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= 0.485 K(o=0.51,f=-2.2!) USER MOD Set 1.2: B 423 SER OG : rot 163:sc= 0.0221 USER MOD Set 2.1: A 420 ASN : amide:sc= 0.474 K(o=0.45,f=-0.44) USER MOD Set 2.2: A 423 SER OG : rot 163:sc= -0.0234 USER MOD Single : A 404 THR OG1 : rot 180:sc= 0 USER MOD Single : A 408 GLN : amide:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 416 SER OG : rot 180:sc= 0 USER MOD Single : A 418 HIS :FLIP no HE2:sc= -1.31 F(o=-2.3,f=-1.3) USER MOD Single : A 419 GLN : amide:sc= -0.309 X(o=-0.31,f=0) USER MOD Single : A 426 GLN : amide:sc= -1.61 K(o=-1.6,f=-9.5!) USER MOD Single : A 432 THR OG1 : rot 99:sc= 1.17 USER MOD Single : A 435 THR OG1 : rot 100:sc= 1.27 USER MOD Single : A 436 THR OG1 : rot 95:sc= 1.24 USER MOD Single : A 440 HIS :FLIP no HD1:sc= -0.404 F(o=-1.7,f=-0.4) USER MOD Single : A 441 THR OG1 : rot 74:sc= 0.37 USER MOD Single : A 442 GLN : amide:sc= -0.366 K(o=-0.37,f=-2.4!) USER MOD Single : A 444 HIS :FLIP no HD1:sc= -0.961 F(o=-1.7,f=-0.96) USER MOD Single : A 445 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 446 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 460 THR OG1 : rot 123:sc= 1.2 USER MOD Single : A 462 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 464 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 404 THR OG1 : rot 180:sc= 0 USER MOD Single : B 408 GLN : amide:sc= -0.0712 X(o=-0.071,f=0) USER MOD Single : B 416 SER OG : rot 180:sc= 0 USER MOD Single : B 418 HIS :FLIP no HE2:sc= -1.18 F(o=-2.3,f=-1.2) USER MOD Single : B 419 GLN : amide:sc= -0.206 X(o=-0.21,f=0) USER MOD Single : B 426 GLN : amide:sc= -1.6 K(o=-1.6,f=-9.4!) USER MOD Single : B 432 THR OG1 : rot 100:sc= 1.3 USER MOD Single : B 435 THR OG1 : rot 103:sc= 1.27 USER MOD Single : B 436 THR OG1 : rot 91:sc= 1.13 USER MOD Single : B 440 HIS :FLIP no HD1:sc= -0.359 F(o=-1.7,f=-0.36) USER MOD Single : B 441 THR OG1 : rot 68:sc= 0.405 USER MOD Single : B 442 GLN : amide:sc= -0.383 K(o=-0.38,f=-2.6!) USER MOD Single : B 444 HIS :FLIP no HD1:sc= -0.938 F(o=-1.6,f=-0.94) USER MOD Single : B 445 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 446 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 458 THR OG1 : rot 180:sc= 0 USER MOD Single : B 460 THR OG1 : rot 87:sc= 1.21 USER MOD Single : B 462 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 464 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 325 N TRP A 402 5.990 2.683 2.297 1.00 0.95 N ATOM 326 CA TRP A 402 5.455 3.576 1.218 1.00 0.86 C ATOM 327 C TRP A 402 4.147 4.242 1.676 1.00 0.79 C ATOM 328 O TRP A 402 3.823 5.342 1.272 1.00 0.71 O ATOM 329 CB TRP A 402 5.236 2.659 -0.003 1.00 0.96 C ATOM 330 CG TRP A 402 3.940 1.906 0.105 1.00 0.84 C ATOM 331 CD1 TRP A 402 3.806 0.632 0.549 1.00 0.94 C ATOM 332 CD2 TRP A 402 2.599 2.362 -0.238 1.00 0.76 C ATOM 333 NE1 TRP A 402 2.470 0.274 0.498 1.00 1.00 N ATOM 334 CE2 TRP A 402 1.683 1.303 0.023 1.00 0.83 C ATOM 335 CE3 TRP A 402 2.087 3.584 -0.746 1.00 0.78 C ATOM 336 CZ2 TRP A 402 0.303 1.449 -0.213 1.00 0.83 C ATOM 337 CZ3 TRP A 402 0.699 3.736 -0.984 1.00 0.72 C ATOM 338 CH2 TRP A 402 -0.190 2.669 -0.718 1.00 0.69 C ATOM 0 HA TRP A 402 6.138 4.390 0.975 1.00 0.86 H new ATOM 0 HB2 TRP A 402 5.237 3.257 -0.914 1.00 0.96 H new ATOM 0 HB3 TRP A 402 6.063 1.954 -0.084 1.00 0.96 H new ATOM 0 HD1 TRP A 402 4.612 -0.002 0.888 1.00 0.94 H new ATOM 0 HE1 TRP A 402 2.111 -0.639 0.777 1.00 1.00 H new ATOM 0 HE3 TRP A 402 2.760 4.403 -0.952 1.00 0.78 H new ATOM 0 HZ2 TRP A 402 -0.373 0.632 -0.009 1.00 0.83 H new ATOM 0 HZ3 TRP A 402 0.318 4.670 -1.370 1.00 0.72 H new ATOM 0 HH2 TRP A 402 -1.247 2.789 -0.902 1.00 0.69 H new ATOM 349 N ALA A 403 3.413 3.591 2.542 1.00 0.85 N ATOM 350 CA ALA A 403 2.149 4.198 3.051 1.00 0.85 C ATOM 351 C ALA A 403 2.467 5.578 3.625 1.00 0.80 C ATOM 352 O ALA A 403 1.709 6.518 3.484 1.00 0.76 O ATOM 353 CB ALA A 403 1.668 3.252 4.152 1.00 0.99 C ATOM 0 H ALA A 403 3.634 2.669 2.917 1.00 0.85 H new ATOM 0 HA ALA A 403 1.390 4.323 2.278 1.00 0.85 H new ATOM 0 HB1 ALA A 403 0.739 3.631 4.578 1.00 0.99 H new ATOM 0 HB2 ALA A 403 1.496 2.261 3.731 1.00 0.99 H new ATOM 0 HB3 ALA A 403 2.425 3.188 4.933 1.00 0.99 H new ATOM 359 N THR A 404 3.607 5.704 4.249 1.00 0.82 N ATOM 360 CA THR A 404 4.012 7.020 4.810 1.00 0.81 C ATOM 361 C THR A 404 4.121 8.025 3.660 1.00 0.70 C ATOM 362 O THR A 404 3.703 9.164 3.766 1.00 0.68 O ATOM 363 CB THR A 404 5.377 6.755 5.461 1.00 0.89 C ATOM 364 OG1 THR A 404 5.187 6.007 6.654 1.00 1.07 O ATOM 365 CG2 THR A 404 6.068 8.080 5.797 1.00 0.89 C ATOM 0 H THR A 404 4.276 4.948 4.394 1.00 0.82 H new ATOM 0 HA THR A 404 3.307 7.431 5.532 1.00 0.81 H new ATOM 0 HB THR A 404 6.003 6.195 4.766 1.00 0.89 H new ATOM 0 HG1 THR A 404 6.056 5.833 7.073 1.00 1.07 H new ATOM 0 HG21 THR A 404 7.035 7.879 6.258 1.00 0.89 H new ATOM 0 HG22 THR A 404 6.214 8.656 4.883 1.00 0.89 H new ATOM 0 HG23 THR A 404 5.447 8.649 6.489 1.00 0.89 H new ATOM 373 N LEU A 405 4.659 7.595 2.550 1.00 0.67 N ATOM 374 CA LEU A 405 4.778 8.499 1.372 1.00 0.61 C ATOM 375 C LEU A 405 3.380 8.770 0.814 1.00 0.53 C ATOM 376 O LEU A 405 3.121 9.799 0.225 1.00 0.52 O ATOM 377 CB LEU A 405 5.649 7.718 0.369 1.00 0.67 C ATOM 378 CG LEU A 405 5.585 8.324 -1.051 1.00 0.65 C ATOM 379 CD1 LEU A 405 4.307 7.869 -1.759 1.00 0.57 C ATOM 380 CD2 LEU A 405 5.624 9.857 -0.996 1.00 0.64 C ATOM 0 H LEU A 405 5.022 6.652 2.409 1.00 0.67 H new ATOM 0 HA LEU A 405 5.221 9.467 1.605 1.00 0.61 H new ATOM 0 HB2 LEU A 405 6.683 7.713 0.714 1.00 0.67 H new ATOM 0 HB3 LEU A 405 5.319 6.680 0.335 1.00 0.67 H new ATOM 0 HG LEU A 405 6.454 7.974 -1.608 1.00 0.65 H new ATOM 0 HD11 LEU A 405 4.271 8.301 -2.759 1.00 0.57 H new ATOM 0 HD12 LEU A 405 4.300 6.782 -1.833 1.00 0.57 H new ATOM 0 HD13 LEU A 405 3.438 8.199 -1.190 1.00 0.57 H new ATOM 0 HD21 LEU A 405 5.578 10.259 -2.008 1.00 0.64 H new ATOM 0 HD22 LEU A 405 4.773 10.222 -0.421 1.00 0.64 H new ATOM 0 HD23 LEU A 405 6.549 10.181 -0.519 1.00 0.64 H new ATOM 392 N LEU A 406 2.476 7.849 1.007 1.00 0.53 N ATOM 393 CA LEU A 406 1.087 8.042 0.503 1.00 0.50 C ATOM 394 C LEU A 406 0.388 9.126 1.326 1.00 0.49 C ATOM 395 O LEU A 406 -0.336 9.949 0.802 1.00 0.45 O ATOM 396 CB LEU A 406 0.407 6.687 0.700 1.00 0.58 C ATOM 397 CG LEU A 406 -1.020 6.737 0.148 1.00 0.60 C ATOM 398 CD1 LEU A 406 -0.977 6.820 -1.377 1.00 0.94 C ATOM 399 CD2 LEU A 406 -1.767 5.468 0.560 1.00 1.02 C ATOM 0 H LEU A 406 2.640 6.968 1.494 1.00 0.53 H new ATOM 0 HA LEU A 406 1.055 8.361 -0.539 1.00 0.50 H new ATOM 0 HB2 LEU A 406 0.976 5.907 0.193 1.00 0.58 H new ATOM 0 HB3 LEU A 406 0.388 6.430 1.759 1.00 0.58 H new ATOM 0 HG LEU A 406 -1.531 7.613 0.547 1.00 0.60 H new ATOM 0 HD11 LEU A 406 -1.994 6.855 -1.768 1.00 0.94 H new ATOM 0 HD12 LEU A 406 -0.441 7.720 -1.677 1.00 0.94 H new ATOM 0 HD13 LEU A 406 -0.466 5.943 -1.775 1.00 0.94 H new ATOM 0 HD21 LEU A 406 -2.784 5.501 0.168 1.00 1.02 H new ATOM 0 HD22 LEU A 406 -1.251 4.596 0.158 1.00 1.02 H new ATOM 0 HD23 LEU A 406 -1.799 5.402 1.647 1.00 1.02 H new ATOM 411 N ALA A 407 0.609 9.138 2.613 1.00 0.56 N ATOM 412 CA ALA A 407 -0.033 10.175 3.469 1.00 0.59 C ATOM 413 C ALA A 407 0.474 11.561 3.066 1.00 0.57 C ATOM 414 O ALA A 407 -0.298 12.458 2.788 1.00 0.61 O ATOM 415 CB ALA A 407 0.398 9.838 4.897 1.00 0.70 C ATOM 0 H ALA A 407 1.206 8.475 3.108 1.00 0.56 H new ATOM 0 HA ALA A 407 -1.118 10.186 3.369 1.00 0.59 H new ATOM 0 HB1 ALA A 407 -0.037 10.560 5.588 1.00 0.70 H new ATOM 0 HB2 ALA A 407 0.053 8.836 5.154 1.00 0.70 H new ATOM 0 HB3 ALA A 407 1.485 9.877 4.968 1.00 0.70 H new ATOM 421 N GLN A 408 1.766 11.741 3.021 1.00 0.57 N ATOM 422 CA GLN A 408 2.317 13.069 2.622 1.00 0.57 C ATOM 423 C GLN A 408 1.992 13.340 1.152 1.00 0.50 C ATOM 424 O GLN A 408 1.748 14.462 0.753 1.00 0.50 O ATOM 425 CB GLN A 408 3.827 12.952 2.828 1.00 0.62 C ATOM 426 CG GLN A 408 4.162 13.187 4.303 1.00 0.75 C ATOM 427 CD GLN A 408 5.471 13.971 4.413 1.00 0.78 C ATOM 428 OE1 GLN A 408 5.581 14.884 5.207 1.00 1.29 O ATOM 429 NE2 GLN A 408 6.476 13.651 3.645 1.00 1.46 N ATOM 0 H GLN A 408 2.462 11.029 3.242 1.00 0.57 H new ATOM 0 HA GLN A 408 1.895 13.889 3.203 1.00 0.57 H new ATOM 0 HB2 GLN A 408 4.171 11.965 2.519 1.00 0.62 H new ATOM 0 HB3 GLN A 408 4.347 13.680 2.206 1.00 0.62 H new ATOM 0 HG2 GLN A 408 3.355 13.737 4.786 1.00 0.75 H new ATOM 0 HG3 GLN A 408 4.253 12.233 4.822 1.00 0.75 H new ATOM 0 HE21 GLN A 408 6.384 12.885 2.978 1.00 1.46 H new ATOM 0 HE22 GLN A 408 7.353 14.167 3.711 1.00 1.46 H new ATOM 438 N TRP A 409 1.981 12.314 0.345 1.00 0.46 N ATOM 439 CA TRP A 409 1.665 12.496 -1.101 1.00 0.43 C ATOM 440 C TRP A 409 0.247 13.061 -1.251 1.00 0.40 C ATOM 441 O TRP A 409 0.040 14.089 -1.865 1.00 0.41 O ATOM 442 CB TRP A 409 1.770 11.085 -1.696 1.00 0.43 C ATOM 443 CG TRP A 409 1.185 11.054 -3.075 1.00 0.42 C ATOM 444 CD1 TRP A 409 1.702 11.682 -4.157 1.00 0.50 C ATOM 445 CD2 TRP A 409 -0.016 10.368 -3.531 1.00 0.40 C ATOM 446 NE1 TRP A 409 0.894 11.427 -5.253 1.00 0.53 N ATOM 447 CE2 TRP A 409 -0.178 10.623 -4.924 1.00 0.47 C ATOM 448 CE3 TRP A 409 -0.978 9.553 -2.880 1.00 0.39 C ATOM 449 CZ2 TRP A 409 -1.259 10.088 -5.648 1.00 0.50 C ATOM 450 CZ3 TRP A 409 -2.068 9.012 -3.604 1.00 0.43 C ATOM 451 CH2 TRP A 409 -2.207 9.279 -4.986 1.00 0.48 C ATOM 0 H TRP A 409 2.178 11.354 0.626 1.00 0.46 H new ATOM 0 HA TRP A 409 2.334 13.195 -1.604 1.00 0.43 H new ATOM 0 HB2 TRP A 409 2.814 10.775 -1.730 1.00 0.43 H new ATOM 0 HB3 TRP A 409 1.247 10.374 -1.056 1.00 0.43 H new ATOM 0 HD1 TRP A 409 2.599 12.284 -4.165 1.00 0.50 H new ATOM 0 HE1 TRP A 409 1.070 11.790 -6.190 1.00 0.53 H new ATOM 0 HE3 TRP A 409 -0.878 9.344 -1.825 1.00 0.39 H new ATOM 0 HZ2 TRP A 409 -1.363 10.295 -6.703 1.00 0.50 H new ATOM 0 HZ3 TRP A 409 -2.796 8.394 -3.099 1.00 0.43 H new ATOM 0 HH2 TRP A 409 -3.039 8.863 -5.535 1.00 0.48 H new ATOM 462 N ALA A 410 -0.728 12.398 -0.692 1.00 0.42 N ATOM 463 CA ALA A 410 -2.128 12.898 -0.799 1.00 0.44 C ATOM 464 C ALA A 410 -2.202 14.355 -0.338 1.00 0.45 C ATOM 465 O ALA A 410 -3.052 15.112 -0.765 1.00 0.47 O ATOM 466 CB ALA A 410 -2.943 11.997 0.129 1.00 0.51 C ATOM 0 H ALA A 410 -0.616 11.532 -0.166 1.00 0.42 H new ATOM 0 HA ALA A 410 -2.502 12.869 -1.823 1.00 0.44 H new ATOM 0 HB1 ALA A 410 -3.989 12.302 0.106 1.00 0.51 H new ATOM 0 HB2 ALA A 410 -2.859 10.962 -0.203 1.00 0.51 H new ATOM 0 HB3 ALA A 410 -2.562 12.083 1.147 1.00 0.51 H new ATOM 472 N ASP A 411 -1.311 14.756 0.529 1.00 0.48 N ATOM 473 CA ASP A 411 -1.324 16.164 1.015 1.00 0.53 C ATOM 474 C ASP A 411 -0.734 17.091 -0.051 1.00 0.53 C ATOM 475 O ASP A 411 -1.322 18.091 -0.411 1.00 0.58 O ATOM 476 CB ASP A 411 -0.448 16.161 2.269 1.00 0.60 C ATOM 477 CG ASP A 411 -0.499 17.539 2.932 1.00 1.03 C ATOM 478 OD1 ASP A 411 -1.479 18.236 2.730 1.00 1.78 O ATOM 479 OD2 ASP A 411 0.445 17.874 3.628 1.00 1.51 O ATOM 0 H ASP A 411 -0.575 14.168 0.921 1.00 0.48 H new ATOM 0 HA ASP A 411 -2.332 16.520 1.226 1.00 0.53 H new ATOM 0 HB2 ASP A 411 -0.795 15.398 2.966 1.00 0.60 H new ATOM 0 HB3 ASP A 411 0.580 15.910 2.007 1.00 0.60 H new ATOM 484 N ARG A 412 0.421 16.762 -0.564 1.00 0.51 N ATOM 485 CA ARG A 412 1.040 17.623 -1.611 1.00 0.56 C ATOM 486 C ARG A 412 0.063 17.818 -2.772 1.00 0.55 C ATOM 487 O ARG A 412 0.026 18.856 -3.401 1.00 0.63 O ATOM 488 CB ARG A 412 2.281 16.859 -2.074 1.00 0.58 C ATOM 489 CG ARG A 412 3.377 17.852 -2.464 1.00 0.96 C ATOM 490 CD ARG A 412 4.693 17.454 -1.791 1.00 1.50 C ATOM 491 NE ARG A 412 4.744 18.262 -0.540 1.00 1.90 N ATOM 492 CZ ARG A 412 5.766 18.156 0.263 1.00 2.41 C ATOM 493 NH1 ARG A 412 6.911 18.690 -0.064 1.00 2.89 N ATOM 494 NH2 ARG A 412 5.645 17.516 1.394 1.00 3.02 N ATOM 0 H ARG A 412 0.961 15.937 -0.304 1.00 0.51 H new ATOM 0 HA ARG A 412 1.293 18.615 -1.236 1.00 0.56 H new ATOM 0 HB2 ARG A 412 2.636 16.204 -1.278 1.00 0.58 H new ATOM 0 HB3 ARG A 412 2.033 16.223 -2.924 1.00 0.58 H new ATOM 0 HG2 ARG A 412 3.500 17.866 -3.547 1.00 0.96 H new ATOM 0 HG3 ARG A 412 3.093 18.860 -2.162 1.00 0.96 H new ATOM 0 HD2 ARG A 412 4.718 16.386 -1.573 1.00 1.50 H new ATOM 0 HD3 ARG A 412 5.546 17.668 -2.435 1.00 1.50 H new ATOM 0 HE ARG A 412 3.980 18.898 -0.312 1.00 1.90 H new ATOM 0 HH11 ARG A 412 7.007 19.190 -0.948 1.00 2.89 H new ATOM 0 HH12 ARG A 412 7.710 18.607 0.564 1.00 2.89 H new ATOM 0 HH21 ARG A 412 4.751 17.098 1.650 1.00 3.02 H new ATOM 0 HH22 ARG A 412 6.445 17.434 2.021 1.00 3.02 H new ATOM 508 N ALA A 413 -0.732 16.823 -3.054 1.00 0.50 N ATOM 509 CA ALA A 413 -1.714 16.946 -4.168 1.00 0.53 C ATOM 510 C ALA A 413 -2.887 17.826 -3.733 1.00 0.57 C ATOM 511 O ALA A 413 -3.430 18.585 -4.511 1.00 0.66 O ATOM 512 CB ALA A 413 -2.185 15.516 -4.440 1.00 0.53 C ATOM 0 H ALA A 413 -0.744 15.930 -2.561 1.00 0.50 H new ATOM 0 HA ALA A 413 -1.281 17.406 -5.057 1.00 0.53 H new ATOM 0 HB1 ALA A 413 -2.913 15.521 -5.251 1.00 0.53 H new ATOM 0 HB2 ALA A 413 -1.332 14.899 -4.722 1.00 0.53 H new ATOM 0 HB3 ALA A 413 -2.646 15.108 -3.541 1.00 0.53 H new ATOM 518 N LEU A 414 -3.279 17.730 -2.491 1.00 0.54 N ATOM 519 CA LEU A 414 -4.414 18.564 -2.000 1.00 0.61 C ATOM 520 C LEU A 414 -4.087 20.049 -2.175 1.00 0.71 C ATOM 521 O LEU A 414 -4.936 20.846 -2.525 1.00 0.82 O ATOM 522 CB LEU A 414 -4.546 18.216 -0.517 1.00 0.63 C ATOM 523 CG LEU A 414 -6.005 17.894 -0.193 1.00 0.71 C ATOM 524 CD1 LEU A 414 -6.371 16.532 -0.784 1.00 1.11 C ATOM 525 CD2 LEU A 414 -6.192 17.858 1.325 1.00 1.04 C ATOM 0 H LEU A 414 -2.863 17.111 -1.796 1.00 0.54 H new ATOM 0 HA LEU A 414 -5.337 18.373 -2.547 1.00 0.61 H new ATOM 0 HB2 LEU A 414 -3.913 17.362 -0.276 1.00 0.63 H new ATOM 0 HB3 LEU A 414 -4.203 19.050 0.095 1.00 0.63 H new ATOM 0 HG LEU A 414 -6.651 18.660 -0.622 1.00 0.71 H new ATOM 0 HD11 LEU A 414 -7.411 16.303 -0.553 1.00 1.11 H new ATOM 0 HD12 LEU A 414 -6.237 16.557 -1.865 1.00 1.11 H new ATOM 0 HD13 LEU A 414 -5.726 15.764 -0.356 1.00 1.11 H new ATOM 0 HD21 LEU A 414 -7.232 17.629 1.558 1.00 1.04 H new ATOM 0 HD22 LEU A 414 -5.546 17.091 1.753 1.00 1.04 H new ATOM 0 HD23 LEU A 414 -5.931 18.829 1.747 1.00 1.04 H new ATOM 537 N ARG A 415 -2.862 20.427 -1.934 1.00 0.73 N ATOM 538 CA ARG A 415 -2.478 21.860 -2.087 1.00 0.86 C ATOM 539 C ARG A 415 -2.374 22.238 -3.570 1.00 0.92 C ATOM 540 O ARG A 415 -2.181 23.389 -3.912 1.00 1.26 O ATOM 541 CB ARG A 415 -1.112 21.975 -1.408 1.00 1.01 C ATOM 542 CG ARG A 415 -0.767 23.450 -1.193 1.00 1.40 C ATOM 543 CD ARG A 415 0.279 23.572 -0.082 1.00 1.61 C ATOM 544 NE ARG A 415 0.394 25.034 0.176 1.00 2.27 N ATOM 545 CZ ARG A 415 1.280 25.743 -0.469 1.00 2.92 C ATOM 546 NH1 ARG A 415 2.530 25.724 -0.094 1.00 3.32 N ATOM 547 NH2 ARG A 415 0.916 26.471 -1.489 1.00 3.70 N ATOM 0 H ARG A 415 -2.109 19.806 -1.638 1.00 0.73 H new ATOM 0 HA ARG A 415 -3.216 22.530 -1.646 1.00 0.86 H new ATOM 0 HB2 ARG A 415 -1.125 21.451 -0.452 1.00 1.01 H new ATOM 0 HB3 ARG A 415 -0.348 21.498 -2.022 1.00 1.01 H new ATOM 0 HG2 ARG A 415 -0.384 23.884 -2.117 1.00 1.40 H new ATOM 0 HG3 ARG A 415 -1.664 24.009 -0.926 1.00 1.40 H new ATOM 0 HD2 ARG A 415 -0.032 23.036 0.814 1.00 1.61 H new ATOM 0 HD3 ARG A 415 1.235 23.149 -0.391 1.00 1.61 H new ATOM 0 HE ARG A 415 -0.220 25.481 0.857 1.00 2.27 H new ATOM 0 HH11 ARG A 415 2.815 25.155 0.703 1.00 3.32 H new ATOM 0 HH12 ARG A 415 3.222 26.278 -0.598 1.00 3.32 H new ATOM 0 HH21 ARG A 415 -0.061 26.486 -1.782 1.00 3.70 H new ATOM 0 HH22 ARG A 415 1.608 27.025 -1.993 1.00 3.70 H new ATOM 561 N SER A 416 -2.499 21.285 -4.457 1.00 0.90 N ATOM 562 CA SER A 416 -2.406 21.606 -5.911 1.00 0.99 C ATOM 563 C SER A 416 -3.685 21.170 -6.632 1.00 0.99 C ATOM 564 O SER A 416 -4.530 21.980 -6.960 1.00 1.63 O ATOM 565 CB SER A 416 -1.208 20.803 -6.416 1.00 1.20 C ATOM 566 OG SER A 416 -0.197 21.698 -6.861 1.00 1.69 O ATOM 0 H SER A 416 -2.661 20.302 -4.238 1.00 0.90 H new ATOM 0 HA SER A 416 -2.288 22.674 -6.092 1.00 0.99 H new ATOM 0 HB2 SER A 416 -0.821 20.166 -5.621 1.00 1.20 H new ATOM 0 HB3 SER A 416 -1.513 20.146 -7.231 1.00 1.20 H new ATOM 0 HG SER A 416 0.574 21.186 -7.184 1.00 1.69 H new ATOM 572 N GLY A 417 -3.834 19.899 -6.881 1.00 1.06 N ATOM 573 CA GLY A 417 -5.057 19.414 -7.578 1.00 1.06 C ATOM 574 C GLY A 417 -5.245 17.921 -7.303 1.00 0.99 C ATOM 575 O GLY A 417 -4.821 17.080 -8.071 1.00 1.31 O ATOM 0 H GLY A 417 -3.161 19.175 -6.632 1.00 1.06 H new ATOM 0 HA2 GLY A 417 -5.929 19.970 -7.234 1.00 1.06 H new ATOM 0 HA3 GLY A 417 -4.970 19.589 -8.650 1.00 1.06 H new ATOM 579 N HIS A 418 -5.875 17.585 -6.211 1.00 0.78 N ATOM 580 CA HIS A 418 -6.090 16.146 -5.884 1.00 0.87 C ATOM 581 C HIS A 418 -7.039 15.504 -6.900 1.00 0.89 C ATOM 582 O HIS A 418 -7.961 16.129 -7.385 1.00 1.17 O ATOM 583 CB HIS A 418 -6.719 16.146 -4.489 1.00 1.01 C ATOM 584 CG HIS A 418 -7.960 16.996 -4.494 1.00 1.68 C ATOM 585 ND1 HIS A 418 -9.187 16.825 -5.084 1.00 2.18 N flip ATOM 586 CD2 HIS A 418 -8.028 18.208 -3.825 1.00 2.31 C flip ATOM 587 CE1 HIS A 418 -10.006 17.910 -4.787 1.00 2.86 C flip ATOM 588 NE2 HIS A 418 -9.258 18.714 -4.026 1.00 2.97 N flip ATOM 0 H HIS A 418 -6.251 18.245 -5.530 1.00 0.78 H new ATOM 0 HA HIS A 418 -5.162 15.575 -5.914 1.00 0.87 H new ATOM 0 HB2 HIS A 418 -6.965 15.127 -4.190 1.00 1.01 H new ATOM 0 HB3 HIS A 418 -6.007 16.529 -3.758 1.00 1.01 H new ATOM 0 HD1 HIS A 418 -9.458 16.024 -5.654 1.00 2.18 H new ATOM 0 HD2 HIS A 418 -7.237 18.663 -3.247 1.00 2.31 H new ATOM 0 HE1 HIS A 418 -11.026 18.068 -5.103 1.00 2.86 H new ATOM 596 N GLN A 419 -6.821 14.258 -7.221 1.00 1.08 N ATOM 597 CA GLN A 419 -7.706 13.568 -8.200 1.00 1.25 C ATOM 598 C GLN A 419 -7.649 12.055 -7.976 1.00 1.03 C ATOM 599 O GLN A 419 -8.524 11.476 -7.362 1.00 1.28 O ATOM 600 CB GLN A 419 -7.141 13.934 -9.573 1.00 1.71 C ATOM 601 CG GLN A 419 -8.151 14.802 -10.327 1.00 2.33 C ATOM 602 CD GLN A 419 -7.421 15.635 -11.382 1.00 2.91 C ATOM 603 OE1 GLN A 419 -7.809 16.751 -11.667 1.00 3.29 O ATOM 604 NE2 GLN A 419 -6.372 15.138 -11.978 1.00 3.52 N ATOM 0 H GLN A 419 -6.064 13.686 -6.845 1.00 1.08 H new ATOM 0 HA GLN A 419 -8.750 13.866 -8.102 1.00 1.25 H new ATOM 0 HB2 GLN A 419 -6.199 14.470 -9.459 1.00 1.71 H new ATOM 0 HB3 GLN A 419 -6.926 13.030 -10.142 1.00 1.71 H new ATOM 0 HG2 GLN A 419 -8.904 14.173 -10.802 1.00 2.33 H new ATOM 0 HG3 GLN A 419 -8.675 15.456 -9.631 1.00 2.33 H new ATOM 0 HE21 GLN A 419 -6.046 14.202 -11.739 1.00 3.52 H new ATOM 0 HE22 GLN A 419 -5.878 15.686 -12.682 1.00 3.52 H new ATOM 613 N ASN A 420 -6.624 11.410 -8.463 1.00 0.78 N ATOM 614 CA ASN A 420 -6.508 9.937 -8.271 1.00 0.70 C ATOM 615 C ASN A 420 -5.749 9.641 -6.975 1.00 0.58 C ATOM 616 O ASN A 420 -4.632 9.162 -6.996 1.00 0.71 O ATOM 617 CB ASN A 420 -5.721 9.437 -9.482 1.00 0.86 C ATOM 618 CG ASN A 420 -6.616 9.466 -10.722 1.00 1.35 C ATOM 619 OD1 ASN A 420 -7.449 8.601 -10.904 1.00 1.96 O ATOM 620 ND2 ASN A 420 -6.479 10.433 -11.587 1.00 1.88 N ATOM 0 H ASN A 420 -5.861 11.840 -8.986 1.00 0.78 H new ATOM 0 HA ASN A 420 -7.480 9.449 -8.193 1.00 0.70 H new ATOM 0 HB2 ASN A 420 -4.842 10.062 -9.641 1.00 0.86 H new ATOM 0 HB3 ASN A 420 -5.363 8.423 -9.303 1.00 0.86 H new ATOM 0 HD21 ASN A 420 -7.072 10.463 -12.417 1.00 1.88 H new ATOM 0 HD22 ASN A 420 -5.779 11.159 -11.434 1.00 1.88 H new ATOM 627 N LEU A 421 -6.341 9.931 -5.849 1.00 0.45 N ATOM 628 CA LEU A 421 -5.649 9.677 -4.552 1.00 0.40 C ATOM 629 C LEU A 421 -5.698 8.188 -4.198 1.00 0.39 C ATOM 630 O LEU A 421 -4.712 7.485 -4.295 1.00 0.53 O ATOM 631 CB LEU A 421 -6.430 10.496 -3.524 1.00 0.42 C ATOM 632 CG LEU A 421 -5.871 11.918 -3.474 1.00 0.39 C ATOM 633 CD1 LEU A 421 -7.006 12.902 -3.185 1.00 0.50 C ATOM 634 CD2 LEU A 421 -4.822 12.016 -2.366 1.00 0.41 C ATOM 0 H LEU A 421 -7.275 10.333 -5.770 1.00 0.45 H new ATOM 0 HA LEU A 421 -4.596 9.956 -4.588 1.00 0.40 H new ATOM 0 HB2 LEU A 421 -7.487 10.519 -3.789 1.00 0.42 H new ATOM 0 HB3 LEU A 421 -6.357 10.030 -2.541 1.00 0.42 H new ATOM 0 HG LEU A 421 -5.412 12.160 -4.433 1.00 0.39 H new ATOM 0 HD11 LEU A 421 -6.608 13.916 -3.149 1.00 0.50 H new ATOM 0 HD12 LEU A 421 -7.756 12.834 -3.973 1.00 0.50 H new ATOM 0 HD13 LEU A 421 -7.464 12.658 -2.226 1.00 0.50 H new ATOM 0 HD21 LEU A 421 -4.424 13.030 -2.331 1.00 0.41 H new ATOM 0 HD22 LEU A 421 -5.281 11.773 -1.408 1.00 0.41 H new ATOM 0 HD23 LEU A 421 -4.012 11.315 -2.569 1.00 0.41 H new ATOM 646 N LEU A 422 -6.836 7.704 -3.782 1.00 0.33 N ATOM 647 CA LEU A 422 -6.942 6.262 -3.413 1.00 0.34 C ATOM 648 C LEU A 422 -6.923 5.383 -4.667 1.00 0.35 C ATOM 649 O LEU A 422 -6.493 4.250 -4.634 1.00 0.37 O ATOM 650 CB LEU A 422 -8.286 6.137 -2.693 1.00 0.37 C ATOM 651 CG LEU A 422 -8.067 6.239 -1.183 1.00 0.38 C ATOM 652 CD1 LEU A 422 -9.420 6.298 -0.473 1.00 0.58 C ATOM 653 CD2 LEU A 422 -7.290 5.013 -0.699 1.00 0.63 C ATOM 0 H LEU A 422 -7.696 8.243 -3.681 1.00 0.33 H new ATOM 0 HA LEU A 422 -6.109 5.937 -2.789 1.00 0.34 H new ATOM 0 HB2 LEU A 422 -8.964 6.923 -3.027 1.00 0.37 H new ATOM 0 HB3 LEU A 422 -8.756 5.185 -2.940 1.00 0.37 H new ATOM 0 HG LEU A 422 -7.500 7.142 -0.958 1.00 0.38 H new ATOM 0 HD11 LEU A 422 -9.263 6.371 0.603 1.00 0.58 H new ATOM 0 HD12 LEU A 422 -9.975 7.170 -0.819 1.00 0.58 H new ATOM 0 HD13 LEU A 422 -9.988 5.395 -0.697 1.00 0.58 H new ATOM 0 HD21 LEU A 422 -7.133 5.084 0.377 1.00 0.63 H new ATOM 0 HD22 LEU A 422 -7.858 4.110 -0.924 1.00 0.63 H new ATOM 0 HD23 LEU A 422 -6.325 4.971 -1.205 1.00 0.63 H new ATOM 665 N SER A 423 -7.392 5.897 -5.770 1.00 0.35 N ATOM 666 CA SER A 423 -7.409 5.089 -7.025 1.00 0.38 C ATOM 667 C SER A 423 -5.986 4.692 -7.440 1.00 0.36 C ATOM 668 O SER A 423 -5.796 3.831 -8.276 1.00 0.40 O ATOM 669 CB SER A 423 -8.037 6.006 -8.074 1.00 0.44 C ATOM 670 OG SER A 423 -7.085 6.985 -8.470 1.00 1.23 O ATOM 0 H SER A 423 -7.765 6.842 -5.858 1.00 0.35 H new ATOM 0 HA SER A 423 -7.965 4.159 -6.903 1.00 0.38 H new ATOM 0 HB2 SER A 423 -8.358 5.424 -8.938 1.00 0.44 H new ATOM 0 HB3 SER A 423 -8.925 6.489 -7.667 1.00 0.44 H new ATOM 0 HG SER A 423 -7.365 7.390 -9.317 1.00 1.23 H new ATOM 676 N GLU A 424 -4.986 5.311 -6.872 1.00 0.34 N ATOM 677 CA GLU A 424 -3.585 4.961 -7.248 1.00 0.36 C ATOM 678 C GLU A 424 -3.042 3.851 -6.341 1.00 0.32 C ATOM 679 O GLU A 424 -2.590 2.823 -6.803 1.00 0.33 O ATOM 680 CB GLU A 424 -2.791 6.251 -7.049 1.00 0.38 C ATOM 681 CG GLU A 424 -2.468 6.867 -8.412 1.00 0.58 C ATOM 682 CD GLU A 424 -1.591 8.104 -8.219 1.00 0.81 C ATOM 683 OE1 GLU A 424 -0.633 8.017 -7.469 1.00 1.54 O ATOM 684 OE2 GLU A 424 -1.893 9.120 -8.824 1.00 1.22 O ATOM 0 H GLU A 424 -5.078 6.042 -6.166 1.00 0.34 H new ATOM 0 HA GLU A 424 -3.517 4.589 -8.270 1.00 0.36 H new ATOM 0 HB2 GLU A 424 -3.365 6.955 -6.447 1.00 0.38 H new ATOM 0 HB3 GLU A 424 -1.870 6.043 -6.504 1.00 0.38 H new ATOM 0 HG2 GLU A 424 -1.954 6.139 -9.039 1.00 0.58 H new ATOM 0 HG3 GLU A 424 -3.389 7.138 -8.928 1.00 0.58 H new ATOM 691 N ALA A 425 -3.076 4.057 -5.053 1.00 0.31 N ATOM 692 CA ALA A 425 -2.553 3.022 -4.113 1.00 0.29 C ATOM 693 C ALA A 425 -3.526 1.843 -4.010 1.00 0.28 C ATOM 694 O ALA A 425 -3.154 0.751 -3.628 1.00 0.28 O ATOM 695 CB ALA A 425 -2.441 3.742 -2.770 1.00 0.29 C ATOM 0 H ALA A 425 -3.444 4.898 -4.609 1.00 0.31 H new ATOM 0 HA ALA A 425 -1.600 2.609 -4.444 1.00 0.29 H new ATOM 0 HB1 ALA A 425 -2.062 3.051 -2.017 1.00 0.29 H new ATOM 0 HB2 ALA A 425 -1.757 4.586 -2.865 1.00 0.29 H new ATOM 0 HB3 ALA A 425 -3.424 4.104 -2.468 1.00 0.29 H new ATOM 701 N GLN A 426 -4.768 2.053 -4.345 1.00 0.30 N ATOM 702 CA GLN A 426 -5.763 0.945 -4.262 1.00 0.31 C ATOM 703 C GLN A 426 -5.289 -0.278 -5.062 1.00 0.30 C ATOM 704 O GLN A 426 -5.161 -1.357 -4.515 1.00 0.30 O ATOM 705 CB GLN A 426 -7.045 1.513 -4.871 1.00 0.36 C ATOM 706 CG GLN A 426 -7.941 2.064 -3.760 1.00 0.45 C ATOM 707 CD GLN A 426 -9.231 2.616 -4.369 1.00 0.54 C ATOM 708 OE1 GLN A 426 -9.384 3.812 -4.513 1.00 1.23 O ATOM 709 NE2 GLN A 426 -10.169 1.788 -4.738 1.00 1.09 N ATOM 0 H GLN A 426 -5.139 2.945 -4.673 1.00 0.30 H new ATOM 0 HA GLN A 426 -5.907 0.610 -3.235 1.00 0.31 H new ATOM 0 HB2 GLN A 426 -6.803 2.303 -5.582 1.00 0.36 H new ATOM 0 HB3 GLN A 426 -7.572 0.736 -5.425 1.00 0.36 H new ATOM 0 HG2 GLN A 426 -8.173 1.277 -3.042 1.00 0.45 H new ATOM 0 HG3 GLN A 426 -7.419 2.850 -3.214 1.00 0.45 H new ATOM 0 HE21 GLN A 426 -10.039 0.784 -4.617 1.00 1.09 H new ATOM 0 HE22 GLN A 426 -11.032 2.145 -5.148 1.00 1.09 H new ATOM 718 N PRO A 427 -5.052 -0.079 -6.338 1.00 0.32 N ATOM 719 CA PRO A 427 -4.604 -1.199 -7.205 1.00 0.34 C ATOM 720 C PRO A 427 -3.195 -1.656 -6.821 1.00 0.31 C ATOM 721 O PRO A 427 -2.813 -2.779 -7.072 1.00 0.35 O ATOM 722 CB PRO A 427 -4.628 -0.600 -8.610 1.00 0.39 C ATOM 723 CG PRO A 427 -4.492 0.871 -8.400 1.00 0.38 C ATOM 724 CD PRO A 427 -5.169 1.179 -7.091 1.00 0.35 C ATOM 0 HA PRO A 427 -5.234 -2.084 -7.116 1.00 0.34 H new ATOM 0 HB2 PRO A 427 -3.813 -0.989 -9.220 1.00 0.39 H new ATOM 0 HB3 PRO A 427 -5.557 -0.842 -9.127 1.00 0.39 H new ATOM 0 HG2 PRO A 427 -3.442 1.164 -8.372 1.00 0.38 H new ATOM 0 HG3 PRO A 427 -4.956 1.424 -9.217 1.00 0.38 H new ATOM 0 HD2 PRO A 427 -4.682 2.004 -6.572 1.00 0.35 H new ATOM 0 HD3 PRO A 427 -6.211 1.464 -7.236 1.00 0.35 H new ATOM 732 N GLU A 428 -2.421 -0.804 -6.209 1.00 0.29 N ATOM 733 CA GLU A 428 -1.043 -1.214 -5.812 1.00 0.29 C ATOM 734 C GLU A 428 -1.113 -2.344 -4.782 1.00 0.27 C ATOM 735 O GLU A 428 -0.489 -3.375 -4.933 1.00 0.32 O ATOM 736 CB GLU A 428 -0.414 0.038 -5.200 1.00 0.29 C ATOM 737 CG GLU A 428 1.006 0.214 -5.743 1.00 0.71 C ATOM 738 CD GLU A 428 0.950 0.902 -7.109 1.00 1.37 C ATOM 739 OE1 GLU A 428 0.495 2.033 -7.162 1.00 2.12 O ATOM 740 OE2 GLU A 428 1.362 0.286 -8.078 1.00 2.07 O ATOM 0 H GLU A 428 -2.679 0.153 -5.967 1.00 0.29 H new ATOM 0 HA GLU A 428 -0.460 -1.585 -6.655 1.00 0.29 H new ATOM 0 HB2 GLU A 428 -1.017 0.914 -5.438 1.00 0.29 H new ATOM 0 HB3 GLU A 428 -0.391 -0.048 -4.114 1.00 0.29 H new ATOM 0 HG2 GLU A 428 1.601 0.808 -5.049 1.00 0.71 H new ATOM 0 HG3 GLU A 428 1.495 -0.756 -5.833 1.00 0.71 H new ATOM 747 N LEU A 429 -1.875 -2.161 -3.737 1.00 0.26 N ATOM 748 CA LEU A 429 -1.988 -3.230 -2.703 1.00 0.26 C ATOM 749 C LEU A 429 -2.648 -4.471 -3.312 1.00 0.25 C ATOM 750 O LEU A 429 -2.177 -5.580 -3.149 1.00 0.28 O ATOM 751 CB LEU A 429 -2.867 -2.622 -1.600 1.00 0.26 C ATOM 752 CG LEU A 429 -3.302 -3.709 -0.606 1.00 0.29 C ATOM 753 CD1 LEU A 429 -2.072 -4.435 -0.056 1.00 0.45 C ATOM 754 CD2 LEU A 429 -4.066 -3.060 0.551 1.00 0.56 C ATOM 0 H LEU A 429 -2.423 -1.320 -3.555 1.00 0.26 H new ATOM 0 HA LEU A 429 -1.020 -3.546 -2.314 1.00 0.26 H new ATOM 0 HB2 LEU A 429 -2.317 -1.840 -1.077 1.00 0.26 H new ATOM 0 HB3 LEU A 429 -3.745 -2.152 -2.043 1.00 0.26 H new ATOM 0 HG LEU A 429 -3.944 -4.427 -1.117 1.00 0.29 H new ATOM 0 HD11 LEU A 429 -2.388 -5.204 0.648 1.00 0.45 H new ATOM 0 HD12 LEU A 429 -1.525 -4.898 -0.877 1.00 0.45 H new ATOM 0 HD13 LEU A 429 -1.425 -3.721 0.453 1.00 0.45 H new ATOM 0 HD21 LEU A 429 -4.376 -3.829 1.259 1.00 0.56 H new ATOM 0 HD22 LEU A 429 -3.420 -2.342 1.056 1.00 0.56 H new ATOM 0 HD23 LEU A 429 -4.946 -2.547 0.163 1.00 0.56 H new ATOM 766 N GLU A 430 -3.734 -4.294 -4.013 1.00 0.27 N ATOM 767 CA GLU A 430 -4.419 -5.465 -4.631 1.00 0.28 C ATOM 768 C GLU A 430 -3.464 -6.196 -5.580 1.00 0.30 C ATOM 769 O GLU A 430 -3.416 -7.408 -5.616 1.00 0.33 O ATOM 770 CB GLU A 430 -5.597 -4.873 -5.404 1.00 0.30 C ATOM 771 CG GLU A 430 -6.900 -5.180 -4.663 1.00 0.61 C ATOM 772 CD GLU A 430 -7.149 -4.106 -3.601 1.00 1.45 C ATOM 773 OE1 GLU A 430 -7.165 -2.941 -3.958 1.00 2.18 O ATOM 774 OE2 GLU A 430 -7.318 -4.469 -2.449 1.00 2.05 O ATOM 0 H GLU A 430 -4.176 -3.391 -4.185 1.00 0.27 H new ATOM 0 HA GLU A 430 -4.745 -6.193 -3.888 1.00 0.28 H new ATOM 0 HB2 GLU A 430 -5.472 -3.795 -5.510 1.00 0.30 H new ATOM 0 HB3 GLU A 430 -5.632 -5.290 -6.410 1.00 0.30 H new ATOM 0 HG2 GLU A 430 -7.732 -5.211 -5.366 1.00 0.61 H new ATOM 0 HG3 GLU A 430 -6.842 -6.163 -4.195 1.00 0.61 H new ATOM 781 N ARG A 431 -2.706 -5.466 -6.351 1.00 0.33 N ATOM 782 CA ARG A 431 -1.755 -6.117 -7.299 1.00 0.37 C ATOM 783 C ARG A 431 -0.660 -6.863 -6.532 1.00 0.36 C ATOM 784 O ARG A 431 -0.370 -8.011 -6.803 1.00 0.38 O ATOM 785 CB ARG A 431 -1.150 -4.965 -8.104 1.00 0.41 C ATOM 786 CG ARG A 431 -0.480 -5.518 -9.363 1.00 0.59 C ATOM 787 CD ARG A 431 1.037 -5.547 -9.164 1.00 1.32 C ATOM 788 NE ARG A 431 1.603 -5.045 -10.446 1.00 1.56 N ATOM 789 CZ ARG A 431 2.805 -4.538 -10.474 1.00 2.19 C ATOM 790 NH1 ARG A 431 2.997 -3.295 -10.129 1.00 2.87 N ATOM 791 NH2 ARG A 431 3.815 -5.276 -10.847 1.00 2.78 N ATOM 0 H ARG A 431 -2.703 -4.446 -6.366 1.00 0.33 H new ATOM 0 HA ARG A 431 -2.249 -6.850 -7.936 1.00 0.37 H new ATOM 0 HB2 ARG A 431 -1.927 -4.251 -8.377 1.00 0.41 H new ATOM 0 HB3 ARG A 431 -0.421 -4.427 -7.498 1.00 0.41 H new ATOM 0 HG2 ARG A 431 -0.849 -6.522 -9.573 1.00 0.59 H new ATOM 0 HG3 ARG A 431 -0.733 -4.899 -10.224 1.00 0.59 H new ATOM 0 HD2 ARG A 431 1.337 -4.917 -8.326 1.00 1.32 H new ATOM 0 HD3 ARG A 431 1.387 -6.556 -8.946 1.00 1.32 H new ATOM 0 HE ARG A 431 1.051 -5.097 -11.302 1.00 1.56 H new ATOM 0 HH11 ARG A 431 2.207 -2.719 -9.837 1.00 2.87 H new ATOM 0 HH12 ARG A 431 3.937 -2.899 -10.151 1.00 2.87 H new ATOM 0 HH21 ARG A 431 3.664 -6.248 -11.116 1.00 2.78 H new ATOM 0 HH22 ARG A 431 4.755 -4.880 -10.869 1.00 2.78 H new ATOM 805 N THR A 432 -0.043 -6.215 -5.583 1.00 0.41 N ATOM 806 CA THR A 432 1.041 -6.880 -4.805 1.00 0.45 C ATOM 807 C THR A 432 0.563 -8.225 -4.251 1.00 0.40 C ATOM 808 O THR A 432 1.151 -9.257 -4.509 1.00 0.56 O ATOM 809 CB THR A 432 1.356 -5.912 -3.663 1.00 0.53 C ATOM 810 OG1 THR A 432 1.618 -4.622 -4.197 1.00 0.61 O ATOM 811 CG2 THR A 432 2.583 -6.407 -2.895 1.00 0.62 C ATOM 0 H THR A 432 -0.243 -5.252 -5.312 1.00 0.41 H new ATOM 0 HA THR A 432 1.916 -7.090 -5.420 1.00 0.45 H new ATOM 0 HB THR A 432 0.504 -5.859 -2.986 1.00 0.53 H new ATOM 0 HG1 THR A 432 0.814 -4.066 -4.119 1.00 0.61 H new ATOM 0 HG21 THR A 432 2.806 -5.716 -2.082 1.00 0.62 H new ATOM 0 HG22 THR A 432 2.381 -7.397 -2.485 1.00 0.62 H new ATOM 0 HG23 THR A 432 3.437 -6.461 -3.570 1.00 0.62 H new ATOM 819 N LEU A 433 -0.493 -8.224 -3.482 1.00 0.33 N ATOM 820 CA LEU A 433 -0.995 -9.504 -2.906 1.00 0.30 C ATOM 821 C LEU A 433 -1.523 -10.426 -4.011 1.00 0.27 C ATOM 822 O LEU A 433 -1.207 -11.598 -4.054 1.00 0.25 O ATOM 823 CB LEU A 433 -2.125 -9.099 -1.960 1.00 0.37 C ATOM 824 CG LEU A 433 -1.940 -9.803 -0.616 1.00 0.42 C ATOM 825 CD1 LEU A 433 -1.975 -11.318 -0.826 1.00 0.41 C ATOM 826 CD2 LEU A 433 -0.589 -9.406 -0.013 1.00 0.44 C ATOM 0 H LEU A 433 -1.028 -7.394 -3.229 1.00 0.33 H new ATOM 0 HA LEU A 433 -0.207 -10.054 -2.391 1.00 0.30 H new ATOM 0 HB2 LEU A 433 -2.126 -8.018 -1.819 1.00 0.37 H new ATOM 0 HB3 LEU A 433 -3.089 -9.365 -2.393 1.00 0.37 H new ATOM 0 HG LEU A 433 -2.742 -9.509 0.061 1.00 0.42 H new ATOM 0 HD11 LEU A 433 -1.843 -11.821 0.132 1.00 0.41 H new ATOM 0 HD12 LEU A 433 -2.935 -11.604 -1.257 1.00 0.41 H new ATOM 0 HD13 LEU A 433 -1.172 -11.610 -1.503 1.00 0.41 H new ATOM 0 HD21 LEU A 433 -0.457 -9.908 0.946 1.00 0.44 H new ATOM 0 HD22 LEU A 433 0.212 -9.701 -0.690 1.00 0.44 H new ATOM 0 HD23 LEU A 433 -0.560 -8.327 0.136 1.00 0.44 H new ATOM 838 N LEU A 434 -2.325 -9.910 -4.904 1.00 0.32 N ATOM 839 CA LEU A 434 -2.869 -10.767 -5.999 1.00 0.32 C ATOM 840 C LEU A 434 -1.733 -11.519 -6.700 1.00 0.29 C ATOM 841 O LEU A 434 -1.834 -12.697 -6.977 1.00 0.30 O ATOM 842 CB LEU A 434 -3.550 -9.799 -6.968 1.00 0.41 C ATOM 843 CG LEU A 434 -4.221 -10.591 -8.091 1.00 0.65 C ATOM 844 CD1 LEU A 434 -5.734 -10.614 -7.866 1.00 0.84 C ATOM 845 CD2 LEU A 434 -3.916 -9.927 -9.435 1.00 1.14 C ATOM 0 H LEU A 434 -2.626 -8.936 -4.923 1.00 0.32 H new ATOM 0 HA LEU A 434 -3.563 -11.519 -5.623 1.00 0.32 H new ATOM 0 HB2 LEU A 434 -4.290 -9.199 -6.439 1.00 0.41 H new ATOM 0 HB3 LEU A 434 -2.817 -9.108 -7.384 1.00 0.41 H new ATOM 0 HG LEU A 434 -3.839 -11.612 -8.094 1.00 0.65 H new ATOM 0 HD11 LEU A 434 -6.212 -11.178 -8.666 1.00 0.84 H new ATOM 0 HD12 LEU A 434 -5.952 -11.086 -6.908 1.00 0.84 H new ATOM 0 HD13 LEU A 434 -6.117 -9.593 -7.863 1.00 0.84 H new ATOM 0 HD21 LEU A 434 -4.394 -10.491 -10.236 1.00 1.14 H new ATOM 0 HD22 LEU A 434 -4.298 -8.906 -9.432 1.00 1.14 H new ATOM 0 HD23 LEU A 434 -2.838 -9.910 -9.596 1.00 1.14 H new ATOM 857 N THR A 435 -0.652 -10.847 -6.985 1.00 0.34 N ATOM 858 CA THR A 435 0.489 -11.527 -7.662 1.00 0.37 C ATOM 859 C THR A 435 1.171 -12.494 -6.692 1.00 0.35 C ATOM 860 O THR A 435 1.721 -13.503 -7.089 1.00 0.39 O ATOM 861 CB THR A 435 1.444 -10.402 -8.061 1.00 0.45 C ATOM 862 OG1 THR A 435 0.714 -9.375 -8.718 1.00 0.52 O ATOM 863 CG2 THR A 435 2.518 -10.951 -9.002 1.00 0.55 C ATOM 0 H THR A 435 -0.509 -9.858 -6.779 1.00 0.34 H new ATOM 0 HA THR A 435 0.171 -12.112 -8.525 1.00 0.37 H new ATOM 0 HB THR A 435 1.921 -9.996 -7.169 1.00 0.45 H new ATOM 0 HG1 THR A 435 0.540 -8.644 -8.089 1.00 0.52 H new ATOM 0 HG21 THR A 435 3.198 -10.148 -9.286 1.00 0.55 H new ATOM 0 HG22 THR A 435 3.077 -11.738 -8.496 1.00 0.55 H new ATOM 0 HG23 THR A 435 2.045 -11.359 -9.896 1.00 0.55 H new ATOM 871 N THR A 436 1.137 -12.197 -5.422 1.00 0.33 N ATOM 872 CA THR A 436 1.780 -13.102 -4.428 1.00 0.36 C ATOM 873 C THR A 436 1.005 -14.418 -4.343 1.00 0.36 C ATOM 874 O THR A 436 1.496 -15.461 -4.725 1.00 0.40 O ATOM 875 CB THR A 436 1.710 -12.346 -3.099 1.00 0.38 C ATOM 876 OG1 THR A 436 2.344 -11.083 -3.241 1.00 0.39 O ATOM 877 CG2 THR A 436 2.419 -13.155 -2.011 1.00 0.49 C ATOM 0 H THR A 436 0.692 -11.367 -5.030 1.00 0.33 H new ATOM 0 HA THR A 436 2.806 -13.353 -4.696 1.00 0.36 H new ATOM 0 HB THR A 436 0.667 -12.200 -2.818 1.00 0.38 H new ATOM 0 HG1 THR A 436 1.673 -10.403 -3.457 1.00 0.39 H new ATOM 0 HG21 THR A 436 2.368 -12.616 -1.065 1.00 0.49 H new ATOM 0 HG22 THR A 436 1.932 -14.124 -1.902 1.00 0.49 H new ATOM 0 HG23 THR A 436 3.463 -13.303 -2.289 1.00 0.49 H new ATOM 885 N ALA A 437 -0.207 -14.378 -3.856 1.00 0.34 N ATOM 886 CA ALA A 437 -1.010 -15.632 -3.762 1.00 0.36 C ATOM 887 C ALA A 437 -1.056 -16.314 -5.129 1.00 0.36 C ATOM 888 O ALA A 437 -0.954 -17.521 -5.233 1.00 0.41 O ATOM 889 CB ALA A 437 -2.407 -15.182 -3.334 1.00 0.35 C ATOM 0 H ALA A 437 -0.674 -13.535 -3.521 1.00 0.34 H new ATOM 0 HA ALA A 437 -0.588 -16.348 -3.057 1.00 0.36 H new ATOM 0 HB1 ALA A 437 -3.058 -16.052 -3.243 1.00 0.35 H new ATOM 0 HB2 ALA A 437 -2.346 -14.672 -2.372 1.00 0.35 H new ATOM 0 HB3 ALA A 437 -2.814 -14.501 -4.081 1.00 0.35 H new ATOM 895 N LEU A 438 -1.194 -15.554 -6.182 1.00 0.34 N ATOM 896 CA LEU A 438 -1.226 -16.175 -7.532 1.00 0.36 C ATOM 897 C LEU A 438 0.068 -16.960 -7.749 1.00 0.42 C ATOM 898 O LEU A 438 0.068 -18.023 -8.333 1.00 0.46 O ATOM 899 CB LEU A 438 -1.331 -15.014 -8.527 1.00 0.36 C ATOM 900 CG LEU A 438 -1.144 -15.544 -9.956 1.00 0.41 C ATOM 901 CD1 LEU A 438 -2.158 -16.657 -10.235 1.00 0.42 C ATOM 902 CD2 LEU A 438 -1.358 -14.408 -10.958 1.00 0.45 C ATOM 0 H LEU A 438 -1.285 -14.538 -6.164 1.00 0.34 H new ATOM 0 HA LEU A 438 -2.060 -16.866 -7.654 1.00 0.36 H new ATOM 0 HB2 LEU A 438 -2.302 -14.527 -8.433 1.00 0.36 H new ATOM 0 HB3 LEU A 438 -0.574 -14.262 -8.305 1.00 0.36 H new ATOM 0 HG LEU A 438 -0.133 -15.939 -10.058 1.00 0.41 H new ATOM 0 HD11 LEU A 438 -2.020 -17.029 -11.250 1.00 0.42 H new ATOM 0 HD12 LEU A 438 -2.008 -17.472 -9.527 1.00 0.42 H new ATOM 0 HD13 LEU A 438 -3.169 -16.264 -10.127 1.00 0.42 H new ATOM 0 HD21 LEU A 438 -1.225 -14.787 -11.971 1.00 0.45 H new ATOM 0 HD22 LEU A 438 -2.367 -14.012 -10.849 1.00 0.45 H new ATOM 0 HD23 LEU A 438 -0.634 -13.615 -10.769 1.00 0.45 H new ATOM 914 N ARG A 439 1.174 -16.449 -7.272 1.00 0.43 N ATOM 915 CA ARG A 439 2.464 -17.179 -7.443 1.00 0.51 C ATOM 916 C ARG A 439 2.292 -18.626 -6.976 1.00 0.54 C ATOM 917 O ARG A 439 2.748 -19.555 -7.611 1.00 0.61 O ATOM 918 CB ARG A 439 3.463 -16.437 -6.553 1.00 0.52 C ATOM 919 CG ARG A 439 4.875 -16.605 -7.118 1.00 0.77 C ATOM 920 CD ARG A 439 5.773 -15.485 -6.588 1.00 1.28 C ATOM 921 NE ARG A 439 7.088 -16.136 -6.335 1.00 1.74 N ATOM 922 CZ ARG A 439 8.155 -15.714 -6.958 1.00 2.28 C ATOM 923 NH1 ARG A 439 8.089 -15.393 -8.221 1.00 2.89 N ATOM 924 NH2 ARG A 439 9.288 -15.615 -6.319 1.00 2.82 N ATOM 0 H ARG A 439 1.239 -15.561 -6.774 1.00 0.43 H new ATOM 0 HA ARG A 439 2.799 -17.209 -8.480 1.00 0.51 H new ATOM 0 HB2 ARG A 439 3.204 -15.379 -6.501 1.00 0.52 H new ATOM 0 HB3 ARG A 439 3.418 -16.826 -5.536 1.00 0.52 H new ATOM 0 HG2 ARG A 439 5.279 -17.576 -6.832 1.00 0.77 H new ATOM 0 HG3 ARG A 439 4.848 -16.579 -8.207 1.00 0.77 H new ATOM 0 HD2 ARG A 439 5.865 -14.676 -7.313 1.00 1.28 H new ATOM 0 HD3 ARG A 439 5.365 -15.050 -5.675 1.00 1.28 H new ATOM 0 HE ARG A 439 7.155 -16.911 -5.675 1.00 1.74 H new ATOM 0 HH11 ARG A 439 7.204 -15.472 -8.722 1.00 2.89 H new ATOM 0 HH12 ARG A 439 8.923 -15.063 -8.708 1.00 2.89 H new ATOM 0 HH21 ARG A 439 9.341 -15.867 -5.332 1.00 2.82 H new ATOM 0 HH22 ARG A 439 10.121 -15.285 -6.806 1.00 2.82 H new ATOM 938 N HIS A 440 1.610 -18.819 -5.880 1.00 0.52 N ATOM 939 CA HIS A 440 1.377 -20.202 -5.385 1.00 0.57 C ATOM 940 C HIS A 440 0.654 -20.999 -6.473 1.00 0.58 C ATOM 941 O HIS A 440 0.796 -22.200 -6.586 1.00 0.64 O ATOM 942 CB HIS A 440 0.489 -20.032 -4.149 1.00 0.56 C ATOM 943 CG HIS A 440 0.188 -21.382 -3.558 1.00 0.63 C ATOM 944 ND1 HIS A 440 -0.979 -22.093 -3.440 1.00 1.04 N flip ATOM 945 CD2 HIS A 440 1.173 -22.174 -2.988 1.00 0.82 C flip ATOM 946 CE1 HIS A 440 -0.728 -23.307 -2.808 1.00 0.96 C flip ATOM 947 NE2 HIS A 440 0.585 -23.304 -2.558 1.00 0.75 N flip ATOM 0 H HIS A 440 1.205 -18.078 -5.308 1.00 0.52 H new ATOM 0 HA HIS A 440 2.296 -20.736 -5.142 1.00 0.57 H new ATOM 0 HB2 HIS A 440 0.990 -19.404 -3.412 1.00 0.56 H new ATOM 0 HB3 HIS A 440 -0.438 -19.527 -4.421 1.00 0.56 H new ATOM 0 HD2 HIS A 440 2.221 -21.928 -2.905 1.00 0.82 H new ATOM 0 HE1 HIS A 440 -1.440 -24.084 -2.571 1.00 0.96 H new ATOM 0 HE2 HIS A 440 1.081 -24.067 -2.097 1.00 0.75 H new ATOM 955 N THR A 441 -0.108 -20.319 -7.288 1.00 0.54 N ATOM 956 CA THR A 441 -0.840 -20.999 -8.394 1.00 0.55 C ATOM 957 C THR A 441 -0.640 -20.203 -9.687 1.00 0.56 C ATOM 958 O THR A 441 -1.587 -19.840 -10.357 1.00 0.55 O ATOM 959 CB THR A 441 -2.314 -20.982 -7.977 1.00 0.53 C ATOM 960 OG1 THR A 441 -2.787 -19.641 -7.979 1.00 0.48 O ATOM 961 CG2 THR A 441 -2.466 -21.573 -6.574 1.00 0.54 C ATOM 0 H THR A 441 -0.255 -19.311 -7.233 1.00 0.54 H new ATOM 0 HA THR A 441 -0.489 -22.016 -8.569 1.00 0.55 H new ATOM 0 HB THR A 441 -2.894 -21.579 -8.681 1.00 0.53 H new ATOM 0 HG1 THR A 441 -2.907 -19.338 -8.903 1.00 0.48 H new ATOM 0 HG21 THR A 441 -3.517 -21.557 -6.285 1.00 0.54 H new ATOM 0 HG22 THR A 441 -2.104 -22.601 -6.571 1.00 0.54 H new ATOM 0 HG23 THR A 441 -1.886 -20.982 -5.865 1.00 0.54 H new ATOM 969 N GLN A 442 0.593 -19.911 -10.023 1.00 0.59 N ATOM 970 CA GLN A 442 0.891 -19.117 -11.255 1.00 0.62 C ATOM 971 C GLN A 442 0.022 -19.559 -12.438 1.00 0.64 C ATOM 972 O GLN A 442 0.018 -20.712 -12.824 1.00 0.69 O ATOM 973 CB GLN A 442 2.367 -19.391 -11.547 1.00 0.69 C ATOM 974 CG GLN A 442 2.566 -20.885 -11.812 1.00 1.43 C ATOM 975 CD GLN A 442 3.800 -21.379 -11.054 1.00 1.79 C ATOM 976 OE1 GLN A 442 4.190 -20.797 -10.060 1.00 2.16 O ATOM 977 NE2 GLN A 442 4.436 -22.433 -11.485 1.00 2.47 N ATOM 0 H GLN A 442 1.415 -20.193 -9.489 1.00 0.59 H new ATOM 0 HA GLN A 442 0.680 -18.058 -11.108 1.00 0.62 H new ATOM 0 HB2 GLN A 442 2.691 -18.811 -12.411 1.00 0.69 H new ATOM 0 HB3 GLN A 442 2.980 -19.076 -10.703 1.00 0.69 H new ATOM 0 HG2 GLN A 442 1.684 -21.442 -11.495 1.00 1.43 H new ATOM 0 HG3 GLN A 442 2.688 -21.062 -12.881 1.00 1.43 H new ATOM 0 HE21 GLN A 442 4.108 -22.921 -12.319 1.00 2.47 H new ATOM 0 HE22 GLN A 442 5.261 -22.769 -10.988 1.00 2.47 H new ATOM 986 N GLY A 443 -0.708 -18.644 -13.016 1.00 0.63 N ATOM 987 CA GLY A 443 -1.575 -18.998 -14.176 1.00 0.66 C ATOM 988 C GLY A 443 -2.974 -19.365 -13.681 1.00 0.64 C ATOM 989 O GLY A 443 -3.968 -19.003 -14.279 1.00 0.66 O ATOM 0 H GLY A 443 -0.741 -17.664 -12.734 1.00 0.63 H new ATOM 0 HA2 GLY A 443 -1.633 -18.158 -14.869 1.00 0.66 H new ATOM 0 HA3 GLY A 443 -1.142 -19.835 -14.724 1.00 0.66 H new ATOM 993 N HIS A 444 -3.064 -20.082 -12.595 1.00 0.62 N ATOM 994 CA HIS A 444 -4.403 -20.470 -12.070 1.00 0.62 C ATOM 995 C HIS A 444 -5.253 -19.223 -11.812 1.00 0.67 C ATOM 996 O HIS A 444 -6.359 -19.106 -12.300 1.00 1.34 O ATOM 997 CB HIS A 444 -4.117 -21.204 -10.759 1.00 0.63 C ATOM 998 CG HIS A 444 -4.890 -22.494 -10.726 1.00 0.95 C ATOM 999 ND1 HIS A 444 -6.112 -22.845 -11.245 1.00 1.52 N flip ATOM 1000 CD2 HIS A 444 -4.407 -23.629 -10.092 1.00 1.62 C flip ATOM 1001 CE1 HIS A 444 -6.385 -24.175 -10.940 1.00 1.77 C flip ATOM 1002 NE2 HIS A 444 -5.326 -24.600 -10.245 1.00 1.86 N flip ATOM 0 H HIS A 444 -2.269 -20.416 -12.049 1.00 0.62 H new ATOM 0 HA HIS A 444 -4.957 -21.092 -12.773 1.00 0.62 H new ATOM 0 HB2 HIS A 444 -3.050 -21.405 -10.668 1.00 0.63 H new ATOM 0 HB3 HIS A 444 -4.397 -20.578 -9.911 1.00 0.63 H new ATOM 0 HD2 HIS A 444 -3.465 -23.717 -9.571 1.00 1.62 H new ATOM 0 HE1 HIS A 444 -7.264 -24.742 -11.208 1.00 1.77 H new ATOM 0 HE2 HIS A 444 -5.226 -25.545 -9.875 1.00 1.86 H new ATOM 1010 N LYS A 445 -4.740 -18.287 -11.050 1.00 0.62 N ATOM 1011 CA LYS A 445 -5.509 -17.036 -10.747 1.00 0.51 C ATOM 1012 C LYS A 445 -6.752 -17.364 -9.911 1.00 0.51 C ATOM 1013 O LYS A 445 -6.842 -17.007 -8.754 1.00 0.57 O ATOM 1014 CB LYS A 445 -5.910 -16.446 -12.105 1.00 0.62 C ATOM 1015 CG LYS A 445 -5.537 -14.963 -12.142 1.00 1.31 C ATOM 1016 CD LYS A 445 -5.843 -14.391 -13.528 1.00 1.56 C ATOM 1017 CE LYS A 445 -6.312 -12.941 -13.389 1.00 2.23 C ATOM 1018 NZ LYS A 445 -6.619 -12.501 -14.778 1.00 2.52 N ATOM 0 H LYS A 445 -3.816 -18.335 -10.622 1.00 0.62 H new ATOM 0 HA LYS A 445 -4.913 -16.329 -10.169 1.00 0.51 H new ATOM 0 HB2 LYS A 445 -5.405 -16.980 -12.910 1.00 0.62 H new ATOM 0 HB3 LYS A 445 -6.981 -16.567 -12.265 1.00 0.62 H new ATOM 0 HG2 LYS A 445 -6.096 -14.418 -11.381 1.00 1.31 H new ATOM 0 HG3 LYS A 445 -4.479 -14.838 -11.911 1.00 1.31 H new ATOM 0 HD2 LYS A 445 -4.954 -14.438 -14.157 1.00 1.56 H new ATOM 0 HD3 LYS A 445 -6.612 -14.988 -14.018 1.00 1.56 H new ATOM 0 HE2 LYS A 445 -7.191 -12.870 -12.749 1.00 2.23 H new ATOM 0 HE3 LYS A 445 -5.539 -12.318 -12.939 1.00 2.23 H new ATOM 0 HZ1 LYS A 445 -6.948 -11.514 -14.765 1.00 2.52 H new ATOM 0 HZ2 LYS A 445 -5.762 -12.573 -15.362 1.00 2.52 H new ATOM 0 HZ3 LYS A 445 -7.363 -13.108 -15.178 1.00 2.52 H new ATOM 1032 N GLN A 446 -7.710 -18.043 -10.485 1.00 0.53 N ATOM 1033 CA GLN A 446 -8.941 -18.392 -9.717 1.00 0.56 C ATOM 1034 C GLN A 446 -8.566 -19.058 -8.389 1.00 0.52 C ATOM 1035 O GLN A 446 -9.163 -18.800 -7.364 1.00 0.51 O ATOM 1036 CB GLN A 446 -9.703 -19.371 -10.612 1.00 0.64 C ATOM 1037 CG GLN A 446 -11.093 -19.623 -10.025 1.00 1.11 C ATOM 1038 CD GLN A 446 -11.701 -20.871 -10.668 1.00 1.79 C ATOM 1039 OE1 GLN A 446 -12.356 -20.786 -11.688 1.00 2.45 O ATOM 1040 NE2 GLN A 446 -11.511 -22.036 -10.111 1.00 2.40 N ATOM 0 H GLN A 446 -7.693 -18.370 -11.451 1.00 0.53 H new ATOM 0 HA GLN A 446 -9.538 -17.513 -9.473 1.00 0.56 H new ATOM 0 HB2 GLN A 446 -9.790 -18.966 -11.620 1.00 0.64 H new ATOM 0 HB3 GLN A 446 -9.155 -20.310 -10.692 1.00 0.64 H new ATOM 0 HG2 GLN A 446 -11.025 -19.754 -8.945 1.00 1.11 H new ATOM 0 HG3 GLN A 446 -11.736 -18.760 -10.201 1.00 1.11 H new ATOM 0 HE21 GLN A 446 -10.961 -22.108 -9.255 1.00 2.40 H new ATOM 0 HE22 GLN A 446 -11.912 -22.874 -10.532 1.00 2.40 H new ATOM 1049 N GLU A 447 -7.574 -19.908 -8.399 1.00 0.52 N ATOM 1050 CA GLU A 447 -7.162 -20.580 -7.134 1.00 0.51 C ATOM 1051 C GLU A 447 -6.848 -19.530 -6.067 1.00 0.45 C ATOM 1052 O GLU A 447 -7.159 -19.701 -4.904 1.00 0.45 O ATOM 1053 CB GLU A 447 -5.902 -21.369 -7.498 1.00 0.53 C ATOM 1054 CG GLU A 447 -5.711 -22.514 -6.501 1.00 0.80 C ATOM 1055 CD GLU A 447 -6.777 -23.584 -6.741 1.00 1.32 C ATOM 1056 OE1 GLU A 447 -6.730 -24.216 -7.784 1.00 1.96 O ATOM 1057 OE2 GLU A 447 -7.623 -23.753 -5.877 1.00 2.14 O ATOM 0 H GLU A 447 -7.034 -20.165 -9.225 1.00 0.52 H new ATOM 0 HA GLU A 447 -7.942 -21.225 -6.730 1.00 0.51 H new ATOM 0 HB2 GLU A 447 -5.987 -21.764 -8.510 1.00 0.53 H new ATOM 0 HB3 GLU A 447 -5.032 -20.712 -7.485 1.00 0.53 H new ATOM 0 HG2 GLU A 447 -4.716 -22.945 -6.613 1.00 0.80 H new ATOM 0 HG3 GLU A 447 -5.782 -22.137 -5.481 1.00 0.80 H new ATOM 1064 N ALA A 448 -6.241 -18.443 -6.454 1.00 0.42 N ATOM 1065 CA ALA A 448 -5.913 -17.379 -5.462 1.00 0.39 C ATOM 1066 C ALA A 448 -7.183 -16.939 -4.729 1.00 0.40 C ATOM 1067 O ALA A 448 -7.128 -16.403 -3.639 1.00 0.40 O ATOM 1068 CB ALA A 448 -5.344 -16.226 -6.290 1.00 0.39 C ATOM 0 H ALA A 448 -5.958 -18.245 -7.414 1.00 0.42 H new ATOM 0 HA ALA A 448 -5.208 -17.720 -4.704 1.00 0.39 H new ATOM 0 HB1 ALA A 448 -5.077 -15.401 -5.630 1.00 0.39 H new ATOM 0 HB2 ALA A 448 -4.456 -16.565 -6.824 1.00 0.39 H new ATOM 0 HB3 ALA A 448 -6.092 -15.889 -7.007 1.00 0.39 H new ATOM 1074 N ALA A 449 -8.328 -17.162 -5.318 1.00 0.44 N ATOM 1075 CA ALA A 449 -9.601 -16.756 -4.654 1.00 0.47 C ATOM 1076 C ALA A 449 -9.657 -17.325 -3.233 1.00 0.48 C ATOM 1077 O ALA A 449 -9.734 -16.597 -2.264 1.00 0.49 O ATOM 1078 CB ALA A 449 -10.710 -17.368 -5.511 1.00 0.52 C ATOM 0 H ALA A 449 -8.437 -17.607 -6.229 1.00 0.44 H new ATOM 0 HA ALA A 449 -9.696 -15.673 -4.573 1.00 0.47 H new ATOM 0 HB1 ALA A 449 -11.681 -17.113 -5.086 1.00 0.52 H new ATOM 0 HB2 ALA A 449 -10.644 -16.976 -6.526 1.00 0.52 H new ATOM 0 HB3 ALA A 449 -10.597 -18.452 -5.533 1.00 0.52 H new ATOM 1084 N ARG A 450 -9.620 -18.623 -3.108 1.00 0.49 N ATOM 1085 CA ARG A 450 -9.672 -19.248 -1.756 1.00 0.52 C ATOM 1086 C ARG A 450 -8.436 -18.856 -0.943 1.00 0.49 C ATOM 1087 O ARG A 450 -8.519 -18.577 0.237 1.00 0.50 O ATOM 1088 CB ARG A 450 -9.683 -20.754 -2.022 1.00 0.56 C ATOM 1089 CG ARG A 450 -10.261 -21.484 -0.809 1.00 0.78 C ATOM 1090 CD ARG A 450 -9.799 -22.942 -0.820 1.00 1.37 C ATOM 1091 NE ARG A 450 -10.935 -23.702 -1.410 1.00 1.77 N ATOM 1092 CZ ARG A 450 -11.305 -24.837 -0.885 1.00 2.35 C ATOM 1093 NH1 ARG A 450 -12.095 -24.849 0.155 1.00 2.97 N ATOM 1094 NH2 ARG A 450 -10.885 -25.961 -1.397 1.00 2.93 N ATOM 0 H ARG A 450 -9.556 -19.280 -3.886 1.00 0.49 H new ATOM 0 HA ARG A 450 -10.542 -18.926 -1.183 1.00 0.52 H new ATOM 0 HB2 ARG A 450 -10.278 -20.973 -2.909 1.00 0.56 H new ATOM 0 HB3 ARG A 450 -8.671 -21.106 -2.223 1.00 0.56 H new ATOM 0 HG2 ARG A 450 -9.937 -20.996 0.110 1.00 0.78 H new ATOM 0 HG3 ARG A 450 -11.350 -21.437 -0.828 1.00 0.78 H new ATOM 0 HD2 ARG A 450 -8.892 -23.064 -1.413 1.00 1.37 H new ATOM 0 HD3 ARG A 450 -9.571 -23.291 0.187 1.00 1.37 H new ATOM 0 HE ARG A 450 -11.425 -23.335 -2.226 1.00 1.77 H new ATOM 0 HH11 ARG A 450 -12.423 -23.971 0.557 1.00 2.97 H new ATOM 0 HH12 ARG A 450 -12.384 -25.737 0.565 1.00 2.97 H new ATOM 0 HH21 ARG A 450 -10.267 -25.952 -2.208 1.00 2.93 H new ATOM 0 HH22 ARG A 450 -11.175 -26.848 -0.986 1.00 2.93 H new ATOM 1108 N LEU A 451 -7.288 -18.837 -1.564 1.00 0.47 N ATOM 1109 CA LEU A 451 -6.046 -18.468 -0.826 1.00 0.47 C ATOM 1110 C LEU A 451 -6.212 -17.102 -0.154 1.00 0.44 C ATOM 1111 O LEU A 451 -5.634 -16.837 0.883 1.00 0.48 O ATOM 1112 CB LEU A 451 -4.955 -18.408 -1.897 1.00 0.46 C ATOM 1113 CG LEU A 451 -4.232 -19.753 -1.964 1.00 0.53 C ATOM 1114 CD1 LEU A 451 -4.075 -20.178 -3.425 1.00 0.92 C ATOM 1115 CD2 LEU A 451 -2.848 -19.622 -1.323 1.00 1.04 C ATOM 0 H LEU A 451 -7.156 -19.061 -2.550 1.00 0.47 H new ATOM 0 HA LEU A 451 -5.808 -19.181 -0.037 1.00 0.47 H new ATOM 0 HB2 LEU A 451 -5.394 -18.171 -2.866 1.00 0.46 H new ATOM 0 HB3 LEU A 451 -4.246 -17.613 -1.665 1.00 0.46 H new ATOM 0 HG LEU A 451 -4.814 -20.502 -1.427 1.00 0.53 H new ATOM 0 HD11 LEU A 451 -3.559 -21.137 -3.472 1.00 0.92 H new ATOM 0 HD12 LEU A 451 -5.059 -20.272 -3.884 1.00 0.92 H new ATOM 0 HD13 LEU A 451 -3.495 -19.428 -3.962 1.00 0.92 H new ATOM 0 HD21 LEU A 451 -2.333 -20.581 -1.371 1.00 1.04 H new ATOM 0 HD22 LEU A 451 -2.268 -18.871 -1.860 1.00 1.04 H new ATOM 0 HD23 LEU A 451 -2.957 -19.320 -0.281 1.00 1.04 H new ATOM 1127 N LEU A 452 -6.993 -16.232 -0.734 1.00 0.42 N ATOM 1128 CA LEU A 452 -7.190 -14.885 -0.124 1.00 0.41 C ATOM 1129 C LEU A 452 -8.592 -14.766 0.483 1.00 0.46 C ATOM 1130 O LEU A 452 -9.041 -13.688 0.819 1.00 0.51 O ATOM 1131 CB LEU A 452 -7.028 -13.898 -1.282 1.00 0.37 C ATOM 1132 CG LEU A 452 -5.659 -14.087 -1.937 1.00 0.35 C ATOM 1133 CD1 LEU A 452 -5.762 -13.780 -3.433 1.00 0.31 C ATOM 1134 CD2 LEU A 452 -4.649 -13.134 -1.293 1.00 0.43 C ATOM 0 H LEU A 452 -7.503 -16.395 -1.602 1.00 0.42 H new ATOM 0 HA LEU A 452 -6.481 -14.696 0.682 1.00 0.41 H new ATOM 0 HB2 LEU A 452 -7.818 -14.053 -2.017 1.00 0.37 H new ATOM 0 HB3 LEU A 452 -7.129 -12.876 -0.917 1.00 0.37 H new ATOM 0 HG LEU A 452 -5.330 -15.117 -1.797 1.00 0.35 H new ATOM 0 HD11 LEU A 452 -4.786 -13.915 -3.900 1.00 0.31 H new ATOM 0 HD12 LEU A 452 -6.482 -14.456 -3.894 1.00 0.31 H new ATOM 0 HD13 LEU A 452 -6.091 -12.750 -3.571 1.00 0.31 H new ATOM 0 HD21 LEU A 452 -3.673 -13.268 -1.760 1.00 0.43 H new ATOM 0 HD22 LEU A 452 -4.979 -12.105 -1.433 1.00 0.43 H new ATOM 0 HD23 LEU A 452 -4.574 -13.349 -0.227 1.00 0.43 H new ATOM 1146 N GLY A 453 -9.293 -15.861 0.627 1.00 0.50 N ATOM 1147 CA GLY A 453 -10.665 -15.794 1.210 1.00 0.56 C ATOM 1148 C GLY A 453 -11.506 -14.794 0.417 1.00 0.58 C ATOM 1149 O GLY A 453 -12.232 -13.995 0.974 1.00 0.68 O ATOM 0 H GLY A 453 -8.976 -16.795 0.367 1.00 0.50 H new ATOM 0 HA2 GLY A 453 -11.131 -16.779 1.184 1.00 0.56 H new ATOM 0 HA3 GLY A 453 -10.613 -15.493 2.256 1.00 0.56 H new ATOM 1153 N TRP A 454 -11.404 -14.829 -0.881 1.00 0.54 N ATOM 1154 CA TRP A 454 -12.188 -13.879 -1.722 1.00 0.60 C ATOM 1155 C TRP A 454 -13.294 -14.621 -2.479 1.00 0.68 C ATOM 1156 O TRP A 454 -14.465 -14.472 -2.193 1.00 1.16 O ATOM 1157 CB TRP A 454 -11.169 -13.298 -2.707 1.00 0.53 C ATOM 1158 CG TRP A 454 -10.485 -12.107 -2.106 1.00 0.53 C ATOM 1159 CD1 TRP A 454 -10.344 -11.867 -0.777 1.00 0.58 C ATOM 1160 CD2 TRP A 454 -9.839 -10.994 -2.792 1.00 0.50 C ATOM 1161 NE1 TRP A 454 -9.659 -10.677 -0.604 1.00 0.58 N ATOM 1162 CE2 TRP A 454 -9.324 -10.098 -1.811 1.00 0.52 C ATOM 1163 CE3 TRP A 454 -9.651 -10.673 -4.161 1.00 0.51 C ATOM 1164 CZ2 TRP A 454 -8.643 -8.922 -2.176 1.00 0.52 C ATOM 1165 CZ3 TRP A 454 -8.968 -9.490 -4.533 1.00 0.53 C ATOM 1166 CH2 TRP A 454 -8.464 -8.617 -3.541 1.00 0.52 C ATOM 0 H TRP A 454 -10.810 -15.476 -1.399 1.00 0.54 H new ATOM 0 HA TRP A 454 -12.676 -13.108 -1.126 1.00 0.60 H new ATOM 0 HB2 TRP A 454 -10.431 -14.057 -2.967 1.00 0.53 H new ATOM 0 HB3 TRP A 454 -11.670 -13.010 -3.631 1.00 0.53 H new ATOM 0 HD1 TRP A 454 -10.708 -12.502 0.017 1.00 0.58 H new ATOM 0 HE1 TRP A 454 -9.430 -10.276 0.306 1.00 0.58 H new ATOM 0 HE3 TRP A 454 -10.031 -11.335 -4.924 1.00 0.51 H new ATOM 0 HZ2 TRP A 454 -8.260 -8.257 -1.416 1.00 0.52 H new ATOM 0 HZ3 TRP A 454 -8.831 -9.253 -5.578 1.00 0.53 H new ATOM 0 HH2 TRP A 454 -7.942 -7.717 -3.829 1.00 0.52 H new ATOM 1177 N GLY A 455 -12.927 -15.413 -3.449 1.00 0.72 N ATOM 1178 CA GLY A 455 -13.950 -16.159 -4.234 1.00 0.72 C ATOM 1179 C GLY A 455 -13.806 -15.796 -5.712 1.00 0.70 C ATOM 1180 O GLY A 455 -12.838 -15.184 -6.115 1.00 0.64 O ATOM 0 H GLY A 455 -11.961 -15.576 -3.732 1.00 0.72 H new ATOM 0 HA2 GLY A 455 -13.821 -17.233 -4.096 1.00 0.72 H new ATOM 0 HA3 GLY A 455 -14.951 -15.910 -3.881 1.00 0.72 H new ATOM 1184 N ALA A 456 -14.756 -16.162 -6.527 1.00 0.77 N ATOM 1185 CA ALA A 456 -14.660 -15.827 -7.977 1.00 0.77 C ATOM 1186 C ALA A 456 -15.321 -14.472 -8.251 1.00 0.82 C ATOM 1187 O ALA A 456 -15.029 -13.814 -9.229 1.00 0.83 O ATOM 1188 CB ALA A 456 -15.410 -16.948 -8.696 1.00 0.84 C ATOM 0 H ALA A 456 -15.593 -16.677 -6.254 1.00 0.77 H new ATOM 0 HA ALA A 456 -13.627 -15.750 -8.315 1.00 0.77 H new ATOM 0 HB1 ALA A 456 -15.384 -16.772 -9.771 1.00 0.84 H new ATOM 0 HB2 ALA A 456 -14.936 -17.904 -8.473 1.00 0.84 H new ATOM 0 HB3 ALA A 456 -16.446 -16.969 -8.357 1.00 0.84 H new ATOM 1194 N ALA A 457 -16.211 -14.052 -7.392 1.00 0.90 N ATOM 1195 CA ALA A 457 -16.890 -12.741 -7.602 1.00 0.97 C ATOM 1196 C ALA A 457 -15.954 -11.596 -7.206 1.00 0.89 C ATOM 1197 O ALA A 457 -15.882 -10.582 -7.871 1.00 0.91 O ATOM 1198 CB ALA A 457 -18.113 -12.776 -6.687 1.00 1.08 C ATOM 0 H ALA A 457 -16.497 -14.560 -6.555 1.00 0.90 H new ATOM 0 HA ALA A 457 -17.168 -12.580 -8.644 1.00 0.97 H new ATOM 0 HB1 ALA A 457 -18.667 -11.843 -6.785 1.00 1.08 H new ATOM 0 HB2 ALA A 457 -18.755 -13.610 -6.969 1.00 1.08 H new ATOM 0 HB3 ALA A 457 -17.791 -12.900 -5.653 1.00 1.08 H new ATOM 1204 N THR A 458 -15.234 -11.753 -6.129 1.00 0.84 N ATOM 1205 CA THR A 458 -14.302 -10.675 -5.691 1.00 0.77 C ATOM 1206 C THR A 458 -13.070 -10.644 -6.601 1.00 0.68 C ATOM 1207 O THR A 458 -12.759 -9.639 -7.208 1.00 0.67 O ATOM 1208 CB THR A 458 -13.905 -11.047 -4.262 1.00 0.76 C ATOM 1209 OG1 THR A 458 -15.075 -11.153 -3.461 1.00 0.85 O ATOM 1210 CG2 THR A 458 -12.987 -9.969 -3.687 1.00 0.72 C ATOM 0 H THR A 458 -15.251 -12.581 -5.533 1.00 0.84 H new ATOM 0 HA THR A 458 -14.760 -9.687 -5.740 1.00 0.77 H new ATOM 0 HB THR A 458 -13.379 -12.002 -4.268 1.00 0.76 H new ATOM 0 HG1 THR A 458 -14.824 -11.393 -2.545 1.00 0.85 H new ATOM 0 HG21 THR A 458 -12.705 -10.236 -2.668 1.00 0.72 H new ATOM 0 HG22 THR A 458 -12.091 -9.888 -4.302 1.00 0.72 H new ATOM 0 HG23 THR A 458 -13.509 -9.012 -3.680 1.00 0.72 H new ATOM 1218 N LEU A 459 -12.366 -11.741 -6.702 1.00 0.64 N ATOM 1219 CA LEU A 459 -11.156 -11.776 -7.575 1.00 0.57 C ATOM 1220 C LEU A 459 -11.495 -11.249 -8.972 1.00 0.60 C ATOM 1221 O LEU A 459 -10.673 -10.649 -9.635 1.00 0.58 O ATOM 1222 CB LEU A 459 -10.759 -13.252 -7.636 1.00 0.56 C ATOM 1223 CG LEU A 459 -9.304 -13.408 -7.188 1.00 0.47 C ATOM 1224 CD1 LEU A 459 -9.034 -14.867 -6.828 1.00 0.48 C ATOM 1225 CD2 LEU A 459 -8.371 -12.991 -8.322 1.00 0.46 C ATOM 0 H LEU A 459 -12.577 -12.614 -6.218 1.00 0.64 H new ATOM 0 HA LEU A 459 -10.349 -11.152 -7.191 1.00 0.57 H new ATOM 0 HB2 LEU A 459 -11.413 -13.842 -6.995 1.00 0.56 H new ATOM 0 HB3 LEU A 459 -10.881 -13.631 -8.651 1.00 0.56 H new ATOM 0 HG LEU A 459 -9.127 -12.776 -6.318 1.00 0.47 H new ATOM 0 HD11 LEU A 459 -7.998 -14.977 -6.509 1.00 0.48 H new ATOM 0 HD12 LEU A 459 -9.697 -15.171 -6.018 1.00 0.48 H new ATOM 0 HD13 LEU A 459 -9.214 -15.496 -7.700 1.00 0.48 H new ATOM 0 HD21 LEU A 459 -7.335 -13.103 -8.001 1.00 0.46 H new ATOM 0 HD22 LEU A 459 -8.551 -13.622 -9.192 1.00 0.46 H new ATOM 0 HD23 LEU A 459 -8.559 -11.950 -8.584 1.00 0.46 H new ATOM 1237 N THR A 460 -12.701 -11.464 -9.421 1.00 0.68 N ATOM 1238 CA THR A 460 -13.093 -10.969 -10.771 1.00 0.74 C ATOM 1239 C THR A 460 -13.540 -9.509 -10.682 1.00 0.76 C ATOM 1240 O THR A 460 -13.096 -8.665 -11.434 1.00 0.75 O ATOM 1241 CB THR A 460 -14.257 -11.864 -11.202 1.00 0.83 C ATOM 1242 OG1 THR A 460 -13.804 -13.207 -11.315 1.00 0.82 O ATOM 1243 CG2 THR A 460 -14.796 -11.390 -12.552 1.00 0.92 C ATOM 0 H THR A 460 -13.432 -11.961 -8.912 1.00 0.68 H new ATOM 0 HA THR A 460 -12.269 -11.008 -11.483 1.00 0.74 H new ATOM 0 HB THR A 460 -15.051 -11.810 -10.458 1.00 0.83 H new ATOM 0 HG1 THR A 460 -14.343 -13.784 -10.734 1.00 0.82 H new ATOM 0 HG21 THR A 460 -15.625 -12.029 -12.857 1.00 0.92 H new ATOM 0 HG22 THR A 460 -15.144 -10.361 -12.464 1.00 0.92 H new ATOM 0 HG23 THR A 460 -14.004 -11.442 -13.299 1.00 0.92 H new ATOM 1251 N ALA A 461 -14.415 -9.203 -9.762 1.00 0.81 N ATOM 1252 CA ALA A 461 -14.886 -7.796 -9.621 1.00 0.85 C ATOM 1253 C ALA A 461 -13.712 -6.892 -9.239 1.00 0.79 C ATOM 1254 O ALA A 461 -13.591 -5.780 -9.714 1.00 0.83 O ATOM 1255 CB ALA A 461 -15.923 -7.836 -8.499 1.00 0.92 C ATOM 0 H ALA A 461 -14.823 -9.866 -9.103 1.00 0.81 H new ATOM 0 HA ALA A 461 -15.307 -7.401 -10.546 1.00 0.85 H new ATOM 0 HB1 ALA A 461 -16.319 -6.834 -8.334 1.00 0.92 H new ATOM 0 HB2 ALA A 461 -16.736 -8.506 -8.779 1.00 0.92 H new ATOM 0 HB3 ALA A 461 -15.455 -8.197 -7.583 1.00 0.92 H new ATOM 1261 N LYS A 462 -12.845 -7.362 -8.385 1.00 0.72 N ATOM 1262 CA LYS A 462 -11.676 -6.532 -7.975 1.00 0.68 C ATOM 1263 C LYS A 462 -10.748 -6.310 -9.173 1.00 0.66 C ATOM 1264 O LYS A 462 -10.006 -5.351 -9.226 1.00 0.67 O ATOM 1265 CB LYS A 462 -10.969 -7.348 -6.892 1.00 0.66 C ATOM 1266 CG LYS A 462 -11.758 -7.256 -5.585 1.00 0.99 C ATOM 1267 CD LYS A 462 -11.070 -6.270 -4.640 1.00 0.91 C ATOM 1268 CE LYS A 462 -11.975 -5.998 -3.436 1.00 1.31 C ATOM 1269 NZ LYS A 462 -11.621 -4.621 -2.991 1.00 1.39 N ATOM 0 H LYS A 462 -12.895 -8.285 -7.953 1.00 0.72 H new ATOM 0 HA LYS A 462 -11.972 -5.548 -7.612 1.00 0.68 H new ATOM 0 HB2 LYS A 462 -10.883 -8.389 -7.204 1.00 0.66 H new ATOM 0 HB3 LYS A 462 -9.956 -6.975 -6.744 1.00 0.66 H new ATOM 0 HG2 LYS A 462 -12.779 -6.931 -5.786 1.00 0.99 H new ATOM 0 HG3 LYS A 462 -11.823 -8.239 -5.118 1.00 0.99 H new ATOM 0 HD2 LYS A 462 -10.115 -6.676 -4.306 1.00 0.91 H new ATOM 0 HD3 LYS A 462 -10.854 -5.339 -5.164 1.00 0.91 H new ATOM 0 HE2 LYS A 462 -13.028 -6.066 -3.710 1.00 1.31 H new ATOM 0 HE3 LYS A 462 -11.805 -6.725 -2.642 1.00 1.31 H new ATOM 0 HZ1 LYS A 462 -12.201 -4.362 -2.167 1.00 1.39 H new ATOM 0 HZ2 LYS A 462 -10.615 -4.588 -2.730 1.00 1.39 H new ATOM 0 HZ3 LYS A 462 -11.800 -3.949 -3.765 1.00 1.39 H new ATOM 1283 N LEU A 463 -10.786 -7.192 -10.135 1.00 0.65 N ATOM 1284 CA LEU A 463 -9.908 -7.031 -11.329 1.00 0.65 C ATOM 1285 C LEU A 463 -10.412 -5.876 -12.199 1.00 0.68 C ATOM 1286 O LEU A 463 -9.641 -5.093 -12.717 1.00 0.70 O ATOM 1287 CB LEU A 463 -10.017 -8.357 -12.082 1.00 0.68 C ATOM 1288 CG LEU A 463 -8.680 -8.675 -12.755 1.00 0.81 C ATOM 1289 CD1 LEU A 463 -8.227 -10.080 -12.354 1.00 0.99 C ATOM 1290 CD2 LEU A 463 -8.848 -8.610 -14.274 1.00 0.99 C ATOM 0 H LEU A 463 -11.387 -8.016 -10.146 1.00 0.65 H new ATOM 0 HA LEU A 463 -8.878 -6.801 -11.058 1.00 0.65 H new ATOM 0 HB2 LEU A 463 -10.289 -9.157 -11.393 1.00 0.68 H new ATOM 0 HB3 LEU A 463 -10.808 -8.298 -12.830 1.00 0.68 H new ATOM 0 HG LEU A 463 -7.932 -7.948 -12.438 1.00 0.81 H new ATOM 0 HD11 LEU A 463 -7.275 -10.306 -12.834 1.00 0.99 H new ATOM 0 HD12 LEU A 463 -8.109 -10.129 -11.272 1.00 0.99 H new ATOM 0 HD13 LEU A 463 -8.974 -10.807 -12.671 1.00 0.99 H new ATOM 0 HD21 LEU A 463 -7.897 -8.836 -14.755 1.00 0.99 H new ATOM 0 HD22 LEU A 463 -9.596 -9.338 -14.589 1.00 0.99 H new ATOM 0 HD23 LEU A 463 -9.171 -7.610 -14.562 1.00 0.99 H new ATOM 1302 N LYS A 464 -11.702 -5.766 -12.363 1.00 0.72 N ATOM 1303 CA LYS A 464 -12.257 -4.663 -13.200 1.00 0.77 C ATOM 1304 C LYS A 464 -12.538 -3.430 -12.335 1.00 0.76 C ATOM 1305 O LYS A 464 -12.600 -2.320 -12.823 1.00 0.82 O ATOM 1306 CB LYS A 464 -13.559 -5.222 -13.777 1.00 0.85 C ATOM 1307 CG LYS A 464 -13.371 -5.520 -15.266 1.00 1.20 C ATOM 1308 CD LYS A 464 -14.699 -5.318 -15.999 1.00 1.62 C ATOM 1309 CE LYS A 464 -14.495 -4.362 -17.176 1.00 2.25 C ATOM 1310 NZ LYS A 464 -14.811 -5.169 -18.386 1.00 2.66 N ATOM 0 H LYS A 464 -12.396 -6.392 -11.954 1.00 0.72 H new ATOM 0 HA LYS A 464 -11.565 -4.350 -13.982 1.00 0.77 H new ATOM 0 HB2 LYS A 464 -13.844 -6.131 -13.247 1.00 0.85 H new ATOM 0 HB3 LYS A 464 -14.368 -4.505 -13.638 1.00 0.85 H new ATOM 0 HG2 LYS A 464 -12.608 -4.864 -15.686 1.00 1.20 H new ATOM 0 HG3 LYS A 464 -13.021 -6.543 -15.402 1.00 1.20 H new ATOM 0 HD2 LYS A 464 -15.078 -6.275 -16.356 1.00 1.62 H new ATOM 0 HD3 LYS A 464 -15.446 -4.915 -15.315 1.00 1.62 H new ATOM 0 HE2 LYS A 464 -15.150 -3.494 -17.098 1.00 2.25 H new ATOM 0 HE3 LYS A 464 -13.472 -3.987 -17.207 1.00 2.25 H new ATOM 0 HZ1 LYS A 464 -14.694 -4.581 -19.236 1.00 2.66 H new ATOM 0 HZ2 LYS A 464 -14.167 -5.984 -18.437 1.00 2.66 H new ATOM 0 HZ3 LYS A 464 -15.793 -5.507 -18.331 1.00 2.66 H new ATOM 1324 N GLU A 465 -12.712 -3.617 -11.055 1.00 0.73 N ATOM 1325 CA GLU A 465 -12.992 -2.456 -10.162 1.00 0.76 C ATOM 1326 C GLU A 465 -11.853 -1.435 -10.249 1.00 0.69 C ATOM 1327 O GLU A 465 -12.054 -0.298 -10.628 1.00 0.85 O ATOM 1328 CB GLU A 465 -13.074 -3.047 -8.755 1.00 0.79 C ATOM 1329 CG GLU A 465 -14.490 -3.566 -8.501 1.00 1.12 C ATOM 1330 CD GLU A 465 -15.281 -2.527 -7.704 1.00 1.42 C ATOM 1331 OE1 GLU A 465 -15.131 -1.350 -7.990 1.00 1.95 O ATOM 1332 OE2 GLU A 465 -16.022 -2.925 -6.819 1.00 2.03 O ATOM 0 H GLU A 465 -12.672 -4.523 -10.589 1.00 0.73 H new ATOM 0 HA GLU A 465 -13.909 -1.935 -10.439 1.00 0.76 H new ATOM 0 HB2 GLU A 465 -12.353 -3.858 -8.647 1.00 0.79 H new ATOM 0 HB3 GLU A 465 -12.815 -2.290 -8.015 1.00 0.79 H new ATOM 0 HG2 GLU A 465 -14.989 -3.770 -9.448 1.00 1.12 H new ATOM 0 HG3 GLU A 465 -14.451 -4.507 -7.953 1.00 1.12 H new ATOM 1339 N LEU A 466 -10.660 -1.833 -9.902 1.00 0.56 N ATOM 1340 CA LEU A 466 -9.513 -0.886 -9.965 1.00 0.59 C ATOM 1341 C LEU A 466 -9.351 -0.348 -11.390 1.00 0.70 C ATOM 1342 O LEU A 466 -8.808 0.717 -11.604 1.00 0.81 O ATOM 1343 CB LEU A 466 -8.293 -1.715 -9.565 1.00 0.56 C ATOM 1344 CG LEU A 466 -8.464 -2.222 -8.132 1.00 0.54 C ATOM 1345 CD1 LEU A 466 -7.566 -3.441 -7.911 1.00 0.62 C ATOM 1346 CD2 LEU A 466 -8.067 -1.117 -7.150 1.00 0.52 C ATOM 0 H LEU A 466 -10.431 -2.773 -9.578 1.00 0.56 H new ATOM 0 HA LEU A 466 -9.652 -0.024 -9.313 1.00 0.59 H new ATOM 0 HB2 LEU A 466 -8.173 -2.557 -10.247 1.00 0.56 H new ATOM 0 HB3 LEU A 466 -7.389 -1.111 -9.642 1.00 0.56 H new ATOM 0 HG LEU A 466 -9.505 -2.501 -7.968 1.00 0.54 H new ATOM 0 HD11 LEU A 466 -7.688 -3.802 -6.890 1.00 0.62 H new ATOM 0 HD12 LEU A 466 -7.844 -4.229 -8.610 1.00 0.62 H new ATOM 0 HD13 LEU A 466 -6.525 -3.161 -8.075 1.00 0.62 H new ATOM 0 HD21 LEU A 466 -8.188 -1.477 -6.128 1.00 0.52 H new ATOM 0 HD22 LEU A 466 -7.026 -0.840 -7.316 1.00 0.52 H new ATOM 0 HD23 LEU A 466 -8.704 -0.246 -7.306 1.00 0.52 H new ATOM 1358 N GLY A 467 -9.819 -1.078 -12.363 1.00 0.77 N ATOM 1359 CA GLY A 467 -9.693 -0.611 -13.773 1.00 0.97 C ATOM 1360 C GLY A 467 -10.815 0.380 -14.086 1.00 1.08 C ATOM 1361 O GLY A 467 -10.643 1.306 -14.853 1.00 1.38 O ATOM 0 H GLY A 467 -10.284 -1.978 -12.244 1.00 0.77 H new ATOM 0 HA2 GLY A 467 -8.723 -0.138 -13.925 1.00 0.97 H new ATOM 0 HA3 GLY A 467 -9.743 -1.460 -14.454 1.00 0.97 H new ATOM 1723 N TRP B 402 6.289 -1.370 3.729 1.00 0.95 N ATOM 1724 CA TRP B 402 5.574 -2.493 4.417 1.00 0.86 C ATOM 1725 C TRP B 402 5.043 -3.500 3.383 1.00 0.79 C ATOM 1726 O TRP B 402 4.931 -4.681 3.648 1.00 0.71 O ATOM 1727 CB TRP B 402 4.432 -1.829 5.211 1.00 0.96 C ATOM 1728 CG TRP B 402 3.252 -1.533 4.328 1.00 0.84 C ATOM 1729 CD1 TRP B 402 2.979 -0.334 3.757 1.00 0.94 C ATOM 1730 CD2 TRP B 402 2.184 -2.433 3.916 1.00 0.76 C ATOM 1731 NE1 TRP B 402 1.810 -0.439 3.023 1.00 1.00 N ATOM 1732 CE2 TRP B 402 1.280 -1.710 3.085 1.00 0.83 C ATOM 1733 CE3 TRP B 402 1.909 -3.801 4.177 1.00 0.78 C ATOM 1734 CZ2 TRP B 402 0.141 -2.321 2.533 1.00 0.83 C ATOM 1735 CZ3 TRP B 402 0.763 -4.420 3.623 1.00 0.72 C ATOM 1736 CH2 TRP B 402 -0.119 -3.680 2.802 1.00 0.69 C ATOM 0 HA TRP B 402 6.229 -3.058 5.080 1.00 0.86 H new ATOM 0 HB2 TRP B 402 4.124 -2.484 6.026 1.00 0.96 H new ATOM 0 HB3 TRP B 402 4.791 -0.905 5.664 1.00 0.96 H new ATOM 0 HD1 TRP B 402 3.577 0.559 3.858 1.00 0.94 H new ATOM 0 HE1 TRP B 402 1.392 0.330 2.500 1.00 1.00 H new ATOM 0 HE3 TRP B 402 2.578 -4.373 4.802 1.00 0.78 H new ATOM 0 HZ2 TRP B 402 -0.531 -1.753 1.907 1.00 0.83 H new ATOM 0 HZ3 TRP B 402 0.562 -5.461 3.828 1.00 0.72 H new ATOM 0 HH2 TRP B 402 -0.992 -4.156 2.381 1.00 0.69 H new ATOM 1747 N ALA B 403 4.742 -3.039 2.195 1.00 0.85 N ATOM 1748 CA ALA B 403 4.254 -3.968 1.136 1.00 0.85 C ATOM 1749 C ALA B 403 5.264 -5.102 0.977 1.00 0.80 C ATOM 1750 O ALA B 403 4.912 -6.246 0.768 1.00 0.76 O ATOM 1751 CB ALA B 403 4.186 -3.122 -0.136 1.00 0.99 C ATOM 0 H ALA B 403 4.814 -2.061 1.915 1.00 0.85 H new ATOM 0 HA ALA B 403 3.286 -4.413 1.367 1.00 0.85 H new ATOM 0 HB1 ALA B 403 3.834 -3.737 -0.964 1.00 0.99 H new ATOM 0 HB2 ALA B 403 3.498 -2.290 0.016 1.00 0.99 H new ATOM 0 HB3 ALA B 403 5.178 -2.734 -0.369 1.00 0.99 H new ATOM 1757 N THR B 404 6.523 -4.785 1.107 1.00 0.82 N ATOM 1758 CA THR B 404 7.573 -5.832 1.000 1.00 0.81 C ATOM 1759 C THR B 404 7.350 -6.859 2.114 1.00 0.70 C ATOM 1760 O THR B 404 7.461 -8.054 1.911 1.00 0.69 O ATOM 1761 CB THR B 404 8.894 -5.071 1.188 1.00 0.89 C ATOM 1762 OG1 THR B 404 9.162 -4.310 0.019 1.00 1.07 O ATOM 1763 CG2 THR B 404 10.041 -6.056 1.426 1.00 0.89 C ATOM 0 H THR B 404 6.869 -3.842 1.283 1.00 0.82 H new ATOM 0 HA THR B 404 7.565 -6.375 0.055 1.00 0.81 H new ATOM 0 HB THR B 404 8.809 -4.411 2.052 1.00 0.89 H new ATOM 0 HG1 THR B 404 10.003 -3.820 0.133 1.00 1.07 H new ATOM 0 HG21 THR B 404 10.972 -5.505 1.558 1.00 0.89 H new ATOM 0 HG22 THR B 404 9.837 -6.643 2.321 1.00 0.89 H new ATOM 0 HG23 THR B 404 10.132 -6.723 0.568 1.00 0.89 H new ATOM 1771 N LEU B 405 7.008 -6.393 3.285 1.00 0.67 N ATOM 1772 CA LEU B 405 6.744 -7.324 4.416 1.00 0.61 C ATOM 1773 C LEU B 405 5.451 -8.091 4.132 1.00 0.53 C ATOM 1774 O LEU B 405 5.260 -9.201 4.582 1.00 0.52 O ATOM 1775 CB LEU B 405 6.601 -6.409 5.647 1.00 0.67 C ATOM 1776 CG LEU B 405 5.966 -7.144 6.848 1.00 0.64 C ATOM 1777 CD1 LEU B 405 4.445 -7.207 6.679 1.00 0.57 C ATOM 1778 CD2 LEU B 405 6.526 -8.568 6.979 1.00 0.64 C ATOM 0 H LEU B 405 6.900 -5.403 3.506 1.00 0.67 H new ATOM 0 HA LEU B 405 7.529 -8.065 4.567 1.00 0.61 H new ATOM 0 HB2 LEU B 405 7.582 -6.030 5.932 1.00 0.67 H new ATOM 0 HB3 LEU B 405 5.989 -5.545 5.387 1.00 0.67 H new ATOM 0 HG LEU B 405 6.211 -6.588 7.753 1.00 0.64 H new ATOM 0 HD11 LEU B 405 4.006 -7.727 7.530 1.00 0.57 H new ATOM 0 HD12 LEU B 405 4.043 -6.195 6.625 1.00 0.57 H new ATOM 0 HD13 LEU B 405 4.203 -7.744 5.762 1.00 0.57 H new ATOM 0 HD21 LEU B 405 6.063 -9.064 7.832 1.00 0.64 H new ATOM 0 HD22 LEU B 405 6.308 -9.130 6.071 1.00 0.64 H new ATOM 0 HD23 LEU B 405 7.605 -8.522 7.128 1.00 0.64 H new ATOM 1790 N LEU B 406 4.565 -7.501 3.376 1.00 0.53 N ATOM 1791 CA LEU B 406 3.286 -8.187 3.045 1.00 0.50 C ATOM 1792 C LEU B 406 3.558 -9.349 2.088 1.00 0.49 C ATOM 1793 O LEU B 406 2.980 -10.412 2.203 1.00 0.45 O ATOM 1794 CB LEU B 406 2.430 -7.114 2.368 1.00 0.57 C ATOM 1795 CG LEU B 406 1.049 -7.684 2.041 1.00 0.59 C ATOM 1796 CD1 LEU B 406 0.267 -7.906 3.335 1.00 0.94 C ATOM 1797 CD2 LEU B 406 0.290 -6.693 1.158 1.00 1.02 C ATOM 0 H LEU B 406 4.674 -6.570 2.973 1.00 0.53 H new ATOM 0 HA LEU B 406 2.791 -8.604 3.922 1.00 0.50 H new ATOM 0 HB2 LEU B 406 2.331 -6.248 3.023 1.00 0.57 H new ATOM 0 HB3 LEU B 406 2.917 -6.769 1.456 1.00 0.57 H new ATOM 0 HG LEU B 406 1.163 -8.633 1.517 1.00 0.59 H new ATOM 0 HD11 LEU B 406 -0.717 -8.312 3.100 1.00 0.94 H new ATOM 0 HD12 LEU B 406 0.807 -8.608 3.971 1.00 0.94 H new ATOM 0 HD13 LEU B 406 0.152 -6.957 3.858 1.00 0.94 H new ATOM 0 HD21 LEU B 406 -0.695 -7.096 0.923 1.00 1.02 H new ATOM 0 HD22 LEU B 406 0.178 -5.746 1.687 1.00 1.02 H new ATOM 0 HD23 LEU B 406 0.845 -6.529 0.234 1.00 1.02 H new ATOM 1809 N ALA B 407 4.445 -9.157 1.149 1.00 0.56 N ATOM 1810 CA ALA B 407 4.764 -10.253 0.191 1.00 0.59 C ATOM 1811 C ALA B 407 5.382 -11.432 0.946 1.00 0.57 C ATOM 1812 O ALA B 407 4.931 -12.555 0.838 1.00 0.61 O ATOM 1813 CB ALA B 407 5.774 -9.649 -0.784 1.00 0.70 C ATOM 0 H ALA B 407 4.962 -8.289 1.004 1.00 0.56 H new ATOM 0 HA ALA B 407 3.881 -10.627 -0.326 1.00 0.59 H new ATOM 0 HB1 ALA B 407 6.059 -10.398 -1.523 1.00 0.70 H new ATOM 0 HB2 ALA B 407 5.326 -8.793 -1.289 1.00 0.70 H new ATOM 0 HB3 ALA B 407 6.659 -9.325 -0.237 1.00 0.70 H new ATOM 1819 N GLN B 408 6.405 -11.183 1.719 1.00 0.57 N ATOM 1820 CA GLN B 408 7.041 -12.292 2.486 1.00 0.57 C ATOM 1821 C GLN B 408 6.069 -12.803 3.552 1.00 0.50 C ATOM 1822 O GLN B 408 6.029 -13.978 3.862 1.00 0.50 O ATOM 1823 CB GLN B 408 8.275 -11.667 3.139 1.00 0.62 C ATOM 1824 CG GLN B 408 9.422 -11.628 2.127 1.00 0.75 C ATOM 1825 CD GLN B 408 10.743 -11.929 2.840 1.00 0.78 C ATOM 1826 OE1 GLN B 408 11.562 -12.670 2.336 1.00 1.29 O ATOM 1827 NE2 GLN B 408 10.985 -11.380 3.998 1.00 1.46 N ATOM 0 H GLN B 408 6.826 -10.264 1.852 1.00 0.57 H new ATOM 0 HA GLN B 408 7.305 -13.140 1.855 1.00 0.57 H new ATOM 0 HB2 GLN B 408 8.046 -10.659 3.484 1.00 0.62 H new ATOM 0 HB3 GLN B 408 8.568 -12.245 4.015 1.00 0.62 H new ATOM 0 HG2 GLN B 408 9.249 -12.358 1.337 1.00 0.75 H new ATOM 0 HG3 GLN B 408 9.468 -10.648 1.651 1.00 0.75 H new ATOM 0 HE21 GLN B 408 10.297 -10.757 4.421 1.00 1.46 H new ATOM 0 HE22 GLN B 408 11.863 -11.573 4.481 1.00 1.46 H new ATOM 1836 N TRP B 409 5.277 -11.926 4.106 1.00 0.46 N ATOM 1837 CA TRP B 409 4.296 -12.350 5.145 1.00 0.43 C ATOM 1838 C TRP B 409 3.313 -13.360 4.542 1.00 0.40 C ATOM 1839 O TRP B 409 3.157 -14.460 5.036 1.00 0.41 O ATOM 1840 CB TRP B 409 3.585 -11.051 5.551 1.00 0.43 C ATOM 1841 CG TRP B 409 2.365 -11.353 6.365 1.00 0.42 C ATOM 1842 CD1 TRP B 409 2.368 -11.886 7.610 1.00 0.50 C ATOM 1843 CD2 TRP B 409 0.967 -11.147 6.009 1.00 0.40 C ATOM 1844 NE1 TRP B 409 1.059 -12.020 8.046 1.00 0.53 N ATOM 1845 CE2 TRP B 409 0.157 -11.581 7.098 1.00 0.47 C ATOM 1846 CE3 TRP B 409 0.324 -10.629 4.856 1.00 0.39 C ATOM 1847 CZ2 TRP B 409 -1.248 -11.504 7.045 1.00 0.50 C ATOM 1848 CZ3 TRP B 409 -1.088 -10.550 4.797 1.00 0.43 C ATOM 1849 CH2 TRP B 409 -1.872 -10.987 5.890 1.00 0.48 C ATOM 0 H TRP B 409 5.267 -10.931 3.883 1.00 0.46 H new ATOM 0 HA TRP B 409 4.759 -12.839 6.002 1.00 0.43 H new ATOM 0 HB2 TRP B 409 4.265 -10.421 6.124 1.00 0.43 H new ATOM 0 HB3 TRP B 409 3.305 -10.489 4.660 1.00 0.43 H new ATOM 0 HD1 TRP B 409 3.248 -12.162 8.172 1.00 0.50 H new ATOM 0 HE1 TRP B 409 0.795 -12.397 8.956 1.00 0.53 H new ATOM 0 HE3 TRP B 409 0.916 -10.293 4.017 1.00 0.39 H new ATOM 0 HZ2 TRP B 409 -1.843 -11.838 7.882 1.00 0.50 H new ATOM 0 HZ3 TRP B 409 -1.568 -10.155 3.914 1.00 0.43 H new ATOM 0 HH2 TRP B 409 -2.949 -10.925 5.841 1.00 0.48 H new ATOM 1860 N ALA B 410 2.652 -12.996 3.478 1.00 0.42 N ATOM 1861 CA ALA B 410 1.683 -13.935 2.843 1.00 0.44 C ATOM 1862 C ALA B 410 2.358 -15.282 2.569 1.00 0.45 C ATOM 1863 O ALA B 410 1.718 -16.313 2.528 1.00 0.47 O ATOM 1864 CB ALA B 410 1.278 -13.260 1.533 1.00 0.51 C ATOM 0 H ALA B 410 2.741 -12.089 3.020 1.00 0.42 H new ATOM 0 HA ALA B 410 0.821 -14.135 3.480 1.00 0.44 H new ATOM 0 HB1 ALA B 410 0.563 -13.891 1.004 1.00 0.51 H new ATOM 0 HB2 ALA B 410 0.820 -12.294 1.748 1.00 0.51 H new ATOM 0 HB3 ALA B 410 2.161 -13.113 0.911 1.00 0.51 H new ATOM 1870 N ASP B 411 3.650 -15.279 2.384 1.00 0.48 N ATOM 1871 CA ASP B 411 4.368 -16.558 2.118 1.00 0.53 C ATOM 1872 C ASP B 411 4.532 -17.346 3.420 1.00 0.53 C ATOM 1873 O ASP B 411 4.210 -18.514 3.494 1.00 0.58 O ATOM 1874 CB ASP B 411 5.732 -16.141 1.565 1.00 0.60 C ATOM 1875 CG ASP B 411 6.507 -17.385 1.129 1.00 1.03 C ATOM 1876 OD1 ASP B 411 5.870 -18.380 0.822 1.00 1.78 O ATOM 1877 OD2 ASP B 411 7.726 -17.323 1.108 1.00 1.51 O ATOM 0 H ASP B 411 4.239 -14.447 2.406 1.00 0.48 H new ATOM 0 HA ASP B 411 3.829 -17.200 1.422 1.00 0.53 H new ATOM 0 HB2 ASP B 411 5.602 -15.465 0.720 1.00 0.60 H new ATOM 0 HB3 ASP B 411 6.294 -15.597 2.325 1.00 0.60 H new ATOM 1882 N ARG B 412 5.028 -16.713 4.449 1.00 0.52 N ATOM 1883 CA ARG B 412 5.206 -17.427 5.745 1.00 0.56 C ATOM 1884 C ARG B 412 3.879 -18.047 6.183 1.00 0.55 C ATOM 1885 O ARG B 412 3.841 -19.101 6.786 1.00 0.63 O ATOM 1886 CB ARG B 412 5.652 -16.351 6.735 1.00 0.58 C ATOM 1887 CG ARG B 412 6.602 -16.967 7.766 1.00 0.96 C ATOM 1888 CD ARG B 412 7.852 -16.095 7.894 1.00 1.50 C ATOM 1889 NE ARG B 412 8.846 -16.708 6.969 1.00 1.90 N ATOM 1890 CZ ARG B 412 10.040 -16.193 6.859 1.00 2.41 C ATOM 1891 NH1 ARG B 412 10.912 -16.356 7.817 1.00 2.89 N ATOM 1892 NH2 ARG B 412 10.364 -15.516 5.792 1.00 3.02 N ATOM 0 H ARG B 412 5.317 -15.735 4.448 1.00 0.52 H new ATOM 0 HA ARG B 412 5.931 -18.238 5.678 1.00 0.56 H new ATOM 0 HB2 ARG B 412 6.150 -15.539 6.206 1.00 0.58 H new ATOM 0 HB3 ARG B 412 4.785 -15.921 7.236 1.00 0.58 H new ATOM 0 HG2 ARG B 412 6.103 -17.050 8.732 1.00 0.96 H new ATOM 0 HG3 ARG B 412 6.880 -17.977 7.463 1.00 0.96 H new ATOM 0 HD2 ARG B 412 7.642 -15.061 7.619 1.00 1.50 H new ATOM 0 HD3 ARG B 412 8.222 -16.083 8.919 1.00 1.50 H new ATOM 0 HE ARG B 412 8.593 -17.531 6.421 1.00 1.90 H new ATOM 0 HH11 ARG B 412 10.660 -16.886 8.651 1.00 2.89 H new ATOM 0 HH12 ARG B 412 11.845 -15.953 7.731 1.00 2.89 H new ATOM 0 HH21 ARG B 412 9.684 -15.389 5.043 1.00 3.02 H new ATOM 0 HH22 ARG B 412 11.298 -15.114 5.707 1.00 3.02 H new ATOM 1906 N ALA B 413 2.789 -17.402 5.876 1.00 0.50 N ATOM 1907 CA ALA B 413 1.460 -17.952 6.266 1.00 0.53 C ATOM 1908 C ALA B 413 1.088 -19.116 5.344 1.00 0.57 C ATOM 1909 O ALA B 413 0.490 -20.087 5.763 1.00 0.66 O ATOM 1910 CB ALA B 413 0.482 -16.790 6.087 1.00 0.53 C ATOM 0 H ALA B 413 2.760 -16.516 5.371 1.00 0.50 H new ATOM 0 HA ALA B 413 1.450 -18.335 7.286 1.00 0.53 H new ATOM 0 HB1 ALA B 413 -0.523 -17.116 6.355 1.00 0.53 H new ATOM 0 HB2 ALA B 413 0.779 -15.962 6.731 1.00 0.53 H new ATOM 0 HB3 ALA B 413 0.492 -16.463 5.047 1.00 0.53 H new ATOM 1916 N LEU B 414 1.444 -19.027 4.091 1.00 0.54 N ATOM 1917 CA LEU B 414 1.118 -20.129 3.141 1.00 0.62 C ATOM 1918 C LEU B 414 1.756 -21.436 3.617 1.00 0.71 C ATOM 1919 O LEU B 414 1.172 -22.497 3.516 1.00 0.82 O ATOM 1920 CB LEU B 414 1.723 -19.692 1.807 1.00 0.63 C ATOM 1921 CG LEU B 414 0.677 -19.831 0.699 1.00 0.71 C ATOM 1922 CD1 LEU B 414 -0.375 -18.730 0.847 1.00 1.11 C ATOM 1923 CD2 LEU B 414 1.361 -19.701 -0.665 1.00 1.03 C ATOM 0 H LEU B 414 1.947 -18.238 3.684 1.00 0.54 H new ATOM 0 HA LEU B 414 0.045 -20.307 3.063 1.00 0.62 H new ATOM 0 HB2 LEU B 414 2.064 -18.659 1.872 1.00 0.63 H new ATOM 0 HB3 LEU B 414 2.596 -20.302 1.575 1.00 0.63 H new ATOM 0 HG LEU B 414 0.195 -20.806 0.775 1.00 0.71 H new ATOM 0 HD11 LEU B 414 -1.120 -18.830 0.057 1.00 1.11 H new ATOM 0 HD12 LEU B 414 -0.862 -18.820 1.818 1.00 1.11 H new ATOM 0 HD13 LEU B 414 0.106 -17.755 0.771 1.00 1.11 H new ATOM 0 HD21 LEU B 414 0.617 -19.800 -1.456 1.00 1.03 H new ATOM 0 HD22 LEU B 414 1.842 -18.726 -0.739 1.00 1.03 H new ATOM 0 HD23 LEU B 414 2.111 -20.485 -0.772 1.00 1.03 H new ATOM 1935 N ARG B 415 2.951 -21.368 4.135 1.00 0.73 N ATOM 1936 CA ARG B 415 3.629 -22.605 4.620 1.00 0.87 C ATOM 1937 C ARG B 415 3.009 -23.079 5.941 1.00 0.93 C ATOM 1938 O ARG B 415 3.342 -24.133 6.446 1.00 1.26 O ATOM 1939 CB ARG B 415 5.088 -22.196 4.831 1.00 1.02 C ATOM 1940 CG ARG B 415 5.953 -23.448 4.992 1.00 1.40 C ATOM 1941 CD ARG B 415 7.408 -23.109 4.660 1.00 1.61 C ATOM 1942 NE ARG B 415 8.118 -24.419 4.658 1.00 2.27 N ATOM 1943 CZ ARG B 415 8.671 -24.862 5.754 1.00 2.92 C ATOM 1944 NH1 ARG B 415 9.830 -24.398 6.133 1.00 3.32 N ATOM 1945 NH2 ARG B 415 8.065 -25.769 6.470 1.00 3.70 N ATOM 0 H ARG B 415 3.489 -20.508 4.244 1.00 0.73 H new ATOM 0 HA ARG B 415 3.529 -23.430 3.914 1.00 0.87 H new ATOM 0 HB2 ARG B 415 5.437 -21.607 3.983 1.00 1.02 H new ATOM 0 HB3 ARG B 415 5.175 -21.565 5.715 1.00 1.02 H new ATOM 0 HG2 ARG B 415 5.880 -23.825 6.012 1.00 1.40 H new ATOM 0 HG3 ARG B 415 5.593 -24.239 4.334 1.00 1.40 H new ATOM 0 HD2 ARG B 415 7.487 -22.616 3.691 1.00 1.61 H new ATOM 0 HD3 ARG B 415 7.834 -22.430 5.399 1.00 1.61 H new ATOM 0 HE ARG B 415 8.172 -24.969 3.801 1.00 2.27 H new ATOM 0 HH11 ARG B 415 10.304 -23.689 5.573 1.00 3.32 H new ATOM 0 HH12 ARG B 415 10.263 -24.744 6.990 1.00 3.32 H new ATOM 0 HH21 ARG B 415 7.159 -26.132 6.173 1.00 3.70 H new ATOM 0 HH22 ARG B 415 8.497 -26.115 7.327 1.00 3.70 H new ATOM 1959 N SER B 416 2.114 -22.314 6.508 1.00 0.90 N ATOM 1960 CA SER B 416 1.485 -22.733 7.794 1.00 0.99 C ATOM 1961 C SER B 416 -0.036 -22.815 7.639 1.00 0.99 C ATOM 1962 O SER B 416 -0.601 -23.885 7.523 1.00 1.63 O ATOM 1963 CB SER B 416 1.863 -21.639 8.793 1.00 1.20 C ATOM 1964 OG SER B 416 2.682 -22.196 9.812 1.00 1.70 O ATOM 0 H SER B 416 1.792 -21.420 6.137 1.00 0.90 H new ATOM 0 HA SER B 416 1.824 -23.717 8.118 1.00 0.99 H new ATOM 0 HB2 SER B 416 2.393 -20.833 8.284 1.00 1.20 H new ATOM 0 HB3 SER B 416 0.964 -21.203 9.230 1.00 1.20 H new ATOM 0 HG SER B 416 2.927 -21.497 10.453 1.00 1.70 H new ATOM 1970 N GLY B 417 -0.703 -21.693 7.635 1.00 1.06 N ATOM 1971 CA GLY B 417 -2.185 -21.707 7.487 1.00 1.06 C ATOM 1972 C GLY B 417 -2.664 -20.338 7.003 1.00 0.99 C ATOM 1973 O GLY B 417 -3.042 -19.489 7.786 1.00 1.31 O ATOM 0 H GLY B 417 -0.285 -20.767 7.728 1.00 1.06 H new ATOM 0 HA2 GLY B 417 -2.483 -22.479 6.778 1.00 1.06 H new ATOM 0 HA3 GLY B 417 -2.654 -21.952 8.440 1.00 1.06 H new ATOM 1977 N HIS B 418 -2.651 -20.115 5.717 1.00 0.78 N ATOM 1978 CA HIS B 418 -3.105 -18.800 5.181 1.00 0.88 C ATOM 1979 C HIS B 418 -4.604 -18.609 5.431 1.00 0.89 C ATOM 1980 O HIS B 418 -5.376 -19.546 5.385 1.00 1.17 O ATOM 1981 CB HIS B 418 -2.816 -18.861 3.680 1.00 1.01 C ATOM 1982 CG HIS B 418 -3.494 -20.065 3.084 1.00 1.69 C ATOM 1983 ND1 HIS B 418 -4.818 -20.364 2.875 1.00 2.18 N flip ATOM 1984 CD2 HIS B 418 -2.782 -21.159 2.614 1.00 2.31 C flip ATOM 1985 CE1 HIS B 418 -4.927 -21.620 2.286 1.00 2.86 C flip ATOM 1986 NE2 HIS B 418 -3.672 -22.055 2.151 1.00 2.97 N flip ATOM 0 H HIS B 418 -2.345 -20.787 5.014 1.00 0.78 H new ATOM 0 HA HIS B 418 -2.596 -17.964 5.662 1.00 0.88 H new ATOM 0 HB2 HIS B 418 -3.172 -17.953 3.194 1.00 1.01 H new ATOM 0 HB3 HIS B 418 -1.741 -18.914 3.508 1.00 1.01 H new ATOM 0 HD1 HIS B 418 -5.602 -19.758 3.115 1.00 2.18 H new ATOM 0 HD2 HIS B 418 -1.708 -21.271 2.619 1.00 2.31 H new ATOM 0 HE1 HIS B 418 -5.833 -22.133 1.999 1.00 2.86 H new ATOM 1994 N GLN B 419 -5.021 -17.400 5.691 1.00 1.08 N ATOM 1995 CA GLN B 419 -6.466 -17.141 5.940 1.00 1.24 C ATOM 1996 C GLN B 419 -6.792 -15.676 5.633 1.00 1.03 C ATOM 1997 O GLN B 419 -7.311 -15.354 4.583 1.00 1.28 O ATOM 1998 CB GLN B 419 -6.673 -17.443 7.425 1.00 1.71 C ATOM 1999 CG GLN B 419 -7.580 -18.665 7.576 1.00 2.32 C ATOM 2000 CD GLN B 419 -7.333 -19.319 8.937 1.00 2.91 C ATOM 2001 OE1 GLN B 419 -7.423 -20.524 9.070 1.00 3.29 O ATOM 2002 NE2 GLN B 419 -7.023 -18.571 9.960 1.00 3.52 N ATOM 0 H GLN B 419 -4.420 -16.578 5.742 1.00 1.08 H new ATOM 0 HA GLN B 419 -7.115 -17.751 5.311 1.00 1.24 H new ATOM 0 HB2 GLN B 419 -5.713 -17.628 7.907 1.00 1.71 H new ATOM 0 HB3 GLN B 419 -7.119 -16.582 7.923 1.00 1.71 H new ATOM 0 HG2 GLN B 419 -8.625 -18.369 7.487 1.00 2.32 H new ATOM 0 HG3 GLN B 419 -7.382 -19.379 6.776 1.00 2.32 H new ATOM 0 HE21 GLN B 419 -6.947 -17.560 9.848 1.00 3.52 H new ATOM 0 HE22 GLN B 419 -6.856 -18.997 10.872 1.00 3.52 H new ATOM 2011 N ASN B 420 -6.486 -14.786 6.538 1.00 0.78 N ATOM 2012 CA ASN B 420 -6.772 -13.345 6.292 1.00 0.70 C ATOM 2013 C ASN B 420 -5.569 -12.687 5.612 1.00 0.58 C ATOM 2014 O ASN B 420 -4.882 -11.874 6.196 1.00 0.70 O ATOM 2015 CB ASN B 420 -7.002 -12.743 7.679 1.00 0.86 C ATOM 2016 CG ASN B 420 -8.365 -13.189 8.212 1.00 1.35 C ATOM 2017 OD1 ASN B 420 -9.387 -12.665 7.815 1.00 1.96 O ATOM 2018 ND2 ASN B 420 -8.423 -14.142 9.101 1.00 1.87 N ATOM 0 H ASN B 420 -6.051 -14.995 7.436 1.00 0.78 H new ATOM 0 HA ASN B 420 -7.632 -13.195 5.640 1.00 0.70 H new ATOM 0 HB2 ASN B 420 -6.212 -13.060 8.360 1.00 0.86 H new ATOM 0 HB3 ASN B 420 -6.959 -11.655 7.626 1.00 0.86 H new ATOM 0 HD21 ASN B 420 -9.326 -14.447 9.463 1.00 1.87 H new ATOM 0 HD22 ASN B 420 -7.565 -14.582 9.434 1.00 1.87 H new ATOM 2025 N LEU B 421 -5.307 -13.039 4.383 1.00 0.45 N ATOM 2026 CA LEU B 421 -4.144 -12.441 3.665 1.00 0.40 C ATOM 2027 C LEU B 421 -4.471 -11.021 3.195 1.00 0.39 C ATOM 2028 O LEU B 421 -3.996 -10.050 3.748 1.00 0.53 O ATOM 2029 CB LEU B 421 -3.908 -13.361 2.467 1.00 0.42 C ATOM 2030 CG LEU B 421 -2.987 -14.510 2.880 1.00 0.39 C ATOM 2031 CD1 LEU B 421 -3.375 -15.774 2.113 1.00 0.50 C ATOM 2032 CD2 LEU B 421 -1.537 -14.144 2.555 1.00 0.41 C ATOM 0 H LEU B 421 -5.848 -13.715 3.844 1.00 0.45 H new ATOM 0 HA LEU B 421 -3.264 -12.362 4.304 1.00 0.40 H new ATOM 0 HB2 LEU B 421 -4.858 -13.754 2.104 1.00 0.42 H new ATOM 0 HB3 LEU B 421 -3.461 -12.800 1.646 1.00 0.42 H new ATOM 0 HG LEU B 421 -3.086 -14.688 3.951 1.00 0.39 H new ATOM 0 HD11 LEU B 421 -2.719 -16.594 2.407 1.00 0.50 H new ATOM 0 HD12 LEU B 421 -4.408 -16.036 2.342 1.00 0.50 H new ATOM 0 HD13 LEU B 421 -3.275 -15.595 1.042 1.00 0.50 H new ATOM 0 HD21 LEU B 421 -0.880 -14.963 2.849 1.00 0.41 H new ATOM 0 HD22 LEU B 421 -1.438 -13.966 1.484 1.00 0.41 H new ATOM 0 HD23 LEU B 421 -1.259 -13.242 3.100 1.00 0.41 H new ATOM 2044 N LEU B 422 -5.270 -10.894 2.172 1.00 0.33 N ATOM 2045 CA LEU B 422 -5.617 -9.535 1.663 1.00 0.34 C ATOM 2046 C LEU B 422 -6.583 -8.832 2.619 1.00 0.34 C ATOM 2047 O LEU B 422 -6.606 -7.622 2.713 1.00 0.37 O ATOM 2048 CB LEU B 422 -6.289 -9.781 0.311 1.00 0.37 C ATOM 2049 CG LEU B 422 -5.252 -9.650 -0.804 1.00 0.38 C ATOM 2050 CD1 LEU B 422 -5.876 -10.076 -2.135 1.00 0.59 C ATOM 2051 CD2 LEU B 422 -4.791 -8.194 -0.900 1.00 0.63 C ATOM 0 H LEU B 422 -5.698 -11.670 1.667 1.00 0.33 H new ATOM 0 HA LEU B 422 -4.740 -8.894 1.577 1.00 0.34 H new ATOM 0 HB2 LEU B 422 -6.737 -10.774 0.291 1.00 0.37 H new ATOM 0 HB3 LEU B 422 -7.096 -9.064 0.158 1.00 0.37 H new ATOM 0 HG LEU B 422 -4.397 -10.290 -0.583 1.00 0.38 H new ATOM 0 HD11 LEU B 422 -5.136 -9.982 -2.930 1.00 0.59 H new ATOM 0 HD12 LEU B 422 -6.206 -11.112 -2.067 1.00 0.59 H new ATOM 0 HD13 LEU B 422 -6.730 -9.437 -2.357 1.00 0.59 H new ATOM 0 HD21 LEU B 422 -4.051 -8.098 -1.695 1.00 0.63 H new ATOM 0 HD22 LEU B 422 -5.646 -7.555 -1.121 1.00 0.63 H new ATOM 0 HD23 LEU B 422 -4.347 -7.890 0.048 1.00 0.63 H new ATOM 2063 N SER B 423 -7.383 -9.579 3.324 1.00 0.35 N ATOM 2064 CA SER B 423 -8.354 -8.953 4.270 1.00 0.38 C ATOM 2065 C SER B 423 -7.623 -8.159 5.359 1.00 0.36 C ATOM 2066 O SER B 423 -8.220 -7.371 6.067 1.00 0.39 O ATOM 2067 CB SER B 423 -9.116 -10.128 4.882 1.00 0.44 C ATOM 2068 OG SER B 423 -8.289 -10.778 5.836 1.00 1.23 O ATOM 0 H SER B 423 -7.409 -10.598 3.288 1.00 0.35 H new ATOM 0 HA SER B 423 -9.016 -8.247 3.768 1.00 0.38 H new ATOM 0 HB2 SER B 423 -10.031 -9.775 5.358 1.00 0.44 H new ATOM 0 HB3 SER B 423 -9.412 -10.830 4.102 1.00 0.44 H new ATOM 0 HG SER B 423 -8.842 -11.336 6.422 1.00 1.23 H new ATOM 2074 N GLU B 424 -6.341 -8.357 5.507 1.00 0.34 N ATOM 2075 CA GLU B 424 -5.589 -7.609 6.556 1.00 0.36 C ATOM 2076 C GLU B 424 -5.032 -6.297 5.994 1.00 0.32 C ATOM 2077 O GLU B 424 -5.275 -5.231 6.524 1.00 0.33 O ATOM 2078 CB GLU B 424 -4.449 -8.543 6.962 1.00 0.38 C ATOM 2079 CG GLU B 424 -4.754 -9.156 8.330 1.00 0.57 C ATOM 2080 CD GLU B 424 -3.571 -10.014 8.781 1.00 0.81 C ATOM 2081 OE1 GLU B 424 -2.451 -9.542 8.681 1.00 1.54 O ATOM 2082 OE2 GLU B 424 -3.806 -11.128 9.217 1.00 1.22 O ATOM 0 H GLU B 424 -5.783 -9.003 4.949 1.00 0.34 H new ATOM 0 HA GLU B 424 -6.224 -7.340 7.400 1.00 0.36 H new ATOM 0 HB2 GLU B 424 -4.327 -9.330 6.218 1.00 0.38 H new ATOM 0 HB3 GLU B 424 -3.509 -7.992 7.000 1.00 0.38 H new ATOM 0 HG2 GLU B 424 -4.944 -8.368 9.059 1.00 0.57 H new ATOM 0 HG3 GLU B 424 -5.657 -9.764 8.275 1.00 0.57 H new ATOM 2089 N ALA B 425 -4.280 -6.370 4.931 1.00 0.31 N ATOM 2090 CA ALA B 425 -3.697 -5.131 4.338 1.00 0.29 C ATOM 2091 C ALA B 425 -4.770 -4.328 3.595 1.00 0.28 C ATOM 2092 O ALA B 425 -4.629 -3.142 3.374 1.00 0.28 O ATOM 2093 CB ALA B 425 -2.633 -5.630 3.363 1.00 0.29 C ATOM 0 H ALA B 425 -4.043 -7.235 4.446 1.00 0.31 H new ATOM 0 HA ALA B 425 -3.284 -4.468 5.098 1.00 0.29 H new ATOM 0 HB1 ALA B 425 -2.153 -4.778 2.881 1.00 0.29 H new ATOM 0 HB2 ALA B 425 -1.885 -6.209 3.905 1.00 0.29 H new ATOM 0 HB3 ALA B 425 -3.100 -6.259 2.606 1.00 0.29 H new ATOM 2099 N GLN B 426 -5.838 -4.965 3.206 1.00 0.30 N ATOM 2100 CA GLN B 426 -6.917 -4.240 2.474 1.00 0.31 C ATOM 2101 C GLN B 426 -7.395 -3.017 3.273 1.00 0.30 C ATOM 2102 O GLN B 426 -7.348 -1.906 2.781 1.00 0.30 O ATOM 2103 CB GLN B 426 -8.051 -5.253 2.327 1.00 0.36 C ATOM 2104 CG GLN B 426 -7.945 -5.948 0.968 1.00 0.45 C ATOM 2105 CD GLN B 426 -9.090 -6.951 0.817 1.00 0.53 C ATOM 2106 OE1 GLN B 426 -8.898 -8.140 0.973 1.00 1.23 O ATOM 2107 NE2 GLN B 426 -10.285 -6.517 0.516 1.00 1.09 N ATOM 0 H GLN B 426 -6.012 -5.958 3.363 1.00 0.30 H new ATOM 0 HA GLN B 426 -6.569 -3.868 1.510 1.00 0.31 H new ATOM 0 HB2 GLN B 426 -8.000 -5.990 3.129 1.00 0.36 H new ATOM 0 HB3 GLN B 426 -9.014 -4.751 2.416 1.00 0.36 H new ATOM 0 HG2 GLN B 426 -7.985 -5.211 0.166 1.00 0.45 H new ATOM 0 HG3 GLN B 426 -6.986 -6.459 0.883 1.00 0.45 H new ATOM 0 HE21 GLN B 426 -10.447 -5.519 0.385 1.00 1.09 H new ATOM 0 HE22 GLN B 426 -11.056 -7.177 0.412 1.00 1.09 H new ATOM 2116 N PRO B 427 -7.854 -3.258 4.479 1.00 0.32 N ATOM 2117 CA PRO B 427 -8.356 -2.149 5.330 1.00 0.34 C ATOM 2118 C PRO B 427 -7.213 -1.220 5.745 1.00 0.31 C ATOM 2119 O PRO B 427 -7.426 -0.066 6.052 1.00 0.35 O ATOM 2120 CB PRO B 427 -8.955 -2.863 6.540 1.00 0.39 C ATOM 2121 CG PRO B 427 -8.253 -4.180 6.590 1.00 0.38 C ATOM 2122 CD PRO B 427 -7.948 -4.556 5.165 1.00 0.35 C ATOM 0 HA PRO B 427 -9.080 -1.515 4.818 1.00 0.34 H new ATOM 0 HB2 PRO B 427 -8.794 -2.294 7.455 1.00 0.39 H new ATOM 0 HB3 PRO B 427 -10.032 -2.992 6.430 1.00 0.39 H new ATOM 0 HG2 PRO B 427 -7.337 -4.109 7.177 1.00 0.38 H new ATOM 0 HG3 PRO B 427 -8.879 -4.935 7.065 1.00 0.38 H new ATOM 0 HD2 PRO B 427 -7.017 -5.118 5.089 1.00 0.35 H new ATOM 0 HD3 PRO B 427 -8.733 -5.180 4.738 1.00 0.35 H new ATOM 2130 N GLU B 428 -6.003 -1.705 5.753 1.00 0.29 N ATOM 2131 CA GLU B 428 -4.862 -0.831 6.145 1.00 0.29 C ATOM 2132 C GLU B 428 -4.715 0.315 5.141 1.00 0.27 C ATOM 2133 O GLU B 428 -4.657 1.472 5.508 1.00 0.32 O ATOM 2134 CB GLU B 428 -3.632 -1.739 6.115 1.00 0.29 C ATOM 2135 CG GLU B 428 -2.788 -1.495 7.367 1.00 0.71 C ATOM 2136 CD GLU B 428 -3.361 -2.302 8.532 1.00 1.36 C ATOM 2137 OE1 GLU B 428 -3.370 -3.518 8.438 1.00 2.11 O ATOM 2138 OE2 GLU B 428 -3.782 -1.689 9.500 1.00 2.07 O ATOM 0 H GLU B 428 -5.755 -2.663 5.507 1.00 0.29 H new ATOM 0 HA GLU B 428 -5.003 -0.379 7.127 1.00 0.29 H new ATOM 0 HB2 GLU B 428 -3.939 -2.784 6.068 1.00 0.29 H new ATOM 0 HB3 GLU B 428 -3.041 -1.540 5.221 1.00 0.29 H new ATOM 0 HG2 GLU B 428 -1.753 -1.785 7.184 1.00 0.71 H new ATOM 0 HG3 GLU B 428 -2.782 -0.433 7.614 1.00 0.71 H new ATOM 2145 N LEU B 429 -4.658 0.003 3.874 1.00 0.25 N ATOM 2146 CA LEU B 429 -4.522 1.076 2.847 1.00 0.26 C ATOM 2147 C LEU B 429 -5.771 1.964 2.859 1.00 0.25 C ATOM 2148 O LEU B 429 -5.682 3.176 2.871 1.00 0.28 O ATOM 2149 CB LEU B 429 -4.389 0.331 1.512 1.00 0.26 C ATOM 2150 CG LEU B 429 -4.526 1.310 0.338 1.00 0.29 C ATOM 2151 CD1 LEU B 429 -3.517 2.450 0.489 1.00 0.45 C ATOM 2152 CD2 LEU B 429 -4.259 0.570 -0.975 1.00 0.56 C ATOM 0 H LEU B 429 -4.700 -0.947 3.506 1.00 0.25 H new ATOM 0 HA LEU B 429 -3.668 1.728 3.028 1.00 0.26 H new ATOM 0 HB2 LEU B 429 -3.423 -0.172 1.464 1.00 0.26 H new ATOM 0 HB3 LEU B 429 -5.155 -0.441 1.441 1.00 0.26 H new ATOM 0 HG LEU B 429 -5.535 1.721 0.332 1.00 0.29 H new ATOM 0 HD11 LEU B 429 -3.620 3.141 -0.348 1.00 0.45 H new ATOM 0 HD12 LEU B 429 -3.704 2.981 1.423 1.00 0.45 H new ATOM 0 HD13 LEU B 429 -2.506 2.042 0.500 1.00 0.45 H new ATOM 0 HD21 LEU B 429 -4.356 1.264 -1.810 1.00 0.56 H new ATOM 0 HD22 LEU B 429 -3.250 0.157 -0.961 1.00 0.56 H new ATOM 0 HD23 LEU B 429 -4.980 -0.239 -1.090 1.00 0.56 H new ATOM 2164 N GLU B 430 -6.933 1.372 2.857 1.00 0.26 N ATOM 2165 CA GLU B 430 -8.182 2.186 2.869 1.00 0.28 C ATOM 2166 C GLU B 430 -8.212 3.088 4.107 1.00 0.30 C ATOM 2167 O GLU B 430 -8.589 4.240 4.038 1.00 0.33 O ATOM 2168 CB GLU B 430 -9.320 1.165 2.920 1.00 0.30 C ATOM 2169 CG GLU B 430 -10.010 1.102 1.555 1.00 0.61 C ATOM 2170 CD GLU B 430 -9.264 0.123 0.649 1.00 1.45 C ATOM 2171 OE1 GLU B 430 -9.093 -1.016 1.053 1.00 2.17 O ATOM 2172 OE2 GLU B 430 -8.875 0.527 -0.434 1.00 2.05 O ATOM 0 H GLU B 430 -7.072 0.362 2.848 1.00 0.26 H new ATOM 0 HA GLU B 430 -8.260 2.838 1.999 1.00 0.28 H new ATOM 0 HB2 GLU B 430 -8.930 0.183 3.188 1.00 0.30 H new ATOM 0 HB3 GLU B 430 -10.039 1.444 3.690 1.00 0.30 H new ATOM 0 HG2 GLU B 430 -11.046 0.786 1.674 1.00 0.61 H new ATOM 0 HG3 GLU B 430 -10.029 2.092 1.100 1.00 0.61 H new ATOM 2179 N ARG B 431 -7.820 2.570 5.239 1.00 0.33 N ATOM 2180 CA ARG B 431 -7.827 3.394 6.483 1.00 0.37 C ATOM 2181 C ARG B 431 -6.807 4.531 6.380 1.00 0.36 C ATOM 2182 O ARG B 431 -7.109 5.677 6.646 1.00 0.38 O ATOM 2183 CB ARG B 431 -7.432 2.426 7.600 1.00 0.41 C ATOM 2184 CG ARG B 431 -7.794 3.034 8.957 1.00 0.59 C ATOM 2185 CD ARG B 431 -6.530 3.577 9.627 1.00 1.32 C ATOM 2186 NE ARG B 431 -6.642 3.157 11.052 1.00 1.56 N ATOM 2187 CZ ARG B 431 -5.571 3.070 11.793 1.00 2.19 C ATOM 2188 NH1 ARG B 431 -4.828 1.998 11.741 1.00 2.87 N ATOM 2189 NH2 ARG B 431 -5.244 4.052 12.586 1.00 2.78 N ATOM 0 H ARG B 431 -7.495 1.611 5.357 1.00 0.33 H new ATOM 0 HA ARG B 431 -8.798 3.856 6.662 1.00 0.37 H new ATOM 0 HB2 ARG B 431 -7.945 1.474 7.468 1.00 0.41 H new ATOM 0 HB3 ARG B 431 -6.362 2.220 7.556 1.00 0.41 H new ATOM 0 HG2 ARG B 431 -8.522 3.835 8.826 1.00 0.59 H new ATOM 0 HG3 ARG B 431 -8.260 2.281 9.592 1.00 0.59 H new ATOM 0 HD2 ARG B 431 -5.631 3.169 9.164 1.00 1.32 H new ATOM 0 HD3 ARG B 431 -6.470 4.662 9.538 1.00 1.32 H new ATOM 0 HE ARG B 431 -7.556 2.937 11.449 1.00 1.56 H new ATOM 0 HH11 ARG B 431 -5.085 1.229 11.122 1.00 2.87 H new ATOM 0 HH12 ARG B 431 -3.991 1.929 12.320 1.00 2.87 H new ATOM 0 HH21 ARG B 431 -5.825 4.889 12.628 1.00 2.78 H new ATOM 0 HH22 ARG B 431 -4.407 3.983 13.165 1.00 2.78 H new ATOM 2203 N THR B 432 -5.597 4.220 6.003 1.00 0.41 N ATOM 2204 CA THR B 432 -4.552 5.278 5.892 1.00 0.45 C ATOM 2205 C THR B 432 -5.051 6.444 5.032 1.00 0.40 C ATOM 2206 O THR B 432 -5.080 7.579 5.466 1.00 0.56 O ATOM 2207 CB THR B 432 -3.363 4.589 5.221 1.00 0.53 C ATOM 2208 OG1 THR B 432 -3.037 3.407 5.940 1.00 0.61 O ATOM 2209 CG2 THR B 432 -2.160 5.532 5.215 1.00 0.62 C ATOM 0 H THR B 432 -5.286 3.278 5.767 1.00 0.41 H new ATOM 0 HA THR B 432 -4.291 5.697 6.864 1.00 0.45 H new ATOM 0 HB THR B 432 -3.624 4.332 4.194 1.00 0.53 H new ATOM 0 HG1 THR B 432 -3.415 2.629 5.479 1.00 0.61 H new ATOM 0 HG21 THR B 432 -1.314 5.039 4.736 1.00 0.62 H new ATOM 0 HG22 THR B 432 -2.411 6.438 4.664 1.00 0.62 H new ATOM 0 HG23 THR B 432 -1.896 5.792 6.240 1.00 0.62 H new ATOM 2217 N LEU B 433 -5.434 6.177 3.813 1.00 0.33 N ATOM 2218 CA LEU B 433 -5.919 7.276 2.927 1.00 0.30 C ATOM 2219 C LEU B 433 -7.236 7.856 3.455 1.00 0.27 C ATOM 2220 O LEU B 433 -7.400 9.056 3.548 1.00 0.25 O ATOM 2221 CB LEU B 433 -6.130 6.621 1.563 1.00 0.37 C ATOM 2222 CG LEU B 433 -5.474 7.482 0.480 1.00 0.42 C ATOM 2223 CD1 LEU B 433 -6.112 8.872 0.480 1.00 0.41 C ATOM 2224 CD2 LEU B 433 -3.976 7.610 0.769 1.00 0.44 C ATOM 0 H LEU B 433 -5.432 5.248 3.392 1.00 0.33 H new ATOM 0 HA LEU B 433 -5.211 8.104 2.879 1.00 0.30 H new ATOM 0 HB2 LEU B 433 -5.700 5.620 1.557 1.00 0.37 H new ATOM 0 HB3 LEU B 433 -7.195 6.511 1.361 1.00 0.37 H new ATOM 0 HG LEU B 433 -5.618 7.014 -0.494 1.00 0.42 H new ATOM 0 HD11 LEU B 433 -5.646 9.486 -0.291 1.00 0.41 H new ATOM 0 HD12 LEU B 433 -7.179 8.783 0.277 1.00 0.41 H new ATOM 0 HD13 LEU B 433 -5.966 9.339 1.454 1.00 0.41 H new ATOM 0 HD21 LEU B 433 -3.508 8.223 -0.001 1.00 0.44 H new ATOM 0 HD22 LEU B 433 -3.832 8.079 1.743 1.00 0.44 H new ATOM 0 HD23 LEU B 433 -3.520 6.620 0.772 1.00 0.44 H new ATOM 2236 N LEU B 434 -8.178 7.018 3.800 1.00 0.32 N ATOM 2237 CA LEU B 434 -9.480 7.535 4.319 1.00 0.32 C ATOM 2238 C LEU B 434 -9.240 8.540 5.450 1.00 0.29 C ATOM 2239 O LEU B 434 -9.855 9.587 5.503 1.00 0.30 O ATOM 2240 CB LEU B 434 -10.220 6.305 4.843 1.00 0.41 C ATOM 2241 CG LEU B 434 -11.615 6.713 5.320 1.00 0.65 C ATOM 2242 CD1 LEU B 434 -12.657 6.264 4.295 1.00 0.84 C ATOM 2243 CD2 LEU B 434 -11.907 6.049 6.668 1.00 1.14 C ATOM 0 H LEU B 434 -8.104 6.002 3.746 1.00 0.32 H new ATOM 0 HA LEU B 434 -10.051 8.054 3.549 1.00 0.32 H new ATOM 0 HB2 LEU B 434 -10.298 5.553 4.058 1.00 0.41 H new ATOM 0 HB3 LEU B 434 -9.661 5.853 5.663 1.00 0.41 H new ATOM 0 HG LEU B 434 -11.658 7.796 5.431 1.00 0.65 H new ATOM 0 HD11 LEU B 434 -13.651 6.555 4.635 1.00 0.84 H new ATOM 0 HD12 LEU B 434 -12.450 6.736 3.335 1.00 0.84 H new ATOM 0 HD13 LEU B 434 -12.614 5.181 4.183 1.00 0.84 H new ATOM 0 HD21 LEU B 434 -12.901 6.339 7.009 1.00 1.14 H new ATOM 0 HD22 LEU B 434 -11.863 4.966 6.557 1.00 1.14 H new ATOM 0 HD23 LEU B 434 -11.165 6.369 7.399 1.00 1.14 H new ATOM 2255 N THR B 435 -8.348 8.231 6.351 1.00 0.34 N ATOM 2256 CA THR B 435 -8.070 9.173 7.473 1.00 0.37 C ATOM 2257 C THR B 435 -7.324 10.403 6.950 1.00 0.35 C ATOM 2258 O THR B 435 -7.451 11.490 7.481 1.00 0.39 O ATOM 2259 CB THR B 435 -7.192 8.384 8.446 1.00 0.45 C ATOM 2260 OG1 THR B 435 -7.781 7.114 8.690 1.00 0.52 O ATOM 2261 CG2 THR B 435 -7.068 9.152 9.763 1.00 0.55 C ATOM 0 H THR B 435 -7.801 7.370 6.359 1.00 0.34 H new ATOM 0 HA THR B 435 -8.982 9.531 7.950 1.00 0.37 H new ATOM 0 HB THR B 435 -6.201 8.248 8.013 1.00 0.45 H new ATOM 0 HG1 THR B 435 -7.298 6.427 8.185 1.00 0.52 H new ATOM 0 HG21 THR B 435 -6.442 8.589 10.455 1.00 0.55 H new ATOM 0 HG22 THR B 435 -6.616 10.126 9.575 1.00 0.55 H new ATOM 0 HG23 THR B 435 -8.058 9.290 10.198 1.00 0.55 H new ATOM 2269 N THR B 436 -6.551 10.243 5.910 1.00 0.33 N ATOM 2270 CA THR B 436 -5.803 11.405 5.352 1.00 0.36 C ATOM 2271 C THR B 436 -6.780 12.398 4.721 1.00 0.36 C ATOM 2272 O THR B 436 -6.955 13.501 5.201 1.00 0.40 O ATOM 2273 CB THR B 436 -4.877 10.810 4.290 1.00 0.38 C ATOM 2274 OG1 THR B 436 -4.059 9.813 4.885 1.00 0.39 O ATOM 2275 CG2 THR B 436 -3.995 11.912 3.704 1.00 0.49 C ATOM 0 H THR B 436 -6.405 9.359 5.423 1.00 0.33 H new ATOM 0 HA THR B 436 -5.245 11.947 6.116 1.00 0.36 H new ATOM 0 HB THR B 436 -5.474 10.365 3.494 1.00 0.38 H new ATOM 0 HG1 THR B 436 -4.497 8.940 4.806 1.00 0.39 H new ATOM 0 HG21 THR B 436 -3.336 11.487 2.947 1.00 0.49 H new ATOM 0 HG22 THR B 436 -4.623 12.677 3.249 1.00 0.49 H new ATOM 0 HG23 THR B 436 -3.396 12.359 4.497 1.00 0.49 H new ATOM 2283 N ALA B 437 -7.428 12.016 3.652 1.00 0.34 N ATOM 2284 CA ALA B 437 -8.401 12.941 3.003 1.00 0.36 C ATOM 2285 C ALA B 437 -9.415 13.426 4.038 1.00 0.36 C ATOM 2286 O ALA B 437 -9.788 14.582 4.060 1.00 0.41 O ATOM 2287 CB ALA B 437 -9.086 12.108 1.921 1.00 0.35 C ATOM 0 H ALA B 437 -7.326 11.106 3.202 1.00 0.34 H new ATOM 0 HA ALA B 437 -7.922 13.825 2.582 1.00 0.36 H new ATOM 0 HB1 ALA B 437 -9.819 12.723 1.398 1.00 0.35 H new ATOM 0 HB2 ALA B 437 -8.340 11.749 1.211 1.00 0.35 H new ATOM 0 HB3 ALA B 437 -9.588 11.257 2.381 1.00 0.35 H new ATOM 2293 N LEU B 438 -9.854 12.558 4.910 1.00 0.34 N ATOM 2294 CA LEU B 438 -10.828 12.994 5.946 1.00 0.36 C ATOM 2295 C LEU B 438 -10.213 14.130 6.762 1.00 0.42 C ATOM 2296 O LEU B 438 -10.882 15.070 7.139 1.00 0.46 O ATOM 2297 CB LEU B 438 -11.081 11.766 6.826 1.00 0.36 C ATOM 2298 CG LEU B 438 -11.899 12.177 8.059 1.00 0.41 C ATOM 2299 CD1 LEU B 438 -13.194 12.866 7.617 1.00 0.42 C ATOM 2300 CD2 LEU B 438 -12.247 10.938 8.885 1.00 0.45 C ATOM 0 H LEU B 438 -9.582 11.576 4.948 1.00 0.34 H new ATOM 0 HA LEU B 438 -11.760 13.361 5.516 1.00 0.36 H new ATOM 0 HB2 LEU B 438 -11.616 11.004 6.259 1.00 0.36 H new ATOM 0 HB3 LEU B 438 -10.133 11.326 7.136 1.00 0.36 H new ATOM 0 HG LEU B 438 -11.307 12.865 8.663 1.00 0.41 H new ATOM 0 HD11 LEU B 438 -13.770 13.155 8.496 1.00 0.42 H new ATOM 0 HD12 LEU B 438 -12.953 13.754 7.033 1.00 0.42 H new ATOM 0 HD13 LEU B 438 -13.782 12.179 7.008 1.00 0.42 H new ATOM 0 HD21 LEU B 438 -12.827 11.234 9.759 1.00 0.45 H new ATOM 0 HD22 LEU B 438 -12.833 10.248 8.277 1.00 0.45 H new ATOM 0 HD23 LEU B 438 -11.329 10.447 9.209 1.00 0.45 H new ATOM 2312 N ARG B 439 -8.933 14.059 7.029 1.00 0.43 N ATOM 2313 CA ARG B 439 -8.277 15.148 7.811 1.00 0.50 C ATOM 2314 C ARG B 439 -8.622 16.499 7.182 1.00 0.54 C ATOM 2315 O ARG B 439 -8.924 17.458 7.866 1.00 0.60 O ATOM 2316 CB ARG B 439 -6.778 14.867 7.705 1.00 0.52 C ATOM 2317 CG ARG B 439 -6.065 15.429 8.936 1.00 0.77 C ATOM 2318 CD ARG B 439 -4.717 14.723 9.109 1.00 1.27 C ATOM 2319 NE ARG B 439 -3.780 15.789 9.562 1.00 1.73 N ATOM 2320 CZ ARG B 439 -3.170 15.677 10.710 1.00 2.28 C ATOM 2321 NH1 ARG B 439 -3.816 15.225 11.749 1.00 2.89 N ATOM 2322 NH2 ARG B 439 -1.915 16.018 10.819 1.00 2.81 N ATOM 0 H ARG B 439 -8.318 13.298 6.741 1.00 0.43 H new ATOM 0 HA ARG B 439 -8.603 15.179 8.850 1.00 0.50 H new ATOM 0 HB2 ARG B 439 -6.603 13.794 7.629 1.00 0.52 H new ATOM 0 HB3 ARG B 439 -6.375 15.321 6.800 1.00 0.52 H new ATOM 0 HG2 ARG B 439 -5.914 16.503 8.824 1.00 0.77 H new ATOM 0 HG3 ARG B 439 -6.680 15.285 9.824 1.00 0.77 H new ATOM 0 HD2 ARG B 439 -4.784 13.919 9.841 1.00 1.27 H new ATOM 0 HD3 ARG B 439 -4.383 14.275 8.173 1.00 1.27 H new ATOM 0 HE ARG B 439 -3.615 16.606 8.975 1.00 1.73 H new ATOM 0 HH11 ARG B 439 -4.797 14.959 11.664 1.00 2.89 H new ATOM 0 HH12 ARG B 439 -3.340 15.137 12.647 1.00 2.89 H new ATOM 0 HH21 ARG B 439 -1.410 16.372 10.006 1.00 2.81 H new ATOM 0 HH22 ARG B 439 -1.439 15.930 11.717 1.00 2.81 H new ATOM 2336 N HIS B 440 -8.605 16.570 5.879 1.00 0.52 N ATOM 2337 CA HIS B 440 -8.962 17.844 5.200 1.00 0.57 C ATOM 2338 C HIS B 440 -10.377 18.246 5.621 1.00 0.58 C ATOM 2339 O HIS B 440 -10.721 19.410 5.670 1.00 0.64 O ATOM 2340 CB HIS B 440 -8.905 17.522 3.705 1.00 0.55 C ATOM 2341 CG HIS B 440 -9.248 18.753 2.913 1.00 0.63 C ATOM 2342 ND1 HIS B 440 -10.311 19.054 2.097 1.00 1.04 N flip ATOM 2343 CD2 HIS B 440 -8.437 19.877 2.907 1.00 0.82 C flip ATOM 2344 CE1 HIS B 440 -10.164 20.343 1.592 1.00 0.97 C flip ATOM 2345 NE2 HIS B 440 -9.018 20.793 2.111 1.00 0.75 N flip ATOM 0 H HIS B 440 -8.359 15.800 5.257 1.00 0.52 H new ATOM 0 HA HIS B 440 -8.297 18.670 5.452 1.00 0.57 H new ATOM 0 HB2 HIS B 440 -7.909 17.169 3.436 1.00 0.55 H new ATOM 0 HB3 HIS B 440 -9.602 16.718 3.468 1.00 0.55 H new ATOM 0 HD2 HIS B 440 -7.507 19.996 3.444 1.00 0.82 H new ATOM 0 HE1 HIS B 440 -10.832 20.866 0.924 1.00 0.97 H new ATOM 0 HE2 HIS B 440 -8.631 21.718 1.926 1.00 0.75 H new ATOM 2353 N THR B 441 -11.190 17.276 5.942 1.00 0.53 N ATOM 2354 CA THR B 441 -12.584 17.564 6.384 1.00 0.55 C ATOM 2355 C THR B 441 -12.888 16.749 7.646 1.00 0.56 C ATOM 2356 O THR B 441 -13.867 16.033 7.714 1.00 0.55 O ATOM 2357 CB THR B 441 -13.478 17.108 5.226 1.00 0.53 C ATOM 2358 OG1 THR B 441 -13.404 15.695 5.102 1.00 0.48 O ATOM 2359 CG2 THR B 441 -13.013 17.761 3.923 1.00 0.54 C ATOM 0 H THR B 441 -10.945 16.286 5.916 1.00 0.53 H new ATOM 0 HA THR B 441 -12.742 18.616 6.620 1.00 0.55 H new ATOM 0 HB THR B 441 -14.508 17.404 5.427 1.00 0.53 H new ATOM 0 HG1 THR B 441 -13.826 15.276 5.881 1.00 0.48 H new ATOM 0 HG21 THR B 441 -13.652 17.433 3.103 1.00 0.54 H new ATOM 0 HG22 THR B 441 -13.072 18.845 4.018 1.00 0.54 H new ATOM 0 HG23 THR B 441 -11.983 17.471 3.718 1.00 0.54 H new ATOM 2367 N GLN B 442 -12.031 16.841 8.634 1.00 0.59 N ATOM 2368 CA GLN B 442 -12.225 16.065 9.900 1.00 0.62 C ATOM 2369 C GLN B 442 -13.690 16.077 10.351 1.00 0.64 C ATOM 2370 O GLN B 442 -14.284 17.117 10.551 1.00 0.69 O ATOM 2371 CB GLN B 442 -11.347 16.777 10.930 1.00 0.69 C ATOM 2372 CG GLN B 442 -11.829 18.217 11.106 1.00 1.43 C ATOM 2373 CD GLN B 442 -10.626 19.161 11.112 1.00 1.79 C ATOM 2374 OE1 GLN B 442 -9.588 18.844 10.564 1.00 2.16 O ATOM 2375 NE2 GLN B 442 -10.719 20.315 11.712 1.00 2.47 N ATOM 0 H GLN B 442 -11.196 17.427 8.617 1.00 0.59 H new ATOM 0 HA GLN B 442 -11.958 15.016 9.771 1.00 0.62 H new ATOM 0 HB2 GLN B 442 -11.387 16.250 11.883 1.00 0.69 H new ATOM 0 HB3 GLN B 442 -10.307 16.768 10.604 1.00 0.69 H new ATOM 0 HG2 GLN B 442 -12.511 18.485 10.299 1.00 1.43 H new ATOM 0 HG3 GLN B 442 -12.385 18.314 12.038 1.00 1.43 H new ATOM 0 HE21 GLN B 442 -11.589 20.582 12.172 1.00 2.47 H new ATOM 0 HE22 GLN B 442 -9.921 20.951 11.721 1.00 2.47 H new ATOM 2384 N GLY B 443 -14.270 14.919 10.517 1.00 0.63 N ATOM 2385 CA GLY B 443 -15.690 14.850 10.960 1.00 0.66 C ATOM 2386 C GLY B 443 -16.610 14.789 9.738 1.00 0.64 C ATOM 2387 O GLY B 443 -17.582 14.060 9.719 1.00 0.66 O ATOM 0 H GLY B 443 -13.820 14.017 10.364 1.00 0.63 H new ATOM 0 HA2 GLY B 443 -15.843 13.971 11.587 1.00 0.66 H new ATOM 0 HA3 GLY B 443 -15.934 15.721 11.568 1.00 0.66 H new ATOM 2391 N HIS B 444 -16.314 15.549 8.721 1.00 0.62 N ATOM 2392 CA HIS B 444 -17.176 15.531 7.505 1.00 0.62 C ATOM 2393 C HIS B 444 -17.279 14.108 6.950 1.00 0.67 C ATOM 2394 O HIS B 444 -18.359 13.588 6.754 1.00 1.34 O ATOM 2395 CB HIS B 444 -16.472 16.448 6.504 1.00 0.63 C ATOM 2396 CG HIS B 444 -17.468 17.412 5.920 1.00 0.95 C ATOM 2397 ND1 HIS B 444 -18.807 17.290 5.638 1.00 1.52 N flip ATOM 2398 CD2 HIS B 444 -17.119 18.701 5.546 1.00 1.62 C flip ATOM 2399 CE1 HIS B 444 -19.282 18.481 5.099 1.00 1.77 C flip ATOM 2400 NE2 HIS B 444 -18.225 19.297 5.066 1.00 1.86 N flip ATOM 0 H HIS B 444 -15.514 16.181 8.678 1.00 0.62 H new ATOM 0 HA HIS B 444 -18.192 15.864 7.716 1.00 0.62 H new ATOM 0 HB2 HIS B 444 -15.668 16.994 6.998 1.00 0.63 H new ATOM 0 HB3 HIS B 444 -16.015 15.856 5.711 1.00 0.63 H new ATOM 0 HD2 HIS B 444 -16.138 19.145 5.626 1.00 1.62 H new ATOM 0 HE1 HIS B 444 -20.289 18.699 4.776 1.00 1.77 H new ATOM 0 HE2 HIS B 444 -18.253 20.256 4.719 1.00 1.86 H new ATOM 2408 N LYS B 445 -16.160 13.474 6.698 1.00 0.62 N ATOM 2409 CA LYS B 445 -16.173 12.078 6.150 1.00 0.51 C ATOM 2410 C LYS B 445 -16.771 12.067 4.738 1.00 0.51 C ATOM 2411 O LYS B 445 -16.083 11.821 3.767 1.00 0.57 O ATOM 2412 CB LYS B 445 -17.038 11.253 7.112 1.00 0.62 C ATOM 2413 CG LYS B 445 -16.289 9.976 7.498 1.00 1.31 C ATOM 2414 CD LYS B 445 -17.104 9.197 8.533 1.00 1.56 C ATOM 2415 CE LYS B 445 -16.914 7.696 8.306 1.00 2.23 C ATOM 2416 NZ LYS B 445 -17.775 7.041 9.330 1.00 2.52 N ATOM 0 H LYS B 445 -15.230 13.865 6.849 1.00 0.62 H new ATOM 0 HA LYS B 445 -15.166 11.667 6.074 1.00 0.51 H new ATOM 0 HB2 LYS B 445 -17.268 11.837 8.003 1.00 0.62 H new ATOM 0 HB3 LYS B 445 -17.988 11.002 6.641 1.00 0.62 H new ATOM 0 HG2 LYS B 445 -16.120 9.360 6.615 1.00 1.31 H new ATOM 0 HG3 LYS B 445 -15.309 10.226 7.905 1.00 1.31 H new ATOM 0 HD2 LYS B 445 -16.786 9.467 9.540 1.00 1.56 H new ATOM 0 HD3 LYS B 445 -18.159 9.457 8.452 1.00 1.56 H new ATOM 0 HE2 LYS B 445 -17.211 7.408 7.298 1.00 2.23 H new ATOM 0 HE3 LYS B 445 -15.870 7.408 8.425 1.00 2.23 H new ATOM 0 HZ1 LYS B 445 -17.699 6.008 9.238 1.00 2.52 H new ATOM 0 HZ2 LYS B 445 -17.464 7.328 10.280 1.00 2.52 H new ATOM 0 HZ3 LYS B 445 -18.764 7.329 9.187 1.00 2.52 H new ATOM 2430 N GLN B 446 -18.044 12.332 4.614 1.00 0.53 N ATOM 2431 CA GLN B 446 -18.678 12.339 3.262 1.00 0.56 C ATOM 2432 C GLN B 446 -17.872 13.223 2.305 1.00 0.52 C ATOM 2433 O GLN B 446 -17.679 12.890 1.152 1.00 0.51 O ATOM 2434 CB GLN B 446 -20.076 12.919 3.482 1.00 0.64 C ATOM 2435 CG GLN B 446 -20.899 12.763 2.202 1.00 1.11 C ATOM 2436 CD GLN B 446 -22.129 13.671 2.268 1.00 1.79 C ATOM 2437 OE1 GLN B 446 -23.167 13.271 2.757 1.00 2.45 O ATOM 2438 NE2 GLN B 446 -22.055 14.884 1.795 1.00 2.40 N ATOM 0 H GLN B 446 -18.672 12.544 5.389 1.00 0.53 H new ATOM 0 HA GLN B 446 -18.716 11.344 2.818 1.00 0.56 H new ATOM 0 HB2 GLN B 446 -20.568 12.406 4.308 1.00 0.64 H new ATOM 0 HB3 GLN B 446 -20.006 13.972 3.756 1.00 0.64 H new ATOM 0 HG2 GLN B 446 -20.292 13.019 1.334 1.00 1.11 H new ATOM 0 HG3 GLN B 446 -21.207 11.725 2.080 1.00 1.11 H new ATOM 0 HE21 GLN B 446 -21.183 15.219 1.385 1.00 2.40 H new ATOM 0 HE22 GLN B 446 -22.869 15.498 1.835 1.00 2.40 H new ATOM 2447 N GLU B 447 -17.397 14.344 2.774 1.00 0.52 N ATOM 2448 CA GLU B 447 -16.599 15.240 1.889 1.00 0.51 C ATOM 2449 C GLU B 447 -15.426 14.464 1.285 1.00 0.45 C ATOM 2450 O GLU B 447 -15.077 14.641 0.136 1.00 0.45 O ATOM 2451 CB GLU B 447 -16.091 16.354 2.805 1.00 0.53 C ATOM 2452 CG GLU B 447 -15.766 17.595 1.971 1.00 0.80 C ATOM 2453 CD GLU B 447 -17.065 18.230 1.471 1.00 1.32 C ATOM 2454 OE1 GLU B 447 -17.811 18.733 2.295 1.00 1.96 O ATOM 2455 OE2 GLU B 447 -17.292 18.202 0.273 1.00 2.14 O ATOM 0 H GLU B 447 -17.526 14.678 3.729 1.00 0.52 H new ATOM 0 HA GLU B 447 -17.185 15.635 1.059 1.00 0.51 H new ATOM 0 HB2 GLU B 447 -16.845 16.594 3.555 1.00 0.53 H new ATOM 0 HB3 GLU B 447 -15.203 16.021 3.342 1.00 0.53 H new ATOM 0 HG2 GLU B 447 -15.206 18.312 2.571 1.00 0.80 H new ATOM 0 HG3 GLU B 447 -15.133 17.323 1.126 1.00 0.80 H new ATOM 2462 N ALA B 448 -14.820 13.601 2.053 1.00 0.43 N ATOM 2463 CA ALA B 448 -13.674 12.810 1.523 1.00 0.39 C ATOM 2464 C ALA B 448 -14.097 12.057 0.259 1.00 0.40 C ATOM 2465 O ALA B 448 -13.277 11.686 -0.558 1.00 0.40 O ATOM 2466 CB ALA B 448 -13.321 11.827 2.640 1.00 0.39 C ATOM 0 H ALA B 448 -15.068 13.410 3.024 1.00 0.43 H new ATOM 0 HA ALA B 448 -12.826 13.439 1.252 1.00 0.39 H new ATOM 0 HB1 ALA B 448 -12.482 11.205 2.326 1.00 0.39 H new ATOM 0 HB2 ALA B 448 -13.046 12.380 3.538 1.00 0.39 H new ATOM 0 HB3 ALA B 448 -14.182 11.194 2.853 1.00 0.39 H new ATOM 2472 N ALA B 449 -15.374 11.831 0.090 1.00 0.44 N ATOM 2473 CA ALA B 449 -15.850 11.104 -1.123 1.00 0.47 C ATOM 2474 C ALA B 449 -15.294 11.766 -2.386 1.00 0.48 C ATOM 2475 O ALA B 449 -14.578 11.159 -3.157 1.00 0.49 O ATOM 2476 CB ALA B 449 -17.374 11.229 -1.089 1.00 0.52 C ATOM 0 H ALA B 449 -16.107 12.118 0.739 1.00 0.44 H new ATOM 0 HA ALA B 449 -15.524 10.064 -1.133 1.00 0.47 H new ATOM 0 HB1 ALA B 449 -17.800 10.718 -1.952 1.00 0.52 H new ATOM 0 HB2 ALA B 449 -17.756 10.776 -0.174 1.00 0.52 H new ATOM 0 HB3 ALA B 449 -17.653 12.282 -1.117 1.00 0.52 H new ATOM 2482 N ARG B 450 -15.622 13.011 -2.601 1.00 0.49 N ATOM 2483 CA ARG B 450 -15.117 13.721 -3.811 1.00 0.52 C ATOM 2484 C ARG B 450 -13.592 13.840 -3.760 1.00 0.49 C ATOM 2485 O ARG B 450 -12.912 13.668 -4.753 1.00 0.50 O ATOM 2486 CB ARG B 450 -15.764 15.105 -3.750 1.00 0.57 C ATOM 2487 CG ARG B 450 -15.775 15.727 -5.148 1.00 0.78 C ATOM 2488 CD ARG B 450 -15.902 17.248 -5.030 1.00 1.37 C ATOM 2489 NE ARG B 450 -17.348 17.530 -5.248 1.00 1.76 N ATOM 2490 CZ ARG B 450 -17.710 18.530 -6.003 1.00 2.35 C ATOM 2491 NH1 ARG B 450 -17.744 18.390 -7.301 1.00 2.97 N ATOM 2492 NH2 ARG B 450 -18.037 19.671 -5.461 1.00 2.93 N ATOM 0 H ARG B 450 -16.219 13.568 -1.990 1.00 0.49 H new ATOM 0 HA ARG B 450 -15.361 13.193 -4.733 1.00 0.52 H new ATOM 0 HB2 ARG B 450 -16.782 15.025 -3.368 1.00 0.57 H new ATOM 0 HB3 ARG B 450 -15.214 15.745 -3.060 1.00 0.57 H new ATOM 0 HG2 ARG B 450 -14.859 15.468 -5.680 1.00 0.78 H new ATOM 0 HG3 ARG B 450 -16.605 15.326 -5.729 1.00 0.78 H new ATOM 0 HD2 ARG B 450 -15.575 17.597 -4.051 1.00 1.37 H new ATOM 0 HD3 ARG B 450 -15.284 17.755 -5.772 1.00 1.37 H new ATOM 0 HE ARG B 450 -18.055 16.941 -4.807 1.00 1.76 H new ATOM 0 HH11 ARG B 450 -17.487 17.498 -7.725 1.00 2.97 H new ATOM 0 HH12 ARG B 450 -18.027 19.172 -7.891 1.00 2.97 H new ATOM 0 HH21 ARG B 450 -18.009 19.781 -4.447 1.00 2.93 H new ATOM 0 HH22 ARG B 450 -18.320 20.453 -6.051 1.00 2.93 H new ATOM 2506 N LEU B 451 -13.049 14.133 -2.610 1.00 0.48 N ATOM 2507 CA LEU B 451 -11.569 14.265 -2.495 1.00 0.47 C ATOM 2508 C LEU B 451 -10.878 12.996 -3.005 1.00 0.44 C ATOM 2509 O LEU B 451 -9.776 13.041 -3.516 1.00 0.48 O ATOM 2510 CB LEU B 451 -11.304 14.455 -1.000 1.00 0.46 C ATOM 2511 CG LEU B 451 -11.225 15.948 -0.681 1.00 0.53 C ATOM 2512 CD1 LEU B 451 -12.051 16.248 0.570 1.00 0.92 C ATOM 2513 CD2 LEU B 451 -9.766 16.340 -0.434 1.00 1.04 C ATOM 0 H LEU B 451 -13.567 14.287 -1.745 1.00 0.48 H new ATOM 0 HA LEU B 451 -11.183 15.094 -3.088 1.00 0.47 H new ATOM 0 HB2 LEU B 451 -12.099 13.989 -0.417 1.00 0.46 H new ATOM 0 HB3 LEU B 451 -10.373 13.963 -0.720 1.00 0.46 H new ATOM 0 HG LEU B 451 -11.619 16.520 -1.521 1.00 0.53 H new ATOM 0 HD11 LEU B 451 -11.994 17.313 0.797 1.00 0.92 H new ATOM 0 HD12 LEU B 451 -13.090 15.969 0.395 1.00 0.92 H new ATOM 0 HD13 LEU B 451 -11.658 15.676 1.411 1.00 0.92 H new ATOM 0 HD21 LEU B 451 -9.709 17.404 -0.206 1.00 1.04 H new ATOM 0 HD22 LEU B 451 -9.373 15.768 0.406 1.00 1.04 H new ATOM 0 HD23 LEU B 451 -9.176 16.127 -1.326 1.00 1.04 H new ATOM 2525 N LEU B 452 -11.514 11.865 -2.870 1.00 0.42 N ATOM 2526 CA LEU B 452 -10.887 10.596 -3.346 1.00 0.40 C ATOM 2527 C LEU B 452 -11.589 10.089 -4.610 1.00 0.46 C ATOM 2528 O LEU B 452 -11.398 8.962 -5.023 1.00 0.51 O ATOM 2529 CB LEU B 452 -11.082 9.603 -2.198 1.00 0.37 C ATOM 2530 CG LEU B 452 -10.455 10.160 -0.918 1.00 0.35 C ATOM 2531 CD1 LEU B 452 -11.262 9.684 0.291 1.00 0.31 C ATOM 2532 CD2 LEU B 452 -9.014 9.660 -0.797 1.00 0.43 C ATOM 0 H LEU B 452 -12.439 11.763 -2.452 1.00 0.42 H new ATOM 0 HA LEU B 452 -9.836 10.732 -3.601 1.00 0.40 H new ATOM 0 HB2 LEU B 452 -12.145 9.417 -2.042 1.00 0.37 H new ATOM 0 HB3 LEU B 452 -10.625 8.646 -2.451 1.00 0.37 H new ATOM 0 HG LEU B 452 -10.460 11.249 -0.954 1.00 0.35 H new ATOM 0 HD11 LEU B 452 -10.817 10.080 1.204 1.00 0.31 H new ATOM 0 HD12 LEU B 452 -12.289 10.038 0.205 1.00 0.31 H new ATOM 0 HD13 LEU B 452 -11.255 8.595 0.327 1.00 0.31 H new ATOM 0 HD21 LEU B 452 -8.567 10.056 0.115 1.00 0.43 H new ATOM 0 HD22 LEU B 452 -9.009 8.571 -0.760 1.00 0.43 H new ATOM 0 HD23 LEU B 452 -8.439 9.996 -1.659 1.00 0.43 H new ATOM 2544 N GLY B 453 -12.401 10.905 -5.231 1.00 0.50 N ATOM 2545 CA GLY B 453 -13.110 10.455 -6.464 1.00 0.56 C ATOM 2546 C GLY B 453 -13.866 9.159 -6.171 1.00 0.58 C ATOM 2547 O GLY B 453 -13.857 8.229 -6.952 1.00 0.68 O ATOM 0 H GLY B 453 -12.603 11.861 -4.938 1.00 0.50 H new ATOM 0 HA2 GLY B 453 -13.804 11.226 -6.799 1.00 0.56 H new ATOM 0 HA3 GLY B 453 -12.395 10.297 -7.271 1.00 0.56 H new ATOM 2551 N TRP B 454 -14.518 9.093 -5.045 1.00 0.54 N ATOM 2552 CA TRP B 454 -15.273 7.858 -4.687 1.00 0.60 C ATOM 2553 C TRP B 454 -16.781 8.118 -4.749 1.00 0.69 C ATOM 2554 O TRP B 454 -17.472 7.627 -5.619 1.00 1.16 O ATOM 2555 CB TRP B 454 -14.848 7.543 -3.250 1.00 0.53 C ATOM 2556 CG TRP B 454 -13.602 6.709 -3.247 1.00 0.52 C ATOM 2557 CD1 TRP B 454 -12.680 6.667 -4.242 1.00 0.58 C ATOM 2558 CD2 TRP B 454 -13.124 5.803 -2.211 1.00 0.50 C ATOM 2559 NE1 TRP B 454 -11.670 5.791 -3.885 1.00 0.58 N ATOM 2560 CE2 TRP B 454 -11.893 5.231 -2.644 1.00 0.52 C ATOM 2561 CE3 TRP B 454 -13.634 5.419 -0.943 1.00 0.51 C ATOM 2562 CZ2 TRP B 454 -11.189 4.310 -1.847 1.00 0.52 C ATOM 2563 CZ3 TRP B 454 -12.929 4.492 -0.137 1.00 0.53 C ATOM 2564 CH2 TRP B 454 -11.708 3.939 -0.589 1.00 0.51 C ATOM 0 H TRP B 454 -14.562 9.842 -4.354 1.00 0.54 H new ATOM 0 HA TRP B 454 -15.064 7.035 -5.370 1.00 0.60 H new ATOM 0 HB2 TRP B 454 -14.675 8.470 -2.703 1.00 0.53 H new ATOM 0 HB3 TRP B 454 -15.649 7.014 -2.734 1.00 0.53 H new ATOM 0 HD1 TRP B 454 -12.727 7.227 -5.164 1.00 0.58 H new ATOM 0 HE1 TRP B 454 -10.859 5.584 -4.468 1.00 0.58 H new ATOM 0 HE3 TRP B 454 -14.566 5.836 -0.591 1.00 0.51 H new ATOM 0 HZ2 TRP B 454 -10.257 3.890 -2.196 1.00 0.52 H new ATOM 0 HZ3 TRP B 454 -13.325 4.206 0.826 1.00 0.53 H new ATOM 0 HH2 TRP B 454 -11.173 3.233 0.029 1.00 0.51 H new ATOM 2575 N GLY B 455 -17.294 8.882 -3.823 1.00 0.72 N ATOM 2576 CA GLY B 455 -18.756 9.169 -3.816 1.00 0.72 C ATOM 2577 C GLY B 455 -19.343 8.723 -2.477 1.00 0.70 C ATOM 2578 O GLY B 455 -18.625 8.422 -1.548 1.00 0.64 O ATOM 0 H GLY B 455 -16.763 9.320 -3.070 1.00 0.72 H new ATOM 0 HA2 GLY B 455 -18.932 10.234 -3.968 1.00 0.72 H new ATOM 0 HA3 GLY B 455 -19.247 8.645 -4.636 1.00 0.72 H new ATOM 2582 N ALA B 456 -20.642 8.675 -2.366 1.00 0.77 N ATOM 2583 CA ALA B 456 -21.259 8.242 -1.079 1.00 0.77 C ATOM 2584 C ALA B 456 -21.477 6.726 -1.083 1.00 0.82 C ATOM 2585 O ALA B 456 -21.579 6.103 -0.045 1.00 0.83 O ATOM 2586 CB ALA B 456 -22.597 8.978 -1.014 1.00 0.84 C ATOM 0 H ALA B 456 -21.301 8.915 -3.107 1.00 0.77 H new ATOM 0 HA ALA B 456 -20.628 8.470 -0.220 1.00 0.77 H new ATOM 0 HB1 ALA B 456 -23.114 8.712 -0.092 1.00 0.84 H new ATOM 0 HB2 ALA B 456 -22.422 10.054 -1.034 1.00 0.84 H new ATOM 0 HB3 ALA B 456 -23.210 8.694 -1.869 1.00 0.84 H new ATOM 2592 N ALA B 457 -21.548 6.129 -2.241 1.00 0.90 N ATOM 2593 CA ALA B 457 -21.758 4.655 -2.308 1.00 0.97 C ATOM 2594 C ALA B 457 -20.449 3.923 -2.003 1.00 0.89 C ATOM 2595 O ALA B 457 -20.432 2.924 -1.311 1.00 0.91 O ATOM 2596 CB ALA B 457 -22.203 4.383 -3.745 1.00 1.07 C ATOM 0 H ALA B 457 -21.470 6.598 -3.143 1.00 0.90 H new ATOM 0 HA ALA B 457 -22.493 4.308 -1.582 1.00 0.97 H new ATOM 0 HB1 ALA B 457 -22.379 3.315 -3.876 1.00 1.07 H new ATOM 0 HB2 ALA B 457 -23.123 4.930 -3.951 1.00 1.07 H new ATOM 0 HB3 ALA B 457 -21.425 4.710 -4.435 1.00 1.07 H new ATOM 2602 N THR B 458 -19.352 4.415 -2.511 1.00 0.84 N ATOM 2603 CA THR B 458 -18.045 3.749 -2.247 1.00 0.77 C ATOM 2604 C THR B 458 -17.593 4.029 -0.810 1.00 0.68 C ATOM 2605 O THR B 458 -17.362 3.124 -0.035 1.00 0.67 O ATOM 2606 CB THR B 458 -17.073 4.375 -3.248 1.00 0.76 C ATOM 2607 OG1 THR B 458 -17.562 4.176 -4.568 1.00 0.85 O ATOM 2608 CG2 THR B 458 -15.698 3.719 -3.106 1.00 0.72 C ATOM 0 H THR B 458 -19.304 5.249 -3.097 1.00 0.84 H new ATOM 0 HA THR B 458 -18.101 2.666 -2.358 1.00 0.77 H new ATOM 0 HB THR B 458 -16.985 5.443 -3.050 1.00 0.76 H new ATOM 0 HG1 THR B 458 -16.941 4.578 -5.211 1.00 0.85 H new ATOM 0 HG21 THR B 458 -15.006 4.166 -3.820 1.00 0.72 H new ATOM 0 HG22 THR B 458 -15.324 3.873 -2.094 1.00 0.72 H new ATOM 0 HG23 THR B 458 -15.783 2.650 -3.303 1.00 0.72 H new ATOM 2616 N LEU B 459 -17.467 5.279 -0.450 1.00 0.64 N ATOM 2617 CA LEU B 459 -17.034 5.619 0.938 1.00 0.57 C ATOM 2618 C LEU B 459 -17.895 4.871 1.960 1.00 0.60 C ATOM 2619 O LEU B 459 -17.438 4.511 3.027 1.00 0.58 O ATOM 2620 CB LEU B 459 -17.243 7.129 1.058 1.00 0.56 C ATOM 2621 CG LEU B 459 -15.931 7.794 1.474 1.00 0.47 C ATOM 2622 CD1 LEU B 459 -16.000 9.290 1.178 1.00 0.48 C ATOM 2623 CD2 LEU B 459 -15.706 7.592 2.972 1.00 0.46 C ATOM 0 H LEU B 459 -17.645 6.079 -1.057 1.00 0.64 H new ATOM 0 HA LEU B 459 -15.999 5.335 1.130 1.00 0.57 H new ATOM 0 HB2 LEU B 459 -17.584 7.536 0.106 1.00 0.56 H new ATOM 0 HB3 LEU B 459 -18.020 7.342 1.792 1.00 0.56 H new ATOM 0 HG LEU B 459 -15.109 7.346 0.915 1.00 0.47 H new ATOM 0 HD11 LEU B 459 -15.064 9.763 1.475 1.00 0.48 H new ATOM 0 HD12 LEU B 459 -16.161 9.443 0.111 1.00 0.48 H new ATOM 0 HD13 LEU B 459 -16.824 9.734 1.737 1.00 0.48 H new ATOM 0 HD21 LEU B 459 -14.770 8.067 3.267 1.00 0.46 H new ATOM 0 HD22 LEU B 459 -16.530 8.039 3.527 1.00 0.46 H new ATOM 0 HD23 LEU B 459 -15.657 6.526 3.192 1.00 0.46 H new ATOM 2635 N THR B 460 -19.138 4.631 1.640 1.00 0.68 N ATOM 2636 CA THR B 460 -20.023 3.902 2.592 1.00 0.74 C ATOM 2637 C THR B 460 -19.842 2.393 2.418 1.00 0.76 C ATOM 2638 O THR B 460 -19.646 1.668 3.374 1.00 0.75 O ATOM 2639 CB THR B 460 -21.446 4.320 2.213 1.00 0.83 C ATOM 2640 OG1 THR B 460 -21.597 5.717 2.422 1.00 0.82 O ATOM 2641 CG2 THR B 460 -22.451 3.560 3.080 1.00 0.92 C ATOM 0 H THR B 460 -19.578 4.908 0.762 1.00 0.68 H new ATOM 0 HA THR B 460 -19.797 4.135 3.632 1.00 0.74 H new ATOM 0 HB THR B 460 -21.627 4.087 1.164 1.00 0.83 H new ATOM 0 HG1 THR B 460 -21.309 6.201 1.620 1.00 0.82 H new ATOM 0 HG21 THR B 460 -23.464 3.858 2.809 1.00 0.92 H new ATOM 0 HG22 THR B 460 -22.333 2.488 2.919 1.00 0.92 H new ATOM 0 HG23 THR B 460 -22.273 3.791 4.130 1.00 0.92 H new ATOM 2649 N ALA B 461 -19.901 1.913 1.206 1.00 0.81 N ATOM 2650 CA ALA B 461 -19.725 0.452 0.973 1.00 0.85 C ATOM 2651 C ALA B 461 -18.318 0.024 1.397 1.00 0.79 C ATOM 2652 O ALA B 461 -18.124 -1.031 1.968 1.00 0.83 O ATOM 2653 CB ALA B 461 -19.912 0.264 -0.532 1.00 0.92 C ATOM 0 H ALA B 461 -20.064 2.470 0.367 1.00 0.81 H new ATOM 0 HA ALA B 461 -20.431 -0.149 1.546 1.00 0.85 H new ATOM 0 HB1 ALA B 461 -19.797 -0.790 -0.784 1.00 0.92 H new ATOM 0 HB2 ALA B 461 -20.909 0.599 -0.819 1.00 0.92 H new ATOM 0 HB3 ALA B 461 -19.164 0.849 -1.067 1.00 0.92 H new ATOM 2659 N LYS B 462 -17.334 0.838 1.125 1.00 0.72 N ATOM 2660 CA LYS B 462 -15.942 0.481 1.516 1.00 0.68 C ATOM 2661 C LYS B 462 -15.818 0.452 3.041 1.00 0.65 C ATOM 2662 O LYS B 462 -14.967 -0.216 3.593 1.00 0.66 O ATOM 2663 CB LYS B 462 -15.066 1.590 0.927 1.00 0.66 C ATOM 2664 CG LYS B 462 -14.920 1.378 -0.582 1.00 0.99 C ATOM 2665 CD LYS B 462 -13.547 0.773 -0.883 1.00 0.91 C ATOM 2666 CE LYS B 462 -13.488 0.344 -2.351 1.00 1.31 C ATOM 2667 NZ LYS B 462 -12.521 -0.788 -2.383 1.00 1.39 N ATOM 0 H LYS B 462 -17.435 1.734 0.649 1.00 0.72 H new ATOM 0 HA LYS B 462 -15.649 -0.504 1.152 1.00 0.68 H new ATOM 0 HB2 LYS B 462 -15.511 2.565 1.127 1.00 0.66 H new ATOM 0 HB3 LYS B 462 -14.085 1.584 1.402 1.00 0.66 H new ATOM 0 HG2 LYS B 462 -15.707 0.717 -0.945 1.00 0.99 H new ATOM 0 HG3 LYS B 462 -15.034 2.327 -1.106 1.00 0.99 H new ATOM 0 HD2 LYS B 462 -12.763 1.501 -0.674 1.00 0.91 H new ATOM 0 HD3 LYS B 462 -13.366 -0.085 -0.235 1.00 0.91 H new ATOM 0 HE2 LYS B 462 -14.469 0.035 -2.712 1.00 1.31 H new ATOM 0 HE3 LYS B 462 -13.157 1.164 -2.989 1.00 1.31 H new ATOM 0 HZ1 LYS B 462 -12.427 -1.137 -3.358 1.00 1.39 H new ATOM 0 HZ2 LYS B 462 -11.594 -0.463 -2.041 1.00 1.39 H new ATOM 0 HZ3 LYS B 462 -12.865 -1.556 -1.772 1.00 1.39 H new ATOM 2681 N LEU B 463 -16.667 1.171 3.726 1.00 0.65 N ATOM 2682 CA LEU B 463 -16.602 1.182 5.215 1.00 0.65 C ATOM 2683 C LEU B 463 -17.093 -0.157 5.772 1.00 0.68 C ATOM 2684 O LEU B 463 -16.531 -0.697 6.705 1.00 0.70 O ATOM 2685 CB LEU B 463 -17.536 2.315 5.643 1.00 0.68 C ATOM 2686 CG LEU B 463 -16.988 2.981 6.906 1.00 0.81 C ATOM 2687 CD1 LEU B 463 -16.879 4.490 6.683 1.00 0.99 C ATOM 2688 CD2 LEU B 463 -17.936 2.708 8.076 1.00 0.99 C ATOM 0 H LEU B 463 -17.401 1.750 3.319 1.00 0.65 H new ATOM 0 HA LEU B 463 -15.587 1.329 5.585 1.00 0.65 H new ATOM 0 HB2 LEU B 463 -17.625 3.049 4.842 1.00 0.68 H new ATOM 0 HB3 LEU B 463 -18.536 1.924 5.830 1.00 0.68 H new ATOM 0 HG LEU B 463 -16.002 2.575 7.131 1.00 0.81 H new ATOM 0 HD11 LEU B 463 -16.488 4.964 7.584 1.00 0.99 H new ATOM 0 HD12 LEU B 463 -16.206 4.687 5.848 1.00 0.99 H new ATOM 0 HD13 LEU B 463 -17.865 4.897 6.458 1.00 0.99 H new ATOM 0 HD21 LEU B 463 -17.547 3.182 8.977 1.00 0.99 H new ATOM 0 HD22 LEU B 463 -18.921 3.115 7.848 1.00 0.99 H new ATOM 0 HD23 LEU B 463 -18.015 1.633 8.237 1.00 0.99 H new ATOM 2700 N LYS B 464 -18.139 -0.698 5.207 1.00 0.72 N ATOM 2701 CA LYS B 464 -18.666 -2.001 5.703 1.00 0.77 C ATOM 2702 C LYS B 464 -18.002 -3.162 4.958 1.00 0.76 C ATOM 2703 O LYS B 464 -17.953 -4.275 5.442 1.00 0.82 O ATOM 2704 CB LYS B 464 -20.165 -1.959 5.405 1.00 0.85 C ATOM 2705 CG LYS B 464 -20.940 -1.773 6.710 1.00 1.20 C ATOM 2706 CD LYS B 464 -22.298 -2.469 6.601 1.00 1.62 C ATOM 2707 CE LYS B 464 -22.482 -3.423 7.783 1.00 2.25 C ATOM 2708 NZ LYS B 464 -23.658 -2.891 8.527 1.00 2.66 N ATOM 0 H LYS B 464 -18.651 -0.293 4.423 1.00 0.72 H new ATOM 0 HA LYS B 464 -18.464 -2.151 6.764 1.00 0.77 H new ATOM 0 HB2 LYS B 464 -20.387 -1.142 4.718 1.00 0.85 H new ATOM 0 HB3 LYS B 464 -20.475 -2.882 4.914 1.00 0.85 H new ATOM 0 HG2 LYS B 464 -20.373 -2.187 7.544 1.00 1.20 H new ATOM 0 HG3 LYS B 464 -21.079 -0.711 6.915 1.00 1.20 H new ATOM 0 HD2 LYS B 464 -23.098 -1.728 6.590 1.00 1.62 H new ATOM 0 HD3 LYS B 464 -22.361 -3.020 5.663 1.00 1.62 H new ATOM 0 HE2 LYS B 464 -22.658 -4.443 7.443 1.00 2.25 H new ATOM 0 HE3 LYS B 464 -21.593 -3.446 8.414 1.00 2.25 H new ATOM 0 HZ1 LYS B 464 -23.847 -3.493 9.353 1.00 2.66 H new ATOM 0 HZ2 LYS B 464 -23.458 -1.921 8.844 1.00 2.66 H new ATOM 0 HZ3 LYS B 464 -24.490 -2.887 7.904 1.00 2.66 H new ATOM 2722 N GLU B 465 -17.489 -2.912 3.783 1.00 0.73 N ATOM 2723 CA GLU B 465 -16.830 -4.003 3.011 1.00 0.76 C ATOM 2724 C GLU B 465 -15.673 -4.599 3.817 1.00 0.69 C ATOM 2725 O GLU B 465 -15.666 -5.770 4.138 1.00 0.85 O ATOM 2726 CB GLU B 465 -16.308 -3.331 1.740 1.00 0.79 C ATOM 2727 CG GLU B 465 -17.424 -3.280 0.695 1.00 1.12 C ATOM 2728 CD GLU B 465 -17.251 -4.432 -0.297 1.00 1.42 C ATOM 2729 OE1 GLU B 465 -16.912 -5.519 0.141 1.00 1.94 O ATOM 2730 OE2 GLU B 465 -17.461 -4.207 -1.477 1.00 2.03 O ATOM 0 H GLU B 465 -17.498 -2.000 3.326 1.00 0.73 H new ATOM 0 HA GLU B 465 -17.515 -4.821 2.788 1.00 0.76 H new ATOM 0 HB2 GLU B 465 -15.960 -2.323 1.965 1.00 0.79 H new ATOM 0 HB3 GLU B 465 -15.454 -3.883 1.349 1.00 0.79 H new ATOM 0 HG2 GLU B 465 -18.396 -3.350 1.183 1.00 1.12 H new ATOM 0 HG3 GLU B 465 -17.399 -2.326 0.168 1.00 1.12 H new ATOM 2737 N LEU B 466 -14.694 -3.801 4.146 1.00 0.56 N ATOM 2738 CA LEU B 466 -13.540 -4.323 4.932 1.00 0.59 C ATOM 2739 C LEU B 466 -14.030 -4.921 6.253 1.00 0.70 C ATOM 2740 O LEU B 466 -13.384 -5.767 6.839 1.00 0.81 O ATOM 2741 CB LEU B 466 -12.654 -3.105 5.190 1.00 0.56 C ATOM 2742 CG LEU B 466 -12.158 -2.538 3.859 1.00 0.54 C ATOM 2743 CD1 LEU B 466 -11.747 -1.077 4.049 1.00 0.62 C ATOM 2744 CD2 LEU B 466 -10.952 -3.348 3.379 1.00 0.52 C ATOM 0 H LEU B 466 -14.643 -2.811 3.905 1.00 0.56 H new ATOM 0 HA LEU B 466 -13.003 -5.112 4.406 1.00 0.59 H new ATOM 0 HB2 LEU B 466 -13.214 -2.345 5.734 1.00 0.56 H new ATOM 0 HB3 LEU B 466 -11.806 -3.386 5.815 1.00 0.56 H new ATOM 0 HG LEU B 466 -12.955 -2.598 3.118 1.00 0.54 H new ATOM 0 HD11 LEU B 466 -11.393 -0.672 3.101 1.00 0.62 H new ATOM 0 HD12 LEU B 466 -12.605 -0.499 4.393 1.00 0.62 H new ATOM 0 HD13 LEU B 466 -10.949 -1.017 4.789 1.00 0.62 H new ATOM 0 HD21 LEU B 466 -10.597 -2.945 2.430 1.00 0.52 H new ATOM 0 HD22 LEU B 466 -10.155 -3.287 4.120 1.00 0.52 H new ATOM 0 HD23 LEU B 466 -11.244 -4.390 3.244 1.00 0.52 H new ATOM 2756 N GLY B 467 -15.166 -4.487 6.725 1.00 0.77 N ATOM 2757 CA GLY B 467 -15.697 -5.030 8.008 1.00 0.97 C ATOM 2758 C GLY B 467 -16.405 -6.359 7.746 1.00 1.08 C ATOM 2759 O GLY B 467 -16.396 -7.253 8.570 1.00 1.38 O ATOM 0 H GLY B 467 -15.750 -3.780 6.278 1.00 0.77 H new ATOM 0 HA2 GLY B 467 -14.883 -5.173 8.719 1.00 0.97 H new ATOM 0 HA3 GLY B 467 -16.390 -4.319 8.457 1.00 0.97 H new