USER MOD reduce.3.24.130724 H: found=0, std=0, add=1054, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1050 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 420 ASN : amide:sc= -0.384 X(o=-0.38,f=-0.4) USER MOD Set 1.2: B 423 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 420 ASN : amide:sc= -0.382 X(o=-0.38,f=-0.35) USER MOD Set 2.2: A 423 SER OG : rot 180:sc= 0 USER MOD Single : A 404 THR OG1 : rot 180:sc= 0.09 USER MOD Single : A 408 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 416 SER OG : rot -44:sc= 0.617 USER MOD Single : A 418 HIS : no HE2:sc= -2.32 K(o=-2.3,f=-7.8!) USER MOD Single : A 419 GLN : amide:sc= -0.0154 X(o=-0.015,f=0) USER MOD Single : A 426 GLN : amide:sc= -0.189 K(o=-0.19,f=-4.5!) USER MOD Single : A 432 THR OG1 : rot 91:sc= 0.915 USER MOD Single : A 435 THR OG1 : rot 89:sc= 0.598 USER MOD Single : A 436 THR OG1 : rot 89:sc= 1.25 USER MOD Single : A 440 HIS : no HD1:sc= -0.303 K(o=-0.3,f=-0.91) USER MOD Single : A 441 THR OG1 : rot 118:sc= 0.269 USER MOD Single : A 442 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.0014) USER MOD Single : A 444 HIS : no HD1:sc= -0.0049 X(o=-0.0049,f=-0.0093) USER MOD Single : A 445 LYS NZ :NH3+ -138:sc= -0.0648 (180deg=-0.235) USER MOD Single : A 446 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 460 THR OG1 : rot 110:sc= 1.16 USER MOD Single : A 462 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 464 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.204) USER MOD Single : B 404 THR OG1 : rot 104:sc= 0.0869 USER MOD Single : B 408 GLN : amide:sc=-0.00101 X(o=-0.001,f=-0.45) USER MOD Single : B 416 SER OG : rot -45:sc= 0.609 USER MOD Single : B 418 HIS : no HE2:sc= -2.38 K(o=-2.4,f=-8.2!) USER MOD Single : B 419 GLN : amide:sc= -0.0118 X(o=-0.012,f=0) USER MOD Single : B 426 GLN : amide:sc= -0.185 K(o=-0.18,f=-4.6!) USER MOD Single : B 432 THR OG1 : rot 91:sc= 0.901 USER MOD Single : B 435 THR OG1 : rot 89:sc= 0.642 USER MOD Single : B 436 THR OG1 : rot 75:sc= 1.3 USER MOD Single : B 440 HIS : no HD1:sc= -0.236 K(o=-0.24,f=-0.91) USER MOD Single : B 441 THR OG1 : rot 118:sc= 0.266 USER MOD Single : B 442 GLN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : B 444 HIS : no HD1:sc=-0.00825 X(o=-0.0082,f=0) USER MOD Single : B 445 LYS NZ :NH3+ -140:sc= -0.0449 (180deg=-0.246) USER MOD Single : B 446 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 458 THR OG1 : rot 180:sc= 0 USER MOD Single : B 460 THR OG1 : rot 132:sc= 1.1 USER MOD Single : B 462 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 464 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.203) USER MOD ----------------------------------------------------------------- ATOM 325 N TRP A 402 5.463 3.185 3.299 1.00 0.95 N ATOM 326 CA TRP A 402 4.238 3.427 2.484 1.00 0.86 C ATOM 327 C TRP A 402 3.352 4.531 3.067 1.00 0.79 C ATOM 328 O TRP A 402 3.243 5.601 2.508 1.00 0.71 O ATOM 329 CB TRP A 402 3.494 2.098 2.531 1.00 0.96 C ATOM 330 CG TRP A 402 3.206 1.648 1.148 1.00 0.84 C ATOM 331 CD1 TRP A 402 4.084 1.010 0.353 1.00 0.94 C ATOM 332 CD2 TRP A 402 1.980 1.797 0.385 1.00 0.76 C ATOM 333 NE1 TRP A 402 3.478 0.742 -0.864 1.00 1.00 N ATOM 334 CE2 TRP A 402 2.175 1.208 -0.897 1.00 0.83 C ATOM 335 CE3 TRP A 402 0.719 2.380 0.677 1.00 0.78 C ATOM 336 CZ2 TRP A 402 1.151 1.198 -1.862 1.00 0.83 C ATOM 337 CZ3 TRP A 402 -0.313 2.372 -0.291 1.00 0.72 C ATOM 338 CH2 TRP A 402 -0.097 1.782 -1.558 1.00 0.69 C ATOM 0 HA TRP A 402 4.496 3.756 1.477 1.00 0.86 H new ATOM 0 HB2 TRP A 402 4.093 1.351 3.051 1.00 0.96 H new ATOM 0 HB3 TRP A 402 2.565 2.208 3.091 1.00 0.96 H new ATOM 0 HD1 TRP A 402 5.097 0.749 0.620 1.00 0.94 H new ATOM 0 HE1 TRP A 402 3.935 0.261 -1.639 1.00 1.00 H new ATOM 0 HE3 TRP A 402 0.547 2.832 1.643 1.00 0.78 H new ATOM 0 HZ2 TRP A 402 1.319 0.746 -2.829 1.00 0.83 H new ATOM 0 HZ3 TRP A 402 -1.269 2.818 -0.061 1.00 0.72 H new ATOM 0 HH2 TRP A 402 -0.888 1.778 -2.293 1.00 0.69 H new ATOM 349 N ALA A 403 2.686 4.260 4.164 1.00 0.85 N ATOM 350 CA ALA A 403 1.763 5.274 4.769 1.00 0.85 C ATOM 351 C ALA A 403 2.377 6.677 4.749 1.00 0.80 C ATOM 352 O ALA A 403 1.713 7.643 4.435 1.00 0.76 O ATOM 353 CB ALA A 403 1.544 4.803 6.208 1.00 0.99 C ATOM 0 H ALA A 403 2.742 3.376 4.669 1.00 0.85 H new ATOM 0 HA ALA A 403 0.830 5.347 4.210 1.00 0.85 H new ATOM 0 HB1 ALA A 403 0.876 5.496 6.720 1.00 0.99 H new ATOM 0 HB2 ALA A 403 1.099 3.808 6.201 1.00 0.99 H new ATOM 0 HB3 ALA A 403 2.501 4.769 6.729 1.00 0.99 H new ATOM 359 N THR A 404 3.634 6.802 5.067 1.00 0.82 N ATOM 360 CA THR A 404 4.265 8.152 5.040 1.00 0.81 C ATOM 361 C THR A 404 4.270 8.670 3.602 1.00 0.70 C ATOM 362 O THR A 404 4.069 9.842 3.348 1.00 0.68 O ATOM 363 CB THR A 404 5.691 7.943 5.543 1.00 0.89 C ATOM 364 OG1 THR A 404 5.705 6.895 6.504 1.00 1.07 O ATOM 365 CG2 THR A 404 6.202 9.233 6.186 1.00 0.89 C ATOM 0 H THR A 404 4.248 6.036 5.342 1.00 0.82 H new ATOM 0 HA THR A 404 3.733 8.880 5.653 1.00 0.81 H new ATOM 0 HB THR A 404 6.336 7.677 4.705 1.00 0.89 H new ATOM 0 HG1 THR A 404 6.620 6.759 6.826 1.00 1.07 H new ATOM 0 HG21 THR A 404 7.220 9.082 6.545 1.00 0.89 H new ATOM 0 HG22 THR A 404 6.192 10.036 5.449 1.00 0.89 H new ATOM 0 HG23 THR A 404 5.558 9.502 7.024 1.00 0.89 H new ATOM 373 N LEU A 405 4.484 7.795 2.659 1.00 0.67 N ATOM 374 CA LEU A 405 4.487 8.211 1.230 1.00 0.61 C ATOM 375 C LEU A 405 3.048 8.468 0.772 1.00 0.53 C ATOM 376 O LEU A 405 2.801 9.212 -0.156 1.00 0.52 O ATOM 377 CB LEU A 405 5.099 7.018 0.480 1.00 0.67 C ATOM 378 CG LEU A 405 5.297 7.340 -1.011 1.00 0.65 C ATOM 379 CD1 LEU A 405 3.947 7.305 -1.728 1.00 0.57 C ATOM 380 CD2 LEU A 405 5.931 8.728 -1.181 1.00 0.64 C ATOM 0 H LEU A 405 4.658 6.803 2.819 1.00 0.67 H new ATOM 0 HA LEU A 405 5.048 9.128 1.051 1.00 0.61 H new ATOM 0 HB2 LEU A 405 6.057 6.756 0.928 1.00 0.67 H new ATOM 0 HB3 LEU A 405 4.450 6.148 0.584 1.00 0.67 H new ATOM 0 HG LEU A 405 5.963 6.593 -1.444 1.00 0.65 H new ATOM 0 HD11 LEU A 405 4.090 7.533 -2.784 1.00 0.57 H new ATOM 0 HD12 LEU A 405 3.507 6.313 -1.628 1.00 0.57 H new ATOM 0 HD13 LEU A 405 3.280 8.044 -1.284 1.00 0.57 H new ATOM 0 HD21 LEU A 405 6.064 8.940 -2.242 1.00 0.64 H new ATOM 0 HD22 LEU A 405 5.280 9.482 -0.739 1.00 0.64 H new ATOM 0 HD23 LEU A 405 6.900 8.749 -0.683 1.00 0.64 H new ATOM 392 N LEU A 406 2.099 7.852 1.422 1.00 0.53 N ATOM 393 CA LEU A 406 0.676 8.046 1.039 1.00 0.50 C ATOM 394 C LEU A 406 0.110 9.284 1.738 1.00 0.49 C ATOM 395 O LEU A 406 -0.817 9.909 1.263 1.00 0.45 O ATOM 396 CB LEU A 406 -0.032 6.774 1.513 1.00 0.58 C ATOM 397 CG LEU A 406 -1.109 6.376 0.501 1.00 0.60 C ATOM 398 CD1 LEU A 406 -0.466 6.129 -0.864 1.00 0.94 C ATOM 399 CD2 LEU A 406 -1.805 5.097 0.970 1.00 1.02 C ATOM 0 H LEU A 406 2.252 7.219 2.207 1.00 0.53 H new ATOM 0 HA LEU A 406 0.545 8.205 -0.031 1.00 0.50 H new ATOM 0 HB2 LEU A 406 0.690 5.965 1.627 1.00 0.58 H new ATOM 0 HB3 LEU A 406 -0.482 6.940 2.492 1.00 0.58 H new ATOM 0 HG LEU A 406 -1.839 7.181 0.419 1.00 0.60 H new ATOM 0 HD11 LEU A 406 -1.235 5.846 -1.583 1.00 0.94 H new ATOM 0 HD12 LEU A 406 0.030 7.039 -1.203 1.00 0.94 H new ATOM 0 HD13 LEU A 406 0.266 5.326 -0.781 1.00 0.94 H new ATOM 0 HD21 LEU A 406 -2.572 4.815 0.249 1.00 1.02 H new ATOM 0 HD22 LEU A 406 -1.073 4.294 1.054 1.00 1.02 H new ATOM 0 HD23 LEU A 406 -2.267 5.270 1.942 1.00 1.02 H new ATOM 411 N ALA A 407 0.667 9.648 2.861 1.00 0.56 N ATOM 412 CA ALA A 407 0.170 10.849 3.585 1.00 0.59 C ATOM 413 C ALA A 407 0.678 12.111 2.885 1.00 0.57 C ATOM 414 O ALA A 407 -0.048 13.068 2.702 1.00 0.61 O ATOM 415 CB ALA A 407 0.757 10.736 4.992 1.00 0.70 C ATOM 0 H ALA A 407 1.446 9.164 3.308 1.00 0.56 H new ATOM 0 HA ALA A 407 -0.918 10.907 3.610 1.00 0.59 H new ATOM 0 HB1 ALA A 407 0.435 11.588 5.590 1.00 0.70 H new ATOM 0 HB2 ALA A 407 0.410 9.814 5.458 1.00 0.70 H new ATOM 0 HB3 ALA A 407 1.845 10.725 4.932 1.00 0.70 H new ATOM 421 N GLN A 408 1.920 12.112 2.483 1.00 0.57 N ATOM 422 CA GLN A 408 2.477 13.302 1.783 1.00 0.57 C ATOM 423 C GLN A 408 2.001 13.316 0.329 1.00 0.50 C ATOM 424 O GLN A 408 1.741 14.357 -0.241 1.00 0.50 O ATOM 425 CB GLN A 408 3.995 13.128 1.852 1.00 0.62 C ATOM 426 CG GLN A 408 4.515 13.696 3.174 1.00 0.75 C ATOM 427 CD GLN A 408 5.775 14.524 2.912 1.00 0.78 C ATOM 428 OE1 GLN A 408 5.726 15.737 2.896 1.00 1.29 O ATOM 429 NE2 GLN A 408 6.910 13.914 2.704 1.00 1.46 N ATOM 0 H GLN A 408 2.573 11.339 2.610 1.00 0.57 H new ATOM 0 HA GLN A 408 2.158 14.241 2.235 1.00 0.57 H new ATOM 0 HB2 GLN A 408 4.255 12.073 1.770 1.00 0.62 H new ATOM 0 HB3 GLN A 408 4.469 13.638 1.013 1.00 0.62 H new ATOM 0 HG2 GLN A 408 3.750 14.316 3.642 1.00 0.75 H new ATOM 0 HG3 GLN A 408 4.737 12.886 3.868 1.00 0.75 H new ATOM 0 HE21 GLN A 408 6.951 12.895 2.717 1.00 1.46 H new ATOM 0 HE22 GLN A 408 7.756 14.456 2.528 1.00 1.46 H new ATOM 438 N TRP A 409 1.874 12.162 -0.270 1.00 0.46 N ATOM 439 CA TRP A 409 1.405 12.104 -1.684 1.00 0.43 C ATOM 440 C TRP A 409 -0.066 12.524 -1.753 1.00 0.40 C ATOM 441 O TRP A 409 -0.433 13.421 -2.486 1.00 0.41 O ATOM 442 CB TRP A 409 1.583 10.636 -2.093 1.00 0.43 C ATOM 443 CG TRP A 409 0.921 10.382 -3.412 1.00 0.42 C ATOM 444 CD1 TRP A 409 1.379 10.818 -4.610 1.00 0.50 C ATOM 445 CD2 TRP A 409 -0.303 9.642 -3.684 1.00 0.40 C ATOM 446 NE1 TRP A 409 0.512 10.394 -5.604 1.00 0.53 N ATOM 447 CE2 TRP A 409 -0.541 9.666 -5.089 1.00 0.47 C ATOM 448 CE3 TRP A 409 -1.230 8.956 -2.856 1.00 0.39 C ATOM 449 CZ2 TRP A 409 -1.661 9.030 -5.655 1.00 0.50 C ATOM 450 CZ3 TRP A 409 -2.359 8.315 -3.422 1.00 0.43 C ATOM 451 CH2 TRP A 409 -2.573 8.351 -4.820 1.00 0.48 C ATOM 0 H TRP A 409 2.075 11.258 0.159 1.00 0.46 H new ATOM 0 HA TRP A 409 1.956 12.773 -2.346 1.00 0.43 H new ATOM 0 HB2 TRP A 409 2.644 10.395 -2.158 1.00 0.43 H new ATOM 0 HB3 TRP A 409 1.155 9.984 -1.331 1.00 0.43 H new ATOM 0 HD1 TRP A 409 2.275 11.401 -4.765 1.00 0.50 H new ATOM 0 HE1 TRP A 409 0.637 10.596 -6.596 1.00 0.53 H new ATOM 0 HE3 TRP A 409 -1.073 8.923 -1.788 1.00 0.39 H new ATOM 0 HZ2 TRP A 409 -1.822 9.061 -6.723 1.00 0.50 H new ATOM 0 HZ3 TRP A 409 -3.059 7.797 -2.784 1.00 0.43 H new ATOM 0 HH2 TRP A 409 -3.434 7.859 -5.248 1.00 0.48 H new ATOM 462 N ALA A 410 -0.910 11.883 -0.993 1.00 0.42 N ATOM 463 CA ALA A 410 -2.352 12.249 -1.013 1.00 0.44 C ATOM 464 C ALA A 410 -2.518 13.730 -0.661 1.00 0.45 C ATOM 465 O ALA A 410 -3.472 14.370 -1.054 1.00 0.47 O ATOM 466 CB ALA A 410 -2.999 11.365 0.053 1.00 0.51 C ATOM 0 H ALA A 410 -0.663 11.122 -0.360 1.00 0.42 H new ATOM 0 HA ALA A 410 -2.807 12.100 -1.992 1.00 0.44 H new ATOM 0 HB1 ALA A 410 -4.067 11.575 0.101 1.00 0.51 H new ATOM 0 HB2 ALA A 410 -2.847 10.316 -0.202 1.00 0.51 H new ATOM 0 HB3 ALA A 410 -2.545 11.572 1.022 1.00 0.51 H new ATOM 472 N ASP A 411 -1.587 14.278 0.073 1.00 0.48 N ATOM 473 CA ASP A 411 -1.683 15.718 0.447 1.00 0.53 C ATOM 474 C ASP A 411 -1.249 16.595 -0.729 1.00 0.53 C ATOM 475 O ASP A 411 -1.946 17.509 -1.125 1.00 0.58 O ATOM 476 CB ASP A 411 -0.721 15.887 1.625 1.00 0.60 C ATOM 477 CG ASP A 411 -0.910 17.273 2.245 1.00 1.03 C ATOM 478 OD1 ASP A 411 -1.437 18.138 1.566 1.00 1.78 O ATOM 479 OD2 ASP A 411 -0.524 17.445 3.390 1.00 1.51 O ATOM 0 H ASP A 411 -0.765 13.791 0.429 1.00 0.48 H new ATOM 0 HA ASP A 411 -2.700 16.012 0.707 1.00 0.53 H new ATOM 0 HB2 ASP A 411 -0.905 15.115 2.372 1.00 0.60 H new ATOM 0 HB3 ASP A 411 0.308 15.765 1.288 1.00 0.60 H new ATOM 484 N ARG A 412 -0.103 16.323 -1.293 1.00 0.51 N ATOM 485 CA ARG A 412 0.371 17.142 -2.446 1.00 0.56 C ATOM 486 C ARG A 412 -0.680 17.141 -3.556 1.00 0.55 C ATOM 487 O ARG A 412 -0.919 18.141 -4.202 1.00 0.63 O ATOM 488 CB ARG A 412 1.653 16.457 -2.919 1.00 0.58 C ATOM 489 CG ARG A 412 2.732 17.512 -3.173 1.00 0.96 C ATOM 490 CD ARG A 412 4.109 16.919 -2.865 1.00 1.50 C ATOM 491 NE ARG A 412 4.606 17.693 -1.694 1.00 1.90 N ATOM 492 CZ ARG A 412 5.638 17.264 -1.019 1.00 2.41 C ATOM 493 NH1 ARG A 412 6.846 17.476 -1.467 1.00 3.02 N ATOM 494 NH2 ARG A 412 5.463 16.623 0.104 1.00 2.89 N ATOM 0 H ARG A 412 0.524 15.571 -1.006 1.00 0.51 H new ATOM 0 HA ARG A 412 0.545 18.183 -2.172 1.00 0.56 H new ATOM 0 HB2 ARG A 412 1.995 15.745 -2.168 1.00 0.58 H new ATOM 0 HB3 ARG A 412 1.461 15.891 -3.831 1.00 0.58 H new ATOM 0 HG2 ARG A 412 2.692 17.846 -4.210 1.00 0.96 H new ATOM 0 HG3 ARG A 412 2.554 18.388 -2.549 1.00 0.96 H new ATOM 0 HD2 ARG A 412 4.039 15.856 -2.635 1.00 1.50 H new ATOM 0 HD3 ARG A 412 4.781 17.017 -3.718 1.00 1.50 H new ATOM 0 HE ARG A 412 4.140 18.558 -1.419 1.00 1.90 H new ATOM 0 HH11 ARG A 412 6.984 17.977 -2.345 1.00 3.02 H new ATOM 0 HH12 ARG A 412 7.652 17.141 -0.939 1.00 3.02 H new ATOM 0 HH21 ARG A 412 4.520 16.457 0.455 1.00 2.89 H new ATOM 0 HH22 ARG A 412 6.269 16.288 0.631 1.00 2.89 H new ATOM 508 N ALA A 413 -1.312 16.023 -3.777 1.00 0.50 N ATOM 509 CA ALA A 413 -2.353 15.951 -4.841 1.00 0.53 C ATOM 510 C ALA A 413 -3.606 16.709 -4.398 1.00 0.57 C ATOM 511 O ALA A 413 -4.272 17.345 -5.191 1.00 0.66 O ATOM 512 CB ALA A 413 -2.653 14.461 -5.001 1.00 0.53 C ATOM 0 H ALA A 413 -1.153 15.154 -3.266 1.00 0.50 H new ATOM 0 HA ALA A 413 -2.023 16.400 -5.778 1.00 0.53 H new ATOM 0 HB1 ALA A 413 -3.413 14.323 -5.770 1.00 0.53 H new ATOM 0 HB2 ALA A 413 -1.743 13.936 -5.292 1.00 0.53 H new ATOM 0 HB3 ALA A 413 -3.017 14.059 -4.055 1.00 0.53 H new ATOM 518 N LEU A 414 -3.930 16.651 -3.134 1.00 0.54 N ATOM 519 CA LEU A 414 -5.137 17.373 -2.640 1.00 0.61 C ATOM 520 C LEU A 414 -5.025 18.862 -2.974 1.00 0.71 C ATOM 521 O LEU A 414 -5.981 19.492 -3.380 1.00 0.82 O ATOM 522 CB LEU A 414 -5.134 17.163 -1.124 1.00 0.63 C ATOM 523 CG LEU A 414 -6.467 16.555 -0.689 1.00 0.71 C ATOM 524 CD1 LEU A 414 -6.555 15.110 -1.186 1.00 1.11 C ATOM 525 CD2 LEU A 414 -6.559 16.574 0.838 1.00 1.04 C ATOM 0 H LEU A 414 -3.411 16.135 -2.423 1.00 0.54 H new ATOM 0 HA LEU A 414 -6.056 17.008 -3.098 1.00 0.61 H new ATOM 0 HB2 LEU A 414 -4.313 16.506 -0.839 1.00 0.63 H new ATOM 0 HB3 LEU A 414 -4.973 18.113 -0.615 1.00 0.63 H new ATOM 0 HG LEU A 414 -7.287 17.135 -1.112 1.00 0.71 H new ATOM 0 HD11 LEU A 414 -7.506 14.676 -0.876 1.00 1.11 H new ATOM 0 HD12 LEU A 414 -6.487 15.095 -2.274 1.00 1.11 H new ATOM 0 HD13 LEU A 414 -5.736 14.529 -0.763 1.00 1.11 H new ATOM 0 HD21 LEU A 414 -7.509 16.141 1.151 1.00 1.04 H new ATOM 0 HD22 LEU A 414 -5.739 15.992 1.259 1.00 1.04 H new ATOM 0 HD23 LEU A 414 -6.495 17.602 1.194 1.00 1.04 H new ATOM 537 N ARG A 415 -3.860 19.428 -2.807 1.00 0.73 N ATOM 538 CA ARG A 415 -3.678 20.873 -3.115 1.00 0.86 C ATOM 539 C ARG A 415 -3.247 21.057 -4.575 1.00 0.92 C ATOM 540 O ARG A 415 -2.423 21.894 -4.886 1.00 1.26 O ATOM 541 CB ARG A 415 -2.573 21.343 -2.167 1.00 1.01 C ATOM 542 CG ARG A 415 -2.964 21.017 -0.723 1.00 1.40 C ATOM 543 CD ARG A 415 -2.211 21.945 0.231 1.00 1.61 C ATOM 544 NE ARG A 415 -0.828 21.395 0.293 1.00 2.27 N ATOM 545 CZ ARG A 415 -0.076 21.634 1.331 1.00 2.92 C ATOM 546 NH1 ARG A 415 -0.129 20.845 2.370 1.00 3.70 N ATOM 547 NH2 ARG A 415 0.730 22.660 1.331 1.00 3.32 N ATOM 0 H ARG A 415 -3.025 18.949 -2.469 1.00 0.73 H new ATOM 0 HA ARG A 415 -4.599 21.441 -2.984 1.00 0.86 H new ATOM 0 HB2 ARG A 415 -1.632 20.855 -2.419 1.00 1.01 H new ATOM 0 HB3 ARG A 415 -2.416 22.416 -2.279 1.00 1.01 H new ATOM 0 HG2 ARG A 415 -4.039 21.136 -0.590 1.00 1.40 H new ATOM 0 HG3 ARG A 415 -2.729 19.977 -0.497 1.00 1.40 H new ATOM 0 HD2 ARG A 415 -2.211 22.972 -0.135 1.00 1.61 H new ATOM 0 HD3 ARG A 415 -2.675 21.958 1.217 1.00 1.61 H new ATOM 0 HE ARG A 415 -0.469 20.831 -0.477 1.00 2.27 H new ATOM 0 HH11 ARG A 415 -0.758 20.042 2.369 1.00 3.70 H new ATOM 0 HH12 ARG A 415 0.459 21.031 3.182 1.00 3.70 H new ATOM 0 HH21 ARG A 415 0.772 23.276 0.519 1.00 3.32 H new ATOM 0 HH22 ARG A 415 1.318 22.847 2.143 1.00 3.32 H new ATOM 561 N SER A 416 -3.796 20.283 -5.470 1.00 0.90 N ATOM 562 CA SER A 416 -3.415 20.415 -6.905 1.00 0.99 C ATOM 563 C SER A 416 -4.450 19.719 -7.792 1.00 0.99 C ATOM 564 O SER A 416 -4.147 19.264 -8.876 1.00 1.63 O ATOM 565 CB SER A 416 -2.059 19.722 -7.020 1.00 1.20 C ATOM 566 OG SER A 416 -1.541 19.919 -8.329 1.00 1.69 O ATOM 0 H SER A 416 -4.492 19.565 -5.270 1.00 0.90 H new ATOM 0 HA SER A 416 -3.369 21.456 -7.226 1.00 0.99 H new ATOM 0 HB2 SER A 416 -1.368 20.124 -6.279 1.00 1.20 H new ATOM 0 HB3 SER A 416 -2.163 18.657 -6.814 1.00 1.20 H new ATOM 0 HG SER A 416 -2.253 19.779 -8.987 1.00 1.69 H new ATOM 572 N GLY A 417 -5.671 19.632 -7.338 1.00 1.06 N ATOM 573 CA GLY A 417 -6.723 18.964 -8.154 1.00 1.06 C ATOM 574 C GLY A 417 -6.538 17.448 -8.089 1.00 0.99 C ATOM 575 O GLY A 417 -6.238 16.807 -9.077 1.00 1.31 O ATOM 0 H GLY A 417 -5.985 19.995 -6.438 1.00 1.06 H new ATOM 0 HA2 GLY A 417 -7.712 19.236 -7.784 1.00 1.06 H new ATOM 0 HA3 GLY A 417 -6.665 19.303 -9.188 1.00 1.06 H new ATOM 579 N HIS A 418 -6.714 16.868 -6.933 1.00 0.78 N ATOM 580 CA HIS A 418 -6.547 15.392 -6.807 1.00 0.87 C ATOM 581 C HIS A 418 -7.668 14.665 -7.556 1.00 0.89 C ATOM 582 O HIS A 418 -8.578 15.278 -8.078 1.00 1.17 O ATOM 583 CB HIS A 418 -6.638 15.110 -5.307 1.00 1.01 C ATOM 584 CG HIS A 418 -7.973 15.573 -4.789 1.00 1.68 C ATOM 585 ND1 HIS A 418 -8.170 16.853 -4.293 1.00 2.18 N ATOM 586 CD2 HIS A 418 -9.186 14.940 -4.683 1.00 2.31 C ATOM 587 CE1 HIS A 418 -9.457 16.948 -3.916 1.00 2.86 C ATOM 588 NE2 HIS A 418 -10.122 15.810 -4.131 1.00 2.97 N ATOM 0 H HIS A 418 -6.966 17.352 -6.071 1.00 0.78 H new ATOM 0 HA HIS A 418 -5.605 15.047 -7.232 1.00 0.87 H new ATOM 0 HB2 HIS A 418 -6.513 14.044 -5.118 1.00 1.01 H new ATOM 0 HB3 HIS A 418 -5.834 15.623 -4.780 1.00 1.01 H new ATOM 0 HD1 HIS A 418 -7.466 17.589 -4.226 1.00 2.18 H new ATOM 0 HD2 HIS A 418 -9.384 13.921 -4.982 1.00 2.31 H new ATOM 0 HE1 HIS A 418 -9.899 17.837 -3.491 1.00 2.86 H new ATOM 596 N GLN A 419 -7.608 13.364 -7.609 1.00 1.08 N ATOM 597 CA GLN A 419 -8.669 12.594 -8.322 1.00 1.25 C ATOM 598 C GLN A 419 -8.535 11.102 -8.003 1.00 1.03 C ATOM 599 O GLN A 419 -9.316 10.545 -7.257 1.00 1.28 O ATOM 600 CB GLN A 419 -8.418 12.852 -9.808 1.00 1.71 C ATOM 601 CG GLN A 419 -9.397 12.025 -10.643 1.00 2.33 C ATOM 602 CD GLN A 419 -10.256 12.960 -11.497 1.00 2.91 C ATOM 603 OE1 GLN A 419 -11.463 12.989 -11.359 1.00 3.29 O ATOM 604 NE2 GLN A 419 -9.682 13.731 -12.380 1.00 3.52 N ATOM 0 H GLN A 419 -6.870 12.799 -7.189 1.00 1.08 H new ATOM 0 HA GLN A 419 -9.673 12.896 -8.024 1.00 1.25 H new ATOM 0 HB2 GLN A 419 -8.540 13.912 -10.029 1.00 1.71 H new ATOM 0 HB3 GLN A 419 -7.392 12.589 -10.065 1.00 1.71 H new ATOM 0 HG2 GLN A 419 -8.851 11.331 -11.282 1.00 2.33 H new ATOM 0 HG3 GLN A 419 -10.032 11.425 -9.991 1.00 2.33 H new ATOM 0 HE21 GLN A 419 -8.669 13.707 -12.496 1.00 3.52 H new ATOM 0 HE22 GLN A 419 -10.247 14.357 -12.954 1.00 3.52 H new ATOM 613 N ASN A 420 -7.550 10.453 -8.560 1.00 0.78 N ATOM 614 CA ASN A 420 -7.364 9.001 -8.286 1.00 0.70 C ATOM 615 C ASN A 420 -6.511 8.809 -7.029 1.00 0.58 C ATOM 616 O ASN A 420 -5.430 8.258 -7.079 1.00 0.71 O ATOM 617 CB ASN A 420 -6.641 8.455 -9.518 1.00 0.86 C ATOM 618 CG ASN A 420 -7.653 7.788 -10.450 1.00 1.35 C ATOM 619 OD1 ASN A 420 -8.787 8.214 -10.539 1.00 1.96 O ATOM 620 ND2 ASN A 420 -7.288 6.751 -11.154 1.00 1.88 N ATOM 0 H ASN A 420 -6.866 10.866 -9.193 1.00 0.78 H new ATOM 0 HA ASN A 420 -8.309 8.487 -8.110 1.00 0.70 H new ATOM 0 HB2 ASN A 420 -6.128 9.263 -10.040 1.00 0.86 H new ATOM 0 HB3 ASN A 420 -5.879 7.736 -9.217 1.00 0.86 H new ATOM 0 HD21 ASN A 420 -7.955 6.298 -11.779 1.00 1.88 H new ATOM 0 HD22 ASN A 420 -6.336 6.393 -11.079 1.00 1.88 H new ATOM 627 N LEU A 421 -6.989 9.264 -5.903 1.00 0.45 N ATOM 628 CA LEU A 421 -6.206 9.112 -4.642 1.00 0.40 C ATOM 629 C LEU A 421 -6.157 7.641 -4.221 1.00 0.39 C ATOM 630 O LEU A 421 -5.099 7.067 -4.056 1.00 0.53 O ATOM 631 CB LEU A 421 -6.967 9.938 -3.605 1.00 0.42 C ATOM 632 CG LEU A 421 -6.366 11.342 -3.527 1.00 0.39 C ATOM 633 CD1 LEU A 421 -7.336 12.271 -2.795 1.00 0.50 C ATOM 634 CD2 LEU A 421 -5.042 11.289 -2.764 1.00 0.41 C ATOM 0 H LEU A 421 -7.888 9.735 -5.801 1.00 0.45 H new ATOM 0 HA LEU A 421 -5.174 9.444 -4.755 1.00 0.40 H new ATOM 0 HB2 LEU A 421 -8.021 9.997 -3.875 1.00 0.42 H new ATOM 0 HB3 LEU A 421 -6.914 9.454 -2.630 1.00 0.42 H new ATOM 0 HG LEU A 421 -6.191 11.718 -4.535 1.00 0.39 H new ATOM 0 HD11 LEU A 421 -6.909 13.272 -2.739 1.00 0.50 H new ATOM 0 HD12 LEU A 421 -8.281 12.310 -3.337 1.00 0.50 H new ATOM 0 HD13 LEU A 421 -7.510 11.894 -1.787 1.00 0.50 H new ATOM 0 HD21 LEU A 421 -4.614 12.290 -2.709 1.00 0.41 H new ATOM 0 HD22 LEU A 421 -5.218 10.913 -1.756 1.00 0.41 H new ATOM 0 HD23 LEU A 421 -4.349 10.626 -3.283 1.00 0.41 H new ATOM 646 N LEU A 422 -7.295 7.031 -4.040 1.00 0.33 N ATOM 647 CA LEU A 422 -7.316 5.602 -3.623 1.00 0.34 C ATOM 648 C LEU A 422 -7.281 4.685 -4.849 1.00 0.35 C ATOM 649 O LEU A 422 -6.843 3.556 -4.776 1.00 0.37 O ATOM 650 CB LEU A 422 -8.635 5.434 -2.869 1.00 0.37 C ATOM 651 CG LEU A 422 -8.402 5.663 -1.375 1.00 0.38 C ATOM 652 CD1 LEU A 422 -9.748 5.759 -0.656 1.00 0.58 C ATOM 653 CD2 LEU A 422 -7.599 4.493 -0.801 1.00 0.63 C ATOM 0 H LEU A 422 -8.212 7.461 -4.163 1.00 0.33 H new ATOM 0 HA LEU A 422 -6.454 5.340 -3.010 1.00 0.34 H new ATOM 0 HB2 LEU A 422 -9.374 6.142 -3.245 1.00 0.37 H new ATOM 0 HB3 LEU A 422 -9.037 4.435 -3.036 1.00 0.37 H new ATOM 0 HG LEU A 422 -7.848 6.591 -1.231 1.00 0.38 H new ATOM 0 HD11 LEU A 422 -9.581 5.922 0.409 1.00 0.58 H new ATOM 0 HD12 LEU A 422 -10.321 6.591 -1.065 1.00 0.58 H new ATOM 0 HD13 LEU A 422 -10.303 4.832 -0.798 1.00 0.58 H new ATOM 0 HD21 LEU A 422 -7.432 4.654 0.264 1.00 0.63 H new ATOM 0 HD22 LEU A 422 -8.154 3.566 -0.945 1.00 0.63 H new ATOM 0 HD23 LEU A 422 -6.639 4.425 -1.313 1.00 0.63 H new ATOM 665 N SER A 423 -7.745 5.161 -5.970 1.00 0.35 N ATOM 666 CA SER A 423 -7.745 4.314 -7.199 1.00 0.38 C ATOM 667 C SER A 423 -6.310 3.994 -7.635 1.00 0.36 C ATOM 668 O SER A 423 -6.075 3.064 -8.381 1.00 0.40 O ATOM 669 CB SER A 423 -8.448 5.160 -8.260 1.00 0.44 C ATOM 670 OG SER A 423 -8.465 4.450 -9.491 1.00 1.23 O ATOM 0 H SER A 423 -8.125 6.100 -6.090 1.00 0.35 H new ATOM 0 HA SER A 423 -8.243 3.358 -7.036 1.00 0.38 H new ATOM 0 HB2 SER A 423 -9.466 5.388 -7.944 1.00 0.44 H new ATOM 0 HB3 SER A 423 -7.932 6.112 -8.383 1.00 0.44 H new ATOM 0 HG SER A 423 -8.916 4.989 -10.173 1.00 1.23 H new ATOM 676 N GLU A 424 -5.352 4.754 -7.183 1.00 0.34 N ATOM 677 CA GLU A 424 -3.940 4.487 -7.585 1.00 0.36 C ATOM 678 C GLU A 424 -3.307 3.444 -6.658 1.00 0.32 C ATOM 679 O GLU A 424 -2.719 2.479 -7.105 1.00 0.33 O ATOM 680 CB GLU A 424 -3.226 5.830 -7.446 1.00 0.38 C ATOM 681 CG GLU A 424 -2.538 6.182 -8.767 1.00 0.58 C ATOM 682 CD GLU A 424 -2.122 7.654 -8.750 1.00 0.81 C ATOM 683 OE1 GLU A 424 -2.944 8.486 -9.097 1.00 1.54 O ATOM 684 OE2 GLU A 424 -0.987 7.923 -8.392 1.00 1.22 O ATOM 0 H GLU A 424 -5.483 5.547 -6.554 1.00 0.34 H new ATOM 0 HA GLU A 424 -3.871 4.091 -8.598 1.00 0.36 H new ATOM 0 HB2 GLU A 424 -3.941 6.608 -7.178 1.00 0.38 H new ATOM 0 HB3 GLU A 424 -2.491 5.782 -6.643 1.00 0.38 H new ATOM 0 HG2 GLU A 424 -1.664 5.548 -8.914 1.00 0.58 H new ATOM 0 HG3 GLU A 424 -3.213 5.993 -9.602 1.00 0.58 H new ATOM 691 N ALA A 425 -3.419 3.631 -5.371 1.00 0.31 N ATOM 692 CA ALA A 425 -2.819 2.651 -4.421 1.00 0.29 C ATOM 693 C ALA A 425 -3.691 1.393 -4.329 1.00 0.28 C ATOM 694 O ALA A 425 -3.218 0.320 -4.014 1.00 0.28 O ATOM 695 CB ALA A 425 -2.783 3.379 -3.076 1.00 0.29 C ATOM 0 H ALA A 425 -3.899 4.419 -4.937 1.00 0.31 H new ATOM 0 HA ALA A 425 -1.828 2.324 -4.737 1.00 0.29 H new ATOM 0 HB1 ALA A 425 -2.353 2.723 -2.319 1.00 0.29 H new ATOM 0 HB2 ALA A 425 -2.174 4.279 -3.165 1.00 0.29 H new ATOM 0 HB3 ALA A 425 -3.796 3.655 -2.784 1.00 0.29 H new ATOM 701 N GLN A 426 -4.960 1.519 -4.601 1.00 0.30 N ATOM 702 CA GLN A 426 -5.863 0.334 -4.530 1.00 0.31 C ATOM 703 C GLN A 426 -5.284 -0.845 -5.327 1.00 0.30 C ATOM 704 O GLN A 426 -5.116 -1.921 -4.788 1.00 0.30 O ATOM 705 CB GLN A 426 -7.183 0.799 -5.147 1.00 0.36 C ATOM 706 CG GLN A 426 -8.146 1.217 -4.034 1.00 0.45 C ATOM 707 CD GLN A 426 -9.474 1.665 -4.646 1.00 0.54 C ATOM 708 OE1 GLN A 426 -9.754 2.844 -4.722 1.00 1.23 O ATOM 709 NE2 GLN A 426 -10.311 0.767 -5.087 1.00 1.09 N ATOM 0 H GLN A 426 -5.412 2.393 -4.870 1.00 0.30 H new ATOM 0 HA GLN A 426 -5.989 -0.016 -3.505 1.00 0.31 H new ATOM 0 HB2 GLN A 426 -7.006 1.636 -5.823 1.00 0.36 H new ATOM 0 HB3 GLN A 426 -7.622 -0.003 -5.740 1.00 0.36 H new ATOM 0 HG2 GLN A 426 -8.312 0.384 -3.351 1.00 0.45 H new ATOM 0 HG3 GLN A 426 -7.712 2.028 -3.449 1.00 0.45 H new ATOM 0 HE21 GLN A 426 -10.076 -0.224 -5.023 1.00 1.09 H new ATOM 0 HE22 GLN A 426 -11.200 1.055 -5.495 1.00 1.09 H new ATOM 718 N PRO A 427 -5.001 -0.615 -6.588 1.00 0.32 N ATOM 719 CA PRO A 427 -4.442 -1.696 -7.441 1.00 0.34 C ATOM 720 C PRO A 427 -3.021 -2.054 -6.995 1.00 0.31 C ATOM 721 O PRO A 427 -2.510 -3.108 -7.314 1.00 0.35 O ATOM 722 CB PRO A 427 -4.451 -1.091 -8.844 1.00 0.39 C ATOM 723 CG PRO A 427 -4.422 0.385 -8.623 1.00 0.38 C ATOM 724 CD PRO A 427 -5.161 0.641 -7.336 1.00 0.35 C ATOM 0 HA PRO A 427 -5.011 -2.624 -7.386 1.00 0.34 H new ATOM 0 HB2 PRO A 427 -3.588 -1.421 -9.423 1.00 0.39 H new ATOM 0 HB3 PRO A 427 -5.340 -1.391 -9.398 1.00 0.39 H new ATOM 0 HG2 PRO A 427 -3.396 0.747 -8.559 1.00 0.38 H new ATOM 0 HG3 PRO A 427 -4.895 0.911 -9.453 1.00 0.38 H new ATOM 0 HD2 PRO A 427 -4.739 1.487 -6.793 1.00 0.35 H new ATOM 0 HD3 PRO A 427 -6.212 0.869 -7.516 1.00 0.35 H new ATOM 732 N GLU A 428 -2.384 -1.194 -6.247 1.00 0.29 N ATOM 733 CA GLU A 428 -1.005 -1.503 -5.774 1.00 0.29 C ATOM 734 C GLU A 428 -1.073 -2.569 -4.676 1.00 0.27 C ATOM 735 O GLU A 428 -0.279 -3.487 -4.636 1.00 0.32 O ATOM 736 CB GLU A 428 -0.466 -0.186 -5.216 1.00 0.29 C ATOM 737 CG GLU A 428 0.813 0.200 -5.963 1.00 0.71 C ATOM 738 CD GLU A 428 1.002 1.717 -5.906 1.00 1.37 C ATOM 739 OE1 GLU A 428 1.394 2.206 -4.860 1.00 2.07 O ATOM 740 OE2 GLU A 428 0.750 2.364 -6.909 1.00 2.12 O ATOM 0 H GLU A 428 -2.757 -0.294 -5.944 1.00 0.29 H new ATOM 0 HA GLU A 428 -0.365 -1.890 -6.567 1.00 0.29 H new ATOM 0 HB2 GLU A 428 -1.214 0.600 -5.323 1.00 0.29 H new ATOM 0 HB3 GLU A 428 -0.261 -0.287 -4.150 1.00 0.29 H new ATOM 0 HG2 GLU A 428 1.672 -0.301 -5.517 1.00 0.71 H new ATOM 0 HG3 GLU A 428 0.755 -0.131 -7.000 1.00 0.71 H new ATOM 747 N LEU A 429 -2.027 -2.455 -3.794 1.00 0.26 N ATOM 748 CA LEU A 429 -2.166 -3.461 -2.703 1.00 0.26 C ATOM 749 C LEU A 429 -2.688 -4.778 -3.286 1.00 0.25 C ATOM 750 O LEU A 429 -2.240 -5.849 -2.929 1.00 0.28 O ATOM 751 CB LEU A 429 -3.185 -2.848 -1.732 1.00 0.26 C ATOM 752 CG LEU A 429 -3.629 -3.893 -0.702 1.00 0.29 C ATOM 753 CD1 LEU A 429 -2.459 -4.233 0.219 1.00 0.45 C ATOM 754 CD2 LEU A 429 -4.782 -3.331 0.129 1.00 0.56 C ATOM 0 H LEU A 429 -2.719 -1.706 -3.782 1.00 0.26 H new ATOM 0 HA LEU A 429 -1.222 -3.683 -2.206 1.00 0.26 H new ATOM 0 HB2 LEU A 429 -2.744 -1.990 -1.224 1.00 0.26 H new ATOM 0 HB3 LEU A 429 -4.050 -2.481 -2.285 1.00 0.26 H new ATOM 0 HG LEU A 429 -3.957 -4.794 -1.220 1.00 0.29 H new ATOM 0 HD11 LEU A 429 -2.776 -4.976 0.951 1.00 0.45 H new ATOM 0 HD12 LEU A 429 -1.635 -4.634 -0.372 1.00 0.45 H new ATOM 0 HD13 LEU A 429 -2.129 -3.332 0.736 1.00 0.45 H new ATOM 0 HD21 LEU A 429 -5.098 -4.074 0.862 1.00 0.56 H new ATOM 0 HD22 LEU A 429 -4.453 -2.429 0.645 1.00 0.56 H new ATOM 0 HD23 LEU A 429 -5.619 -3.089 -0.526 1.00 0.56 H new ATOM 766 N GLU A 430 -3.635 -4.702 -4.181 1.00 0.27 N ATOM 767 CA GLU A 430 -4.188 -5.945 -4.790 1.00 0.28 C ATOM 768 C GLU A 430 -3.142 -6.602 -5.692 1.00 0.30 C ATOM 769 O GLU A 430 -3.057 -7.809 -5.779 1.00 0.33 O ATOM 770 CB GLU A 430 -5.389 -5.479 -5.615 1.00 0.30 C ATOM 771 CG GLU A 430 -6.234 -6.689 -6.017 1.00 0.61 C ATOM 772 CD GLU A 430 -5.832 -7.152 -7.418 1.00 1.45 C ATOM 773 OE1 GLU A 430 -4.737 -7.671 -7.557 1.00 2.05 O ATOM 774 OE2 GLU A 430 -6.626 -6.982 -8.328 1.00 2.18 O ATOM 0 H GLU A 430 -4.050 -3.833 -4.517 1.00 0.27 H new ATOM 0 HA GLU A 430 -4.469 -6.684 -4.039 1.00 0.28 H new ATOM 0 HB2 GLU A 430 -5.991 -4.778 -5.036 1.00 0.30 H new ATOM 0 HB3 GLU A 430 -5.049 -4.948 -6.504 1.00 0.30 H new ATOM 0 HG2 GLU A 430 -6.092 -7.498 -5.301 1.00 0.61 H new ATOM 0 HG3 GLU A 430 -7.292 -6.429 -5.999 1.00 0.61 H new ATOM 781 N ARG A 431 -2.345 -5.818 -6.365 1.00 0.33 N ATOM 782 CA ARG A 431 -1.307 -6.405 -7.262 1.00 0.37 C ATOM 783 C ARG A 431 -0.290 -7.211 -6.449 1.00 0.36 C ATOM 784 O ARG A 431 -0.043 -8.369 -6.719 1.00 0.38 O ATOM 785 CB ARG A 431 -0.632 -5.203 -7.924 1.00 0.41 C ATOM 786 CG ARG A 431 0.463 -5.694 -8.873 1.00 0.59 C ATOM 787 CD ARG A 431 1.261 -4.498 -9.397 1.00 1.32 C ATOM 788 NE ARG A 431 0.800 -4.314 -10.801 1.00 1.56 N ATOM 789 CZ ARG A 431 1.672 -4.165 -11.760 1.00 2.19 C ATOM 790 NH1 ARG A 431 2.687 -3.362 -11.600 1.00 2.78 N ATOM 791 NH2 ARG A 431 1.529 -4.821 -12.880 1.00 2.87 N ATOM 0 H ARG A 431 -2.367 -4.799 -6.333 1.00 0.33 H new ATOM 0 HA ARG A 431 -1.736 -7.089 -7.994 1.00 0.37 H new ATOM 0 HB2 ARG A 431 -1.368 -4.616 -8.473 1.00 0.41 H new ATOM 0 HB3 ARG A 431 -0.204 -4.549 -7.165 1.00 0.41 H new ATOM 0 HG2 ARG A 431 1.125 -6.387 -8.353 1.00 0.59 H new ATOM 0 HG3 ARG A 431 0.019 -6.241 -9.705 1.00 0.59 H new ATOM 0 HD2 ARG A 431 1.073 -3.606 -8.800 1.00 1.32 H new ATOM 0 HD3 ARG A 431 2.333 -4.690 -9.355 1.00 1.32 H new ATOM 0 HE ARG A 431 -0.198 -4.304 -11.013 1.00 1.56 H new ATOM 0 HH11 ARG A 431 2.799 -2.850 -10.725 1.00 2.78 H new ATOM 0 HH12 ARG A 431 3.369 -3.246 -12.350 1.00 2.78 H new ATOM 0 HH21 ARG A 431 0.736 -5.450 -13.005 1.00 2.87 H new ATOM 0 HH22 ARG A 431 2.211 -4.705 -13.630 1.00 2.87 H new ATOM 805 N THR A 432 0.304 -6.606 -5.458 1.00 0.41 N ATOM 806 CA THR A 432 1.308 -7.336 -4.632 1.00 0.45 C ATOM 807 C THR A 432 0.705 -8.630 -4.077 1.00 0.40 C ATOM 808 O THR A 432 1.209 -9.711 -4.309 1.00 0.56 O ATOM 809 CB THR A 432 1.656 -6.377 -3.494 1.00 0.53 C ATOM 810 OG1 THR A 432 1.914 -5.085 -4.026 1.00 0.61 O ATOM 811 CG2 THR A 432 2.898 -6.885 -2.759 1.00 0.62 C ATOM 0 H THR A 432 0.138 -5.638 -5.184 1.00 0.41 H new ATOM 0 HA THR A 432 2.187 -7.621 -5.211 1.00 0.45 H new ATOM 0 HB THR A 432 0.820 -6.322 -2.797 1.00 0.53 H new ATOM 0 HG1 THR A 432 1.081 -4.569 -4.049 1.00 0.61 H new ATOM 0 HG21 THR A 432 3.146 -6.201 -1.948 1.00 0.62 H new ATOM 0 HG22 THR A 432 2.699 -7.876 -2.350 1.00 0.62 H new ATOM 0 HG23 THR A 432 3.735 -6.941 -3.455 1.00 0.62 H new ATOM 819 N LEU A 433 -0.366 -8.528 -3.340 1.00 0.33 N ATOM 820 CA LEU A 433 -0.996 -9.751 -2.764 1.00 0.30 C ATOM 821 C LEU A 433 -1.392 -10.727 -3.876 1.00 0.27 C ATOM 822 O LEU A 433 -1.107 -11.906 -3.809 1.00 0.25 O ATOM 823 CB LEU A 433 -2.238 -9.245 -2.029 1.00 0.37 C ATOM 824 CG LEU A 433 -2.285 -9.859 -0.628 1.00 0.42 C ATOM 825 CD1 LEU A 433 -2.327 -11.383 -0.739 1.00 0.41 C ATOM 826 CD2 LEU A 433 -1.039 -9.437 0.152 1.00 0.44 C ATOM 0 H LEU A 433 -0.833 -7.651 -3.111 1.00 0.33 H new ATOM 0 HA LEU A 433 -0.317 -10.289 -2.102 1.00 0.30 H new ATOM 0 HB2 LEU A 433 -2.216 -8.157 -1.961 1.00 0.37 H new ATOM 0 HB3 LEU A 433 -3.137 -9.511 -2.585 1.00 0.37 H new ATOM 0 HG LEU A 433 -3.177 -9.510 -0.107 1.00 0.42 H new ATOM 0 HD11 LEU A 433 -2.360 -11.820 0.259 1.00 0.41 H new ATOM 0 HD12 LEU A 433 -3.214 -11.683 -1.296 1.00 0.41 H new ATOM 0 HD13 LEU A 433 -1.436 -11.735 -1.259 1.00 0.41 H new ATOM 0 HD21 LEU A 433 -1.070 -9.873 1.151 1.00 0.44 H new ATOM 0 HD22 LEU A 433 -0.148 -9.786 -0.369 1.00 0.44 H new ATOM 0 HD23 LEU A 433 -1.010 -8.350 0.231 1.00 0.44 H new ATOM 838 N LEU A 434 -2.052 -10.247 -4.896 1.00 0.32 N ATOM 839 CA LEU A 434 -2.470 -11.152 -6.008 1.00 0.32 C ATOM 840 C LEU A 434 -1.283 -11.986 -6.498 1.00 0.29 C ATOM 841 O LEU A 434 -1.326 -13.199 -6.502 1.00 0.30 O ATOM 842 CB LEU A 434 -2.962 -10.220 -7.116 1.00 0.41 C ATOM 843 CG LEU A 434 -3.445 -11.051 -8.304 1.00 0.65 C ATOM 844 CD1 LEU A 434 -4.954 -11.276 -8.188 1.00 0.84 C ATOM 845 CD2 LEU A 434 -3.142 -10.304 -9.604 1.00 1.14 C ATOM 0 H LEU A 434 -2.320 -9.269 -5.008 1.00 0.32 H new ATOM 0 HA LEU A 434 -3.240 -11.856 -5.693 1.00 0.32 H new ATOM 0 HB2 LEU A 434 -3.772 -9.592 -6.745 1.00 0.41 H new ATOM 0 HB3 LEU A 434 -2.159 -9.553 -7.428 1.00 0.41 H new ATOM 0 HG LEU A 434 -2.932 -12.013 -8.308 1.00 0.65 H new ATOM 0 HD11 LEU A 434 -5.300 -11.869 -9.035 1.00 0.84 H new ATOM 0 HD12 LEU A 434 -5.173 -11.806 -7.261 1.00 0.84 H new ATOM 0 HD13 LEU A 434 -5.466 -10.314 -8.185 1.00 0.84 H new ATOM 0 HD21 LEU A 434 -3.486 -10.896 -10.452 1.00 1.14 H new ATOM 0 HD22 LEU A 434 -3.656 -9.343 -9.600 1.00 1.14 H new ATOM 0 HD23 LEU A 434 -2.068 -10.140 -9.688 1.00 1.14 H new ATOM 857 N THR A 435 -0.223 -11.347 -6.913 1.00 0.34 N ATOM 858 CA THR A 435 0.960 -12.111 -7.401 1.00 0.37 C ATOM 859 C THR A 435 1.474 -13.044 -6.302 1.00 0.35 C ATOM 860 O THR A 435 1.902 -14.151 -6.564 1.00 0.39 O ATOM 861 CB THR A 435 2.009 -11.052 -7.739 1.00 0.45 C ATOM 862 OG1 THR A 435 1.418 -10.044 -8.547 1.00 0.52 O ATOM 863 CG2 THR A 435 3.168 -11.703 -8.496 1.00 0.55 C ATOM 0 H THR A 435 -0.125 -10.332 -6.935 1.00 0.34 H new ATOM 0 HA THR A 435 0.721 -12.734 -8.263 1.00 0.37 H new ATOM 0 HB THR A 435 2.386 -10.605 -6.819 1.00 0.45 H new ATOM 0 HG1 THR A 435 1.035 -9.348 -7.973 1.00 0.52 H new ATOM 0 HG21 THR A 435 3.916 -10.947 -8.737 1.00 0.55 H new ATOM 0 HG22 THR A 435 3.620 -12.476 -7.874 1.00 0.55 H new ATOM 0 HG23 THR A 435 2.795 -12.151 -9.417 1.00 0.55 H new ATOM 871 N THR A 436 1.438 -12.608 -5.073 1.00 0.33 N ATOM 872 CA THR A 436 1.926 -13.475 -3.962 1.00 0.36 C ATOM 873 C THR A 436 1.082 -14.748 -3.880 1.00 0.36 C ATOM 874 O THR A 436 1.538 -15.825 -4.208 1.00 0.40 O ATOM 875 CB THR A 436 1.760 -12.633 -2.696 1.00 0.38 C ATOM 876 OG1 THR A 436 2.591 -11.485 -2.781 1.00 0.39 O ATOM 877 CG2 THR A 436 2.158 -13.462 -1.474 1.00 0.49 C ATOM 0 H THR A 436 1.093 -11.691 -4.790 1.00 0.33 H new ATOM 0 HA THR A 436 2.960 -13.789 -4.105 1.00 0.36 H new ATOM 0 HB THR A 436 0.719 -12.323 -2.599 1.00 0.38 H new ATOM 0 HG1 THR A 436 2.099 -10.757 -3.214 1.00 0.39 H new ATOM 0 HG21 THR A 436 2.039 -12.861 -0.572 1.00 0.49 H new ATOM 0 HG22 THR A 436 1.520 -14.344 -1.409 1.00 0.49 H new ATOM 0 HG23 THR A 436 3.198 -13.773 -1.568 1.00 0.49 H new ATOM 885 N ALA A 437 -0.148 -14.639 -3.452 1.00 0.34 N ATOM 886 CA ALA A 437 -1.013 -15.851 -3.361 1.00 0.36 C ATOM 887 C ALA A 437 -1.008 -16.594 -4.699 1.00 0.36 C ATOM 888 O ALA A 437 -0.997 -17.807 -4.744 1.00 0.41 O ATOM 889 CB ALA A 437 -2.410 -15.322 -3.038 1.00 0.35 C ATOM 0 H ALA A 437 -0.590 -13.766 -3.163 1.00 0.34 H new ATOM 0 HA ALA A 437 -0.667 -16.555 -2.604 1.00 0.36 H new ATOM 0 HB1 ALA A 437 -3.105 -16.157 -2.955 1.00 0.35 H new ATOM 0 HB2 ALA A 437 -2.383 -14.777 -2.094 1.00 0.35 H new ATOM 0 HB3 ALA A 437 -2.739 -14.654 -3.834 1.00 0.35 H new ATOM 895 N LEU A 438 -1.002 -15.878 -5.792 1.00 0.34 N ATOM 896 CA LEU A 438 -0.979 -16.564 -7.113 1.00 0.36 C ATOM 897 C LEU A 438 0.297 -17.397 -7.222 1.00 0.42 C ATOM 898 O LEU A 438 0.291 -18.489 -7.752 1.00 0.46 O ATOM 899 CB LEU A 438 -0.994 -15.450 -8.167 1.00 0.36 C ATOM 900 CG LEU A 438 -0.738 -16.050 -9.559 1.00 0.41 C ATOM 901 CD1 LEU A 438 -1.726 -17.191 -9.828 1.00 0.42 C ATOM 902 CD2 LEU A 438 -0.922 -14.971 -10.627 1.00 0.45 C ATOM 0 H LEU A 438 -1.012 -14.859 -5.826 1.00 0.34 H new ATOM 0 HA LEU A 438 -1.827 -17.236 -7.248 1.00 0.36 H new ATOM 0 HB2 LEU A 438 -1.955 -14.936 -8.153 1.00 0.36 H new ATOM 0 HB3 LEU A 438 -0.231 -14.706 -7.935 1.00 0.36 H new ATOM 0 HG LEU A 438 0.281 -16.435 -9.594 1.00 0.41 H new ATOM 0 HD11 LEU A 438 -1.537 -17.610 -10.816 1.00 0.42 H new ATOM 0 HD12 LEU A 438 -1.599 -17.968 -9.074 1.00 0.42 H new ATOM 0 HD13 LEU A 438 -2.745 -16.807 -9.785 1.00 0.42 H new ATOM 0 HD21 LEU A 438 -0.740 -15.400 -11.612 1.00 0.45 H new ATOM 0 HD22 LEU A 438 -1.940 -14.584 -10.582 1.00 0.45 H new ATOM 0 HD23 LEU A 438 -0.217 -14.159 -10.449 1.00 0.45 H new ATOM 914 N ARG A 439 1.395 -16.897 -6.713 1.00 0.43 N ATOM 915 CA ARG A 439 2.666 -17.676 -6.781 1.00 0.51 C ATOM 916 C ARG A 439 2.421 -19.089 -6.253 1.00 0.54 C ATOM 917 O ARG A 439 2.887 -20.064 -6.809 1.00 0.61 O ATOM 918 CB ARG A 439 3.648 -16.923 -5.881 1.00 0.52 C ATOM 919 CG ARG A 439 5.042 -17.538 -6.019 1.00 0.77 C ATOM 920 CD ARG A 439 5.227 -18.634 -4.966 1.00 1.28 C ATOM 921 NE ARG A 439 6.535 -18.333 -4.322 1.00 1.74 N ATOM 922 CZ ARG A 439 7.476 -19.238 -4.300 1.00 2.28 C ATOM 923 NH1 ARG A 439 7.709 -19.963 -5.360 1.00 2.89 N ATOM 924 NH2 ARG A 439 8.184 -19.417 -3.219 1.00 2.82 N ATOM 0 H ARG A 439 1.465 -15.988 -6.256 1.00 0.43 H new ATOM 0 HA ARG A 439 3.050 -17.769 -7.797 1.00 0.51 H new ATOM 0 HB2 ARG A 439 3.675 -15.869 -6.157 1.00 0.52 H new ATOM 0 HB3 ARG A 439 3.318 -16.973 -4.843 1.00 0.52 H new ATOM 0 HG2 ARG A 439 5.169 -17.955 -7.018 1.00 0.77 H new ATOM 0 HG3 ARG A 439 5.804 -16.768 -5.895 1.00 0.77 H new ATOM 0 HD2 ARG A 439 4.416 -18.622 -4.237 1.00 1.28 H new ATOM 0 HD3 ARG A 439 5.230 -19.624 -5.423 1.00 1.28 H new ATOM 0 HE ARG A 439 6.696 -17.420 -3.898 1.00 1.74 H new ATOM 0 HH11 ARG A 439 7.156 -19.823 -6.206 1.00 2.89 H new ATOM 0 HH12 ARG A 439 8.444 -20.670 -5.343 1.00 2.89 H new ATOM 0 HH21 ARG A 439 8.003 -18.850 -2.391 1.00 2.82 H new ATOM 0 HH22 ARG A 439 8.919 -20.124 -3.202 1.00 2.82 H new ATOM 938 N HIS A 440 1.663 -19.206 -5.196 1.00 0.52 N ATOM 939 CA HIS A 440 1.354 -20.554 -4.650 1.00 0.57 C ATOM 940 C HIS A 440 0.680 -21.379 -5.746 1.00 0.58 C ATOM 941 O HIS A 440 0.823 -22.583 -5.821 1.00 0.64 O ATOM 942 CB HIS A 440 0.390 -20.298 -3.490 1.00 0.56 C ATOM 943 CG HIS A 440 -0.016 -21.611 -2.881 1.00 0.63 C ATOM 944 ND1 HIS A 440 0.795 -22.734 -2.942 1.00 1.04 N ATOM 945 CD2 HIS A 440 -1.142 -21.999 -2.201 1.00 0.82 C ATOM 946 CE1 HIS A 440 0.150 -23.734 -2.314 1.00 0.96 C ATOM 947 NE2 HIS A 440 -1.036 -23.339 -1.843 1.00 0.75 N ATOM 0 H HIS A 440 1.246 -18.425 -4.689 1.00 0.52 H new ATOM 0 HA HIS A 440 2.236 -21.100 -4.317 1.00 0.57 H new ATOM 0 HB2 HIS A 440 0.866 -19.668 -2.739 1.00 0.56 H new ATOM 0 HB3 HIS A 440 -0.490 -19.761 -3.845 1.00 0.56 H new ATOM 0 HD2 HIS A 440 -1.984 -21.361 -1.977 1.00 0.82 H new ATOM 0 HE1 HIS A 440 0.543 -24.734 -2.204 1.00 0.96 H new ATOM 0 HE2 HIS A 440 -1.717 -23.899 -1.331 1.00 0.75 H new ATOM 955 N THR A 441 -0.041 -20.718 -6.608 1.00 0.54 N ATOM 956 CA THR A 441 -0.726 -21.419 -7.730 1.00 0.55 C ATOM 957 C THR A 441 -0.352 -20.732 -9.046 1.00 0.56 C ATOM 958 O THR A 441 -1.207 -20.374 -9.833 1.00 0.55 O ATOM 959 CB THR A 441 -2.226 -21.266 -7.455 1.00 0.53 C ATOM 960 OG1 THR A 441 -2.596 -19.905 -7.619 1.00 0.48 O ATOM 961 CG2 THR A 441 -2.545 -21.713 -6.026 1.00 0.54 C ATOM 0 H THR A 441 -0.187 -19.709 -6.582 1.00 0.54 H new ATOM 0 HA THR A 441 -0.443 -22.469 -7.805 1.00 0.55 H new ATOM 0 HB THR A 441 -2.785 -21.887 -8.155 1.00 0.53 H new ATOM 0 HG1 THR A 441 -3.253 -19.829 -8.343 1.00 0.48 H new ATOM 0 HG21 THR A 441 -3.613 -21.601 -5.840 1.00 0.54 H new ATOM 0 HG22 THR A 441 -2.263 -22.758 -5.900 1.00 0.54 H new ATOM 0 HG23 THR A 441 -1.987 -21.099 -5.319 1.00 0.54 H new ATOM 969 N GLN A 442 0.924 -20.527 -9.269 1.00 0.59 N ATOM 970 CA GLN A 442 1.399 -19.841 -10.514 1.00 0.62 C ATOM 971 C GLN A 442 0.596 -20.277 -11.744 1.00 0.64 C ATOM 972 O GLN A 442 0.550 -21.441 -12.092 1.00 0.69 O ATOM 973 CB GLN A 442 2.861 -20.267 -10.656 1.00 0.69 C ATOM 974 CG GLN A 442 3.628 -19.208 -11.451 1.00 1.43 C ATOM 975 CD GLN A 442 3.907 -19.730 -12.862 1.00 1.79 C ATOM 976 OE1 GLN A 442 3.493 -19.131 -13.835 1.00 2.16 O ATOM 977 NE2 GLN A 442 4.595 -20.828 -13.015 1.00 2.47 N ATOM 0 H GLN A 442 1.668 -20.810 -8.631 1.00 0.59 H new ATOM 0 HA GLN A 442 1.277 -18.760 -10.445 1.00 0.62 H new ATOM 0 HB2 GLN A 442 3.311 -20.394 -9.671 1.00 0.69 H new ATOM 0 HB3 GLN A 442 2.922 -21.231 -11.161 1.00 0.69 H new ATOM 0 HG2 GLN A 442 3.049 -18.286 -11.501 1.00 1.43 H new ATOM 0 HG3 GLN A 442 4.565 -18.969 -10.948 1.00 1.43 H new ATOM 0 HE21 GLN A 442 4.942 -21.330 -12.198 1.00 2.47 H new ATOM 0 HE22 GLN A 442 4.786 -21.184 -13.952 1.00 2.47 H new ATOM 986 N GLY A 443 -0.037 -19.345 -12.403 1.00 0.63 N ATOM 987 CA GLY A 443 -0.838 -19.691 -13.611 1.00 0.66 C ATOM 988 C GLY A 443 -2.306 -19.862 -13.222 1.00 0.64 C ATOM 989 O GLY A 443 -3.192 -19.312 -13.845 1.00 0.66 O ATOM 0 H GLY A 443 -0.034 -18.355 -12.156 1.00 0.63 H new ATOM 0 HA2 GLY A 443 -0.739 -18.907 -14.362 1.00 0.66 H new ATOM 0 HA3 GLY A 443 -0.461 -20.610 -14.059 1.00 0.66 H new ATOM 993 N HIS A 444 -2.573 -20.622 -12.195 1.00 0.62 N ATOM 994 CA HIS A 444 -3.986 -20.828 -11.768 1.00 0.62 C ATOM 995 C HIS A 444 -4.515 -19.573 -11.067 1.00 0.67 C ATOM 996 O HIS A 444 -4.658 -19.538 -9.860 1.00 1.34 O ATOM 997 CB HIS A 444 -3.938 -22.009 -10.796 1.00 0.63 C ATOM 998 CG HIS A 444 -4.838 -23.107 -11.292 1.00 0.95 C ATOM 999 ND1 HIS A 444 -4.372 -24.386 -11.547 1.00 1.52 N ATOM 1000 CD2 HIS A 444 -6.180 -23.133 -11.581 1.00 1.62 C ATOM 1001 CE1 HIS A 444 -5.415 -25.122 -11.970 1.00 1.77 C ATOM 1002 NE2 HIS A 444 -6.542 -24.406 -12.009 1.00 1.86 N ATOM 0 H HIS A 444 -1.874 -21.109 -11.634 1.00 0.62 H new ATOM 0 HA HIS A 444 -4.649 -21.022 -12.611 1.00 0.62 H new ATOM 0 HB2 HIS A 444 -2.916 -22.376 -10.704 1.00 0.63 H new ATOM 0 HB3 HIS A 444 -4.252 -21.689 -9.803 1.00 0.63 H new ATOM 0 HD2 HIS A 444 -6.852 -22.293 -11.490 1.00 1.62 H new ATOM 0 HE1 HIS A 444 -5.349 -26.164 -12.245 1.00 1.77 H new ATOM 0 HE2 HIS A 444 -7.469 -24.724 -12.292 1.00 1.86 H new ATOM 1010 N LYS A 445 -4.808 -18.542 -11.812 1.00 0.62 N ATOM 1011 CA LYS A 445 -5.327 -17.293 -11.184 1.00 0.51 C ATOM 1012 C LYS A 445 -6.630 -17.584 -10.432 1.00 0.51 C ATOM 1013 O LYS A 445 -7.020 -16.855 -9.542 1.00 0.57 O ATOM 1014 CB LYS A 445 -5.584 -16.335 -12.350 1.00 0.62 C ATOM 1015 CG LYS A 445 -6.511 -17.001 -13.369 1.00 1.31 C ATOM 1016 CD LYS A 445 -7.487 -15.962 -13.927 1.00 1.56 C ATOM 1017 CE LYS A 445 -8.885 -16.218 -13.362 1.00 2.23 C ATOM 1018 NZ LYS A 445 -9.058 -15.201 -12.286 1.00 2.52 N ATOM 0 H LYS A 445 -4.711 -18.510 -12.827 1.00 0.62 H new ATOM 0 HA LYS A 445 -4.627 -16.874 -10.461 1.00 0.51 H new ATOM 0 HB2 LYS A 445 -6.034 -15.412 -11.983 1.00 0.62 H new ATOM 0 HB3 LYS A 445 -4.641 -16.063 -12.825 1.00 0.62 H new ATOM 0 HG2 LYS A 445 -5.926 -17.437 -14.178 1.00 1.31 H new ATOM 0 HG3 LYS A 445 -7.061 -17.816 -12.898 1.00 1.31 H new ATOM 0 HD2 LYS A 445 -7.155 -14.958 -13.663 1.00 1.56 H new ATOM 0 HD3 LYS A 445 -7.508 -16.015 -15.015 1.00 1.56 H new ATOM 0 HE2 LYS A 445 -9.648 -16.111 -14.133 1.00 2.23 H new ATOM 0 HE3 LYS A 445 -8.972 -17.230 -12.966 1.00 2.23 H new ATOM 0 HZ1 LYS A 445 -9.512 -15.642 -11.461 1.00 2.52 H new ATOM 0 HZ2 LYS A 445 -8.128 -14.826 -12.010 1.00 2.52 H new ATOM 0 HZ3 LYS A 445 -9.655 -14.424 -12.635 1.00 2.52 H new ATOM 1032 N GLN A 446 -7.304 -18.647 -10.783 1.00 0.53 N ATOM 1033 CA GLN A 446 -8.581 -18.985 -10.091 1.00 0.56 C ATOM 1034 C GLN A 446 -8.303 -19.440 -8.655 1.00 0.52 C ATOM 1035 O GLN A 446 -8.946 -19.005 -7.721 1.00 0.51 O ATOM 1036 CB GLN A 446 -9.186 -20.127 -10.908 1.00 0.64 C ATOM 1037 CG GLN A 446 -10.574 -19.720 -11.406 1.00 1.11 C ATOM 1038 CD GLN A 446 -11.141 -20.824 -12.300 1.00 1.79 C ATOM 1039 OE1 GLN A 446 -10.561 -21.885 -12.417 1.00 2.45 O ATOM 1040 NE2 GLN A 446 -12.260 -20.619 -12.940 1.00 2.40 N ATOM 0 H GLN A 446 -7.025 -19.296 -11.519 1.00 0.53 H new ATOM 0 HA GLN A 446 -9.253 -18.129 -10.027 1.00 0.56 H new ATOM 0 HB2 GLN A 446 -8.540 -20.365 -11.753 1.00 0.64 H new ATOM 0 HB3 GLN A 446 -9.257 -21.027 -10.297 1.00 0.64 H new ATOM 0 HG2 GLN A 446 -11.239 -19.546 -10.560 1.00 1.11 H new ATOM 0 HG3 GLN A 446 -10.513 -18.784 -11.961 1.00 1.11 H new ATOM 0 HE21 GLN A 446 -12.748 -19.728 -12.842 1.00 2.40 H new ATOM 0 HE22 GLN A 446 -12.647 -21.349 -13.538 1.00 2.40 H new ATOM 1049 N GLU A 447 -7.348 -20.312 -8.471 1.00 0.52 N ATOM 1050 CA GLU A 447 -7.030 -20.791 -7.094 1.00 0.51 C ATOM 1051 C GLU A 447 -6.793 -19.598 -6.165 1.00 0.45 C ATOM 1052 O GLU A 447 -7.156 -19.619 -5.005 1.00 0.45 O ATOM 1053 CB GLU A 447 -5.752 -21.618 -7.244 1.00 0.53 C ATOM 1054 CG GLU A 447 -6.000 -23.036 -6.728 1.00 0.80 C ATOM 1055 CD GLU A 447 -5.816 -23.067 -5.209 1.00 1.32 C ATOM 1056 OE1 GLU A 447 -6.220 -22.115 -4.564 1.00 2.14 O ATOM 1057 OE2 GLU A 447 -5.273 -24.044 -4.718 1.00 1.96 O ATOM 0 H GLU A 447 -6.775 -20.713 -9.213 1.00 0.52 H new ATOM 0 HA GLU A 447 -7.842 -21.376 -6.662 1.00 0.51 H new ATOM 0 HB2 GLU A 447 -5.446 -21.648 -8.290 1.00 0.53 H new ATOM 0 HB3 GLU A 447 -4.938 -21.154 -6.687 1.00 0.53 H new ATOM 0 HG2 GLU A 447 -7.008 -23.358 -6.989 1.00 0.80 H new ATOM 0 HG3 GLU A 447 -5.309 -23.733 -7.203 1.00 0.80 H new ATOM 1064 N ALA A 448 -6.194 -18.555 -6.669 1.00 0.42 N ATOM 1065 CA ALA A 448 -5.943 -17.358 -5.817 1.00 0.39 C ATOM 1066 C ALA A 448 -7.264 -16.846 -5.232 1.00 0.40 C ATOM 1067 O ALA A 448 -7.284 -16.137 -4.246 1.00 0.40 O ATOM 1068 CB ALA A 448 -5.334 -16.320 -6.759 1.00 0.39 C ATOM 0 H ALA A 448 -5.868 -18.479 -7.632 1.00 0.42 H new ATOM 0 HA ALA A 448 -5.284 -17.577 -4.976 1.00 0.39 H new ATOM 0 HB1 ALA A 448 -5.120 -15.406 -6.204 1.00 0.39 H new ATOM 0 HB2 ALA A 448 -4.410 -16.712 -7.183 1.00 0.39 H new ATOM 0 HB3 ALA A 448 -6.037 -16.101 -7.562 1.00 0.39 H new ATOM 1074 N ALA A 449 -8.367 -17.199 -5.836 1.00 0.44 N ATOM 1075 CA ALA A 449 -9.682 -16.733 -5.314 1.00 0.47 C ATOM 1076 C ALA A 449 -9.859 -17.168 -3.855 1.00 0.48 C ATOM 1077 O ALA A 449 -9.869 -16.355 -2.954 1.00 0.49 O ATOM 1078 CB ALA A 449 -10.727 -17.406 -6.209 1.00 0.52 C ATOM 0 H ALA A 449 -8.413 -17.789 -6.667 1.00 0.44 H new ATOM 0 HA ALA A 449 -9.771 -15.647 -5.332 1.00 0.47 H new ATOM 0 HB1 ALA A 449 -11.726 -17.111 -5.887 1.00 0.52 H new ATOM 0 HB2 ALA A 449 -10.573 -17.097 -7.243 1.00 0.52 H new ATOM 0 HB3 ALA A 449 -10.627 -18.489 -6.135 1.00 0.52 H new ATOM 1084 N ARG A 450 -9.998 -18.444 -3.616 1.00 0.49 N ATOM 1085 CA ARG A 450 -10.175 -18.926 -2.217 1.00 0.52 C ATOM 1086 C ARG A 450 -8.986 -18.497 -1.351 1.00 0.49 C ATOM 1087 O ARG A 450 -9.100 -18.355 -0.150 1.00 0.50 O ATOM 1088 CB ARG A 450 -10.233 -20.451 -2.331 1.00 0.56 C ATOM 1089 CG ARG A 450 -10.985 -21.028 -1.129 1.00 0.78 C ATOM 1090 CD ARG A 450 -12.197 -21.824 -1.617 1.00 1.37 C ATOM 1091 NE ARG A 450 -12.581 -22.686 -0.464 1.00 1.77 N ATOM 1092 CZ ARG A 450 -13.292 -23.762 -0.662 1.00 2.35 C ATOM 1093 NH1 ARG A 450 -14.474 -23.672 -1.208 1.00 2.93 N ATOM 1094 NH2 ARG A 450 -12.822 -24.929 -0.314 1.00 2.97 N ATOM 0 H ARG A 450 -9.997 -19.173 -4.329 1.00 0.49 H new ATOM 0 HA ARG A 450 -11.070 -18.516 -1.749 1.00 0.52 H new ATOM 0 HB2 ARG A 450 -10.732 -20.738 -3.257 1.00 0.56 H new ATOM 0 HB3 ARG A 450 -9.224 -20.861 -2.373 1.00 0.56 H new ATOM 0 HG2 ARG A 450 -10.324 -21.672 -0.548 1.00 0.78 H new ATOM 0 HG3 ARG A 450 -11.308 -20.223 -0.468 1.00 0.78 H new ATOM 0 HD2 ARG A 450 -13.014 -21.162 -1.905 1.00 1.37 H new ATOM 0 HD3 ARG A 450 -11.949 -22.424 -2.493 1.00 1.37 H new ATOM 0 HE ARG A 450 -12.288 -22.435 0.480 1.00 1.77 H new ATOM 0 HH11 ARG A 450 -14.842 -22.760 -1.480 1.00 2.93 H new ATOM 0 HH12 ARG A 450 -15.030 -24.513 -1.363 1.00 2.93 H new ATOM 0 HH21 ARG A 450 -11.898 -25.000 0.113 1.00 2.97 H new ATOM 0 HH22 ARG A 450 -13.378 -25.770 -0.469 1.00 2.97 H new ATOM 1108 N LEU A 451 -7.848 -18.291 -1.953 1.00 0.47 N ATOM 1109 CA LEU A 451 -6.652 -17.876 -1.166 1.00 0.47 C ATOM 1110 C LEU A 451 -6.872 -16.493 -0.545 1.00 0.44 C ATOM 1111 O LEU A 451 -6.286 -16.157 0.465 1.00 0.48 O ATOM 1112 CB LEU A 451 -5.507 -17.833 -2.177 1.00 0.46 C ATOM 1113 CG LEU A 451 -4.511 -18.950 -1.866 1.00 0.53 C ATOM 1114 CD1 LEU A 451 -4.982 -20.253 -2.515 1.00 0.92 C ATOM 1115 CD2 LEU A 451 -3.136 -18.572 -2.421 1.00 1.04 C ATOM 0 H LEU A 451 -7.694 -18.392 -2.956 1.00 0.47 H new ATOM 0 HA LEU A 451 -6.446 -18.561 -0.343 1.00 0.47 H new ATOM 0 HB2 LEU A 451 -5.896 -17.949 -3.189 1.00 0.46 H new ATOM 0 HB3 LEU A 451 -5.008 -16.865 -2.137 1.00 0.46 H new ATOM 0 HG LEU A 451 -4.445 -19.087 -0.787 1.00 0.53 H new ATOM 0 HD11 LEU A 451 -4.271 -21.048 -2.292 1.00 0.92 H new ATOM 0 HD12 LEU A 451 -5.962 -20.522 -2.121 1.00 0.92 H new ATOM 0 HD13 LEU A 451 -5.049 -20.118 -3.595 1.00 0.92 H new ATOM 0 HD21 LEU A 451 -2.424 -19.367 -2.201 1.00 1.04 H new ATOM 0 HD22 LEU A 451 -3.204 -18.435 -3.500 1.00 1.04 H new ATOM 0 HD23 LEU A 451 -2.799 -17.644 -1.958 1.00 1.04 H new ATOM 1127 N LEU A 452 -7.708 -15.687 -1.140 1.00 0.42 N ATOM 1128 CA LEU A 452 -7.957 -14.327 -0.578 1.00 0.41 C ATOM 1129 C LEU A 452 -9.439 -14.160 -0.230 1.00 0.46 C ATOM 1130 O LEU A 452 -9.965 -13.064 -0.229 1.00 0.51 O ATOM 1131 CB LEU A 452 -7.557 -13.356 -1.692 1.00 0.37 C ATOM 1132 CG LEU A 452 -6.117 -13.631 -2.131 1.00 0.35 C ATOM 1133 CD1 LEU A 452 -6.035 -13.586 -3.658 1.00 0.31 C ATOM 1134 CD2 LEU A 452 -5.189 -12.566 -1.541 1.00 0.43 C ATOM 0 H LEU A 452 -8.229 -15.909 -1.989 1.00 0.42 H new ATOM 0 HA LEU A 452 -7.393 -14.152 0.338 1.00 0.41 H new ATOM 0 HB2 LEU A 452 -8.232 -13.465 -2.541 1.00 0.37 H new ATOM 0 HB3 LEU A 452 -7.649 -12.328 -1.341 1.00 0.37 H new ATOM 0 HG LEU A 452 -5.811 -14.615 -1.777 1.00 0.35 H new ATOM 0 HD11 LEU A 452 -5.010 -13.782 -3.973 1.00 0.31 H new ATOM 0 HD12 LEU A 452 -6.695 -14.343 -4.080 1.00 0.31 H new ATOM 0 HD13 LEU A 452 -6.341 -12.601 -4.010 1.00 0.31 H new ATOM 0 HD21 LEU A 452 -4.164 -12.763 -1.854 1.00 0.43 H new ATOM 0 HD22 LEU A 452 -5.494 -11.581 -1.895 1.00 0.43 H new ATOM 0 HD23 LEU A 452 -5.248 -12.595 -0.453 1.00 0.43 H new ATOM 1146 N GLY A 453 -10.117 -15.236 0.065 1.00 0.50 N ATOM 1147 CA GLY A 453 -11.564 -15.132 0.412 1.00 0.56 C ATOM 1148 C GLY A 453 -12.334 -14.538 -0.770 1.00 0.58 C ATOM 1149 O GLY A 453 -13.414 -14.001 -0.614 1.00 0.68 O ATOM 0 H GLY A 453 -9.733 -16.181 0.081 1.00 0.50 H new ATOM 0 HA2 GLY A 453 -11.961 -16.117 0.660 1.00 0.56 H new ATOM 0 HA3 GLY A 453 -11.693 -14.505 1.295 1.00 0.56 H new ATOM 1153 N TRP A 454 -11.791 -14.632 -1.953 1.00 0.54 N ATOM 1154 CA TRP A 454 -12.491 -14.076 -3.146 1.00 0.60 C ATOM 1155 C TRP A 454 -13.121 -15.209 -3.961 1.00 0.68 C ATOM 1156 O TRP A 454 -13.098 -16.358 -3.567 1.00 1.16 O ATOM 1157 CB TRP A 454 -11.394 -13.384 -3.963 1.00 0.53 C ATOM 1158 CG TRP A 454 -10.980 -12.094 -3.315 1.00 0.53 C ATOM 1159 CD1 TRP A 454 -11.344 -11.675 -2.076 1.00 0.58 C ATOM 1160 CD2 TRP A 454 -10.119 -11.053 -3.860 1.00 0.50 C ATOM 1161 NE1 TRP A 454 -10.763 -10.444 -1.827 1.00 0.58 N ATOM 1162 CE2 TRP A 454 -9.998 -10.014 -2.892 1.00 0.52 C ATOM 1163 CE3 TRP A 454 -9.433 -10.904 -5.094 1.00 0.51 C ATOM 1164 CZ2 TRP A 454 -9.222 -8.867 -3.137 1.00 0.52 C ATOM 1165 CZ3 TRP A 454 -8.651 -9.750 -5.345 1.00 0.53 C ATOM 1166 CH2 TRP A 454 -8.546 -8.734 -4.368 1.00 0.52 C ATOM 0 H TRP A 454 -10.891 -15.071 -2.145 1.00 0.54 H new ATOM 0 HA TRP A 454 -13.293 -13.391 -2.871 1.00 0.60 H new ATOM 0 HB2 TRP A 454 -10.531 -14.044 -4.054 1.00 0.53 H new ATOM 0 HB3 TRP A 454 -11.755 -13.190 -4.973 1.00 0.53 H new ATOM 0 HD1 TRP A 454 -11.984 -12.215 -1.394 1.00 0.58 H new ATOM 0 HE1 TRP A 454 -10.885 -9.918 -0.961 1.00 0.58 H new ATOM 0 HE3 TRP A 454 -9.508 -11.675 -5.846 1.00 0.51 H new ATOM 0 HZ2 TRP A 454 -9.144 -8.093 -2.388 1.00 0.52 H new ATOM 0 HZ3 TRP A 454 -8.133 -9.646 -6.287 1.00 0.53 H new ATOM 0 HH2 TRP A 454 -7.948 -7.856 -4.564 1.00 0.52 H new ATOM 1177 N GLY A 455 -13.673 -14.893 -5.099 1.00 0.72 N ATOM 1178 CA GLY A 455 -14.295 -15.948 -5.947 1.00 0.72 C ATOM 1179 C GLY A 455 -13.741 -15.834 -7.367 1.00 0.70 C ATOM 1180 O GLY A 455 -12.663 -15.318 -7.579 1.00 0.64 O ATOM 0 H GLY A 455 -13.720 -13.948 -5.479 1.00 0.72 H new ATOM 0 HA2 GLY A 455 -14.081 -16.935 -5.537 1.00 0.72 H new ATOM 0 HA3 GLY A 455 -15.379 -15.834 -5.955 1.00 0.72 H new ATOM 1184 N ALA A 456 -14.467 -16.301 -8.344 1.00 0.77 N ATOM 1185 CA ALA A 456 -13.973 -16.202 -9.747 1.00 0.77 C ATOM 1186 C ALA A 456 -14.441 -14.886 -10.368 1.00 0.82 C ATOM 1187 O ALA A 456 -13.797 -14.332 -11.236 1.00 0.83 O ATOM 1188 CB ALA A 456 -14.595 -17.394 -10.475 1.00 0.84 C ATOM 0 H ALA A 456 -15.378 -16.746 -8.233 1.00 0.77 H new ATOM 0 HA ALA A 456 -12.885 -16.218 -9.808 1.00 0.77 H new ATOM 0 HB1 ALA A 456 -14.277 -17.390 -11.518 1.00 0.84 H new ATOM 0 HB2 ALA A 456 -14.270 -18.320 -10.000 1.00 0.84 H new ATOM 0 HB3 ALA A 456 -15.682 -17.323 -10.427 1.00 0.84 H new ATOM 1194 N ALA A 457 -15.557 -14.377 -9.922 1.00 0.90 N ATOM 1195 CA ALA A 457 -16.063 -13.091 -10.479 1.00 0.97 C ATOM 1196 C ALA A 457 -15.241 -11.928 -9.920 1.00 0.89 C ATOM 1197 O ALA A 457 -14.789 -11.067 -10.648 1.00 0.91 O ATOM 1198 CB ALA A 457 -17.515 -12.999 -10.010 1.00 1.08 C ATOM 0 H ALA A 457 -16.139 -14.796 -9.197 1.00 0.90 H new ATOM 0 HA ALA A 457 -15.987 -13.047 -11.565 1.00 0.97 H new ATOM 0 HB1 ALA A 457 -17.959 -12.075 -10.381 1.00 1.08 H new ATOM 0 HB2 ALA A 457 -18.076 -13.851 -10.394 1.00 1.08 H new ATOM 0 HB3 ALA A 457 -17.546 -13.005 -8.920 1.00 1.08 H new ATOM 1204 N THR A 458 -15.039 -11.902 -8.630 1.00 0.84 N ATOM 1205 CA THR A 458 -14.238 -10.802 -8.023 1.00 0.77 C ATOM 1206 C THR A 458 -12.823 -10.809 -8.603 1.00 0.68 C ATOM 1207 O THR A 458 -12.362 -9.829 -9.154 1.00 0.67 O ATOM 1208 CB THR A 458 -14.207 -11.111 -6.526 1.00 0.76 C ATOM 1209 OG1 THR A 458 -15.528 -11.061 -6.006 1.00 0.85 O ATOM 1210 CG2 THR A 458 -13.335 -10.079 -5.808 1.00 0.72 C ATOM 0 H THR A 458 -15.394 -12.595 -7.971 1.00 0.84 H new ATOM 0 HA THR A 458 -14.663 -9.818 -8.223 1.00 0.77 H new ATOM 0 HB THR A 458 -13.792 -12.107 -6.369 1.00 0.76 H new ATOM 0 HG1 THR A 458 -15.510 -11.261 -5.047 1.00 0.85 H new ATOM 0 HG21 THR A 458 -13.314 -10.300 -4.741 1.00 0.72 H new ATOM 0 HG22 THR A 458 -12.321 -10.118 -6.207 1.00 0.72 H new ATOM 0 HG23 THR A 458 -13.748 -9.082 -5.964 1.00 0.72 H new ATOM 1218 N LEU A 459 -12.131 -11.913 -8.489 1.00 0.64 N ATOM 1219 CA LEU A 459 -10.747 -11.993 -9.039 1.00 0.57 C ATOM 1220 C LEU A 459 -10.718 -11.468 -10.478 1.00 0.60 C ATOM 1221 O LEU A 459 -9.726 -10.937 -10.938 1.00 0.58 O ATOM 1222 CB LEU A 459 -10.396 -13.482 -8.996 1.00 0.56 C ATOM 1223 CG LEU A 459 -9.091 -13.672 -8.223 1.00 0.47 C ATOM 1224 CD1 LEU A 459 -9.040 -15.086 -7.645 1.00 0.48 C ATOM 1225 CD2 LEU A 459 -7.903 -13.465 -9.162 1.00 0.46 C ATOM 0 H LEU A 459 -12.466 -12.764 -8.038 1.00 0.64 H new ATOM 0 HA LEU A 459 -10.037 -11.391 -8.472 1.00 0.57 H new ATOM 0 HB2 LEU A 459 -11.200 -14.043 -8.519 1.00 0.56 H new ATOM 0 HB3 LEU A 459 -10.292 -13.872 -10.008 1.00 0.56 H new ATOM 0 HG LEU A 459 -9.044 -12.945 -7.412 1.00 0.47 H new ATOM 0 HD11 LEU A 459 -8.109 -15.221 -7.094 1.00 0.48 H new ATOM 0 HD12 LEU A 459 -9.885 -15.235 -6.972 1.00 0.48 H new ATOM 0 HD13 LEU A 459 -9.090 -15.813 -8.456 1.00 0.48 H new ATOM 0 HD21 LEU A 459 -6.974 -13.601 -8.609 1.00 0.46 H new ATOM 0 HD22 LEU A 459 -7.951 -14.190 -9.975 1.00 0.46 H new ATOM 0 HD23 LEU A 459 -7.936 -12.456 -9.573 1.00 0.46 H new ATOM 1237 N THR A 460 -11.805 -11.608 -11.187 1.00 0.68 N ATOM 1238 CA THR A 460 -11.850 -11.109 -12.591 1.00 0.74 C ATOM 1239 C THR A 460 -12.341 -9.659 -12.615 1.00 0.76 C ATOM 1240 O THR A 460 -11.753 -8.807 -13.250 1.00 0.75 O ATOM 1241 CB THR A 460 -12.843 -12.027 -13.304 1.00 0.83 C ATOM 1242 OG1 THR A 460 -12.457 -13.381 -13.109 1.00 0.82 O ATOM 1243 CG2 THR A 460 -12.853 -11.709 -14.800 1.00 0.92 C ATOM 0 H THR A 460 -12.664 -12.046 -10.855 1.00 0.68 H new ATOM 0 HA THR A 460 -10.871 -11.121 -13.070 1.00 0.74 H new ATOM 0 HB THR A 460 -13.841 -11.870 -12.895 1.00 0.83 H new ATOM 0 HG1 THR A 460 -13.098 -13.821 -12.512 1.00 0.82 H new ATOM 0 HG21 THR A 460 -13.561 -12.364 -15.307 1.00 0.92 H new ATOM 0 HG22 THR A 460 -13.149 -10.671 -14.949 1.00 0.92 H new ATOM 0 HG23 THR A 460 -11.856 -11.865 -15.212 1.00 0.92 H new ATOM 1251 N ALA A 461 -13.411 -9.371 -11.925 1.00 0.81 N ATOM 1252 CA ALA A 461 -13.932 -7.975 -11.909 1.00 0.85 C ATOM 1253 C ALA A 461 -12.888 -7.035 -11.302 1.00 0.79 C ATOM 1254 O ALA A 461 -12.704 -5.921 -11.751 1.00 0.83 O ATOM 1255 CB ALA A 461 -15.182 -8.026 -11.031 1.00 0.92 C ATOM 0 H ALA A 461 -13.946 -10.041 -11.373 1.00 0.81 H new ATOM 0 HA ALA A 461 -14.155 -7.604 -12.909 1.00 0.85 H new ATOM 0 HB1 ALA A 461 -15.625 -7.032 -10.970 1.00 0.92 H new ATOM 0 HB2 ALA A 461 -15.903 -8.718 -11.465 1.00 0.92 H new ATOM 0 HB3 ALA A 461 -14.911 -8.364 -10.031 1.00 0.92 H new ATOM 1261 N LYS A 462 -12.198 -7.479 -10.287 1.00 0.72 N ATOM 1262 CA LYS A 462 -11.161 -6.614 -9.655 1.00 0.68 C ATOM 1263 C LYS A 462 -10.070 -6.280 -10.675 1.00 0.66 C ATOM 1264 O LYS A 462 -9.452 -5.235 -10.618 1.00 0.67 O ATOM 1265 CB LYS A 462 -10.589 -7.454 -8.513 1.00 0.66 C ATOM 1266 CG LYS A 462 -11.386 -7.187 -7.234 1.00 0.99 C ATOM 1267 CD LYS A 462 -11.082 -5.775 -6.729 1.00 0.91 C ATOM 1268 CE LYS A 462 -12.354 -5.157 -6.145 1.00 1.31 C ATOM 1269 NZ LYS A 462 -11.905 -4.444 -4.917 1.00 1.39 N ATOM 0 H LYS A 462 -12.307 -8.403 -9.868 1.00 0.72 H new ATOM 0 HA LYS A 462 -11.568 -5.668 -9.298 1.00 0.68 H new ATOM 0 HB2 LYS A 462 -10.634 -8.513 -8.768 1.00 0.66 H new ATOM 0 HB3 LYS A 462 -9.538 -7.208 -8.358 1.00 0.66 H new ATOM 0 HG2 LYS A 462 -12.453 -7.293 -7.429 1.00 0.99 H new ATOM 0 HG3 LYS A 462 -11.127 -7.921 -6.471 1.00 0.99 H new ATOM 0 HD2 LYS A 462 -10.300 -5.809 -5.970 1.00 0.91 H new ATOM 0 HD3 LYS A 462 -10.707 -5.158 -7.546 1.00 0.91 H new ATOM 0 HE2 LYS A 462 -12.820 -4.471 -6.852 1.00 1.31 H new ATOM 0 HE3 LYS A 462 -13.093 -5.923 -5.909 1.00 1.31 H new ATOM 0 HZ1 LYS A 462 -12.723 -3.993 -4.459 1.00 1.39 H new ATOM 0 HZ2 LYS A 462 -11.471 -5.124 -4.260 1.00 1.39 H new ATOM 0 HZ3 LYS A 462 -11.207 -3.717 -5.173 1.00 1.39 H new ATOM 1283 N LEU A 463 -9.832 -7.160 -11.609 1.00 0.65 N ATOM 1284 CA LEU A 463 -8.783 -6.893 -12.634 1.00 0.65 C ATOM 1285 C LEU A 463 -9.123 -5.621 -13.415 1.00 0.68 C ATOM 1286 O LEU A 463 -8.261 -4.823 -13.726 1.00 0.70 O ATOM 1287 CB LEU A 463 -8.814 -8.114 -13.555 1.00 0.68 C ATOM 1288 CG LEU A 463 -7.571 -8.115 -14.443 1.00 0.81 C ATOM 1289 CD1 LEU A 463 -6.586 -9.173 -13.943 1.00 0.99 C ATOM 1290 CD2 LEU A 463 -7.974 -8.438 -15.883 1.00 0.99 C ATOM 0 H LEU A 463 -10.318 -8.051 -11.707 1.00 0.65 H new ATOM 0 HA LEU A 463 -7.798 -6.741 -12.192 1.00 0.65 H new ATOM 0 HB2 LEU A 463 -8.851 -9.028 -12.963 1.00 0.68 H new ATOM 0 HB3 LEU A 463 -9.713 -8.096 -14.170 1.00 0.68 H new ATOM 0 HG LEU A 463 -7.099 -7.133 -14.407 1.00 0.81 H new ATOM 0 HD11 LEU A 463 -5.699 -9.173 -14.577 1.00 0.99 H new ATOM 0 HD12 LEU A 463 -6.298 -8.946 -12.917 1.00 0.99 H new ATOM 0 HD13 LEU A 463 -7.058 -10.155 -13.979 1.00 0.99 H new ATOM 0 HD21 LEU A 463 -7.088 -8.439 -16.517 1.00 0.99 H new ATOM 0 HD22 LEU A 463 -8.446 -9.420 -15.917 1.00 0.99 H new ATOM 0 HD23 LEU A 463 -8.676 -7.685 -16.242 1.00 0.99 H new ATOM 1302 N LYS A 464 -10.373 -5.428 -13.736 1.00 0.72 N ATOM 1303 CA LYS A 464 -10.770 -4.208 -14.497 1.00 0.77 C ATOM 1304 C LYS A 464 -11.125 -3.070 -13.536 1.00 0.76 C ATOM 1305 O LYS A 464 -10.714 -1.941 -13.717 1.00 0.82 O ATOM 1306 CB LYS A 464 -12.000 -4.631 -15.303 1.00 0.85 C ATOM 1307 CG LYS A 464 -11.896 -4.077 -16.725 1.00 1.20 C ATOM 1308 CD LYS A 464 -13.171 -4.417 -17.500 1.00 1.62 C ATOM 1309 CE LYS A 464 -13.071 -3.858 -18.922 1.00 2.25 C ATOM 1310 NZ LYS A 464 -12.201 -4.821 -19.653 1.00 2.66 N ATOM 0 H LYS A 464 -11.137 -6.062 -13.504 1.00 0.72 H new ATOM 0 HA LYS A 464 -9.966 -3.841 -15.135 1.00 0.77 H new ATOM 0 HB2 LYS A 464 -12.074 -5.718 -15.330 1.00 0.85 H new ATOM 0 HB3 LYS A 464 -12.906 -4.262 -14.823 1.00 0.85 H new ATOM 0 HG2 LYS A 464 -11.752 -2.997 -16.696 1.00 1.20 H new ATOM 0 HG3 LYS A 464 -11.027 -4.501 -17.229 1.00 1.20 H new ATOM 0 HD2 LYS A 464 -13.312 -5.497 -17.532 1.00 1.62 H new ATOM 0 HD3 LYS A 464 -14.040 -3.997 -16.993 1.00 1.62 H new ATOM 0 HE2 LYS A 464 -14.054 -3.783 -19.387 1.00 2.25 H new ATOM 0 HE3 LYS A 464 -12.640 -2.857 -18.923 1.00 2.25 H new ATOM 0 HZ1 LYS A 464 -11.438 -4.303 -20.134 1.00 2.66 H new ATOM 0 HZ2 LYS A 464 -11.789 -5.497 -18.979 1.00 2.66 H new ATOM 0 HZ3 LYS A 464 -12.768 -5.335 -20.357 1.00 2.66 H new ATOM 1324 N GLU A 465 -11.888 -3.358 -12.517 1.00 0.73 N ATOM 1325 CA GLU A 465 -12.273 -2.291 -11.548 1.00 0.76 C ATOM 1326 C GLU A 465 -11.030 -1.553 -11.042 1.00 0.69 C ATOM 1327 O GLU A 465 -10.878 -0.365 -11.246 1.00 0.85 O ATOM 1328 CB GLU A 465 -12.964 -3.028 -10.400 1.00 0.79 C ATOM 1329 CG GLU A 465 -13.674 -2.017 -9.498 1.00 1.12 C ATOM 1330 CD GLU A 465 -15.100 -2.494 -9.217 1.00 1.42 C ATOM 1331 OE1 GLU A 465 -15.284 -3.692 -9.069 1.00 1.95 O ATOM 1332 OE2 GLU A 465 -15.984 -1.656 -9.153 1.00 2.03 O ATOM 0 H GLU A 465 -12.261 -4.285 -12.313 1.00 0.73 H new ATOM 0 HA GLU A 465 -12.921 -1.541 -12.001 1.00 0.76 H new ATOM 0 HB2 GLU A 465 -13.683 -3.746 -10.795 1.00 0.79 H new ATOM 0 HB3 GLU A 465 -12.232 -3.594 -9.824 1.00 0.79 H new ATOM 0 HG2 GLU A 465 -13.127 -1.902 -8.562 1.00 1.12 H new ATOM 0 HG3 GLU A 465 -13.695 -1.038 -9.977 1.00 1.12 H new ATOM 1339 N LEU A 466 -10.139 -2.243 -10.384 1.00 0.56 N ATOM 1340 CA LEU A 466 -8.910 -1.574 -9.868 1.00 0.59 C ATOM 1341 C LEU A 466 -8.195 -0.835 -11.001 1.00 0.70 C ATOM 1342 O LEU A 466 -7.508 0.143 -10.781 1.00 0.81 O ATOM 1343 CB LEU A 466 -8.033 -2.707 -9.333 1.00 0.56 C ATOM 1344 CG LEU A 466 -8.557 -3.162 -7.970 1.00 0.54 C ATOM 1345 CD1 LEU A 466 -7.878 -4.475 -7.574 1.00 0.62 C ATOM 1346 CD2 LEU A 466 -8.245 -2.092 -6.921 1.00 0.52 C ATOM 0 H LEU A 466 -10.208 -3.240 -10.181 1.00 0.56 H new ATOM 0 HA LEU A 466 -9.136 -0.836 -9.098 1.00 0.59 H new ATOM 0 HB2 LEU A 466 -8.035 -3.543 -10.032 1.00 0.56 H new ATOM 0 HB3 LEU A 466 -7.000 -2.370 -9.243 1.00 0.56 H new ATOM 0 HG LEU A 466 -9.635 -3.313 -8.028 1.00 0.54 H new ATOM 0 HD11 LEU A 466 -8.251 -4.799 -6.603 1.00 0.62 H new ATOM 0 HD12 LEU A 466 -8.098 -5.238 -8.321 1.00 0.62 H new ATOM 0 HD13 LEU A 466 -6.800 -4.324 -7.516 1.00 0.62 H new ATOM 0 HD21 LEU A 466 -8.618 -2.415 -5.949 1.00 0.52 H new ATOM 0 HD22 LEU A 466 -7.167 -1.942 -6.864 1.00 0.52 H new ATOM 0 HD23 LEU A 466 -8.727 -1.156 -7.202 1.00 0.52 H new ATOM 1358 N GLY A 467 -8.351 -1.294 -12.213 1.00 0.77 N ATOM 1359 CA GLY A 467 -7.680 -0.616 -13.359 1.00 0.97 C ATOM 1360 C GLY A 467 -8.517 0.582 -13.806 1.00 1.08 C ATOM 1361 O GLY A 467 -7.992 1.602 -14.211 1.00 1.38 O ATOM 0 H GLY A 467 -8.914 -2.108 -12.459 1.00 0.77 H new ATOM 0 HA2 GLY A 467 -6.683 -0.287 -13.067 1.00 0.97 H new ATOM 0 HA3 GLY A 467 -7.556 -1.315 -14.186 1.00 0.97 H new ATOM 1723 N TRP B 402 6.605 -1.911 2.663 1.00 0.95 N ATOM 1724 CA TRP B 402 5.294 -2.621 2.684 1.00 0.86 C ATOM 1725 C TRP B 402 5.297 -3.888 1.825 1.00 0.79 C ATOM 1726 O TRP B 402 5.256 -4.985 2.338 1.00 0.71 O ATOM 1727 CB TRP B 402 4.316 -1.610 2.098 1.00 0.96 C ATOM 1728 CG TRP B 402 3.184 -1.422 3.037 1.00 0.84 C ATOM 1729 CD1 TRP B 402 3.212 -0.617 4.117 1.00 0.94 C ATOM 1730 CD2 TRP B 402 1.872 -2.039 3.006 1.00 0.76 C ATOM 1731 NE1 TRP B 402 1.986 -0.687 4.760 1.00 1.00 N ATOM 1732 CE2 TRP B 402 1.122 -1.553 4.114 1.00 0.83 C ATOM 1733 CE3 TRP B 402 1.257 -2.969 2.127 1.00 0.78 C ATOM 1734 CZ2 TRP B 402 -0.201 -1.975 4.345 1.00 0.83 C ATOM 1735 CZ3 TRP B 402 -0.072 -3.397 2.356 1.00 0.72 C ATOM 1736 CH2 TRP B 402 -0.800 -2.900 3.464 1.00 0.69 C ATOM 0 HA TRP B 402 5.042 -2.949 3.693 1.00 0.86 H new ATOM 0 HB2 TRP B 402 4.820 -0.659 1.922 1.00 0.96 H new ATOM 0 HB3 TRP B 402 3.949 -1.959 1.133 1.00 0.96 H new ATOM 0 HD1 TRP B 402 4.052 -0.015 4.431 1.00 0.94 H new ATOM 0 HE1 TRP B 402 1.750 -0.165 5.604 1.00 1.00 H new ATOM 0 HE3 TRP B 402 1.806 -3.352 1.279 1.00 0.78 H new ATOM 0 HZ2 TRP B 402 -0.754 -1.593 5.191 1.00 0.83 H new ATOM 0 HZ3 TRP B 402 -0.533 -4.105 1.683 1.00 0.72 H new ATOM 0 HH2 TRP B 402 -1.814 -3.229 3.635 1.00 0.69 H new ATOM 1747 N ALA B 403 5.302 -3.738 0.523 1.00 0.85 N ATOM 1748 CA ALA B 403 5.261 -4.930 -0.385 1.00 0.85 C ATOM 1749 C ALA B 403 6.179 -6.051 0.115 1.00 0.80 C ATOM 1750 O ALA B 403 5.811 -7.207 0.106 1.00 0.76 O ATOM 1751 CB ALA B 403 5.737 -4.413 -1.742 1.00 0.99 C ATOM 0 H ALA B 403 5.333 -2.837 0.046 1.00 0.85 H new ATOM 0 HA ALA B 403 4.260 -5.359 -0.432 1.00 0.85 H new ATOM 0 HB1 ALA B 403 5.735 -5.230 -2.464 1.00 0.99 H new ATOM 0 HB2 ALA B 403 5.068 -3.624 -2.086 1.00 0.99 H new ATOM 0 HB3 ALA B 403 6.748 -4.016 -1.646 1.00 0.99 H new ATOM 1757 N THR B 404 7.359 -5.725 0.559 1.00 0.82 N ATOM 1758 CA THR B 404 8.269 -6.789 1.067 1.00 0.81 C ATOM 1759 C THR B 404 7.650 -7.424 2.312 1.00 0.70 C ATOM 1760 O THR B 404 7.743 -8.616 2.532 1.00 0.69 O ATOM 1761 CB THR B 404 9.571 -6.074 1.419 1.00 0.89 C ATOM 1762 OG1 THR B 404 9.771 -4.987 0.525 1.00 1.07 O ATOM 1763 CG2 THR B 404 10.740 -7.054 1.302 1.00 0.89 C ATOM 0 H THR B 404 7.732 -4.776 0.593 1.00 0.82 H new ATOM 0 HA THR B 404 8.438 -7.583 0.339 1.00 0.81 H new ATOM 0 HB THR B 404 9.514 -5.698 2.441 1.00 0.89 H new ATOM 0 HG1 THR B 404 9.559 -4.146 0.980 1.00 1.07 H new ATOM 0 HG21 THR B 404 11.670 -6.543 1.553 1.00 0.89 H new ATOM 0 HG22 THR B 404 10.587 -7.887 1.988 1.00 0.89 H new ATOM 0 HG23 THR B 404 10.798 -7.431 0.281 1.00 0.89 H new ATOM 1771 N LEU B 405 7.003 -6.630 3.119 1.00 0.67 N ATOM 1772 CA LEU B 405 6.352 -7.167 4.345 1.00 0.61 C ATOM 1773 C LEU B 405 5.079 -7.924 3.954 1.00 0.53 C ATOM 1774 O LEU B 405 4.622 -8.800 4.660 1.00 0.52 O ATOM 1775 CB LEU B 405 6.015 -5.921 5.180 1.00 0.67 C ATOM 1776 CG LEU B 405 5.449 -6.311 6.556 1.00 0.64 C ATOM 1777 CD1 LEU B 405 4.006 -6.795 6.401 1.00 0.57 C ATOM 1778 CD2 LEU B 405 6.297 -7.423 7.190 1.00 0.64 C ATOM 0 H LEU B 405 6.897 -5.625 2.980 1.00 0.67 H new ATOM 0 HA LEU B 405 6.983 -7.864 4.897 1.00 0.61 H new ATOM 0 HB2 LEU B 405 6.911 -5.314 5.311 1.00 0.67 H new ATOM 0 HB3 LEU B 405 5.290 -5.307 4.646 1.00 0.67 H new ATOM 0 HG LEU B 405 5.475 -5.435 7.205 1.00 0.64 H new ATOM 0 HD11 LEU B 405 3.608 -7.071 7.378 1.00 0.57 H new ATOM 0 HD12 LEU B 405 3.399 -5.997 5.973 1.00 0.57 H new ATOM 0 HD13 LEU B 405 3.982 -7.662 5.741 1.00 0.57 H new ATOM 0 HD21 LEU B 405 5.882 -7.687 8.163 1.00 0.64 H new ATOM 0 HD22 LEU B 405 6.290 -8.300 6.543 1.00 0.64 H new ATOM 0 HD23 LEU B 405 7.322 -7.073 7.315 1.00 0.64 H new ATOM 1790 N LEU B 406 4.508 -7.586 2.831 1.00 0.53 N ATOM 1791 CA LEU B 406 3.269 -8.272 2.379 1.00 0.50 C ATOM 1792 C LEU B 406 3.625 -9.548 1.614 1.00 0.49 C ATOM 1793 O LEU B 406 2.856 -10.487 1.560 1.00 0.45 O ATOM 1794 CB LEU B 406 2.576 -7.257 1.465 1.00 0.57 C ATOM 1795 CG LEU B 406 1.061 -7.337 1.665 1.00 0.59 C ATOM 1796 CD1 LEU B 406 0.716 -7.035 3.125 1.00 0.94 C ATOM 1797 CD2 LEU B 406 0.370 -6.312 0.762 1.00 1.02 C ATOM 0 H LEU B 406 4.851 -6.858 2.204 1.00 0.53 H new ATOM 0 HA LEU B 406 2.628 -8.575 3.207 1.00 0.50 H new ATOM 0 HB2 LEU B 406 2.930 -6.250 1.688 1.00 0.57 H new ATOM 0 HB3 LEU B 406 2.827 -7.459 0.424 1.00 0.57 H new ATOM 0 HG LEU B 406 0.719 -8.340 1.410 1.00 0.59 H new ATOM 0 HD11 LEU B 406 -0.364 -7.093 3.263 1.00 0.94 H new ATOM 0 HD12 LEU B 406 1.204 -7.763 3.772 1.00 0.94 H new ATOM 0 HD13 LEU B 406 1.061 -6.033 3.381 1.00 0.94 H new ATOM 0 HD21 LEU B 406 -0.709 -6.370 0.905 1.00 1.02 H new ATOM 0 HD22 LEU B 406 0.717 -5.310 1.017 1.00 1.02 H new ATOM 0 HD23 LEU B 406 0.610 -6.525 -0.280 1.00 1.02 H new ATOM 1809 N ALA B 407 4.790 -9.592 1.030 1.00 0.56 N ATOM 1810 CA ALA B 407 5.204 -10.810 0.280 1.00 0.59 C ATOM 1811 C ALA B 407 5.619 -11.901 1.267 1.00 0.57 C ATOM 1812 O ALA B 407 5.278 -13.057 1.113 1.00 0.61 O ATOM 1813 CB ALA B 407 6.397 -10.369 -0.569 1.00 0.70 C ATOM 0 H ALA B 407 5.474 -8.836 1.040 1.00 0.56 H new ATOM 0 HA ALA B 407 4.402 -11.217 -0.336 1.00 0.59 H new ATOM 0 HB1 ALA B 407 6.760 -11.215 -1.153 1.00 0.70 H new ATOM 0 HB2 ALA B 407 6.089 -9.569 -1.242 1.00 0.70 H new ATOM 0 HB3 ALA B 407 7.194 -10.009 0.082 1.00 0.70 H new ATOM 1819 N GLN B 408 6.347 -11.538 2.288 1.00 0.57 N ATOM 1820 CA GLN B 408 6.776 -12.546 3.295 1.00 0.57 C ATOM 1821 C GLN B 408 5.613 -12.864 4.235 1.00 0.50 C ATOM 1822 O GLN B 408 5.438 -13.986 4.669 1.00 0.50 O ATOM 1823 CB GLN B 408 7.921 -11.880 4.060 1.00 0.62 C ATOM 1824 CG GLN B 408 9.236 -12.109 3.315 1.00 0.75 C ATOM 1825 CD GLN B 408 10.327 -12.503 4.312 1.00 0.78 C ATOM 1826 OE1 GLN B 408 10.675 -13.662 4.422 1.00 1.29 O ATOM 1827 NE2 GLN B 408 10.885 -11.582 5.049 1.00 1.46 N ATOM 0 H GLN B 408 6.663 -10.585 2.467 1.00 0.57 H new ATOM 0 HA GLN B 408 7.088 -13.486 2.840 1.00 0.57 H new ATOM 0 HB2 GLN B 408 7.731 -10.812 4.162 1.00 0.62 H new ATOM 0 HB3 GLN B 408 7.986 -12.290 5.068 1.00 0.62 H new ATOM 0 HG2 GLN B 408 9.111 -12.893 2.568 1.00 0.75 H new ATOM 0 HG3 GLN B 408 9.526 -11.204 2.781 1.00 0.75 H new ATOM 0 HE21 GLN B 408 10.593 -10.609 4.957 1.00 1.46 H new ATOM 0 HE22 GLN B 408 11.613 -11.835 5.717 1.00 1.46 H new ATOM 1836 N TRP B 409 4.807 -11.883 4.544 1.00 0.46 N ATOM 1837 CA TRP B 409 3.648 -12.124 5.447 1.00 0.43 C ATOM 1838 C TRP B 409 2.617 -13.006 4.734 1.00 0.40 C ATOM 1839 O TRP B 409 2.224 -14.044 5.229 1.00 0.41 O ATOM 1840 CB TRP B 409 3.080 -10.729 5.732 1.00 0.43 C ATOM 1841 CG TRP B 409 1.760 -10.840 6.432 1.00 0.42 C ATOM 1842 CD1 TRP B 409 1.591 -11.223 7.720 1.00 0.50 C ATOM 1843 CD2 TRP B 409 0.430 -10.574 5.904 1.00 0.40 C ATOM 1844 NE1 TRP B 409 0.239 -11.208 8.020 1.00 0.53 N ATOM 1845 CE2 TRP B 409 -0.521 -10.816 6.936 1.00 0.47 C ATOM 1846 CE3 TRP B 409 -0.046 -10.148 4.637 1.00 0.39 C ATOM 1847 CZ2 TRP B 409 -1.901 -10.642 6.720 1.00 0.50 C ATOM 1848 CZ3 TRP B 409 -1.433 -9.971 4.414 1.00 0.43 C ATOM 1849 CH2 TRP B 409 -2.359 -10.218 5.455 1.00 0.48 C ATOM 0 H TRP B 409 4.903 -10.924 4.209 1.00 0.46 H new ATOM 0 HA TRP B 409 3.923 -12.640 6.367 1.00 0.43 H new ATOM 0 HB2 TRP B 409 3.779 -10.162 6.347 1.00 0.43 H new ATOM 0 HB3 TRP B 409 2.959 -10.180 4.798 1.00 0.43 H new ATOM 0 HD1 TRP B 409 2.382 -11.496 8.403 1.00 0.50 H new ATOM 0 HE1 TRP B 409 -0.148 -11.456 8.931 1.00 0.53 H new ATOM 0 HE3 TRP B 409 0.654 -9.957 3.837 1.00 0.39 H new ATOM 0 HZ2 TRP B 409 -2.604 -10.832 7.517 1.00 0.50 H new ATOM 0 HZ3 TRP B 409 -1.785 -9.646 3.446 1.00 0.43 H new ATOM 0 HH2 TRP B 409 -3.416 -10.082 5.281 1.00 0.48 H new ATOM 1860 N ALA B 410 2.183 -12.601 3.573 1.00 0.42 N ATOM 1861 CA ALA B 410 1.185 -13.418 2.828 1.00 0.44 C ATOM 1862 C ALA B 410 1.736 -14.827 2.596 1.00 0.45 C ATOM 1863 O ALA B 410 0.996 -15.780 2.454 1.00 0.47 O ATOM 1864 CB ALA B 410 0.991 -12.688 1.500 1.00 0.51 C ATOM 0 H ALA B 410 2.476 -11.741 3.109 1.00 0.42 H new ATOM 0 HA ALA B 410 0.246 -13.528 3.370 1.00 0.44 H new ATOM 0 HB1 ALA B 410 0.267 -13.228 0.890 1.00 0.51 H new ATOM 0 HB2 ALA B 410 0.625 -11.679 1.690 1.00 0.51 H new ATOM 0 HB3 ALA B 410 1.943 -12.635 0.972 1.00 0.51 H new ATOM 1870 N ASP B 411 3.034 -14.964 2.561 1.00 0.48 N ATOM 1871 CA ASP B 411 3.638 -16.310 2.343 1.00 0.53 C ATOM 1872 C ASP B 411 3.608 -17.115 3.645 1.00 0.53 C ATOM 1873 O ASP B 411 3.159 -18.243 3.679 1.00 0.58 O ATOM 1874 CB ASP B 411 5.080 -16.034 1.915 1.00 0.60 C ATOM 1875 CG ASP B 411 5.732 -17.334 1.442 1.00 1.03 C ATOM 1876 OD1 ASP B 411 5.234 -18.389 1.800 1.00 1.78 O ATOM 1877 OD2 ASP B 411 6.719 -17.254 0.729 1.00 1.51 O ATOM 0 H ASP B 411 3.702 -14.202 2.674 1.00 0.48 H new ATOM 0 HA ASP B 411 3.098 -16.891 1.596 1.00 0.53 H new ATOM 0 HB2 ASP B 411 5.097 -15.294 1.115 1.00 0.60 H new ATOM 0 HB3 ASP B 411 5.644 -15.615 2.749 1.00 0.60 H new ATOM 1882 N ARG B 412 4.081 -16.543 4.719 1.00 0.52 N ATOM 1883 CA ARG B 412 4.076 -17.276 6.017 1.00 0.56 C ATOM 1884 C ARG B 412 2.656 -17.731 6.354 1.00 0.55 C ATOM 1885 O ARG B 412 2.442 -18.816 6.858 1.00 0.63 O ATOM 1886 CB ARG B 412 4.576 -16.263 7.048 1.00 0.58 C ATOM 1887 CG ARG B 412 5.606 -16.929 7.962 1.00 0.96 C ATOM 1888 CD ARG B 412 6.639 -15.891 8.409 1.00 1.50 C ATOM 1889 NE ARG B 412 7.920 -16.334 7.794 1.00 1.90 N ATOM 1890 CZ ARG B 412 8.944 -15.526 7.763 1.00 2.41 C ATOM 1891 NH1 ARG B 412 9.692 -15.378 8.823 1.00 3.02 N ATOM 1892 NH2 ARG B 412 9.221 -14.863 6.673 1.00 2.89 N ATOM 0 H ARG B 412 4.470 -15.601 4.754 1.00 0.52 H new ATOM 0 HA ARG B 412 4.700 -18.169 5.992 1.00 0.56 H new ATOM 0 HB2 ARG B 412 5.022 -15.406 6.544 1.00 0.58 H new ATOM 0 HB3 ARG B 412 3.740 -15.886 7.638 1.00 0.58 H new ATOM 0 HG2 ARG B 412 5.111 -17.362 8.831 1.00 0.96 H new ATOM 0 HG3 ARG B 412 6.100 -17.746 7.436 1.00 0.96 H new ATOM 0 HD2 ARG B 412 6.365 -14.891 8.073 1.00 1.50 H new ATOM 0 HD3 ARG B 412 6.715 -15.852 9.496 1.00 1.50 H new ATOM 0 HE ARG B 412 7.997 -17.270 7.396 1.00 1.90 H new ATOM 0 HH11 ARG B 412 9.476 -15.894 9.676 1.00 3.02 H new ATOM 0 HH12 ARG B 412 10.492 -14.746 8.798 1.00 3.02 H new ATOM 0 HH21 ARG B 412 8.637 -14.976 5.845 1.00 2.89 H new ATOM 0 HH22 ARG B 412 10.022 -14.232 6.650 1.00 2.89 H new ATOM 1906 N ALA B 413 1.684 -16.910 6.074 1.00 0.50 N ATOM 1907 CA ALA B 413 0.274 -17.292 6.370 1.00 0.53 C ATOM 1908 C ALA B 413 -0.193 -18.367 5.387 1.00 0.57 C ATOM 1909 O ALA B 413 -0.936 -19.263 5.736 1.00 0.66 O ATOM 1910 CB ALA B 413 -0.532 -16.006 6.186 1.00 0.53 C ATOM 0 H ALA B 413 1.804 -15.989 5.652 1.00 0.50 H new ATOM 0 HA ALA B 413 0.156 -17.703 7.372 1.00 0.53 H new ATOM 0 HB1 ALA B 413 -1.585 -16.205 6.387 1.00 0.53 H new ATOM 0 HB2 ALA B 413 -0.168 -15.246 6.878 1.00 0.53 H new ATOM 0 HB3 ALA B 413 -0.419 -15.649 5.162 1.00 0.53 H new ATOM 1916 N LEU B 414 0.241 -18.286 4.158 1.00 0.54 N ATOM 1917 CA LEU B 414 -0.175 -19.307 3.154 1.00 0.62 C ATOM 1918 C LEU B 414 0.212 -20.705 3.642 1.00 0.71 C ATOM 1919 O LEU B 414 -0.539 -21.650 3.511 1.00 0.82 O ATOM 1920 CB LEU B 414 0.596 -18.951 1.881 1.00 0.63 C ATOM 1921 CG LEU B 414 -0.385 -18.770 0.722 1.00 0.71 C ATOM 1922 CD1 LEU B 414 -1.198 -17.492 0.936 1.00 1.11 C ATOM 1923 CD2 LEU B 414 0.395 -18.661 -0.590 1.00 1.03 C ATOM 0 H LEU B 414 0.864 -17.559 3.807 1.00 0.54 H new ATOM 0 HA LEU B 414 -1.252 -19.311 2.987 1.00 0.62 H new ATOM 0 HB2 LEU B 414 1.167 -18.035 2.034 1.00 0.63 H new ATOM 0 HB3 LEU B 414 1.312 -19.738 1.645 1.00 0.63 H new ATOM 0 HG LEU B 414 -1.058 -19.626 0.678 1.00 0.71 H new ATOM 0 HD11 LEU B 414 -1.897 -17.363 0.110 1.00 1.11 H new ATOM 0 HD12 LEU B 414 -1.752 -17.565 1.872 1.00 1.11 H new ATOM 0 HD13 LEU B 414 -0.525 -16.636 0.979 1.00 1.11 H new ATOM 0 HD21 LEU B 414 -0.302 -18.532 -1.418 1.00 1.03 H new ATOM 0 HD22 LEU B 414 1.067 -17.804 -0.544 1.00 1.03 H new ATOM 0 HD23 LEU B 414 0.977 -19.570 -0.744 1.00 1.03 H new ATOM 1935 N ARG B 415 1.380 -20.839 4.209 1.00 0.73 N ATOM 1936 CA ARG B 415 1.821 -22.171 4.710 1.00 0.87 C ATOM 1937 C ARG B 415 1.403 -22.355 6.174 1.00 0.93 C ATOM 1938 O ARG B 415 2.134 -22.907 6.972 1.00 1.26 O ATOM 1939 CB ARG B 415 3.347 -22.156 4.585 1.00 1.02 C ATOM 1940 CG ARG B 415 3.739 -21.828 3.143 1.00 1.40 C ATOM 1941 CD ARG B 415 5.147 -22.356 2.864 1.00 1.61 C ATOM 1942 NE ARG B 415 6.061 -21.381 3.522 1.00 2.27 N ATOM 1943 CZ ARG B 415 7.289 -21.255 3.104 1.00 2.92 C ATOM 1944 NH1 ARG B 415 7.567 -20.424 2.135 1.00 3.70 N ATOM 1945 NH2 ARG B 415 8.242 -21.957 3.653 1.00 3.32 N ATOM 0 H ARG B 415 2.049 -20.081 4.347 1.00 0.73 H new ATOM 0 HA ARG B 415 1.373 -22.991 4.149 1.00 0.87 H new ATOM 0 HB2 ARG B 415 3.771 -21.417 5.265 1.00 1.02 H new ATOM 0 HB3 ARG B 415 3.755 -23.125 4.872 1.00 1.02 H new ATOM 0 HG2 ARG B 415 3.027 -22.277 2.450 1.00 1.40 H new ATOM 0 HG3 ARG B 415 3.705 -20.751 2.982 1.00 1.40 H new ATOM 0 HD2 ARG B 415 5.280 -23.359 3.270 1.00 1.61 H new ATOM 0 HD3 ARG B 415 5.340 -22.418 1.793 1.00 1.61 H new ATOM 0 HE ARG B 415 5.726 -20.812 4.299 1.00 2.27 H new ATOM 0 HH11 ARG B 415 6.823 -19.874 1.706 1.00 3.70 H new ATOM 0 HH12 ARG B 415 8.528 -20.325 1.808 1.00 3.70 H new ATOM 0 HH21 ARG B 415 8.026 -22.605 4.410 1.00 3.32 H new ATOM 0 HH22 ARG B 415 9.203 -21.857 3.325 1.00 3.32 H new ATOM 1959 N SER B 416 0.234 -21.897 6.532 1.00 0.90 N ATOM 1960 CA SER B 416 -0.226 -22.047 7.943 1.00 0.99 C ATOM 1961 C SER B 416 -1.738 -21.817 8.033 1.00 0.99 C ATOM 1962 O SER B 416 -2.252 -21.398 9.051 1.00 1.63 O ATOM 1963 CB SER B 416 0.527 -20.970 8.722 1.00 1.20 C ATOM 1964 OG SER B 416 0.261 -21.122 10.111 1.00 1.70 O ATOM 0 H SER B 416 -0.422 -21.426 5.909 1.00 0.90 H new ATOM 0 HA SER B 416 -0.032 -23.045 8.337 1.00 0.99 H new ATOM 0 HB2 SER B 416 1.598 -21.051 8.534 1.00 1.20 H new ATOM 0 HB3 SER B 416 0.218 -19.980 8.387 1.00 1.20 H new ATOM 0 HG SER B 416 -0.698 -21.270 10.246 1.00 1.70 H new ATOM 1970 N GLY B 417 -2.452 -22.089 6.975 1.00 1.06 N ATOM 1971 CA GLY B 417 -3.929 -21.888 7.000 1.00 1.06 C ATOM 1972 C GLY B 417 -4.245 -20.395 6.894 1.00 0.99 C ATOM 1973 O GLY B 417 -4.773 -19.796 7.809 1.00 1.31 O ATOM 0 H GLY B 417 -2.077 -22.442 6.095 1.00 1.06 H new ATOM 0 HA2 GLY B 417 -4.394 -22.428 6.175 1.00 1.06 H new ATOM 0 HA3 GLY B 417 -4.346 -22.294 7.922 1.00 1.06 H new ATOM 1977 N HIS B 418 -3.927 -19.788 5.782 1.00 0.78 N ATOM 1978 CA HIS B 418 -4.211 -18.335 5.619 1.00 0.88 C ATOM 1979 C HIS B 418 -5.721 -18.093 5.546 1.00 0.89 C ATOM 1980 O HIS B 418 -6.509 -19.019 5.541 1.00 1.17 O ATOM 1981 CB HIS B 418 -3.541 -17.947 4.300 1.00 1.01 C ATOM 1982 CG HIS B 418 -4.126 -18.764 3.180 1.00 1.69 C ATOM 1983 ND1 HIS B 418 -3.584 -19.979 2.788 1.00 2.18 N ATOM 1984 CD2 HIS B 418 -5.205 -18.553 2.357 1.00 2.31 C ATOM 1985 CE1 HIS B 418 -4.331 -20.448 1.772 1.00 2.86 C ATOM 1986 NE2 HIS B 418 -5.333 -19.618 1.470 1.00 2.97 N ATOM 0 H HIS B 418 -3.483 -20.236 4.980 1.00 0.78 H new ATOM 0 HA HIS B 418 -3.837 -17.746 6.456 1.00 0.88 H new ATOM 0 HB2 HIS B 418 -3.687 -16.885 4.104 1.00 1.01 H new ATOM 0 HB3 HIS B 418 -2.466 -18.114 4.363 1.00 1.01 H new ATOM 0 HD1 HIS B 418 -2.767 -20.434 3.196 1.00 2.18 H new ATOM 0 HD2 HIS B 418 -5.855 -17.692 2.393 1.00 2.31 H new ATOM 0 HE1 HIS B 418 -4.143 -21.382 1.263 1.00 2.86 H new ATOM 1994 N GLN B 419 -6.130 -16.856 5.485 1.00 1.08 N ATOM 1995 CA GLN B 419 -7.586 -16.550 5.409 1.00 1.24 C ATOM 1996 C GLN B 419 -7.793 -15.072 5.069 1.00 1.03 C ATOM 1997 O GLN B 419 -8.160 -14.725 3.965 1.00 1.28 O ATOM 1998 CB GLN B 419 -8.132 -16.864 6.803 1.00 1.71 C ATOM 1999 CG GLN B 419 -9.615 -16.491 6.867 1.00 2.32 C ATOM 2000 CD GLN B 419 -10.442 -17.736 7.192 1.00 2.91 C ATOM 2001 OE1 GLN B 419 -11.284 -18.141 6.415 1.00 3.29 O ATOM 2002 NE2 GLN B 419 -10.240 -18.363 8.318 1.00 3.52 N ATOM 0 H GLN B 419 -5.516 -16.041 5.485 1.00 1.08 H new ATOM 0 HA GLN B 419 -8.092 -17.129 4.637 1.00 1.24 H new ATOM 0 HB2 GLN B 419 -8.003 -17.923 7.026 1.00 1.71 H new ATOM 0 HB3 GLN B 419 -7.574 -16.309 7.557 1.00 1.71 H new ATOM 0 HG2 GLN B 419 -9.776 -15.726 7.627 1.00 2.32 H new ATOM 0 HG3 GLN B 419 -9.935 -16.067 5.915 1.00 2.32 H new ATOM 0 HE21 GLN B 419 -9.533 -18.024 8.971 1.00 3.52 H new ATOM 0 HE22 GLN B 419 -10.789 -19.192 8.545 1.00 3.52 H new ATOM 2011 N ASN B 420 -7.558 -14.198 6.009 1.00 0.78 N ATOM 2012 CA ASN B 420 -7.738 -12.745 5.738 1.00 0.70 C ATOM 2013 C ASN B 420 -6.451 -12.158 5.152 1.00 0.58 C ATOM 2014 O ASN B 420 -5.829 -11.292 5.735 1.00 0.70 O ATOM 2015 CB ASN B 420 -8.042 -12.121 7.101 1.00 0.86 C ATOM 2016 CG ASN B 420 -9.551 -11.919 7.241 1.00 1.35 C ATOM 2017 OD1 ASN B 420 -10.331 -12.699 6.729 1.00 1.96 O ATOM 2018 ND2 ASN B 420 -10.001 -10.899 7.919 1.00 1.87 N ATOM 0 H ASN B 420 -7.249 -14.428 6.953 1.00 0.78 H new ATOM 0 HA ASN B 420 -8.533 -12.553 5.018 1.00 0.70 H new ATOM 0 HB2 ASN B 420 -7.675 -12.766 7.899 1.00 0.86 H new ATOM 0 HB3 ASN B 420 -7.525 -11.166 7.200 1.00 0.86 H new ATOM 0 HD21 ASN B 420 -11.006 -10.757 8.019 1.00 1.87 H new ATOM 0 HD22 ASN B 420 -9.348 -10.244 8.349 1.00 1.87 H new ATOM 2025 N LEU B 421 -6.046 -12.626 4.002 1.00 0.45 N ATOM 2026 CA LEU B 421 -4.798 -12.098 3.378 1.00 0.40 C ATOM 2027 C LEU B 421 -5.009 -10.656 2.909 1.00 0.39 C ATOM 2028 O LEU B 421 -4.298 -9.753 3.303 1.00 0.53 O ATOM 2029 CB LEU B 421 -4.538 -13.015 2.182 1.00 0.42 C ATOM 2030 CG LEU B 421 -3.579 -14.133 2.593 1.00 0.39 C ATOM 2031 CD1 LEU B 421 -3.613 -15.246 1.544 1.00 0.50 C ATOM 2032 CD2 LEU B 421 -2.157 -13.575 2.694 1.00 0.41 C ATOM 0 H LEU B 421 -6.525 -13.351 3.468 1.00 0.45 H new ATOM 0 HA LEU B 421 -3.961 -12.086 4.076 1.00 0.40 H new ATOM 0 HB2 LEU B 421 -5.476 -13.440 1.825 1.00 0.42 H new ATOM 0 HB3 LEU B 421 -4.113 -12.443 1.357 1.00 0.42 H new ATOM 0 HG LEU B 421 -3.883 -14.534 3.560 1.00 0.39 H new ATOM 0 HD11 LEU B 421 -2.929 -16.043 1.837 1.00 0.50 H new ATOM 0 HD12 LEU B 421 -4.625 -15.645 1.469 1.00 0.50 H new ATOM 0 HD13 LEU B 421 -3.309 -14.844 0.577 1.00 0.50 H new ATOM 0 HD21 LEU B 421 -1.473 -14.372 2.987 1.00 0.41 H new ATOM 0 HD22 LEU B 421 -1.854 -13.174 1.727 1.00 0.41 H new ATOM 0 HD23 LEU B 421 -2.130 -12.781 3.440 1.00 0.41 H new ATOM 2044 N LEU B 422 -5.978 -10.435 2.063 1.00 0.33 N ATOM 2045 CA LEU B 422 -6.232 -9.056 1.563 1.00 0.34 C ATOM 2046 C LEU B 422 -7.182 -8.310 2.503 1.00 0.34 C ATOM 2047 O LEU B 422 -7.175 -7.098 2.573 1.00 0.37 O ATOM 2048 CB LEU B 422 -6.882 -9.249 0.193 1.00 0.37 C ATOM 2049 CG LEU B 422 -5.802 -9.237 -0.890 1.00 0.38 C ATOM 2050 CD1 LEU B 422 -6.403 -9.693 -2.220 1.00 0.59 C ATOM 2051 CD2 LEU B 422 -5.248 -7.818 -1.042 1.00 0.63 C ATOM 0 H LEU B 422 -6.605 -11.151 1.697 1.00 0.33 H new ATOM 0 HA LEU B 422 -5.318 -8.466 1.507 1.00 0.34 H new ATOM 0 HB2 LEU B 422 -7.428 -10.192 0.167 1.00 0.37 H new ATOM 0 HB3 LEU B 422 -7.607 -8.456 0.008 1.00 0.37 H new ATOM 0 HG LEU B 422 -4.997 -9.915 -0.605 1.00 0.38 H new ATOM 0 HD11 LEU B 422 -5.632 -9.684 -2.990 1.00 0.59 H new ATOM 0 HD12 LEU B 422 -6.797 -10.704 -2.114 1.00 0.59 H new ATOM 0 HD13 LEU B 422 -7.209 -9.017 -2.506 1.00 0.59 H new ATOM 0 HD21 LEU B 422 -4.478 -7.809 -1.814 1.00 0.63 H new ATOM 0 HD22 LEU B 422 -6.054 -7.141 -1.325 1.00 0.63 H new ATOM 0 HD23 LEU B 422 -4.817 -7.492 -0.095 1.00 0.63 H new ATOM 2063 N SER B 423 -8.003 -9.023 3.222 1.00 0.35 N ATOM 2064 CA SER B 423 -8.959 -8.353 4.152 1.00 0.38 C ATOM 2065 C SER B 423 -8.206 -7.629 5.274 1.00 0.36 C ATOM 2066 O SER B 423 -8.743 -6.756 5.927 1.00 0.39 O ATOM 2067 CB SER B 423 -9.810 -9.485 4.726 1.00 0.44 C ATOM 2068 OG SER B 423 -10.735 -8.948 5.661 1.00 1.23 O ATOM 0 H SER B 423 -8.055 -10.042 3.207 1.00 0.35 H new ATOM 0 HA SER B 423 -9.562 -7.600 3.644 1.00 0.38 H new ATOM 0 HB2 SER B 423 -10.342 -9.998 3.925 1.00 0.44 H new ATOM 0 HB3 SER B 423 -9.173 -10.225 5.211 1.00 0.44 H new ATOM 0 HG SER B 423 -11.284 -9.671 6.030 1.00 1.23 H new ATOM 2074 N GLU B 424 -6.971 -7.982 5.507 1.00 0.34 N ATOM 2075 CA GLU B 424 -6.197 -7.312 6.592 1.00 0.36 C ATOM 2076 C GLU B 424 -5.539 -6.031 6.070 1.00 0.32 C ATOM 2077 O GLU B 424 -5.651 -4.979 6.665 1.00 0.33 O ATOM 2078 CB GLU B 424 -5.135 -8.329 7.009 1.00 0.38 C ATOM 2079 CG GLU B 424 -5.223 -8.569 8.518 1.00 0.57 C ATOM 2080 CD GLU B 424 -4.416 -9.815 8.886 1.00 0.81 C ATOM 2081 OE1 GLU B 424 -4.967 -10.901 8.803 1.00 1.54 O ATOM 2082 OE2 GLU B 424 -3.260 -9.663 9.245 1.00 1.22 O ATOM 0 H GLU B 424 -6.465 -8.704 4.994 1.00 0.34 H new ATOM 0 HA GLU B 424 -6.833 -7.020 7.427 1.00 0.36 H new ATOM 0 HB2 GLU B 424 -5.283 -9.266 6.472 1.00 0.38 H new ATOM 0 HB3 GLU B 424 -4.143 -7.963 6.745 1.00 0.38 H new ATOM 0 HG2 GLU B 424 -4.840 -7.703 9.057 1.00 0.57 H new ATOM 0 HG3 GLU B 424 -6.264 -8.696 8.816 1.00 0.57 H new ATOM 2089 N ALA B 425 -4.853 -6.113 4.963 1.00 0.31 N ATOM 2090 CA ALA B 425 -4.187 -4.898 4.408 1.00 0.29 C ATOM 2091 C ALA B 425 -5.215 -3.992 3.721 1.00 0.28 C ATOM 2092 O ALA B 425 -5.026 -2.798 3.609 1.00 0.28 O ATOM 2093 CB ALA B 425 -3.178 -5.432 3.392 1.00 0.29 C ATOM 0 H ALA B 425 -4.724 -6.966 4.419 1.00 0.31 H new ATOM 0 HA ALA B 425 -3.709 -4.299 5.183 1.00 0.29 H new ATOM 0 HB1 ALA B 425 -2.644 -4.598 2.937 1.00 0.29 H new ATOM 0 HB2 ALA B 425 -2.467 -6.087 3.895 1.00 0.29 H new ATOM 0 HB3 ALA B 425 -3.703 -5.993 2.618 1.00 0.29 H new ATOM 2099 N GLN B 426 -6.300 -4.552 3.261 1.00 0.30 N ATOM 2100 CA GLN B 426 -7.339 -3.726 2.581 1.00 0.31 C ATOM 2101 C GLN B 426 -7.720 -2.510 3.440 1.00 0.30 C ATOM 2102 O GLN B 426 -7.644 -1.389 2.978 1.00 0.30 O ATOM 2103 CB GLN B 426 -8.541 -4.655 2.408 1.00 0.36 C ATOM 2104 CG GLN B 426 -8.526 -5.247 0.998 1.00 0.45 C ATOM 2105 CD GLN B 426 -9.737 -6.164 0.814 1.00 0.53 C ATOM 2106 OE1 GLN B 426 -9.608 -7.372 0.844 1.00 1.23 O ATOM 2107 NE2 GLN B 426 -10.916 -5.638 0.622 1.00 1.09 N ATOM 0 H GLN B 426 -6.513 -5.547 3.327 1.00 0.30 H new ATOM 0 HA GLN B 426 -6.982 -3.335 1.628 1.00 0.31 H new ATOM 0 HB2 GLN B 426 -8.508 -5.453 3.150 1.00 0.36 H new ATOM 0 HB3 GLN B 426 -9.467 -4.104 2.573 1.00 0.36 H new ATOM 0 HG2 GLN B 426 -8.546 -4.448 0.257 1.00 0.45 H new ATOM 0 HG3 GLN B 426 -7.605 -5.807 0.838 1.00 0.45 H new ATOM 0 HE21 GLN B 426 -11.024 -4.624 0.597 1.00 1.09 H new ATOM 0 HE22 GLN B 426 -11.729 -6.241 0.497 1.00 1.09 H new ATOM 2116 N PRO B 427 -8.125 -2.764 4.663 1.00 0.32 N ATOM 2117 CA PRO B 427 -8.520 -1.653 5.567 1.00 0.34 C ATOM 2118 C PRO B 427 -7.301 -0.807 5.945 1.00 0.31 C ATOM 2119 O PRO B 427 -7.430 0.318 6.383 1.00 0.35 O ATOM 2120 CB PRO B 427 -9.105 -2.366 6.783 1.00 0.39 C ATOM 2121 CG PRO B 427 -8.483 -3.723 6.768 1.00 0.38 C ATOM 2122 CD PRO B 427 -8.251 -4.073 5.321 1.00 0.35 C ATOM 0 HA PRO B 427 -9.229 -0.961 5.112 1.00 0.34 H new ATOM 0 HB2 PRO B 427 -8.869 -1.834 7.704 1.00 0.39 H new ATOM 0 HB3 PRO B 427 -10.191 -2.429 6.720 1.00 0.39 H new ATOM 0 HG2 PRO B 427 -7.545 -3.725 7.323 1.00 0.38 H new ATOM 0 HG3 PRO B 427 -9.136 -4.454 7.244 1.00 0.38 H new ATOM 0 HD2 PRO B 427 -7.351 -4.674 5.194 1.00 0.35 H new ATOM 0 HD3 PRO B 427 -9.080 -4.650 4.910 1.00 0.35 H new ATOM 2130 N GLU B 428 -6.119 -1.332 5.769 1.00 0.29 N ATOM 2131 CA GLU B 428 -4.901 -0.541 6.107 1.00 0.29 C ATOM 2132 C GLU B 428 -4.694 0.550 5.055 1.00 0.27 C ATOM 2133 O GLU B 428 -4.363 1.677 5.366 1.00 0.32 O ATOM 2134 CB GLU B 428 -3.749 -1.547 6.078 1.00 0.29 C ATOM 2135 CG GLU B 428 -3.056 -1.569 7.442 1.00 0.71 C ATOM 2136 CD GLU B 428 -2.386 -2.928 7.653 1.00 1.36 C ATOM 2137 OE1 GLU B 428 -1.347 -3.154 7.055 1.00 2.07 O ATOM 2138 OE2 GLU B 428 -2.923 -3.720 8.410 1.00 2.11 O ATOM 0 H GLU B 428 -5.944 -2.270 5.408 1.00 0.29 H new ATOM 0 HA GLU B 428 -4.975 -0.048 7.076 1.00 0.29 H new ATOM 0 HB2 GLU B 428 -4.126 -2.540 5.834 1.00 0.29 H new ATOM 0 HB3 GLU B 428 -3.035 -1.276 5.300 1.00 0.29 H new ATOM 0 HG2 GLU B 428 -2.313 -0.773 7.497 1.00 0.71 H new ATOM 0 HG3 GLU B 428 -3.782 -1.383 8.233 1.00 0.71 H new ATOM 2145 N LEU B 429 -4.901 0.222 3.807 1.00 0.25 N ATOM 2146 CA LEU B 429 -4.733 1.236 2.727 1.00 0.26 C ATOM 2147 C LEU B 429 -5.886 2.243 2.786 1.00 0.25 C ATOM 2148 O LEU B 429 -5.694 3.432 2.628 1.00 0.28 O ATOM 2149 CB LEU B 429 -4.778 0.427 1.423 1.00 0.26 C ATOM 2150 CG LEU B 429 -4.887 1.369 0.220 1.00 0.29 C ATOM 2151 CD1 LEU B 429 -3.591 2.162 0.069 1.00 0.45 C ATOM 2152 CD2 LEU B 429 -5.130 0.549 -1.048 1.00 0.56 C ATOM 0 H LEU B 429 -5.180 -0.706 3.489 1.00 0.25 H new ATOM 0 HA LEU B 429 -3.807 1.805 2.816 1.00 0.26 H new ATOM 0 HB2 LEU B 429 -3.880 -0.185 1.335 1.00 0.26 H new ATOM 0 HB3 LEU B 429 -5.628 -0.255 1.439 1.00 0.26 H new ATOM 0 HG LEU B 429 -5.717 2.058 0.376 1.00 0.29 H new ATOM 0 HD11 LEU B 429 -3.672 2.831 -0.788 1.00 0.45 H new ATOM 0 HD12 LEU B 429 -3.415 2.747 0.972 1.00 0.45 H new ATOM 0 HD13 LEU B 429 -2.759 1.474 -0.085 1.00 0.45 H new ATOM 0 HD21 LEU B 429 -5.208 1.218 -1.905 1.00 0.56 H new ATOM 0 HD22 LEU B 429 -4.300 -0.140 -1.200 1.00 0.56 H new ATOM 0 HD23 LEU B 429 -6.056 -0.016 -0.944 1.00 0.56 H new ATOM 2164 N GLU B 430 -7.080 1.771 3.012 1.00 0.26 N ATOM 2165 CA GLU B 430 -8.246 2.695 3.081 1.00 0.28 C ATOM 2166 C GLU B 430 -8.158 3.564 4.339 1.00 0.30 C ATOM 2167 O GLU B 430 -8.537 4.716 4.335 1.00 0.33 O ATOM 2168 CB GLU B 430 -9.471 1.780 3.145 1.00 0.30 C ATOM 2169 CG GLU B 430 -10.736 2.602 2.887 1.00 0.61 C ATOM 2170 CD GLU B 430 -11.352 3.023 4.222 1.00 1.45 C ATOM 2171 OE1 GLU B 430 -10.759 3.854 4.890 1.00 2.05 O ATOM 2172 OE2 GLU B 430 -12.406 2.509 4.554 1.00 2.17 O ATOM 0 H GLU B 430 -7.299 0.785 3.152 1.00 0.26 H new ATOM 0 HA GLU B 430 -8.288 3.374 2.229 1.00 0.28 H new ATOM 0 HB2 GLU B 430 -9.384 0.985 2.404 1.00 0.30 H new ATOM 0 HB3 GLU B 430 -9.529 1.300 4.122 1.00 0.30 H new ATOM 0 HG2 GLU B 430 -10.495 3.483 2.292 1.00 0.61 H new ATOM 0 HG3 GLU B 430 -11.453 2.015 2.313 1.00 0.61 H new ATOM 2179 N ARG B 431 -7.661 3.020 5.416 1.00 0.33 N ATOM 2180 CA ARG B 431 -7.553 3.817 6.673 1.00 0.37 C ATOM 2181 C ARG B 431 -6.586 4.990 6.482 1.00 0.36 C ATOM 2182 O ARG B 431 -6.924 6.130 6.727 1.00 0.38 O ATOM 2183 CB ARG B 431 -7.009 2.841 7.716 1.00 0.41 C ATOM 2184 CG ARG B 431 -6.856 3.562 9.057 1.00 0.59 C ATOM 2185 CD ARG B 431 -6.144 2.643 10.054 1.00 1.32 C ATOM 2186 NE ARG B 431 -7.214 2.177 10.978 1.00 1.56 N ATOM 2187 CZ ARG B 431 -7.028 2.221 12.269 1.00 2.19 C ATOM 2188 NH1 ARG B 431 -5.899 1.810 12.780 1.00 2.78 N ATOM 2189 NH2 ARG B 431 -7.970 2.675 13.049 1.00 2.87 N ATOM 0 H ARG B 431 -7.325 2.059 5.481 1.00 0.33 H new ATOM 0 HA ARG B 431 -8.511 4.243 6.971 1.00 0.37 H new ATOM 0 HB2 ARG B 431 -7.684 1.992 7.822 1.00 0.41 H new ATOM 0 HB3 ARG B 431 -6.047 2.445 7.392 1.00 0.41 H new ATOM 0 HG2 ARG B 431 -6.287 4.482 8.924 1.00 0.59 H new ATOM 0 HG3 ARG B 431 -7.835 3.846 9.443 1.00 0.59 H new ATOM 0 HD2 ARG B 431 -5.667 1.804 9.547 1.00 1.32 H new ATOM 0 HD3 ARG B 431 -5.361 3.176 10.593 1.00 1.32 H new ATOM 0 HE ARG B 431 -8.093 1.823 10.602 1.00 1.56 H new ATOM 0 HH11 ARG B 431 -5.163 1.455 12.170 1.00 2.78 H new ATOM 0 HH12 ARG B 431 -5.753 1.844 13.789 1.00 2.78 H new ATOM 0 HH21 ARG B 431 -8.852 2.996 12.650 1.00 2.87 H new ATOM 0 HH22 ARG B 431 -7.824 2.709 14.058 1.00 2.87 H new ATOM 2203 N THR B 432 -5.385 4.717 6.051 1.00 0.41 N ATOM 2204 CA THR B 432 -4.397 5.817 5.850 1.00 0.45 C ATOM 2205 C THR B 432 -4.973 6.893 4.925 1.00 0.40 C ATOM 2206 O THR B 432 -5.066 8.049 5.285 1.00 0.56 O ATOM 2207 CB THR B 432 -3.186 5.145 5.201 1.00 0.53 C ATOM 2208 OG1 THR B 432 -2.865 3.960 5.915 1.00 0.61 O ATOM 2209 CG2 THR B 432 -1.993 6.102 5.230 1.00 0.62 C ATOM 0 H THR B 432 -5.045 3.781 5.829 1.00 0.41 H new ATOM 0 HA THR B 432 -4.139 6.313 6.786 1.00 0.45 H new ATOM 0 HB THR B 432 -3.420 4.893 4.167 1.00 0.53 H new ATOM 0 HG1 THR B 432 -3.348 3.202 5.524 1.00 0.61 H new ATOM 0 HG21 THR B 432 -1.130 5.622 4.767 1.00 0.62 H new ATOM 0 HG22 THR B 432 -2.241 7.010 4.680 1.00 0.62 H new ATOM 0 HG23 THR B 432 -1.756 6.357 6.263 1.00 0.62 H new ATOM 2217 N LEU B 433 -5.356 6.521 3.735 1.00 0.33 N ATOM 2218 CA LEU B 433 -5.919 7.524 2.784 1.00 0.30 C ATOM 2219 C LEU B 433 -7.157 8.197 3.386 1.00 0.27 C ATOM 2220 O LEU B 433 -7.285 9.406 3.369 1.00 0.25 O ATOM 2221 CB LEU B 433 -6.300 6.719 1.541 1.00 0.37 C ATOM 2222 CG LEU B 433 -5.762 7.423 0.294 1.00 0.42 C ATOM 2223 CD1 LEU B 433 -6.354 8.831 0.206 1.00 0.41 C ATOM 2224 CD2 LEU B 433 -4.238 7.515 0.382 1.00 0.44 C ATOM 0 H LEU B 433 -5.304 5.567 3.379 1.00 0.33 H new ATOM 0 HA LEU B 433 -5.208 8.318 2.557 1.00 0.30 H new ATOM 0 HB2 LEU B 433 -5.891 5.711 1.608 1.00 0.37 H new ATOM 0 HB3 LEU B 433 -7.384 6.620 1.477 1.00 0.37 H new ATOM 0 HG LEU B 433 -6.043 6.856 -0.594 1.00 0.42 H new ATOM 0 HD11 LEU B 433 -5.970 9.332 -0.683 1.00 0.41 H new ATOM 0 HD12 LEU B 433 -7.440 8.766 0.145 1.00 0.41 H new ATOM 0 HD13 LEU B 433 -6.074 9.400 1.093 1.00 0.41 H new ATOM 0 HD21 LEU B 433 -3.852 8.016 -0.506 1.00 0.44 H new ATOM 0 HD22 LEU B 433 -3.958 8.082 1.270 1.00 0.44 H new ATOM 0 HD23 LEU B 433 -3.816 6.512 0.445 1.00 0.44 H new ATOM 2236 N LEU B 434 -8.070 7.428 3.913 1.00 0.32 N ATOM 2237 CA LEU B 434 -9.300 8.027 4.509 1.00 0.32 C ATOM 2238 C LEU B 434 -8.933 9.147 5.486 1.00 0.29 C ATOM 2239 O LEU B 434 -9.366 10.272 5.344 1.00 0.30 O ATOM 2240 CB LEU B 434 -9.986 6.877 5.248 1.00 0.41 C ATOM 2241 CG LEU B 434 -11.285 7.379 5.878 1.00 0.65 C ATOM 2242 CD1 LEU B 434 -12.451 7.111 4.925 1.00 0.84 C ATOM 2243 CD2 LEU B 434 -11.527 6.644 7.199 1.00 1.14 C ATOM 0 H LEU B 434 -8.018 6.410 3.957 1.00 0.32 H new ATOM 0 HA LEU B 434 -9.946 8.470 3.751 1.00 0.32 H new ATOM 0 HB2 LEU B 434 -10.196 6.061 4.557 1.00 0.41 H new ATOM 0 HB3 LEU B 434 -9.325 6.480 6.019 1.00 0.41 H new ATOM 0 HG LEU B 434 -11.208 8.450 6.066 1.00 0.65 H new ATOM 0 HD11 LEU B 434 -13.378 7.469 5.374 1.00 0.84 H new ATOM 0 HD12 LEU B 434 -12.279 7.633 3.984 1.00 0.84 H new ATOM 0 HD13 LEU B 434 -12.529 6.040 4.737 1.00 0.84 H new ATOM 0 HD21 LEU B 434 -12.453 7.001 7.650 1.00 1.14 H new ATOM 0 HD22 LEU B 434 -11.604 5.573 7.011 1.00 1.14 H new ATOM 0 HD23 LEU B 434 -10.696 6.834 7.879 1.00 1.14 H new ATOM 2255 N THR B 435 -8.140 8.848 6.479 1.00 0.34 N ATOM 2256 CA THR B 435 -7.753 9.902 7.460 1.00 0.37 C ATOM 2257 C THR B 435 -7.055 11.059 6.743 1.00 0.35 C ATOM 2258 O THR B 435 -7.235 12.210 7.084 1.00 0.39 O ATOM 2259 CB THR B 435 -6.791 9.210 8.429 1.00 0.45 C ATOM 2260 OG1 THR B 435 -7.363 7.988 8.872 1.00 0.52 O ATOM 2261 CG2 THR B 435 -6.533 10.122 9.630 1.00 0.55 C ATOM 0 H THR B 435 -7.745 7.924 6.653 1.00 0.34 H new ATOM 0 HA THR B 435 -8.616 10.323 7.976 1.00 0.37 H new ATOM 0 HB THR B 435 -5.848 9.005 7.922 1.00 0.45 H new ATOM 0 HG1 THR B 435 -7.112 7.267 8.257 1.00 0.52 H new ATOM 0 HG21 THR B 435 -5.848 9.630 10.320 1.00 0.55 H new ATOM 0 HG22 THR B 435 -6.092 11.058 9.288 1.00 0.55 H new ATOM 0 HG23 THR B 435 -7.475 10.329 10.139 1.00 0.55 H new ATOM 2269 N THR B 436 -6.261 10.763 5.750 1.00 0.33 N ATOM 2270 CA THR B 436 -5.555 11.851 5.014 1.00 0.36 C ATOM 2271 C THR B 436 -6.570 12.781 4.349 1.00 0.36 C ATOM 2272 O THR B 436 -6.748 13.912 4.759 1.00 0.40 O ATOM 2273 CB THR B 436 -4.708 11.134 3.962 1.00 0.38 C ATOM 2274 OG1 THR B 436 -3.745 10.315 4.610 1.00 0.39 O ATOM 2275 CG2 THR B 436 -3.996 12.167 3.088 1.00 0.49 C ATOM 0 H THR B 436 -6.071 9.818 5.417 1.00 0.33 H new ATOM 0 HA THR B 436 -4.944 12.469 5.673 1.00 0.36 H new ATOM 0 HB THR B 436 -5.351 10.514 3.337 1.00 0.38 H new ATOM 0 HG1 THR B 436 -4.184 9.515 4.968 1.00 0.39 H new ATOM 0 HG21 THR B 436 -3.392 11.655 2.338 1.00 0.49 H new ATOM 0 HG22 THR B 436 -4.736 12.795 2.591 1.00 0.49 H new ATOM 0 HG23 THR B 436 -3.352 12.788 3.710 1.00 0.49 H new ATOM 2283 N ALA B 437 -7.244 12.320 3.330 1.00 0.34 N ATOM 2284 CA ALA B 437 -8.251 13.188 2.652 1.00 0.36 C ATOM 2285 C ALA B 437 -9.229 13.751 3.684 1.00 0.36 C ATOM 2286 O ALA B 437 -9.636 14.893 3.605 1.00 0.41 O ATOM 2287 CB ALA B 437 -8.970 12.267 1.665 1.00 0.35 C ATOM 0 H ALA B 437 -7.142 11.384 2.938 1.00 0.34 H new ATOM 0 HA ALA B 437 -7.797 14.040 2.146 1.00 0.36 H new ATOM 0 HB1 ALA B 437 -9.729 12.834 1.125 1.00 0.35 H new ATOM 0 HB2 ALA B 437 -8.249 11.860 0.956 1.00 0.35 H new ATOM 0 HB3 ALA B 437 -9.445 11.451 2.209 1.00 0.35 H new ATOM 2293 N LEU B 438 -9.598 12.967 4.662 1.00 0.34 N ATOM 2294 CA LEU B 438 -10.534 13.484 5.696 1.00 0.36 C ATOM 2295 C LEU B 438 -9.887 14.671 6.408 1.00 0.42 C ATOM 2296 O LEU B 438 -10.541 15.641 6.735 1.00 0.46 O ATOM 2297 CB LEU B 438 -10.767 12.325 6.672 1.00 0.36 C ATOM 2298 CG LEU B 438 -11.536 12.830 7.904 1.00 0.41 C ATOM 2299 CD1 LEU B 438 -12.812 13.555 7.466 1.00 0.42 C ATOM 2300 CD2 LEU B 438 -11.916 11.646 8.795 1.00 0.45 C ATOM 0 H LEU B 438 -9.294 12.001 4.787 1.00 0.34 H new ATOM 0 HA LEU B 438 -11.477 13.826 5.269 1.00 0.36 H new ATOM 0 HB2 LEU B 438 -11.329 11.531 6.181 1.00 0.36 H new ATOM 0 HB3 LEU B 438 -9.812 11.897 6.978 1.00 0.36 H new ATOM 0 HG LEU B 438 -10.899 13.520 8.457 1.00 0.41 H new ATOM 0 HD11 LEU B 438 -13.350 13.909 8.346 1.00 0.42 H new ATOM 0 HD12 LEU B 438 -12.550 14.404 6.835 1.00 0.42 H new ATOM 0 HD13 LEU B 438 -13.446 12.869 6.905 1.00 0.42 H new ATOM 0 HD21 LEU B 438 -12.461 12.007 9.667 1.00 0.45 H new ATOM 0 HD22 LEU B 438 -12.546 10.956 8.234 1.00 0.45 H new ATOM 0 HD23 LEU B 438 -11.012 11.130 9.120 1.00 0.45 H new ATOM 2312 N ARG B 439 -8.600 14.610 6.646 1.00 0.43 N ATOM 2313 CA ARG B 439 -7.918 15.749 7.328 1.00 0.50 C ATOM 2314 C ARG B 439 -8.275 17.053 6.611 1.00 0.54 C ATOM 2315 O ARG B 439 -8.546 18.062 7.231 1.00 0.60 O ATOM 2316 CB ARG B 439 -6.422 15.454 7.205 1.00 0.52 C ATOM 2317 CG ARG B 439 -5.631 16.472 8.029 1.00 0.77 C ATOM 2318 CD ARG B 439 -5.265 17.670 7.148 1.00 1.27 C ATOM 2319 NE ARG B 439 -3.807 17.881 7.369 1.00 1.73 N ATOM 2320 CZ ARG B 439 -3.369 19.039 7.781 1.00 2.28 C ATOM 2321 NH1 ARG B 439 -4.016 19.687 8.712 1.00 2.89 N ATOM 2322 NH2 ARG B 439 -2.287 19.550 7.261 1.00 2.81 N ATOM 0 H ARG B 439 -7.997 13.825 6.399 1.00 0.43 H new ATOM 0 HA ARG B 439 -8.216 15.857 8.371 1.00 0.50 H new ATOM 0 HB2 ARG B 439 -6.210 14.444 7.555 1.00 0.52 H new ATOM 0 HB3 ARG B 439 -6.116 15.500 6.160 1.00 0.52 H new ATOM 0 HG2 ARG B 439 -6.222 16.802 8.883 1.00 0.77 H new ATOM 0 HG3 ARG B 439 -4.727 16.010 8.427 1.00 0.77 H new ATOM 0 HD2 ARG B 439 -5.480 17.468 6.099 1.00 1.27 H new ATOM 0 HD3 ARG B 439 -5.838 18.554 7.426 1.00 1.27 H new ATOM 0 HE ARG B 439 -3.150 17.119 7.198 1.00 1.73 H new ATOM 0 HH11 ARG B 439 -4.863 19.288 9.117 1.00 2.89 H new ATOM 0 HH12 ARG B 439 -3.674 20.592 9.035 1.00 2.89 H new ATOM 0 HH21 ARG B 439 -1.783 19.044 6.532 1.00 2.81 H new ATOM 0 HH22 ARG B 439 -1.945 20.455 7.583 1.00 2.81 H new ATOM 2336 N HIS B 440 -8.309 17.024 5.307 1.00 0.52 N ATOM 2337 CA HIS B 440 -8.684 18.246 4.548 1.00 0.57 C ATOM 2338 C HIS B 440 -10.077 18.688 4.998 1.00 0.58 C ATOM 2339 O HIS B 440 -10.402 19.859 5.019 1.00 0.64 O ATOM 2340 CB HIS B 440 -8.699 17.811 3.081 1.00 0.55 C ATOM 2341 CG HIS B 440 -9.101 18.977 2.220 1.00 0.63 C ATOM 2342 ND1 HIS B 440 -8.880 20.290 2.603 1.00 1.04 N ATOM 2343 CD2 HIS B 440 -9.714 19.041 0.993 1.00 0.82 C ATOM 2344 CE1 HIS B 440 -9.354 21.083 1.624 1.00 0.97 C ATOM 2345 NE2 HIS B 440 -9.872 20.373 0.619 1.00 0.75 N ATOM 0 H HIS B 440 -8.093 16.207 4.736 1.00 0.52 H new ATOM 0 HA HIS B 440 -8.001 19.081 4.705 1.00 0.57 H new ATOM 0 HB2 HIS B 440 -7.713 17.450 2.787 1.00 0.55 H new ATOM 0 HB3 HIS B 440 -9.396 16.984 2.942 1.00 0.55 H new ATOM 0 HD2 HIS B 440 -10.026 18.189 0.408 1.00 0.82 H new ATOM 0 HE1 HIS B 440 -9.319 22.162 1.649 1.00 0.97 H new ATOM 0 HE2 HIS B 440 -10.293 20.730 -0.239 1.00 0.75 H new ATOM 2353 N THR B 441 -10.892 17.742 5.377 1.00 0.53 N ATOM 2354 CA THR B 441 -12.267 18.062 5.855 1.00 0.55 C ATOM 2355 C THR B 441 -12.484 17.402 7.220 1.00 0.56 C ATOM 2356 O THR B 441 -13.455 16.705 7.434 1.00 0.55 O ATOM 2357 CB THR B 441 -13.215 17.458 4.812 1.00 0.53 C ATOM 2358 OG1 THR B 441 -13.146 16.041 4.880 1.00 0.48 O ATOM 2359 CG2 THR B 441 -12.815 17.922 3.410 1.00 0.54 C ATOM 0 H THR B 441 -10.661 16.749 5.376 1.00 0.53 H new ATOM 0 HA THR B 441 -12.435 19.133 5.968 1.00 0.55 H new ATOM 0 HB THR B 441 -14.233 17.788 5.019 1.00 0.53 H new ATOM 0 HG1 THR B 441 -14.025 15.682 5.124 1.00 0.48 H new ATOM 0 HG21 THR B 441 -13.494 17.488 2.676 1.00 0.54 H new ATOM 0 HG22 THR B 441 -12.870 19.009 3.357 1.00 0.54 H new ATOM 0 HG23 THR B 441 -11.796 17.600 3.197 1.00 0.54 H new ATOM 2367 N GLN B 442 -11.560 17.604 8.132 1.00 0.59 N ATOM 2368 CA GLN B 442 -11.660 16.987 9.494 1.00 0.62 C ATOM 2369 C GLN B 442 -13.099 17.009 10.023 1.00 0.64 C ATOM 2370 O GLN B 442 -13.704 18.052 10.171 1.00 0.69 O ATOM 2371 CB GLN B 442 -10.756 17.849 10.376 1.00 0.69 C ATOM 2372 CG GLN B 442 -10.263 17.023 11.567 1.00 1.43 C ATOM 2373 CD GLN B 442 -11.002 17.462 12.833 1.00 1.79 C ATOM 2374 OE1 GLN B 442 -11.664 16.667 13.469 1.00 2.16 O ATOM 2375 NE2 GLN B 442 -10.916 18.702 13.228 1.00 2.47 N ATOM 0 H GLN B 442 -10.730 18.178 7.987 1.00 0.59 H new ATOM 0 HA GLN B 442 -11.363 15.938 9.480 1.00 0.62 H new ATOM 0 HB2 GLN B 442 -9.907 18.214 9.797 1.00 0.69 H new ATOM 0 HB3 GLN B 442 -11.302 18.724 10.728 1.00 0.69 H new ATOM 0 HG2 GLN B 442 -10.433 15.962 11.383 1.00 1.43 H new ATOM 0 HG3 GLN B 442 -9.189 17.156 11.696 1.00 1.43 H new ATOM 0 HE21 GLN B 442 -10.360 19.370 12.694 1.00 2.47 H new ATOM 0 HE22 GLN B 442 -11.405 19.004 14.071 1.00 2.47 H new ATOM 2384 N GLY B 443 -13.645 15.859 10.312 1.00 0.63 N ATOM 2385 CA GLY B 443 -15.039 15.801 10.832 1.00 0.66 C ATOM 2386 C GLY B 443 -16.006 15.522 9.680 1.00 0.64 C ATOM 2387 O GLY B 443 -16.848 14.651 9.761 1.00 0.66 O ATOM 0 H GLY B 443 -13.183 14.955 10.210 1.00 0.63 H new ATOM 0 HA2 GLY B 443 -15.124 15.020 11.588 1.00 0.66 H new ATOM 0 HA3 GLY B 443 -15.297 16.743 11.316 1.00 0.66 H new ATOM 2391 N HIS B 444 -15.893 16.257 8.608 1.00 0.62 N ATOM 2392 CA HIS B 444 -16.806 16.033 7.451 1.00 0.62 C ATOM 2393 C HIS B 444 -16.413 14.753 6.706 1.00 0.67 C ATOM 2394 O HIS B 444 -15.844 14.797 5.633 1.00 1.34 O ATOM 2395 CB HIS B 444 -16.615 17.258 6.555 1.00 0.63 C ATOM 2396 CG HIS B 444 -17.936 17.945 6.354 1.00 0.95 C ATOM 2397 ND1 HIS B 444 -18.137 19.274 6.693 1.00 1.52 N ATOM 2398 CD2 HIS B 444 -19.135 17.503 5.848 1.00 1.62 C ATOM 2399 CE1 HIS B 444 -19.412 19.583 6.390 1.00 1.77 C ATOM 2400 NE2 HIS B 444 -20.064 18.539 5.873 1.00 1.86 N ATOM 0 H HIS B 444 -15.208 17.003 8.483 1.00 0.62 H new ATOM 0 HA HIS B 444 -17.844 15.912 7.760 1.00 0.62 H new ATOM 0 HB2 HIS B 444 -15.901 17.946 7.009 1.00 0.63 H new ATOM 0 HB3 HIS B 444 -16.200 16.957 5.593 1.00 0.63 H new ATOM 0 HD2 HIS B 444 -19.327 16.504 5.486 1.00 1.62 H new ATOM 0 HE1 HIS B 444 -19.853 20.556 6.546 1.00 1.77 H new ATOM 0 HE2 HIS B 444 -21.035 18.507 5.563 1.00 1.86 H new ATOM 2408 N LYS B 445 -16.713 13.613 7.266 1.00 0.62 N ATOM 2409 CA LYS B 445 -16.357 12.335 6.586 1.00 0.51 C ATOM 2410 C LYS B 445 -17.034 12.262 5.214 1.00 0.51 C ATOM 2411 O LYS B 445 -16.605 11.540 4.336 1.00 0.57 O ATOM 2412 CB LYS B 445 -16.887 11.232 7.505 1.00 0.62 C ATOM 2413 CG LYS B 445 -18.379 11.449 7.763 1.00 1.31 C ATOM 2414 CD LYS B 445 -19.096 10.099 7.792 1.00 1.56 C ATOM 2415 CE LYS B 445 -19.939 9.939 6.525 1.00 2.23 C ATOM 2416 NZ LYS B 445 -19.144 9.039 5.645 1.00 2.52 N ATOM 0 H LYS B 445 -17.188 13.511 8.163 1.00 0.62 H new ATOM 0 HA LYS B 445 -15.284 12.242 6.418 1.00 0.51 H new ATOM 0 HB2 LYS B 445 -16.725 10.256 7.048 1.00 0.62 H new ATOM 0 HB3 LYS B 445 -16.340 11.237 8.448 1.00 0.62 H new ATOM 0 HG2 LYS B 445 -18.523 11.969 8.710 1.00 1.31 H new ATOM 0 HG3 LYS B 445 -18.805 12.082 6.984 1.00 1.31 H new ATOM 0 HD2 LYS B 445 -18.368 9.291 7.861 1.00 1.56 H new ATOM 0 HD3 LYS B 445 -19.732 10.032 8.675 1.00 1.56 H new ATOM 0 HE2 LYS B 445 -20.915 9.509 6.752 1.00 2.23 H new ATOM 0 HE3 LYS B 445 -20.119 10.902 6.046 1.00 2.23 H new ATOM 0 HZ1 LYS B 445 -19.208 9.370 4.661 1.00 2.52 H new ATOM 0 HZ2 LYS B 445 -18.149 9.046 5.949 1.00 2.52 H new ATOM 0 HZ3 LYS B 445 -19.519 8.071 5.709 1.00 2.52 H new ATOM 2430 N GLN B 446 -18.092 13.006 5.024 1.00 0.53 N ATOM 2431 CA GLN B 446 -18.798 12.978 3.711 1.00 0.56 C ATOM 2432 C GLN B 446 -17.939 13.646 2.633 1.00 0.52 C ATOM 2433 O GLN B 446 -17.771 13.122 1.549 1.00 0.51 O ATOM 2434 CB GLN B 446 -20.087 13.770 3.936 1.00 0.64 C ATOM 2435 CG GLN B 446 -21.292 12.883 3.619 1.00 1.11 C ATOM 2436 CD GLN B 446 -22.582 13.643 3.929 1.00 1.79 C ATOM 2437 OE1 GLN B 446 -22.551 14.817 4.238 1.00 2.45 O ATOM 2438 NE2 GLN B 446 -23.726 13.018 3.860 1.00 2.40 N ATOM 0 H GLN B 446 -18.497 13.631 5.721 1.00 0.53 H new ATOM 0 HA GLN B 446 -18.998 11.961 3.372 1.00 0.56 H new ATOM 0 HB2 GLN B 446 -20.138 14.116 4.968 1.00 0.64 H new ATOM 0 HB3 GLN B 446 -20.097 14.656 3.302 1.00 0.64 H new ATOM 0 HG2 GLN B 446 -21.274 12.589 2.570 1.00 1.11 H new ATOM 0 HG3 GLN B 446 -21.247 11.967 4.208 1.00 1.11 H new ATOM 0 HE21 GLN B 446 -23.754 12.032 3.601 1.00 2.40 H new ATOM 0 HE22 GLN B 446 -24.592 13.516 4.065 1.00 2.40 H new ATOM 2447 N GLU B 447 -17.390 14.795 2.921 1.00 0.52 N ATOM 2448 CA GLU B 447 -16.542 15.490 1.908 1.00 0.51 C ATOM 2449 C GLU B 447 -15.458 14.541 1.392 1.00 0.45 C ATOM 2450 O GLU B 447 -15.105 14.559 0.229 1.00 0.45 O ATOM 2451 CB GLU B 447 -15.916 16.670 2.654 1.00 0.53 C ATOM 2452 CG GLU B 447 -16.283 17.973 1.944 1.00 0.80 C ATOM 2453 CD GLU B 447 -15.311 18.216 0.788 1.00 1.32 C ATOM 2454 OE1 GLU B 447 -14.955 17.254 0.128 1.00 2.14 O ATOM 2455 OE2 GLU B 447 -14.939 19.360 0.584 1.00 1.96 O ATOM 0 H GLU B 447 -17.491 15.282 3.811 1.00 0.52 H new ATOM 0 HA GLU B 447 -17.116 15.819 1.042 1.00 0.51 H new ATOM 0 HB2 GLU B 447 -16.271 16.692 3.684 1.00 0.53 H new ATOM 0 HB3 GLU B 447 -14.833 16.557 2.692 1.00 0.53 H new ATOM 0 HG2 GLU B 447 -17.305 17.920 1.569 1.00 0.80 H new ATOM 0 HG3 GLU B 447 -16.245 18.806 2.646 1.00 0.80 H new ATOM 2462 N ALA B 448 -14.934 13.704 2.246 1.00 0.43 N ATOM 2463 CA ALA B 448 -13.881 12.748 1.801 1.00 0.39 C ATOM 2464 C ALA B 448 -14.403 11.897 0.639 1.00 0.40 C ATOM 2465 O ALA B 448 -13.641 11.324 -0.115 1.00 0.40 O ATOM 2466 CB ALA B 448 -13.597 11.874 3.022 1.00 0.39 C ATOM 0 H ALA B 448 -15.189 13.641 3.231 1.00 0.43 H new ATOM 0 HA ALA B 448 -12.983 13.255 1.448 1.00 0.39 H new ATOM 0 HB1 ALA B 448 -12.829 11.141 2.774 1.00 0.39 H new ATOM 0 HB2 ALA B 448 -13.250 12.500 3.844 1.00 0.39 H new ATOM 0 HB3 ALA B 448 -14.509 11.357 3.319 1.00 0.39 H new ATOM 2472 N ALA B 449 -15.698 11.807 0.490 1.00 0.44 N ATOM 2473 CA ALA B 449 -16.266 10.993 -0.622 1.00 0.47 C ATOM 2474 C ALA B 449 -15.739 11.493 -1.971 1.00 0.48 C ATOM 2475 O ALA B 449 -14.985 10.817 -2.641 1.00 0.49 O ATOM 2476 CB ALA B 449 -17.781 11.191 -0.526 1.00 0.52 C ATOM 0 H ALA B 449 -16.386 12.262 1.090 1.00 0.44 H new ATOM 0 HA ALA B 449 -15.988 9.942 -0.547 1.00 0.47 H new ATOM 0 HB1 ALA B 449 -18.273 10.621 -1.314 1.00 0.52 H new ATOM 0 HB2 ALA B 449 -18.132 10.844 0.446 1.00 0.52 H new ATOM 0 HB3 ALA B 449 -18.018 12.249 -0.641 1.00 0.52 H new ATOM 2482 N ARG B 450 -16.127 12.672 -2.375 1.00 0.49 N ATOM 2483 CA ARG B 450 -15.648 13.210 -3.680 1.00 0.52 C ATOM 2484 C ARG B 450 -14.118 13.281 -3.695 1.00 0.49 C ATOM 2485 O ARG B 450 -13.494 13.232 -4.738 1.00 0.50 O ATOM 2486 CB ARG B 450 -16.252 14.612 -3.770 1.00 0.57 C ATOM 2487 CG ARG B 450 -16.352 15.034 -5.238 1.00 0.78 C ATOM 2488 CD ARG B 450 -17.811 15.335 -5.587 1.00 1.37 C ATOM 2489 NE ARG B 450 -17.747 16.138 -6.839 1.00 1.76 N ATOM 2490 CZ ARG B 450 -18.753 16.898 -7.180 1.00 2.35 C ATOM 2491 NH1 ARG B 450 -19.932 16.372 -7.374 1.00 2.93 N ATOM 2492 NH2 ARG B 450 -18.579 18.183 -7.327 1.00 2.97 N ATOM 0 H ARG B 450 -16.755 13.286 -1.857 1.00 0.49 H new ATOM 0 HA ARG B 450 -15.943 12.582 -4.521 1.00 0.52 H new ATOM 0 HB2 ARG B 450 -17.240 14.624 -3.310 1.00 0.57 H new ATOM 0 HB3 ARG B 450 -15.635 15.321 -3.218 1.00 0.57 H new ATOM 0 HG2 ARG B 450 -15.736 15.915 -5.416 1.00 0.78 H new ATOM 0 HG3 ARG B 450 -15.970 14.242 -5.882 1.00 0.78 H new ATOM 0 HD2 ARG B 450 -18.379 14.417 -5.735 1.00 1.37 H new ATOM 0 HD3 ARG B 450 -18.303 15.889 -4.787 1.00 1.37 H new ATOM 0 HE ARG B 450 -16.917 16.095 -7.431 1.00 1.76 H new ATOM 0 HH11 ARG B 450 -20.067 15.368 -7.259 1.00 2.93 H new ATOM 0 HH12 ARG B 450 -20.718 16.965 -7.640 1.00 2.93 H new ATOM 0 HH21 ARG B 450 -17.658 18.593 -7.176 1.00 2.97 H new ATOM 0 HH22 ARG B 450 -19.364 18.777 -7.593 1.00 2.97 H new ATOM 2506 N LEU B 451 -13.511 13.397 -2.547 1.00 0.48 N ATOM 2507 CA LEU B 451 -12.023 13.475 -2.493 1.00 0.47 C ATOM 2508 C LEU B 451 -11.397 12.167 -2.985 1.00 0.44 C ATOM 2509 O LEU B 451 -10.278 12.145 -3.460 1.00 0.48 O ATOM 2510 CB LEU B 451 -11.694 13.706 -1.017 1.00 0.46 C ATOM 2511 CG LEU B 451 -11.120 15.112 -0.836 1.00 0.53 C ATOM 2512 CD1 LEU B 451 -12.263 16.118 -0.694 1.00 0.92 C ATOM 2513 CD2 LEU B 451 -10.251 15.148 0.422 1.00 1.04 C ATOM 0 H LEU B 451 -13.981 13.441 -1.643 1.00 0.48 H new ATOM 0 HA LEU B 451 -11.631 14.268 -3.130 1.00 0.47 H new ATOM 0 HB2 LEU B 451 -12.592 13.587 -0.410 1.00 0.46 H new ATOM 0 HB3 LEU B 451 -10.976 12.962 -0.673 1.00 0.46 H new ATOM 0 HG LEU B 451 -10.515 15.371 -1.705 1.00 0.53 H new ATOM 0 HD11 LEU B 451 -11.852 17.119 -0.565 1.00 0.92 H new ATOM 0 HD12 LEU B 451 -12.883 16.093 -1.590 1.00 0.92 H new ATOM 0 HD13 LEU B 451 -12.869 15.860 0.174 1.00 0.92 H new ATOM 0 HD21 LEU B 451 -9.841 16.150 0.552 1.00 1.04 H new ATOM 0 HD22 LEU B 451 -10.857 14.888 1.290 1.00 1.04 H new ATOM 0 HD23 LEU B 451 -9.435 14.432 0.321 1.00 1.04 H new ATOM 2525 N LEU B 452 -12.106 11.077 -2.875 1.00 0.42 N ATOM 2526 CA LEU B 452 -11.541 9.775 -3.338 1.00 0.40 C ATOM 2527 C LEU B 452 -12.429 9.171 -4.430 1.00 0.46 C ATOM 2528 O LEU B 452 -12.473 7.971 -4.613 1.00 0.51 O ATOM 2529 CB LEU B 452 -11.533 8.877 -2.098 1.00 0.37 C ATOM 2530 CG LEU B 452 -10.763 9.563 -0.965 1.00 0.35 C ATOM 2531 CD1 LEU B 452 -11.530 9.389 0.347 1.00 0.31 C ATOM 2532 CD2 LEU B 452 -9.377 8.929 -0.831 1.00 0.43 C ATOM 0 H LEU B 452 -13.048 11.030 -2.487 1.00 0.42 H new ATOM 0 HA LEU B 452 -10.544 9.889 -3.764 1.00 0.40 H new ATOM 0 HB2 LEU B 452 -12.555 8.669 -1.782 1.00 0.37 H new ATOM 0 HB3 LEU B 452 -11.072 7.918 -2.335 1.00 0.37 H new ATOM 0 HG LEU B 452 -10.656 10.624 -1.189 1.00 0.35 H new ATOM 0 HD11 LEU B 452 -10.984 9.876 1.155 1.00 0.31 H new ATOM 0 HD12 LEU B 452 -12.518 9.840 0.253 1.00 0.31 H new ATOM 0 HD13 LEU B 452 -11.635 8.327 0.569 1.00 0.31 H new ATOM 0 HD21 LEU B 452 -8.830 9.418 -0.025 1.00 0.43 H new ATOM 0 HD22 LEU B 452 -9.483 7.868 -0.607 1.00 0.43 H new ATOM 0 HD23 LEU B 452 -8.830 9.050 -1.766 1.00 0.43 H new ATOM 2544 N GLY B 453 -13.137 9.992 -5.158 1.00 0.50 N ATOM 2545 CA GLY B 453 -14.019 9.459 -6.235 1.00 0.56 C ATOM 2546 C GLY B 453 -15.070 8.528 -5.625 1.00 0.58 C ATOM 2547 O GLY B 453 -15.634 7.687 -6.295 1.00 0.68 O ATOM 0 H GLY B 453 -13.143 11.007 -5.054 1.00 0.50 H new ATOM 0 HA2 GLY B 453 -14.507 10.281 -6.759 1.00 0.56 H new ATOM 0 HA3 GLY B 453 -13.424 8.919 -6.972 1.00 0.56 H new ATOM 2551 N TRP B 454 -15.339 8.673 -4.355 1.00 0.54 N ATOM 2552 CA TRP B 454 -16.355 7.799 -3.700 1.00 0.60 C ATOM 2553 C TRP B 454 -17.657 8.574 -3.490 1.00 0.69 C ATOM 2554 O TRP B 454 -17.798 9.701 -3.921 1.00 1.16 O ATOM 2555 CB TRP B 454 -15.741 7.422 -2.346 1.00 0.53 C ATOM 2556 CG TRP B 454 -14.641 6.413 -2.520 1.00 0.52 C ATOM 2557 CD1 TRP B 454 -14.095 6.028 -3.704 1.00 0.58 C ATOM 2558 CD2 TRP B 454 -13.941 5.659 -1.488 1.00 0.50 C ATOM 2559 NE1 TRP B 454 -13.109 5.088 -3.462 1.00 0.58 N ATOM 2560 CE2 TRP B 454 -12.972 4.824 -2.115 1.00 0.52 C ATOM 2561 CE3 TRP B 454 -14.051 5.617 -0.073 1.00 0.51 C ATOM 2562 CZ2 TRP B 454 -12.139 3.973 -1.365 1.00 0.52 C ATOM 2563 CZ3 TRP B 454 -13.214 4.761 0.686 1.00 0.53 C ATOM 2564 CH2 TRP B 454 -12.260 3.942 0.039 1.00 0.51 C ATOM 0 H TRP B 454 -14.899 9.359 -3.742 1.00 0.54 H new ATOM 0 HA TRP B 454 -16.593 6.922 -4.302 1.00 0.60 H new ATOM 0 HB2 TRP B 454 -15.348 8.314 -1.859 1.00 0.53 H new ATOM 0 HB3 TRP B 454 -16.513 7.016 -1.692 1.00 0.53 H new ATOM 0 HD1 TRP B 454 -14.384 6.397 -4.677 1.00 0.58 H new ATOM 0 HE1 TRP B 454 -12.551 4.644 -4.191 1.00 0.58 H new ATOM 0 HE3 TRP B 454 -14.777 6.241 0.428 1.00 0.51 H new ATOM 0 HZ2 TRP B 454 -11.412 3.348 -1.862 1.00 0.52 H new ATOM 0 HZ3 TRP B 454 -13.305 4.734 1.762 1.00 0.53 H new ATOM 0 HH2 TRP B 454 -11.623 3.292 0.621 1.00 0.51 H new ATOM 2575 N GLY B 455 -18.607 7.981 -2.821 1.00 0.72 N ATOM 2576 CA GLY B 455 -19.898 8.683 -2.570 1.00 0.72 C ATOM 2577 C GLY B 455 -20.223 8.610 -1.079 1.00 0.70 C ATOM 2578 O GLY B 455 -19.345 8.455 -0.254 1.00 0.64 O ATOM 0 H GLY B 455 -18.545 7.038 -2.436 1.00 0.72 H new ATOM 0 HA2 GLY B 455 -19.829 9.723 -2.890 1.00 0.72 H new ATOM 0 HA3 GLY B 455 -20.696 8.223 -3.152 1.00 0.72 H new ATOM 2582 N ALA B 456 -21.472 8.714 -0.720 1.00 0.77 N ATOM 2583 CA ALA B 456 -21.837 8.639 0.724 1.00 0.77 C ATOM 2584 C ALA B 456 -22.112 7.185 1.113 1.00 0.82 C ATOM 2585 O ALA B 456 -21.922 6.789 2.245 1.00 0.83 O ATOM 2586 CB ALA B 456 -23.103 9.484 0.860 1.00 0.84 C ATOM 0 H ALA B 456 -22.254 8.847 -1.361 1.00 0.77 H new ATOM 0 HA ALA B 456 -21.041 9.001 1.375 1.00 0.77 H new ATOM 0 HB1 ALA B 456 -23.435 9.478 1.898 1.00 0.84 H new ATOM 0 HB2 ALA B 456 -22.892 10.508 0.553 1.00 0.84 H new ATOM 0 HB3 ALA B 456 -23.887 9.069 0.226 1.00 0.84 H new ATOM 2592 N ALA B 457 -22.549 6.386 0.178 1.00 0.90 N ATOM 2593 CA ALA B 457 -22.827 4.956 0.490 1.00 0.97 C ATOM 2594 C ALA B 457 -21.507 4.187 0.599 1.00 0.89 C ATOM 2595 O ALA B 457 -21.283 3.450 1.537 1.00 0.91 O ATOM 2596 CB ALA B 457 -23.654 4.445 -0.689 1.00 1.07 C ATOM 0 H ALA B 457 -22.725 6.662 -0.788 1.00 0.90 H new ATOM 0 HA ALA B 457 -23.354 4.828 1.435 1.00 0.97 H new ATOM 0 HB1 ALA B 457 -23.900 3.395 -0.533 1.00 1.07 H new ATOM 0 HB2 ALA B 457 -24.574 5.025 -0.767 1.00 1.07 H new ATOM 0 HB3 ALA B 457 -23.080 4.551 -1.609 1.00 1.07 H new ATOM 2602 N THR B 458 -20.629 4.364 -0.352 1.00 0.84 N ATOM 2603 CA THR B 458 -19.321 3.651 -0.299 1.00 0.77 C ATOM 2604 C THR B 458 -18.559 4.061 0.962 1.00 0.68 C ATOM 2605 O THR B 458 -18.189 3.234 1.773 1.00 0.67 O ATOM 2606 CB THR B 458 -18.571 4.107 -1.551 1.00 0.76 C ATOM 2607 OG1 THR B 458 -19.282 3.685 -2.707 1.00 0.85 O ATOM 2608 CG2 THR B 458 -17.169 3.495 -1.560 1.00 0.72 C ATOM 0 H THR B 458 -20.761 4.970 -1.161 1.00 0.84 H new ATOM 0 HA THR B 458 -19.436 2.568 -0.268 1.00 0.77 H new ATOM 0 HB THR B 458 -18.490 5.194 -1.551 1.00 0.76 H new ATOM 0 HG1 THR B 458 -18.803 3.978 -3.510 1.00 0.85 H new ATOM 0 HG21 THR B 458 -16.636 3.821 -2.453 1.00 0.72 H new ATOM 0 HG22 THR B 458 -16.625 3.820 -0.673 1.00 0.72 H new ATOM 0 HG23 THR B 458 -17.247 2.408 -1.560 1.00 0.72 H new ATOM 2616 N LEU B 459 -18.328 5.335 1.138 1.00 0.64 N ATOM 2617 CA LEU B 459 -17.597 5.807 2.352 1.00 0.57 C ATOM 2618 C LEU B 459 -18.200 5.177 3.610 1.00 0.60 C ATOM 2619 O LEU B 459 -17.522 4.955 4.593 1.00 0.58 O ATOM 2620 CB LEU B 459 -17.789 7.325 2.358 1.00 0.56 C ATOM 2621 CG LEU B 459 -16.422 8.006 2.419 1.00 0.47 C ATOM 2622 CD1 LEU B 459 -16.524 9.410 1.824 1.00 0.48 C ATOM 2623 CD2 LEU B 459 -15.965 8.105 3.874 1.00 0.46 C ATOM 0 H LEU B 459 -18.614 6.071 0.493 1.00 0.64 H new ATOM 0 HA LEU B 459 -16.543 5.531 2.338 1.00 0.57 H new ATOM 0 HB2 LEU B 459 -18.325 7.639 1.462 1.00 0.56 H new ATOM 0 HB3 LEU B 459 -18.395 7.623 3.213 1.00 0.56 H new ATOM 0 HG LEU B 459 -15.701 7.420 1.849 1.00 0.47 H new ATOM 0 HD11 LEU B 459 -15.549 9.895 1.868 1.00 0.48 H new ATOM 0 HD12 LEU B 459 -16.850 9.342 0.786 1.00 0.48 H new ATOM 0 HD13 LEU B 459 -17.246 9.995 2.393 1.00 0.48 H new ATOM 0 HD21 LEU B 459 -14.990 8.591 3.917 1.00 0.46 H new ATOM 0 HD22 LEU B 459 -16.687 8.690 4.443 1.00 0.46 H new ATOM 0 HD23 LEU B 459 -15.891 7.105 4.301 1.00 0.46 H new ATOM 2635 N THR B 460 -19.470 4.878 3.580 1.00 0.68 N ATOM 2636 CA THR B 460 -20.118 4.252 4.767 1.00 0.74 C ATOM 2637 C THR B 460 -20.035 2.726 4.664 1.00 0.76 C ATOM 2638 O THR B 460 -19.653 2.053 5.601 1.00 0.75 O ATOM 2639 CB THR B 460 -21.574 4.718 4.714 1.00 0.83 C ATOM 2640 OG1 THR B 460 -21.612 6.137 4.631 1.00 0.82 O ATOM 2641 CG2 THR B 460 -22.305 4.260 5.977 1.00 0.92 C ATOM 0 H THR B 460 -20.087 5.040 2.784 1.00 0.68 H new ATOM 0 HA THR B 460 -19.636 4.535 5.703 1.00 0.74 H new ATOM 0 HB THR B 460 -22.062 4.288 3.839 1.00 0.83 H new ATOM 0 HG1 THR B 460 -22.226 6.407 3.916 1.00 0.82 H new ATOM 0 HG21 THR B 460 -23.342 4.593 5.938 1.00 0.92 H new ATOM 0 HG22 THR B 460 -22.275 3.172 6.041 1.00 0.92 H new ATOM 0 HG23 THR B 460 -21.819 4.688 6.854 1.00 0.92 H new ATOM 2649 N ALA B 461 -20.382 2.177 3.532 1.00 0.81 N ATOM 2650 CA ALA B 461 -20.316 0.695 3.372 1.00 0.85 C ATOM 2651 C ALA B 461 -18.873 0.216 3.544 1.00 0.79 C ATOM 2652 O ALA B 461 -18.615 -0.814 4.134 1.00 0.83 O ATOM 2653 CB ALA B 461 -20.805 0.424 1.949 1.00 0.92 C ATOM 0 H ALA B 461 -20.708 2.689 2.712 1.00 0.81 H new ATOM 0 HA ALA B 461 -20.919 0.171 4.113 1.00 0.85 H new ATOM 0 HB1 ALA B 461 -20.785 -0.649 1.756 1.00 0.92 H new ATOM 0 HB2 ALA B 461 -21.824 0.794 1.838 1.00 0.92 H new ATOM 0 HB3 ALA B 461 -20.155 0.933 1.238 1.00 0.92 H new ATOM 2659 N LYS B 462 -17.929 0.963 3.038 1.00 0.72 N ATOM 2660 CA LYS B 462 -16.502 0.555 3.177 1.00 0.68 C ATOM 2661 C LYS B 462 -16.119 0.492 4.658 1.00 0.65 C ATOM 2662 O LYS B 462 -15.271 -0.280 5.058 1.00 0.66 O ATOM 2663 CB LYS B 462 -15.706 1.648 2.463 1.00 0.66 C ATOM 2664 CG LYS B 462 -15.521 1.267 0.994 1.00 0.99 C ATOM 2665 CD LYS B 462 -14.548 0.093 0.890 1.00 0.91 C ATOM 2666 CE LYS B 462 -14.998 -0.846 -0.232 1.00 1.31 C ATOM 2667 NZ LYS B 462 -13.741 -1.243 -0.926 1.00 1.39 N ATOM 0 H LYS B 462 -18.084 1.837 2.535 1.00 0.72 H new ATOM 0 HA LYS B 462 -16.308 -0.430 2.754 1.00 0.68 H new ATOM 0 HB2 LYS B 462 -16.228 2.602 2.539 1.00 0.66 H new ATOM 0 HB3 LYS B 462 -14.735 1.777 2.941 1.00 0.66 H new ATOM 0 HG2 LYS B 462 -16.481 0.997 0.554 1.00 0.99 H new ATOM 0 HG3 LYS B 462 -15.140 2.119 0.431 1.00 0.99 H new ATOM 0 HD2 LYS B 462 -13.541 0.458 0.691 1.00 0.91 H new ATOM 0 HD3 LYS B 462 -14.510 -0.446 1.836 1.00 0.91 H new ATOM 0 HE2 LYS B 462 -15.521 -1.715 0.166 1.00 1.31 H new ATOM 0 HE3 LYS B 462 -15.685 -0.346 -0.914 1.00 1.31 H new ATOM 0 HZ1 LYS B 462 -13.966 -1.888 -1.710 1.00 1.39 H new ATOM 0 HZ2 LYS B 462 -13.268 -0.395 -1.300 1.00 1.39 H new ATOM 0 HZ3 LYS B 462 -13.110 -1.723 -0.253 1.00 1.39 H new ATOM 2681 N LEU B 463 -16.742 1.300 5.473 1.00 0.65 N ATOM 2682 CA LEU B 463 -16.416 1.286 6.927 1.00 0.65 C ATOM 2683 C LEU B 463 -16.693 -0.100 7.516 1.00 0.68 C ATOM 2684 O LEU B 463 -15.944 -0.601 8.331 1.00 0.70 O ATOM 2685 CB LEU B 463 -17.346 2.330 7.549 1.00 0.68 C ATOM 2686 CG LEU B 463 -16.885 2.644 8.973 1.00 0.81 C ATOM 2687 CD1 LEU B 463 -16.197 4.009 8.995 1.00 0.99 C ATOM 2688 CD2 LEU B 463 -18.098 2.668 9.907 1.00 0.99 C ATOM 0 H LEU B 463 -17.461 1.968 5.195 1.00 0.65 H new ATOM 0 HA LEU B 463 -15.366 1.508 7.119 1.00 0.65 H new ATOM 0 HB2 LEU B 463 -17.344 3.238 6.947 1.00 0.68 H new ATOM 0 HB3 LEU B 463 -18.370 1.958 7.561 1.00 0.68 H new ATOM 0 HG LEU B 463 -16.184 1.879 9.307 1.00 0.81 H new ATOM 0 HD11 LEU B 463 -15.868 4.234 10.009 1.00 0.99 H new ATOM 0 HD12 LEU B 463 -15.334 3.992 8.329 1.00 0.99 H new ATOM 0 HD13 LEU B 463 -16.898 4.775 8.662 1.00 0.99 H new ATOM 0 HD21 LEU B 463 -17.771 2.892 10.922 1.00 0.99 H new ATOM 0 HD22 LEU B 463 -18.798 3.434 9.574 1.00 0.99 H new ATOM 0 HD23 LEU B 463 -18.589 1.695 9.890 1.00 0.99 H new ATOM 2700 N LYS B 464 -17.765 -0.723 7.109 1.00 0.72 N ATOM 2701 CA LYS B 464 -18.093 -2.076 7.643 1.00 0.77 C ATOM 2702 C LYS B 464 -17.461 -3.163 6.768 1.00 0.76 C ATOM 2703 O LYS B 464 -16.878 -4.108 7.260 1.00 0.82 O ATOM 2704 CB LYS B 464 -19.619 -2.162 7.586 1.00 0.85 C ATOM 2705 CG LYS B 464 -20.145 -2.795 8.875 1.00 1.20 C ATOM 2706 CD LYS B 464 -21.661 -2.970 8.775 1.00 1.62 C ATOM 2707 CE LYS B 464 -22.189 -3.610 10.062 1.00 2.25 C ATOM 2708 NZ LYS B 464 -22.239 -2.496 11.050 1.00 2.66 N ATOM 0 H LYS B 464 -18.429 -0.353 6.429 1.00 0.72 H new ATOM 0 HA LYS B 464 -17.711 -2.224 8.653 1.00 0.77 H new ATOM 0 HB2 LYS B 464 -20.045 -1.167 7.457 1.00 0.85 H new ATOM 0 HB3 LYS B 464 -19.928 -2.755 6.725 1.00 0.85 H new ATOM 0 HG2 LYS B 464 -19.667 -3.760 9.040 1.00 1.20 H new ATOM 0 HG3 LYS B 464 -19.896 -2.166 9.730 1.00 1.20 H new ATOM 0 HD2 LYS B 464 -22.139 -2.004 8.614 1.00 1.62 H new ATOM 0 HD3 LYS B 464 -21.910 -3.595 7.917 1.00 1.62 H new ATOM 0 HE2 LYS B 464 -23.175 -4.048 9.910 1.00 2.25 H new ATOM 0 HE3 LYS B 464 -21.534 -4.411 10.403 1.00 2.25 H new ATOM 0 HZ1 LYS B 464 -21.722 -2.771 11.910 1.00 2.66 H new ATOM 0 HZ2 LYS B 464 -21.800 -1.647 10.639 1.00 2.66 H new ATOM 0 HZ3 LYS B 464 -23.229 -2.291 11.292 1.00 2.66 H new ATOM 2722 N GLU B 465 -17.577 -3.038 5.473 1.00 0.73 N ATOM 2723 CA GLU B 465 -16.989 -4.068 4.568 1.00 0.76 C ATOM 2724 C GLU B 465 -15.515 -4.306 4.912 1.00 0.69 C ATOM 2725 O GLU B 465 -15.124 -5.394 5.286 1.00 0.85 O ATOM 2726 CB GLU B 465 -17.126 -3.485 3.162 1.00 0.79 C ATOM 2727 CG GLU B 465 -16.841 -4.576 2.126 1.00 1.12 C ATOM 2728 CD GLU B 465 -17.933 -4.561 1.055 1.00 1.42 C ATOM 2729 OE1 GLU B 465 -18.383 -3.481 0.709 1.00 1.94 O ATOM 2730 OE2 GLU B 465 -18.302 -5.631 0.599 1.00 2.03 O ATOM 0 H GLU B 465 -18.053 -2.268 5.003 1.00 0.73 H new ATOM 0 HA GLU B 465 -17.491 -5.031 4.661 1.00 0.76 H new ATOM 0 HB2 GLU B 465 -18.130 -3.086 3.019 1.00 0.79 H new ATOM 0 HB3 GLU B 465 -16.432 -2.655 3.032 1.00 0.79 H new ATOM 0 HG2 GLU B 465 -15.866 -4.412 1.668 1.00 1.12 H new ATOM 0 HG3 GLU B 465 -16.805 -5.552 2.610 1.00 1.12 H new ATOM 2737 N LEU B 466 -14.694 -3.298 4.790 1.00 0.56 N ATOM 2738 CA LEU B 466 -13.247 -3.474 5.112 1.00 0.59 C ATOM 2739 C LEU B 466 -13.086 -4.051 6.521 1.00 0.70 C ATOM 2740 O LEU B 466 -12.118 -4.723 6.819 1.00 0.81 O ATOM 2741 CB LEU B 466 -12.650 -2.068 5.041 1.00 0.56 C ATOM 2742 CG LEU B 466 -12.446 -1.670 3.579 1.00 0.54 C ATOM 2743 CD1 LEU B 466 -12.135 -0.174 3.496 1.00 0.62 C ATOM 2744 CD2 LEU B 466 -11.276 -2.465 2.994 1.00 0.52 C ATOM 0 H LEU B 466 -14.961 -2.363 4.482 1.00 0.56 H new ATOM 0 HA LEU B 466 -12.753 -4.162 4.426 1.00 0.59 H new ATOM 0 HB2 LEU B 466 -13.312 -1.356 5.533 1.00 0.56 H new ATOM 0 HB3 LEU B 466 -11.699 -2.039 5.572 1.00 0.56 H new ATOM 0 HG LEU B 466 -13.353 -1.885 3.014 1.00 0.54 H new ATOM 0 HD11 LEU B 466 -11.989 0.110 2.454 1.00 0.62 H new ATOM 0 HD12 LEU B 466 -12.966 0.394 3.914 1.00 0.62 H new ATOM 0 HD13 LEU B 466 -11.228 0.041 4.061 1.00 0.62 H new ATOM 0 HD21 LEU B 466 -11.129 -2.182 1.952 1.00 0.52 H new ATOM 0 HD22 LEU B 466 -10.370 -2.248 3.560 1.00 0.52 H new ATOM 0 HD23 LEU B 466 -11.495 -3.531 3.054 1.00 0.52 H new ATOM 2756 N GLY B 467 -14.026 -3.795 7.388 1.00 0.77 N ATOM 2757 CA GLY B 467 -13.925 -4.328 8.776 1.00 0.97 C ATOM 2758 C GLY B 467 -14.422 -5.774 8.805 1.00 1.08 C ATOM 2759 O GLY B 467 -13.912 -6.602 9.533 1.00 1.38 O ATOM 0 H GLY B 467 -14.860 -3.240 7.196 1.00 0.77 H new ATOM 0 HA2 GLY B 467 -12.892 -4.280 9.121 1.00 0.97 H new ATOM 0 HA3 GLY B 467 -14.517 -3.715 9.456 1.00 0.97 H new