HG21 THR B 458 -16.090 4.611 -3.293 1.00 0.72 H new ATOM 0 HG22 THR B 458 -16.161 4.186 -1.567 1.00 0.72 H new ATOM 0 HG23 THR B 458 -16.957 3.147 -2.773 1.00 0.72 H new ATOM 2616 N LEU B 459 -18.034 5.848 0.485 1.00 0.64 N ATOM 2617 CA LEU B 459 -17.426 6.144 1.817 1.00 0.57 C ATOM 2618 C LEU B 459 -18.168 5.385 2.920 1.00 0.60 C ATOM 2619 O LEU B 459 -17.595 5.012 3.926 1.00 0.58 O ATOM 2620 CB LEU B 459 -17.592 7.654 1.995 1.00 0.56 C ATOM 2621 CG LEU B 459 -16.225 8.295 2.238 1.00 0.47 C ATOM 2622 CD1 LEU B 459 -16.278 9.773 1.857 1.00 0.48 C ATOM 2623 CD2 LEU B 459 -15.854 8.171 3.716 1.00 0.46 C ATOM 0 H LEU B 459 -18.264 6.667 -0.078 1.00 0.64 H new ATOM 0 HA LEU B 459 -16.381 5.838 1.874 1.00 0.57 H new ATOM 0 HB2 LEU B 459 -18.055 8.086 1.108 1.00 0.56 H new ATOM 0 HB3 LEU B 459 -18.256 7.861 2.834 1.00 0.56 H new ATOM 0 HG LEU B 459 -15.478 7.786 1.630 1.00 0.47 H new ATOM 0 HD11 LEU B 459 -15.303 10.229 2.031 1.00 0.48 H new ATOM 0 HD12 LEU B 459 -16.540 9.868 0.803 1.00 0.48 H new ATOM 0 HD13 LEU B 459 -17.028 10.279 2.465 1.00 0.48 H new ATOM 0 HD21 LEU B 459 -14.879 8.629 3.886 1.00 0.46 H new ATOM 0 HD22 LEU B 459 -16.604 8.678 4.323 1.00 0.46 H new ATOM 0 HD23 LEU B 459 -15.814 7.118 3.994 1.00 0.46 H new ATOM 2635 N THR B 460 -19.439 5.153 2.741 1.00 0.68 N ATOM 2636 CA THR B 460 -20.217 4.418 3.778 1.00 0.74 C ATOM 2637 C THR B 460 -20.176 2.912 3.500 1.00 0.76 C ATOM 2638 O THR B 460 -19.876 2.119 4.370 1.00 0.75 O ATOM 2639 CB THR B 460 -21.645 4.950 3.651 1.00 0.83 C ATOM 2640 OG1 THR B 460 -21.656 6.345 3.925 1.00 0.82 O ATOM 2641 CG2 THR B 460 -22.554 4.227 4.647 1.00 0.92 C ATOM 0 H THR B 460 -19.973 5.441 1.921 1.00 0.68 H new ATOM 0 HA THR B 460 -19.815 4.566 4.780 1.00 0.74 H new ATOM 0 HB THR B 460 -22.008 4.774 2.638 1.00 0.83 H new ATOM 0 HG1 THR B 460 -21.493 6.842 3.096 1.00 0.82 H new ATOM 0 HG21 THR B 460 -23.571 4.608 4.554 1.00 0.92 H new ATOM 0 HG22 THR B 460 -22.547 3.158 4.436 1.00 0.92 H new ATOM 0 HG23 THR B 460 -22.193 4.400 5.661 1.00 0.92 H new ATOM 2649 N ALA B 461 -20.472 2.513 2.293 1.00 0.81 N ATOM 2650 CA ALA B 461 -20.446 1.060 1.963 1.00 0.85 C ATOM 2651 C ALA B 461 -19.023 0.515 2.103 1.00 0.79 C ATOM 2652 O ALA B 461 -18.818 -0.644 2.401 1.00 0.83 O ATOM 2653 CB ALA B 461 -20.914 0.973 0.510 1.00 0.92 C ATOM 0 H ALA B 461 -20.730 3.129 1.522 1.00 0.81 H new ATOM 0 HA ALA B 461 -21.079 0.473 2.629 1.00 0.85 H new ATOM 0 HB1 ALA B 461 -20.922 -0.070 0.192 1.00 0.92 H new ATOM 0 HB2 ALA B 461 -21.919 1.386 0.426 1.00 0.92 H new ATOM 0 HB3 ALA B 461 -20.235 1.541 -0.126 1.00 0.92 H new ATOM 2659 N LYS B 462 -18.038 1.344 1.891 1.00 0.72 N ATOM 2660 CA LYS B 462 -16.628 0.874 2.012 1.00 0.68 C ATOM 2661 C LYS B 462 -16.272 0.652 3.485 1.00 0.65 C ATOM 2662 O LYS B 462 -15.396 -0.123 3.813 1.00 0.66 O ATOM 2663 CB LYS B 462 -15.781 2.002 1.420 1.00 0.66 C ATOM 2664 CG LYS B 462 -14.357 1.498 1.174 1.00 0.99 C ATOM 2665 CD LYS B 462 -14.216 1.055 -0.283 1.00 0.91 C ATOM 2666 CE LYS B 462 -12.895 0.304 -0.464 1.00 1.31 C ATOM 2667 NZ LYS B 462 -13.228 -0.859 -1.332 1.00 1.39 N ATOM 0 H LYS B 462 -18.148 2.326 1.639 1.00 0.72 H new ATOM 0 HA LYS B 462 -16.462 -0.072 1.497 1.00 0.68 H new ATOM 0 HB2 LYS B 462 -16.221 2.349 0.485 1.00 0.66 H new ATOM 0 HB3 LYS B 462 -15.764 2.853 2.100 1.00 0.66 H new ATOM 0 HG2 LYS B 462 -13.638 2.286 1.397 1.00 0.99 H new ATOM 0 HG3 LYS B 462 -14.134 0.665 1.841 1.00 0.99 H new ATOM 0 HD2 LYS B 462 -15.052 0.414 -0.561 1.00 0.91 H new ATOM 0 HD3 LYS B 462 -14.246 1.922 -0.942 1.00 0.91 H new ATOM 0 HE2 LYS B 462 -12.140 0.939 -0.928 1.00 1.31 H new ATOM 0 HE3 LYS B 462 -12.492 -0.022 0.495 1.00 1.31 H new ATOM 0 HZ1 LYS B 462 -12.371 -1.423 -1.501 1.00 1.39 H new ATOM 0 HZ2 LYS B 462 -13.944 -1.449 -0.862 1.00 1.39 H new ATOM 0 HZ3 LYS B 462 -13.603 -0.518 -2.240 1.00 1.39 H new ATOM 2681 N LEU B 463 -16.946 1.328 4.376 1.00 0.65 N ATOM 2682 CA LEU B 463 -16.646 1.156 5.827 1.00 0.65 C ATOM 2683 C LEU B 463 -17.006 -0.262 6.278 1.00 0.68 C ATOM 2684 O LEU B 463 -16.327 -0.854 7.094 1.00 0.70 O ATOM 2685 CB LEU B 463 -17.526 2.185 6.536 1.00 0.68 C ATOM 2686 CG LEU B 463 -17.113 2.288 8.005 1.00 0.81 C ATOM 2687 CD1 LEU B 463 -16.888 3.756 8.369 1.00 0.99 C ATOM 2688 CD2 LEU B 463 -18.220 1.707 8.887 1.00 0.99 C ATOM 0 H LEU B 463 -17.691 1.991 4.162 1.00 0.65 H new ATOM 0 HA LEU B 463 -15.589 1.300 6.051 1.00 0.65 H new ATOM 0 HB2 LEU B 463 -17.429 3.157 6.052 1.00 0.68 H new ATOM 0 HB3 LEU B 463 -18.574 1.895 6.462 1.00 0.68 H new ATOM 0 HG LEU B 463 -16.191 1.729 8.164 1.00 0.81 H new ATOM 0 HD11 LEU B 463 -16.594 3.830 9.416 1.00 0.99 H new ATOM 0 HD12 LEU B 463 -16.100 4.170 7.740 1.00 0.99 H new ATOM 0 HD13 LEU B 463 -17.810 4.316 8.211 1.00 0.99 H new ATOM 0 HD21 LEU B 463 -17.927 1.780 9.934 1.00 0.99 H new ATOM 0 HD22 LEU B 463 -19.142 2.266 8.729 1.00 0.99 H new ATOM 0 HD23 LEU B 463 -18.381 0.661 8.627 1.00 0.99 H new ATOM 2700 N LYS B 464 -18.068 -0.812 5.755 1.00 0.72 N ATOM 2701 CA LYS B 464 -18.467 -2.192 6.156 1.00 0.77 C ATOM 2702 C LYS B 464 -17.765 -3.223 5.270 1.00 0.76 C ATOM 2703 O LYS B 464 -17.332 -4.260 5.731 1.00 0.82 O ATOM 2704 CB LYS B 464 -19.981 -2.245 5.945 1.00 0.85 C ATOM 2705 CG LYS B 464 -20.664 -2.654 7.252 1.00 1.20 C ATOM 2706 CD LYS B 464 -21.976 -3.376 6.938 1.00 1.62 C ATOM 2707 CE LYS B 464 -21.753 -4.889 7.002 1.00 2.25 C ATOM 2708 NZ LYS B 464 -22.509 -5.339 8.204 1.00 2.66 N ATOM 0 H LYS B 464 -18.676 -0.366 5.068 1.00 0.72 H new ATOM 0 HA LYS B 464 -18.192 -2.418 7.186 1.00 0.77 H new ATOM 0 HB2 LYS B 464 -20.348 -1.272 5.620 1.00 0.85 H new ATOM 0 HB3 LYS B 464 -20.224 -2.957 5.157 1.00 0.85 H new ATOM 0 HG2 LYS B 464 -20.008 -3.305 7.830 1.00 1.20 H new ATOM 0 HG3 LYS B 464 -20.859 -1.773 7.864 1.00 1.20 H new ATOM 0 HD2 LYS B 464 -22.746 -3.081 7.651 1.00 1.62 H new ATOM 0 HD3 LYS B 464 -22.332 -3.092 5.948 1.00 1.62 H new ATOM 0 HE2 LYS B 464 -22.117 -5.380 6.100 1.00 2.25 H new ATOM 0 HE3 LYS B 464 -20.693 -5.129 7.090 1.00 2.25 H new ATOM 0 HZ1 LYS B 464 -22.404 -6.368 8.315 1.00 2.66 H new ATOM 0 HZ2 LYS B 464 -22.136 -4.860 9.048 1.00 2.66 H new ATOM 0 HZ3 LYS B 464 -23.516 -5.104 8.089 1.00 2.66 H new ATOM 2722 N GLU B 465 -17.648 -2.947 4.000 1.00 0.73 N ATOM 2723 CA GLU B 465 -16.973 -3.912 3.085 1.00 0.76 C ATOM 2724 C GLU B 465 -15.558 -4.213 3.587 1.00 0.69 C ATOM 2725 O GLU B 465 -15.205 -5.349 3.834 1.00 0.85 O ATOM 2726 CB GLU B 465 -16.923 -3.204 1.731 1.00 0.79 C ATOM 2727 CG GLU B 465 -17.425 -4.152 0.639 1.00 1.12 C ATOM 2728 CD GLU B 465 -18.459 -3.431 -0.229 1.00 1.42 C ATOM 2729 OE1 GLU B 465 -19.399 -2.889 0.331 1.00 2.03 O ATOM 2730 OE2 GLU B 465 -18.294 -3.432 -1.437 1.00 1.94 O ATOM 0 H GLU B 465 -17.991 -2.095 3.556 1.00 0.73 H new ATOM 0 HA GLU B 465 -17.499 -4.865 3.027 1.00 0.76 H new ATOM 0 HB2 GLU B 465 -17.538 -2.304 1.757 1.00 0.79 H new ATOM 0 HB3 GLU B 465 -15.903 -2.888 1.512 1.00 0.79 H new ATOM 0 HG2 GLU B 465 -16.591 -4.490 0.024 1.00 1.12 H new ATOM 0 HG3 GLU B 465 -17.869 -5.040 1.089 1.00 1.12 H new ATOM 2737 N LEU B 466 -14.745 -3.204 3.740 1.00 0.56 N ATOM 2738 CA LEU B 466 -13.354 -3.434 4.227 1.00 0.59 C ATOM 2739 C LEU B 466 -13.378 -4.221 5.540 1.00 0.70 C ATOM 2740 O LEU B 466 -12.425 -4.888 5.892 1.00 0.81 O ATOM 2741 CB LEU B 466 -12.775 -2.036 4.447 1.00 0.56 C ATOM 2742 CG LEU B 466 -12.305 -1.463 3.110 1.00 0.54 C ATOM 2743 CD1 LEU B 466 -11.885 -0.005 3.297 1.00 0.62 C ATOM 2744 CD2 LEU B 466 -11.112 -2.274 2.600 1.00 0.52 C ATOM 0 H LEU B 466 -14.983 -2.231 3.549 1.00 0.56 H new ATOM 0 HA LEU B 466 -12.759 -4.014 3.521 1.00 0.59 H new ATOM 0 HB2 LEU B 466 -13.528 -1.384 4.889 1.00 0.56 H new ATOM 0 HB3 LEU B 466 -11.942 -2.082 5.148 1.00 0.56 H new ATOM 0 HG LEU B 466 -13.119 -1.516 2.387 1.00 0.54 H new ATOM 0 HD11 LEU B 466 -11.550 0.402 2.343 1.00 0.62 H new ATOM 0 HD12 LEU B 466 -12.734 0.574 3.661 1.00 0.62 H new ATOM 0 HD13 LEU B 466 -11.071 0.049 4.020 1.00 0.62 H new ATOM 0 HD21 LEU B 466 -10.776 -1.866 1.647 1.00 0.52 H new ATOM 0 HD22 LEU B 466 -10.299 -2.220 3.324 1.00 0.52 H new ATOM 0 HD23 LEU B 466 -11.410 -3.314 2.465 1.00 0.52 H new ATOM 2756 N GLY B 467 -14.460 -4.151 6.264 1.00 0.77 N ATOM 2757 CA GLY B 467 -14.545 -4.898 7.551 1.00 0.97 C ATOM 2758 C GLY B 467 -15.037 -6.320 7.280 1.00 1.08 C ATOM 2759 O GLY B 467 -14.529 -7.279 7.827 1.00 1.38 O ATOM 0 H GLY B 467 -15.289 -3.609 6.021 1.00 0.77 H new ATOM 0 HA2 GLY B 467 -13.568 -4.925 8.034 1.00 0.97 H new ATOM 0 HA3 GLY B 467 -15.225 -4.390 8.235 1.00 0.97 H new