USER MOD reduce.3.24.130724 H: found=0, std=0, add=1054, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1050 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 404 THR OG1 : rot 180:sc= 0 USER MOD Single : A 408 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 416 SER OG : rot 180:sc= 0 USER MOD Single : A 418 HIS : no HD1:sc= -2.22! C(o=-2.2!,f=-4.8!) USER MOD Single : A 419 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.6) USER MOD Single : A 420 ASN : amide:sc=-0.00485 X(o=-0.0048,f=-0.11) USER MOD Single : A 423 SER OG : rot 180:sc= 0 USER MOD Single : A 426 GLN : amide:sc= -0.84 K(o=-0.84,f=-6.2!) USER MOD Single : A 432 THR OG1 : rot 180:sc= 0.0139 USER MOD Single : A 435 THR OG1 : rot 85:sc= 0.467 USER MOD Single : A 436 THR OG1 : rot 104:sc= 1.07 USER MOD Single : A 440 HIS :FLIP no HD1:sc= -1.02 F(o=-2.6,f=-1) USER MOD Single : A 441 THR OG1 : rot 71:sc= 0.493 USER MOD Single : A 442 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 444 HIS : no HD1:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 445 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 446 GLN : amide:sc= -0.273 K(o=-0.27,f=-2.8!) USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 460 THR OG1 : rot 95:sc= 1.17 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= 0.0035 USER MOD Single : B 408 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : B 416 SER OG : rot 180:sc= 0 USER MOD Single : B 418 HIS : no HD1:sc= -1.97! C(o=-2!,f=-4.7!) USER MOD Single : B 419 GLN : amide:sc= -0.0797 X(o=-0.08,f=-0.47) USER MOD Single : B 420 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : B 423 SER OG : rot 180:sc= 0 USER MOD Single : B 426 GLN : amide:sc= -0.858 K(o=-0.86,f=-6.5!) USER MOD Single : B 432 THR OG1 : rot 180:sc= 0.0201 USER MOD Single : B 435 THR OG1 : rot 86:sc= 0.486 USER MOD Single : B 436 THR OG1 : rot 112:sc= 1.06 USER MOD Single : B 440 HIS :FLIP no HD1:sc= -1.08 F(o=-2.7,f=-1.1) USER MOD Single : B 441 THR OG1 : rot 71:sc= 0.494 USER MOD Single : B 442 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 444 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : B 445 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 446 GLN : amide:sc= -0.288 K(o=-0.29,f=-3!) USER MOD Single : B 458 THR OG1 : rot 180:sc= 0 USER MOD Single : B 460 THR OG1 : rot 99:sc= 1.19 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 5.638 3.194 3.776 1.00 0.95 N ATOM 326 CA TRP A 402 4.466 3.416 2.877 1.00 0.86 C ATOM 327 C TRP A 402 3.528 4.493 3.432 1.00 0.79 C ATOM 328 O TRP A 402 3.327 5.519 2.820 1.00 0.71 O ATOM 329 CB TRP A 402 3.751 2.070 2.835 1.00 0.96 C ATOM 330 CG TRP A 402 3.386 1.754 1.427 1.00 0.84 C ATOM 331 CD1 TRP A 402 4.235 1.244 0.508 1.00 0.94 C ATOM 332 CD2 TRP A 402 2.105 1.926 0.759 1.00 0.76 C ATOM 333 NE1 TRP A 402 3.557 1.081 -0.689 1.00 1.00 N ATOM 334 CE2 TRP A 402 2.239 1.487 -0.590 1.00 0.83 C ATOM 335 CE3 TRP A 402 0.842 2.413 1.185 1.00 0.78 C ATOM 336 CZ2 TRP A 402 1.157 1.531 -1.487 1.00 0.83 C ATOM 337 CZ3 TRP A 402 -0.249 2.459 0.285 1.00 0.72 C ATOM 338 CH2 TRP A 402 -0.091 2.018 -1.049 1.00 0.69 C ATOM 0 HA TRP A 402 4.778 3.762 1.891 1.00 0.86 H new ATOM 0 HB2 TRP A 402 4.395 1.290 3.240 1.00 0.96 H new ATOM 0 HB3 TRP A 402 2.857 2.100 3.457 1.00 0.96 H new ATOM 0 HD1 TRP A 402 5.274 1.003 0.679 1.00 0.94 H new ATOM 0 HE1 TRP A 402 3.978 0.707 -1.539 1.00 1.00 H new ATOM 0 HE3 TRP A 402 0.713 2.751 2.203 1.00 0.78 H new ATOM 0 HZ2 TRP A 402 1.282 1.194 -2.505 1.00 0.83 H new ATOM 0 HZ3 TRP A 402 -1.206 2.832 0.618 1.00 0.72 H new ATOM 0 HH2 TRP A 402 -0.927 2.054 -1.732 1.00 0.69 H new ATOM 349 N ALA A 403 2.945 4.260 4.580 1.00 0.85 N ATOM 350 CA ALA A 403 2.007 5.269 5.165 1.00 0.85 C ATOM 351 C ALA A 403 2.614 6.674 5.104 1.00 0.80 C ATOM 352 O ALA A 403 1.980 7.612 4.667 1.00 0.76 O ATOM 353 CB ALA A 403 1.810 4.832 6.617 1.00 0.99 C ATOM 0 H ALA A 403 3.077 3.416 5.138 1.00 0.85 H new ATOM 0 HA ALA A 403 1.065 5.314 4.618 1.00 0.85 H new ATOM 0 HB1 ALA A 403 1.132 5.524 7.116 1.00 0.99 H new ATOM 0 HB2 ALA A 403 1.386 3.828 6.641 1.00 0.99 H new ATOM 0 HB3 ALA A 403 2.771 4.832 7.131 1.00 0.99 H new ATOM 359 N THR A 404 3.836 6.830 5.529 1.00 0.82 N ATOM 360 CA THR A 404 4.467 8.178 5.475 1.00 0.81 C ATOM 361 C THR A 404 4.440 8.696 4.036 1.00 0.70 C ATOM 362 O THR A 404 4.232 9.867 3.786 1.00 0.68 O ATOM 363 CB THR A 404 5.906 7.967 5.947 1.00 0.89 C ATOM 364 OG1 THR A 404 5.898 7.352 7.228 1.00 1.07 O ATOM 365 CG2 THR A 404 6.623 9.316 6.030 1.00 0.89 C ATOM 0 H THR A 404 4.423 6.087 5.909 1.00 0.82 H new ATOM 0 HA THR A 404 3.948 8.910 6.094 1.00 0.81 H new ATOM 0 HB THR A 404 6.429 7.325 5.239 1.00 0.89 H new ATOM 0 HG1 THR A 404 6.820 7.215 7.531 1.00 1.07 H new ATOM 0 HG21 THR A 404 7.648 9.163 6.367 1.00 0.89 H new ATOM 0 HG22 THR A 404 6.630 9.785 5.046 1.00 0.89 H new ATOM 0 HG23 THR A 404 6.102 9.962 6.736 1.00 0.89 H new ATOM 373 N LEU A 405 4.641 7.823 3.086 1.00 0.67 N ATOM 374 CA LEU A 405 4.618 8.250 1.659 1.00 0.61 C ATOM 375 C LEU A 405 3.174 8.509 1.221 1.00 0.53 C ATOM 376 O LEU A 405 2.914 9.315 0.350 1.00 0.52 O ATOM 377 CB LEU A 405 5.224 7.066 0.890 1.00 0.67 C ATOM 378 CG LEU A 405 5.357 7.386 -0.612 1.00 0.65 C ATOM 379 CD1 LEU A 405 3.984 7.301 -1.283 1.00 0.57 C ATOM 380 CD2 LEU A 405 5.938 8.792 -0.813 1.00 0.64 C ATOM 0 H LEU A 405 4.820 6.830 3.238 1.00 0.67 H new ATOM 0 HA LEU A 405 5.172 9.172 1.481 1.00 0.61 H new ATOM 0 HB2 LEU A 405 6.204 6.825 1.301 1.00 0.67 H new ATOM 0 HB3 LEU A 405 4.597 6.184 1.022 1.00 0.67 H new ATOM 0 HG LEU A 405 6.031 6.658 -1.063 1.00 0.65 H new ATOM 0 HD11 LEU A 405 4.083 7.528 -2.344 1.00 0.57 H new ATOM 0 HD12 LEU A 405 3.582 6.295 -1.163 1.00 0.57 H new ATOM 0 HD13 LEU A 405 3.308 8.019 -0.820 1.00 0.57 H new ATOM 0 HD21 LEU A 405 6.025 9.001 -1.879 1.00 0.64 H new ATOM 0 HD22 LEU A 405 5.279 9.527 -0.352 1.00 0.64 H new ATOM 0 HD23 LEU A 405 6.924 8.848 -0.351 1.00 0.64 H new ATOM 392 N LEU A 406 2.238 7.827 1.820 1.00 0.53 N ATOM 393 CA LEU A 406 0.810 8.023 1.446 1.00 0.50 C ATOM 394 C LEU A 406 0.268 9.301 2.090 1.00 0.49 C ATOM 395 O LEU A 406 -0.575 9.978 1.534 1.00 0.45 O ATOM 396 CB LEU A 406 0.088 6.788 1.991 1.00 0.58 C ATOM 397 CG LEU A 406 -1.100 6.445 1.087 1.00 0.60 C ATOM 398 CD1 LEU A 406 -0.603 6.157 -0.331 1.00 0.94 C ATOM 399 CD2 LEU A 406 -1.814 5.206 1.627 1.00 1.02 C ATOM 0 H LEU A 406 2.402 7.140 2.556 1.00 0.53 H new ATOM 0 HA LEU A 406 0.671 8.131 0.370 1.00 0.50 H new ATOM 0 HB2 LEU A 406 0.776 5.944 2.040 1.00 0.58 H new ATOM 0 HB3 LEU A 406 -0.258 6.976 3.007 1.00 0.58 H new ATOM 0 HG LEU A 406 -1.790 7.289 1.069 1.00 0.60 H new ATOM 0 HD11 LEU A 406 -1.451 5.913 -0.971 1.00 0.94 H new ATOM 0 HD12 LEU A 406 -0.093 7.037 -0.723 1.00 0.94 H new ATOM 0 HD13 LEU A 406 0.089 5.315 -0.310 1.00 0.94 H new ATOM 0 HD21 LEU A 406 -2.659 4.963 0.983 1.00 1.02 H new ATOM 0 HD22 LEU A 406 -1.120 4.366 1.647 1.00 1.02 H new ATOM 0 HD23 LEU A 406 -2.173 5.404 2.637 1.00 1.02 H new ATOM 411 N ALA A 407 0.750 9.642 3.253 1.00 0.56 N ATOM 412 CA ALA A 407 0.265 10.879 3.926 1.00 0.59 C ATOM 413 C ALA A 407 0.843 12.110 3.223 1.00 0.57 C ATOM 414 O ALA A 407 0.187 13.124 3.084 1.00 0.61 O ATOM 415 CB ALA A 407 0.784 10.781 5.360 1.00 0.70 C ATOM 0 H ALA A 407 1.459 9.118 3.766 1.00 0.56 H new ATOM 0 HA ALA A 407 -0.821 10.973 3.898 1.00 0.59 H new ATOM 0 HB1 ALA A 407 0.467 11.659 5.922 1.00 0.70 H new ATOM 0 HB2 ALA A 407 0.383 9.884 5.832 1.00 0.70 H new ATOM 0 HB3 ALA A 407 1.873 10.730 5.350 1.00 0.70 H new ATOM 421 N GLN A 408 2.065 12.027 2.772 1.00 0.57 N ATOM 422 CA GLN A 408 2.684 13.186 2.072 1.00 0.57 C ATOM 423 C GLN A 408 2.243 13.204 0.606 1.00 0.50 C ATOM 424 O GLN A 408 2.046 14.249 0.018 1.00 0.50 O ATOM 425 CB GLN A 408 4.192 12.956 2.179 1.00 0.62 C ATOM 426 CG GLN A 408 4.698 13.486 3.523 1.00 0.75 C ATOM 427 CD GLN A 408 6.024 14.219 3.315 1.00 0.78 C ATOM 428 OE1 GLN A 408 6.888 13.746 2.603 1.00 1.29 O ATOM 429 NE2 GLN A 408 6.224 15.362 3.910 1.00 1.46 N ATOM 0 H GLN A 408 2.662 11.204 2.859 1.00 0.57 H new ATOM 0 HA GLN A 408 2.390 14.141 2.507 1.00 0.57 H new ATOM 0 HB2 GLN A 408 4.415 11.893 2.088 1.00 0.62 H new ATOM 0 HB3 GLN A 408 4.706 13.460 1.361 1.00 0.62 H new ATOM 0 HG2 GLN A 408 3.962 14.161 3.960 1.00 0.75 H new ATOM 0 HG3 GLN A 408 4.832 12.662 4.224 1.00 0.75 H new ATOM 0 HE21 GLN A 408 5.499 15.760 4.508 1.00 1.46 H new ATOM 0 HE22 GLN A 408 7.105 15.859 3.778 1.00 1.46 H new ATOM 438 N TRP A 409 2.083 12.052 0.015 1.00 0.46 N ATOM 439 CA TRP A 409 1.650 11.994 -1.411 1.00 0.43 C ATOM 440 C TRP A 409 0.213 12.516 -1.537 1.00 0.40 C ATOM 441 O TRP A 409 -0.070 13.403 -2.317 1.00 0.41 O ATOM 442 CB TRP A 409 1.741 10.505 -1.780 1.00 0.43 C ATOM 443 CG TRP A 409 1.017 10.238 -3.064 1.00 0.42 C ATOM 444 CD1 TRP A 409 1.444 10.606 -4.295 1.00 0.50 C ATOM 445 CD2 TRP A 409 -0.252 9.551 -3.257 1.00 0.40 C ATOM 446 NE1 TRP A 409 0.516 10.191 -5.236 1.00 0.53 N ATOM 447 CE2 TRP A 409 -0.549 9.536 -4.650 1.00 0.47 C ATOM 448 CE3 TRP A 409 -1.174 8.943 -2.365 1.00 0.39 C ATOM 449 CZ2 TRP A 409 -1.721 8.935 -5.146 1.00 0.50 C ATOM 450 CZ3 TRP A 409 -2.354 8.337 -2.858 1.00 0.43 C ATOM 451 CH2 TRP A 409 -2.627 8.333 -4.247 1.00 0.48 C ATOM 0 H TRP A 409 2.234 11.146 0.459 1.00 0.46 H new ATOM 0 HA TRP A 409 2.262 12.608 -2.071 1.00 0.43 H new ATOM 0 HB2 TRP A 409 2.786 10.211 -1.877 1.00 0.43 H new ATOM 0 HB3 TRP A 409 1.313 9.899 -0.981 1.00 0.43 H new ATOM 0 HD1 TRP A 409 2.360 11.137 -4.509 1.00 0.50 H new ATOM 0 HE1 TRP A 409 0.608 10.350 -6.239 1.00 0.53 H new ATOM 0 HE3 TRP A 409 -0.974 8.943 -1.304 1.00 0.39 H new ATOM 0 HZ2 TRP A 409 -1.925 8.935 -6.206 1.00 0.50 H new ATOM 0 HZ3 TRP A 409 -3.049 7.876 -2.172 1.00 0.43 H new ATOM 0 HH2 TRP A 409 -3.529 7.869 -4.619 1.00 0.48 H new ATOM 462 N ALA A 410 -0.696 11.968 -0.776 1.00 0.42 N ATOM 463 CA ALA A 410 -2.111 12.429 -0.855 1.00 0.44 C ATOM 464 C ALA A 410 -2.199 13.929 -0.562 1.00 0.45 C ATOM 465 O ALA A 410 -3.036 14.627 -1.099 1.00 0.47 O ATOM 466 CB ALA A 410 -2.848 11.625 0.216 1.00 0.51 C ATOM 0 H ALA A 410 -0.519 11.222 -0.104 1.00 0.42 H new ATOM 0 HA ALA A 410 -2.540 12.278 -1.845 1.00 0.44 H new ATOM 0 HB1 ALA A 410 -3.901 11.907 0.222 1.00 0.51 H new ATOM 0 HB2 ALA A 410 -2.759 10.561 -0.002 1.00 0.51 H new ATOM 0 HB3 ALA A 410 -2.411 11.833 1.193 1.00 0.51 H new ATOM 472 N ASP A 411 -1.339 14.430 0.281 1.00 0.48 N ATOM 473 CA ASP A 411 -1.375 15.886 0.600 1.00 0.53 C ATOM 474 C ASP A 411 -0.753 16.686 -0.546 1.00 0.53 C ATOM 475 O ASP A 411 -1.272 17.703 -0.960 1.00 0.58 O ATOM 476 CB ASP A 411 -0.543 16.036 1.876 1.00 0.60 C ATOM 477 CG ASP A 411 -1.459 15.924 3.097 1.00 1.03 C ATOM 478 OD1 ASP A 411 -2.619 16.286 2.978 1.00 1.51 O ATOM 479 OD2 ASP A 411 -0.985 15.480 4.129 1.00 1.78 O ATOM 0 H ASP A 411 -0.615 13.897 0.762 1.00 0.48 H new ATOM 0 HA ASP A 411 -2.391 16.257 0.735 1.00 0.53 H new ATOM 0 HB2 ASP A 411 0.227 15.266 1.914 1.00 0.60 H new ATOM 0 HB3 ASP A 411 -0.031 16.998 1.879 1.00 0.60 H new ATOM 484 N ARG A 412 0.354 16.230 -1.068 1.00 0.51 N ATOM 485 CA ARG A 412 0.999 16.963 -2.194 1.00 0.56 C ATOM 486 C ARG A 412 0.011 17.097 -3.352 1.00 0.55 C ATOM 487 O ARG A 412 0.025 18.064 -4.089 1.00 0.63 O ATOM 488 CB ARG A 412 2.193 16.098 -2.601 1.00 0.58 C ATOM 489 CG ARG A 412 3.443 16.575 -1.860 1.00 0.96 C ATOM 490 CD ARG A 412 4.654 16.490 -2.792 1.00 1.50 C ATOM 491 NE ARG A 412 5.274 17.843 -2.740 1.00 1.90 N ATOM 492 CZ ARG A 412 6.564 17.976 -2.881 1.00 2.41 C ATOM 493 NH1 ARG A 412 7.114 17.805 -4.052 1.00 3.02 N ATOM 494 NH2 ARG A 412 7.305 18.279 -1.851 1.00 2.89 N ATOM 0 H ARG A 412 0.838 15.385 -0.764 1.00 0.51 H new ATOM 0 HA ARG A 412 1.309 17.970 -1.915 1.00 0.56 H new ATOM 0 HB2 ARG A 412 1.995 15.052 -2.367 1.00 0.58 H new ATOM 0 HB3 ARG A 412 2.350 16.159 -3.678 1.00 0.58 H new ATOM 0 HG2 ARG A 412 3.306 17.601 -1.517 1.00 0.96 H new ATOM 0 HG3 ARG A 412 3.609 15.962 -0.974 1.00 0.96 H new ATOM 0 HD2 ARG A 412 5.353 15.722 -2.462 1.00 1.50 H new ATOM 0 HD3 ARG A 412 4.354 16.232 -3.808 1.00 1.50 H new ATOM 0 HE ARG A 412 4.690 18.666 -2.594 1.00 1.90 H new ATOM 0 HH11 ARG A 412 6.535 17.567 -4.857 1.00 3.02 H new ATOM 0 HH12 ARG A 412 8.123 17.909 -4.162 1.00 3.02 H new ATOM 0 HH21 ARG A 412 6.876 18.412 -0.935 1.00 2.89 H new ATOM 0 HH22 ARG A 412 8.314 18.383 -1.961 1.00 2.89 H new ATOM 508 N ALA A 413 -0.852 16.132 -3.513 1.00 0.50 N ATOM 509 CA ALA A 413 -1.851 16.196 -4.614 1.00 0.53 C ATOM 510 C ALA A 413 -3.004 17.121 -4.216 1.00 0.57 C ATOM 511 O ALA A 413 -3.515 17.878 -5.017 1.00 0.66 O ATOM 512 CB ALA A 413 -2.347 14.759 -4.780 1.00 0.53 C ATOM 0 H ALA A 413 -0.908 15.299 -2.927 1.00 0.50 H new ATOM 0 HA ALA A 413 -1.429 16.589 -5.539 1.00 0.53 H new ATOM 0 HB1 ALA A 413 -3.090 14.720 -5.577 1.00 0.53 H new ATOM 0 HB2 ALA A 413 -1.508 14.112 -5.035 1.00 0.53 H new ATOM 0 HB3 ALA A 413 -2.797 14.419 -3.847 1.00 0.53 H new ATOM 518 N LEU A 414 -3.415 17.064 -2.977 1.00 0.54 N ATOM 519 CA LEU A 414 -4.529 17.936 -2.516 1.00 0.61 C ATOM 520 C LEU A 414 -4.107 19.409 -2.549 1.00 0.71 C ATOM 521 O LEU A 414 -4.932 20.300 -2.541 1.00 0.82 O ATOM 522 CB LEU A 414 -4.805 17.489 -1.083 1.00 0.63 C ATOM 523 CG LEU A 414 -6.111 16.697 -1.044 1.00 0.71 C ATOM 524 CD1 LEU A 414 -6.026 15.623 0.039 1.00 1.11 C ATOM 525 CD2 LEU A 414 -7.266 17.647 -0.732 1.00 1.04 C ATOM 0 H LEU A 414 -3.024 16.448 -2.264 1.00 0.54 H new ATOM 0 HA LEU A 414 -5.411 17.850 -3.151 1.00 0.61 H new ATOM 0 HB2 LEU A 414 -3.983 16.875 -0.717 1.00 0.63 H new ATOM 0 HB3 LEU A 414 -4.872 18.356 -0.426 1.00 0.63 H new ATOM 0 HG LEU A 414 -6.279 16.221 -2.010 1.00 0.71 H new ATOM 0 HD11 LEU A 414 -6.958 15.059 0.066 1.00 1.11 H new ATOM 0 HD12 LEU A 414 -5.199 14.948 -0.182 1.00 1.11 H new ATOM 0 HD13 LEU A 414 -5.860 16.095 1.007 1.00 1.11 H new ATOM 0 HD21 LEU A 414 -8.200 17.087 -0.703 1.00 1.04 H new ATOM 0 HD22 LEU A 414 -7.097 18.120 0.235 1.00 1.04 H new ATOM 0 HD23 LEU A 414 -7.326 18.413 -1.505 1.00 1.04 H new ATOM 537 N ARG A 415 -2.828 19.672 -2.584 1.00 0.73 N ATOM 538 CA ARG A 415 -2.359 21.087 -2.614 1.00 0.86 C ATOM 539 C ARG A 415 -2.604 21.699 -3.995 1.00 0.92 C ATOM 540 O ARG A 415 -2.821 22.886 -4.131 1.00 1.26 O ATOM 541 CB ARG A 415 -0.861 21.014 -2.320 1.00 1.01 C ATOM 542 CG ARG A 415 -0.635 21.039 -0.807 1.00 1.40 C ATOM 543 CD ARG A 415 0.310 22.188 -0.450 1.00 1.61 C ATOM 544 NE ARG A 415 0.894 21.808 0.866 1.00 2.27 N ATOM 545 CZ ARG A 415 2.176 21.588 0.973 1.00 2.92 C ATOM 546 NH1 ARG A 415 3.028 22.452 0.493 1.00 3.70 N ATOM 547 NH2 ARG A 415 2.605 20.504 1.560 1.00 3.32 N ATOM 0 H ARG A 415 -2.089 18.969 -2.593 1.00 0.73 H new ATOM 0 HA ARG A 415 -2.887 21.711 -1.893 1.00 0.86 H new ATOM 0 HB2 ARG A 415 -0.440 20.103 -2.746 1.00 1.01 H new ATOM 0 HB3 ARG A 415 -0.346 21.853 -2.789 1.00 1.01 H new ATOM 0 HG2 ARG A 415 -1.586 21.162 -0.289 1.00 1.40 H new ATOM 0 HG3 ARG A 415 -0.212 20.090 -0.476 1.00 1.40 H new ATOM 0 HD2 ARG A 415 1.086 22.311 -1.206 1.00 1.61 H new ATOM 0 HD3 ARG A 415 -0.226 23.135 -0.386 1.00 1.61 H new ATOM 0 HE ARG A 415 0.292 21.720 1.684 1.00 2.27 H new ATOM 0 HH11 ARG A 415 2.692 23.299 0.034 1.00 3.70 H new ATOM 0 HH12 ARG A 415 4.030 22.280 0.576 1.00 3.70 H new ATOM 0 HH21 ARG A 415 1.938 19.829 1.935 1.00 3.32 H new ATOM 0 HH22 ARG A 415 3.607 20.332 1.644 1.00 3.32 H new ATOM 561 N SER A 416 -2.570 20.895 -5.023 1.00 0.90 N ATOM 562 CA SER A 416 -2.798 21.431 -6.396 1.00 0.99 C ATOM 563 C SER A 416 -4.041 20.786 -7.016 1.00 0.99 C ATOM 564 O SER A 416 -5.084 21.401 -7.119 1.00 1.63 O ATOM 565 CB SER A 416 -1.547 21.046 -7.182 1.00 1.20 C ATOM 566 OG SER A 416 -1.729 21.382 -8.550 1.00 1.69 O ATOM 0 H SER A 416 -2.394 19.892 -4.972 1.00 0.90 H new ATOM 0 HA SER A 416 -2.966 22.508 -6.397 1.00 0.99 H new ATOM 0 HB2 SER A 416 -0.677 21.566 -6.781 1.00 1.20 H new ATOM 0 HB3 SER A 416 -1.354 19.978 -7.081 1.00 1.20 H new ATOM 0 HG SER A 416 -0.926 21.137 -9.056 1.00 1.69 H new ATOM 572 N GLY A 417 -3.938 19.553 -7.429 1.00 1.06 N ATOM 573 CA GLY A 417 -5.112 18.871 -8.041 1.00 1.06 C ATOM 574 C GLY A 417 -5.056 17.376 -7.726 1.00 0.99 C ATOM 575 O GLY A 417 -4.725 16.566 -8.569 1.00 1.31 O ATOM 0 H GLY A 417 -3.091 18.988 -7.369 1.00 1.06 H new ATOM 0 HA2 GLY A 417 -6.037 19.300 -7.655 1.00 1.06 H new ATOM 0 HA3 GLY A 417 -5.114 19.026 -9.120 1.00 1.06 H new ATOM 579 N HIS A 418 -5.375 17.003 -6.517 1.00 0.78 N ATOM 580 CA HIS A 418 -5.338 15.562 -6.147 1.00 0.87 C ATOM 581 C HIS A 418 -6.202 14.741 -7.110 1.00 0.89 C ATOM 582 O HIS A 418 -7.414 14.788 -7.070 1.00 1.17 O ATOM 583 CB HIS A 418 -5.895 15.500 -4.721 1.00 1.01 C ATOM 584 CG HIS A 418 -7.281 16.094 -4.680 1.00 1.68 C ATOM 585 ND1 HIS A 418 -7.501 17.454 -4.512 1.00 2.18 N ATOM 586 CD2 HIS A 418 -8.527 15.522 -4.769 1.00 2.31 C ATOM 587 CE1 HIS A 418 -8.832 17.650 -4.506 1.00 2.86 C ATOM 588 NE2 HIS A 418 -9.504 16.506 -4.660 1.00 2.97 N ATOM 0 H HIS A 418 -5.660 17.636 -5.769 1.00 0.78 H new ATOM 0 HA HIS A 418 -4.331 15.148 -6.204 1.00 0.87 H new ATOM 0 HB2 HIS A 418 -5.924 14.466 -4.378 1.00 1.01 H new ATOM 0 HB3 HIS A 418 -5.238 16.043 -4.042 1.00 1.01 H new ATOM 0 HD2 HIS A 418 -8.719 14.468 -4.903 1.00 2.31 H new ATOM 0 HE1 HIS A 418 -9.301 18.616 -4.391 1.00 2.86 H new ATOM 0 HE2 HIS A 418 -10.516 16.381 -4.691 1.00 2.97 H new ATOM 596 N GLN A 419 -5.582 13.988 -7.977 1.00 1.08 N ATOM 597 CA GLN A 419 -6.361 13.165 -8.940 1.00 1.25 C ATOM 598 C GLN A 419 -6.827 11.869 -8.268 1.00 1.03 C ATOM 599 O GLN A 419 -7.040 11.823 -7.072 1.00 1.28 O ATOM 600 CB GLN A 419 -5.380 12.870 -10.077 1.00 1.71 C ATOM 601 CG GLN A 419 -4.207 12.046 -9.541 1.00 2.33 C ATOM 602 CD GLN A 419 -2.891 12.652 -10.032 1.00 2.91 C ATOM 603 OE1 GLN A 419 -2.813 13.148 -11.138 1.00 3.29 O ATOM 604 NE2 GLN A 419 -1.847 12.634 -9.250 1.00 3.52 N ATOM 0 H GLN A 419 -4.568 13.908 -8.059 1.00 1.08 H new ATOM 0 HA GLN A 419 -7.258 13.671 -9.298 1.00 1.25 H new ATOM 0 HB2 GLN A 419 -5.885 12.326 -10.875 1.00 1.71 H new ATOM 0 HB3 GLN A 419 -5.016 13.803 -10.508 1.00 1.71 H new ATOM 0 HG2 GLN A 419 -4.228 12.030 -8.451 1.00 2.33 H new ATOM 0 HG3 GLN A 419 -4.291 11.012 -9.877 1.00 2.33 H new ATOM 0 HE21 GLN A 419 -1.913 12.217 -8.321 1.00 3.52 H new ATOM 0 HE22 GLN A 419 -0.965 13.036 -9.567 1.00 3.52 H new ATOM 613 N ASN A 420 -6.989 10.816 -9.023 1.00 0.78 N ATOM 614 CA ASN A 420 -7.441 9.530 -8.420 1.00 0.70 C ATOM 615 C ASN A 420 -6.524 9.140 -7.257 1.00 0.58 C ATOM 616 O ASN A 420 -5.477 8.554 -7.449 1.00 0.71 O ATOM 617 CB ASN A 420 -7.339 8.505 -9.550 1.00 0.86 C ATOM 618 CG ASN A 420 -8.564 8.624 -10.459 1.00 1.35 C ATOM 619 OD1 ASN A 420 -9.686 8.569 -9.997 1.00 1.96 O ATOM 620 ND2 ASN A 420 -8.395 8.787 -11.743 1.00 1.88 N ATOM 0 H ASN A 420 -6.828 10.791 -10.030 1.00 0.78 H new ATOM 0 HA ASN A 420 -8.452 9.595 -8.019 1.00 0.70 H new ATOM 0 HB2 ASN A 420 -6.428 8.672 -10.125 1.00 0.86 H new ATOM 0 HB3 ASN A 420 -7.276 7.498 -9.137 1.00 0.86 H new ATOM 0 HD21 ASN A 420 -9.205 8.868 -12.358 1.00 1.88 H new ATOM 0 HD22 ASN A 420 -7.453 8.833 -12.132 1.00 1.88 H new ATOM 627 N LEU A 421 -6.909 9.458 -6.051 1.00 0.45 N ATOM 628 CA LEU A 421 -6.058 9.105 -4.880 1.00 0.40 C ATOM 629 C LEU A 421 -6.209 7.617 -4.545 1.00 0.39 C ATOM 630 O LEU A 421 -5.401 6.799 -4.937 1.00 0.53 O ATOM 631 CB LEU A 421 -6.582 9.971 -3.733 1.00 0.42 C ATOM 632 CG LEU A 421 -5.909 11.343 -3.780 1.00 0.39 C ATOM 633 CD1 LEU A 421 -6.954 12.432 -3.531 1.00 0.50 C ATOM 634 CD2 LEU A 421 -4.829 11.418 -2.700 1.00 0.41 C ATOM 0 H LEU A 421 -7.776 9.947 -5.826 1.00 0.45 H new ATOM 0 HA LEU A 421 -4.999 9.281 -5.071 1.00 0.40 H new ATOM 0 HB2 LEU A 421 -7.663 10.082 -3.812 1.00 0.42 H new ATOM 0 HB3 LEU A 421 -6.380 9.488 -2.777 1.00 0.42 H new ATOM 0 HG LEU A 421 -5.455 11.492 -4.760 1.00 0.39 H new ATOM 0 HD11 LEU A 421 -6.475 13.410 -3.564 1.00 0.50 H new ATOM 0 HD12 LEU A 421 -7.725 12.379 -4.300 1.00 0.50 H new ATOM 0 HD13 LEU A 421 -7.408 12.283 -2.551 1.00 0.50 H new ATOM 0 HD21 LEU A 421 -4.349 12.396 -2.733 1.00 0.41 H new ATOM 0 HD22 LEU A 421 -5.283 11.270 -1.720 1.00 0.41 H new ATOM 0 HD23 LEU A 421 -4.084 10.642 -2.876 1.00 0.41 H new ATOM 646 N LEU A 422 -7.238 7.260 -3.826 1.00 0.33 N ATOM 647 CA LEU A 422 -7.437 5.826 -3.471 1.00 0.34 C ATOM 648 C LEU A 422 -7.445 4.963 -4.735 1.00 0.35 C ATOM 649 O LEU A 422 -7.071 3.808 -4.714 1.00 0.37 O ATOM 650 CB LEU A 422 -8.800 5.777 -2.781 1.00 0.37 C ATOM 651 CG LEU A 422 -8.630 6.065 -1.289 1.00 0.38 C ATOM 652 CD1 LEU A 422 -9.974 6.488 -0.693 1.00 0.58 C ATOM 653 CD2 LEU A 422 -8.135 4.802 -0.579 1.00 0.63 C ATOM 0 H LEU A 422 -7.949 7.899 -3.469 1.00 0.33 H new ATOM 0 HA LEU A 422 -6.641 5.444 -2.832 1.00 0.34 H new ATOM 0 HB2 LEU A 422 -9.472 6.509 -3.229 1.00 0.37 H new ATOM 0 HB3 LEU A 422 -9.256 4.797 -2.923 1.00 0.37 H new ATOM 0 HG LEU A 422 -7.904 6.867 -1.156 1.00 0.38 H new ATOM 0 HD11 LEU A 422 -9.852 6.693 0.371 1.00 0.58 H new ATOM 0 HD12 LEU A 422 -10.329 7.387 -1.197 1.00 0.58 H new ATOM 0 HD13 LEU A 422 -10.700 5.686 -0.827 1.00 0.58 H new ATOM 0 HD21 LEU A 422 -8.014 5.007 0.485 1.00 0.63 H new ATOM 0 HD22 LEU A 422 -8.861 4.000 -0.714 1.00 0.63 H new ATOM 0 HD23 LEU A 422 -7.177 4.499 -1.002 1.00 0.63 H new ATOM 665 N SER A 423 -7.875 5.517 -5.833 1.00 0.35 N ATOM 666 CA SER A 423 -7.915 4.732 -7.103 1.00 0.38 C ATOM 667 C SER A 423 -6.495 4.435 -7.598 1.00 0.36 C ATOM 668 O SER A 423 -6.291 3.592 -8.449 1.00 0.40 O ATOM 669 CB SER A 423 -8.651 5.628 -8.098 1.00 0.44 C ATOM 670 OG SER A 423 -9.997 5.189 -8.218 1.00 1.23 O ATOM 0 H SER A 423 -8.201 6.480 -5.909 1.00 0.35 H new ATOM 0 HA SER A 423 -8.409 3.769 -6.973 1.00 0.38 H new ATOM 0 HB2 SER A 423 -8.623 6.664 -7.762 1.00 0.44 H new ATOM 0 HB3 SER A 423 -8.157 5.595 -9.069 1.00 0.44 H new ATOM 0 HG SER A 423 -10.473 5.763 -8.854 1.00 1.23 H new ATOM 676 N GLU A 424 -5.511 5.120 -7.080 1.00 0.34 N ATOM 677 CA GLU A 424 -4.111 4.871 -7.534 1.00 0.36 C ATOM 678 C GLU A 424 -3.466 3.761 -6.696 1.00 0.32 C ATOM 679 O GLU A 424 -2.938 2.803 -7.223 1.00 0.33 O ATOM 680 CB GLU A 424 -3.384 6.199 -7.319 1.00 0.38 C ATOM 681 CG GLU A 424 -3.032 6.814 -8.675 1.00 0.58 C ATOM 682 CD GLU A 424 -2.465 8.220 -8.469 1.00 0.81 C ATOM 683 OE1 GLU A 424 -3.251 9.151 -8.403 1.00 1.54 O ATOM 684 OE2 GLU A 424 -1.255 8.341 -8.380 1.00 1.22 O ATOM 0 H GLU A 424 -5.615 5.839 -6.364 1.00 0.34 H new ATOM 0 HA GLU A 424 -4.067 4.545 -8.573 1.00 0.36 H new ATOM 0 HB2 GLU A 424 -4.014 6.883 -6.750 1.00 0.38 H new ATOM 0 HB3 GLU A 424 -2.478 6.039 -6.734 1.00 0.38 H new ATOM 0 HG2 GLU A 424 -2.303 6.189 -9.191 1.00 0.58 H new ATOM 0 HG3 GLU A 424 -3.919 6.858 -9.307 1.00 0.58 H new ATOM 691 N ALA A 425 -3.504 3.884 -5.398 1.00 0.31 N ATOM 692 CA ALA A 425 -2.891 2.837 -4.531 1.00 0.29 C ATOM 693 C ALA A 425 -3.798 1.602 -4.456 1.00 0.28 C ATOM 694 O ALA A 425 -3.374 0.531 -4.073 1.00 0.28 O ATOM 695 CB ALA A 425 -2.762 3.489 -3.154 1.00 0.29 C ATOM 0 H ALA A 425 -3.933 4.664 -4.900 1.00 0.31 H new ATOM 0 HA ALA A 425 -1.929 2.498 -4.917 1.00 0.29 H new ATOM 0 HB1 ALA A 425 -2.317 2.780 -2.456 1.00 0.29 H new ATOM 0 HB2 ALA A 425 -2.127 4.372 -3.228 1.00 0.29 H new ATOM 0 HB3 ALA A 425 -3.749 3.780 -2.795 1.00 0.29 H new ATOM 701 N GLN A 426 -5.046 1.747 -4.812 1.00 0.30 N ATOM 702 CA GLN A 426 -5.980 0.586 -4.757 1.00 0.31 C ATOM 703 C GLN A 426 -5.392 -0.629 -5.492 1.00 0.30 C ATOM 704 O GLN A 426 -5.233 -1.683 -4.908 1.00 0.30 O ATOM 705 CB GLN A 426 -7.251 1.070 -5.456 1.00 0.36 C ATOM 706 CG GLN A 426 -8.342 1.332 -4.415 1.00 0.45 C ATOM 707 CD GLN A 426 -9.511 2.067 -5.073 1.00 0.54 C ATOM 708 OE1 GLN A 426 -9.729 3.235 -4.821 1.00 1.23 O ATOM 709 NE2 GLN A 426 -10.278 1.427 -5.914 1.00 1.09 N ATOM 0 H GLN A 426 -5.459 2.620 -5.139 1.00 0.30 H new ATOM 0 HA GLN A 426 -6.167 0.265 -3.732 1.00 0.31 H new ATOM 0 HB2 GLN A 426 -7.045 1.981 -6.018 1.00 0.36 H new ATOM 0 HB3 GLN A 426 -7.591 0.323 -6.173 1.00 0.36 H new ATOM 0 HG2 GLN A 426 -8.685 0.390 -3.988 1.00 0.45 H new ATOM 0 HG3 GLN A 426 -7.941 1.927 -3.594 1.00 0.45 H new ATOM 0 HE21 GLN A 426 -10.095 0.446 -6.126 1.00 1.09 H new ATOM 0 HE22 GLN A 426 -11.060 1.908 -6.359 1.00 1.09 H new ATOM 718 N PRO A 427 -5.091 -0.449 -6.757 1.00 0.32 N ATOM 719 CA PRO A 427 -4.526 -1.562 -7.564 1.00 0.34 C ATOM 720 C PRO A 427 -3.104 -1.894 -7.107 1.00 0.31 C ATOM 721 O PRO A 427 -2.603 -2.974 -7.351 1.00 0.35 O ATOM 722 CB PRO A 427 -4.533 -1.014 -8.989 1.00 0.39 C ATOM 723 CG PRO A 427 -4.507 0.470 -8.830 1.00 0.38 C ATOM 724 CD PRO A 427 -5.238 0.781 -7.551 1.00 0.35 C ATOM 0 HA PRO A 427 -5.092 -2.488 -7.469 1.00 0.34 H new ATOM 0 HB2 PRO A 427 -3.669 -1.366 -9.552 1.00 0.39 H new ATOM 0 HB3 PRO A 427 -5.421 -1.338 -9.532 1.00 0.39 H new ATOM 0 HG2 PRO A 427 -3.481 0.837 -8.789 1.00 0.38 H new ATOM 0 HG3 PRO A 427 -4.986 0.959 -9.678 1.00 0.38 H new ATOM 0 HD2 PRO A 427 -4.804 1.641 -7.041 1.00 0.35 H new ATOM 0 HD3 PRO A 427 -6.286 1.015 -7.736 1.00 0.35 H new ATOM 732 N GLU A 428 -2.450 -0.979 -6.447 1.00 0.29 N ATOM 733 CA GLU A 428 -1.062 -1.256 -5.978 1.00 0.29 C ATOM 734 C GLU A 428 -1.075 -2.363 -4.921 1.00 0.27 C ATOM 735 O GLU A 428 -0.361 -3.341 -5.024 1.00 0.32 O ATOM 736 CB GLU A 428 -0.574 0.061 -5.375 1.00 0.29 C ATOM 737 CG GLU A 428 0.895 0.279 -5.744 1.00 0.71 C ATOM 738 CD GLU A 428 1.449 1.471 -4.963 1.00 1.37 C ATOM 739 OE1 GLU A 428 0.677 2.366 -4.660 1.00 2.12 O ATOM 740 OE2 GLU A 428 2.636 1.469 -4.682 1.00 2.07 O ATOM 0 H GLU A 428 -2.814 -0.055 -6.213 1.00 0.29 H new ATOM 0 HA GLU A 428 -0.413 -1.596 -6.785 1.00 0.29 H new ATOM 0 HB2 GLU A 428 -1.179 0.889 -5.745 1.00 0.29 H new ATOM 0 HB3 GLU A 428 -0.689 0.041 -4.291 1.00 0.29 H new ATOM 0 HG2 GLU A 428 1.474 -0.617 -5.519 1.00 0.71 H new ATOM 0 HG3 GLU A 428 0.989 0.458 -6.815 1.00 0.71 H new ATOM 747 N LEU A 429 -1.885 -2.220 -3.908 1.00 0.26 N ATOM 748 CA LEU A 429 -1.944 -3.269 -2.848 1.00 0.26 C ATOM 749 C LEU A 429 -2.537 -4.559 -3.421 1.00 0.25 C ATOM 750 O LEU A 429 -2.039 -5.641 -3.181 1.00 0.28 O ATOM 751 CB LEU A 429 -2.858 -2.689 -1.763 1.00 0.26 C ATOM 752 CG LEU A 429 -3.107 -3.743 -0.679 1.00 0.29 C ATOM 753 CD1 LEU A 429 -2.395 -3.336 0.611 1.00 0.45 C ATOM 754 CD2 LEU A 429 -4.611 -3.854 -0.416 1.00 0.56 C ATOM 0 H LEU A 429 -2.508 -1.424 -3.768 1.00 0.26 H new ATOM 0 HA LEU A 429 -0.958 -3.518 -2.455 1.00 0.26 H new ATOM 0 HB2 LEU A 429 -2.400 -1.803 -1.324 1.00 0.26 H new ATOM 0 HB3 LEU A 429 -3.805 -2.374 -2.202 1.00 0.26 H new ATOM 0 HG LEU A 429 -2.720 -4.705 -1.015 1.00 0.29 H new ATOM 0 HD11 LEU A 429 -2.575 -4.088 1.379 1.00 0.45 H new ATOM 0 HD12 LEU A 429 -1.324 -3.256 0.426 1.00 0.45 H new ATOM 0 HD13 LEU A 429 -2.778 -2.373 0.950 1.00 0.45 H new ATOM 0 HD21 LEU A 429 -4.791 -4.603 0.355 1.00 0.56 H new ATOM 0 HD22 LEU A 429 -4.994 -2.890 -0.082 1.00 0.56 H new ATOM 0 HD23 LEU A 429 -5.120 -4.148 -1.334 1.00 0.56 H new ATOM 766 N GLU A 430 -3.597 -4.454 -4.175 1.00 0.27 N ATOM 767 CA GLU A 430 -4.218 -5.679 -4.756 1.00 0.28 C ATOM 768 C GLU A 430 -3.217 -6.407 -5.659 1.00 0.30 C ATOM 769 O GLU A 430 -3.224 -7.616 -5.758 1.00 0.33 O ATOM 770 CB GLU A 430 -5.405 -5.171 -5.575 1.00 0.30 C ATOM 771 CG GLU A 430 -6.446 -6.285 -5.712 1.00 0.61 C ATOM 772 CD GLU A 430 -6.345 -6.911 -7.105 1.00 1.45 C ATOM 773 OE1 GLU A 430 -5.312 -6.751 -7.732 1.00 2.18 O ATOM 774 OE2 GLU A 430 -7.305 -7.541 -7.519 1.00 2.05 O ATOM 0 H GLU A 430 -4.059 -3.576 -4.413 1.00 0.27 H new ATOM 0 HA GLU A 430 -4.525 -6.388 -3.987 1.00 0.28 H new ATOM 0 HB2 GLU A 430 -5.849 -4.302 -5.090 1.00 0.30 H new ATOM 0 HB3 GLU A 430 -5.069 -4.850 -6.561 1.00 0.30 H new ATOM 0 HG2 GLU A 430 -6.283 -7.045 -4.948 1.00 0.61 H new ATOM 0 HG3 GLU A 430 -7.447 -5.883 -5.554 1.00 0.61 H new ATOM 781 N ARG A 431 -2.360 -5.680 -6.322 1.00 0.33 N ATOM 782 CA ARG A 431 -1.367 -6.334 -7.222 1.00 0.37 C ATOM 783 C ARG A 431 -0.341 -7.127 -6.407 1.00 0.36 C ATOM 784 O ARG A 431 -0.140 -8.306 -6.624 1.00 0.38 O ATOM 785 CB ARG A 431 -0.685 -5.185 -7.964 1.00 0.41 C ATOM 786 CG ARG A 431 0.158 -5.748 -9.110 1.00 0.59 C ATOM 787 CD ARG A 431 0.319 -4.683 -10.196 1.00 1.32 C ATOM 788 NE ARG A 431 1.573 -5.049 -10.911 1.00 1.56 N ATOM 789 CZ ARG A 431 2.510 -4.156 -11.083 1.00 2.19 C ATOM 790 NH1 ARG A 431 3.371 -3.923 -10.130 1.00 2.78 N ATOM 791 NH2 ARG A 431 2.585 -3.497 -12.206 1.00 2.87 N ATOM 0 H ARG A 431 -2.304 -4.662 -6.280 1.00 0.33 H new ATOM 0 HA ARG A 431 -1.840 -7.040 -7.905 1.00 0.37 H new ATOM 0 HB2 ARG A 431 -1.433 -4.495 -8.354 1.00 0.41 H new ATOM 0 HB3 ARG A 431 -0.055 -4.619 -7.279 1.00 0.41 H new ATOM 0 HG2 ARG A 431 1.136 -6.055 -8.739 1.00 0.59 H new ATOM 0 HG3 ARG A 431 -0.319 -6.636 -9.524 1.00 0.59 H new ATOM 0 HD2 ARG A 431 -0.535 -4.678 -10.874 1.00 1.32 H new ATOM 0 HD3 ARG A 431 0.388 -3.685 -9.763 1.00 1.32 H new ATOM 0 HE ARG A 431 1.700 -5.997 -11.266 1.00 1.56 H new ATOM 0 HH11 ARG A 431 3.312 -4.438 -9.252 1.00 2.78 H new ATOM 0 HH12 ARG A 431 4.103 -3.226 -10.264 1.00 2.78 H new ATOM 0 HH21 ARG A 431 1.912 -3.679 -12.950 1.00 2.87 H new ATOM 0 HH22 ARG A 431 3.317 -2.799 -12.340 1.00 2.87 H new ATOM 805 N THR A 432 0.316 -6.492 -5.474 1.00 0.41 N ATOM 806 CA THR A 432 1.333 -7.215 -4.654 1.00 0.45 C ATOM 807 C THR A 432 0.734 -8.499 -4.072 1.00 0.40 C ATOM 808 O THR A 432 1.285 -9.572 -4.216 1.00 0.56 O ATOM 809 CB THR A 432 1.708 -6.243 -3.534 1.00 0.53 C ATOM 810 OG1 THR A 432 2.114 -5.005 -4.101 1.00 0.61 O ATOM 811 CG2 THR A 432 2.855 -6.831 -2.709 1.00 0.62 C ATOM 0 H THR A 432 0.194 -5.506 -5.244 1.00 0.41 H new ATOM 0 HA THR A 432 2.200 -7.510 -5.244 1.00 0.45 H new ATOM 0 HB THR A 432 0.845 -6.081 -2.888 1.00 0.53 H new ATOM 0 HG1 THR A 432 2.353 -4.380 -3.385 1.00 0.61 H new ATOM 0 HG21 THR A 432 3.122 -6.138 -1.911 1.00 0.62 H new ATOM 0 HG22 THR A 432 2.542 -7.781 -2.275 1.00 0.62 H new ATOM 0 HG23 THR A 432 3.720 -6.994 -3.352 1.00 0.62 H new ATOM 819 N LEU A 433 -0.388 -8.398 -3.412 1.00 0.33 N ATOM 820 CA LEU A 433 -1.017 -9.614 -2.819 1.00 0.30 C ATOM 821 C LEU A 433 -1.456 -10.582 -3.921 1.00 0.27 C ATOM 822 O LEU A 433 -1.163 -11.760 -3.878 1.00 0.25 O ATOM 823 CB LEU A 433 -2.231 -9.097 -2.047 1.00 0.37 C ATOM 824 CG LEU A 433 -2.242 -9.707 -0.643 1.00 0.42 C ATOM 825 CD1 LEU A 433 -2.270 -11.235 -0.747 1.00 0.41 C ATOM 826 CD2 LEU A 433 -0.983 -9.271 0.108 1.00 0.44 C ATOM 0 H LEU A 433 -0.896 -7.527 -3.258 1.00 0.33 H new ATOM 0 HA LEU A 433 -0.326 -10.160 -2.177 1.00 0.30 H new ATOM 0 HB2 LEU A 433 -2.198 -8.009 -1.982 1.00 0.37 H new ATOM 0 HB3 LEU A 433 -3.149 -9.357 -2.575 1.00 0.37 H new ATOM 0 HG LEU A 433 -3.126 -9.365 -0.105 1.00 0.42 H new ATOM 0 HD11 LEU A 433 -2.278 -11.668 0.253 1.00 0.41 H new ATOM 0 HD12 LEU A 433 -3.166 -11.547 -1.284 1.00 0.41 H new ATOM 0 HD13 LEU A 433 -1.386 -11.579 -1.284 1.00 0.41 H new ATOM 0 HD21 LEU A 433 -0.988 -9.704 1.108 1.00 0.44 H new ATOM 0 HD22 LEU A 433 -0.100 -9.614 -0.432 1.00 0.44 H new ATOM 0 HD23 LEU A 433 -0.962 -8.184 0.183 1.00 0.44 H new ATOM 838 N LEU A 434 -2.160 -10.095 -4.908 1.00 0.32 N ATOM 839 CA LEU A 434 -2.618 -10.993 -6.008 1.00 0.32 C ATOM 840 C LEU A 434 -1.434 -11.778 -6.582 1.00 0.29 C ATOM 841 O LEU A 434 -1.484 -12.985 -6.714 1.00 0.30 O ATOM 842 CB LEU A 434 -3.201 -10.056 -7.066 1.00 0.41 C ATOM 843 CG LEU A 434 -3.769 -10.880 -8.224 1.00 0.65 C ATOM 844 CD1 LEU A 434 -5.250 -11.163 -7.970 1.00 0.84 C ATOM 845 CD2 LEU A 434 -3.615 -10.095 -9.528 1.00 1.14 C ATOM 0 H LEU A 434 -2.437 -9.118 -5.000 1.00 0.32 H new ATOM 0 HA LEU A 434 -3.347 -11.726 -5.664 1.00 0.32 H new ATOM 0 HB2 LEU A 434 -3.985 -9.438 -6.627 1.00 0.41 H new ATOM 0 HB3 LEU A 434 -2.429 -9.379 -7.432 1.00 0.41 H new ATOM 0 HG LEU A 434 -3.228 -11.823 -8.301 1.00 0.65 H new ATOM 0 HD11 LEU A 434 -5.655 -11.750 -8.794 1.00 0.84 H new ATOM 0 HD12 LEU A 434 -5.360 -11.720 -7.040 1.00 0.84 H new ATOM 0 HD13 LEU A 434 -5.793 -10.221 -7.894 1.00 0.84 H new ATOM 0 HD21 LEU A 434 -4.019 -10.680 -10.355 1.00 1.14 H new ATOM 0 HD22 LEU A 434 -4.157 -9.152 -9.451 1.00 1.14 H new ATOM 0 HD23 LEU A 434 -2.559 -9.893 -9.708 1.00 1.14 H new ATOM 857 N THR A 435 -0.372 -11.102 -6.923 1.00 0.34 N ATOM 858 CA THR A 435 0.812 -11.812 -7.488 1.00 0.37 C ATOM 859 C THR A 435 1.396 -12.775 -6.452 1.00 0.35 C ATOM 860 O THR A 435 1.714 -13.908 -6.754 1.00 0.39 O ATOM 861 CB THR A 435 1.815 -10.707 -7.822 1.00 0.45 C ATOM 862 OG1 THR A 435 1.229 -9.801 -8.748 1.00 0.52 O ATOM 863 CG2 THR A 435 3.071 -11.325 -8.436 1.00 0.55 C ATOM 0 H THR A 435 -0.272 -10.091 -6.836 1.00 0.34 H new ATOM 0 HA THR A 435 0.557 -12.408 -8.364 1.00 0.37 H new ATOM 0 HB THR A 435 2.084 -10.172 -6.911 1.00 0.45 H new ATOM 0 HG1 THR A 435 0.705 -9.130 -8.262 1.00 0.52 H new ATOM 0 HG21 THR A 435 3.785 -10.537 -8.674 1.00 0.55 H new ATOM 0 HG22 THR A 435 3.520 -12.019 -7.725 1.00 0.55 H new ATOM 0 HG23 THR A 435 2.805 -11.860 -9.347 1.00 0.55 H new ATOM 871 N THR A 436 1.541 -12.334 -5.231 1.00 0.33 N ATOM 872 CA THR A 436 2.104 -13.230 -4.180 1.00 0.36 C ATOM 873 C THR A 436 1.235 -14.481 -4.037 1.00 0.36 C ATOM 874 O THR A 436 1.671 -15.584 -4.302 1.00 0.40 O ATOM 875 CB THR A 436 2.074 -12.403 -2.893 1.00 0.38 C ATOM 876 OG1 THR A 436 2.738 -11.167 -3.112 1.00 0.39 O ATOM 877 CG2 THR A 436 2.777 -13.170 -1.772 1.00 0.49 C ATOM 0 H THR A 436 1.295 -11.395 -4.917 1.00 0.33 H new ATOM 0 HA THR A 436 3.112 -13.568 -4.420 1.00 0.36 H new ATOM 0 HB THR A 436 1.039 -12.215 -2.606 1.00 0.38 H new ATOM 0 HG1 THR A 436 2.075 -10.452 -3.207 1.00 0.39 H new ATOM 0 HG21 THR A 436 2.754 -12.579 -0.857 1.00 0.49 H new ATOM 0 HG22 THR A 436 2.266 -14.118 -1.604 1.00 0.49 H new ATOM 0 HG23 THR A 436 3.812 -13.360 -2.055 1.00 0.49 H new ATOM 885 N ALA A 437 0.008 -14.321 -3.625 1.00 0.34 N ATOM 886 CA ALA A 437 -0.887 -15.504 -3.475 1.00 0.36 C ATOM 887 C ALA A 437 -0.919 -16.301 -4.780 1.00 0.36 C ATOM 888 O ALA A 437 -0.892 -17.516 -4.775 1.00 0.41 O ATOM 889 CB ALA A 437 -2.265 -14.925 -3.159 1.00 0.35 C ATOM 0 H ALA A 437 -0.414 -13.424 -3.386 1.00 0.34 H new ATOM 0 HA ALA A 437 -0.550 -16.185 -2.694 1.00 0.36 H new ATOM 0 HB1 ALA A 437 -2.981 -15.737 -3.034 1.00 0.35 H new ATOM 0 HB2 ALA A 437 -2.213 -14.343 -2.239 1.00 0.35 H new ATOM 0 HB3 ALA A 437 -2.586 -14.281 -3.978 1.00 0.35 H new ATOM 895 N LEU A 438 -0.967 -15.631 -5.900 1.00 0.34 N ATOM 896 CA LEU A 438 -0.986 -16.372 -7.191 1.00 0.36 C ATOM 897 C LEU A 438 0.277 -17.226 -7.299 1.00 0.42 C ATOM 898 O LEU A 438 0.243 -18.339 -7.780 1.00 0.46 O ATOM 899 CB LEU A 438 -1.015 -15.303 -8.290 1.00 0.36 C ATOM 900 CG LEU A 438 -0.805 -15.962 -9.664 1.00 0.41 C ATOM 901 CD1 LEU A 438 -1.801 -17.111 -9.853 1.00 0.42 C ATOM 902 CD2 LEU A 438 -1.024 -14.928 -10.769 1.00 0.45 C ATOM 0 H LEU A 438 -0.994 -14.614 -5.976 1.00 0.34 H new ATOM 0 HA LEU A 438 -1.845 -17.038 -7.275 1.00 0.36 H new ATOM 0 HB2 LEU A 438 -1.969 -14.775 -8.272 1.00 0.36 H new ATOM 0 HB3 LEU A 438 -0.237 -14.562 -8.109 1.00 0.36 H new ATOM 0 HG LEU A 438 0.212 -16.350 -9.716 1.00 0.41 H new ATOM 0 HD11 LEU A 438 -1.645 -17.571 -10.829 1.00 0.42 H new ATOM 0 HD12 LEU A 438 -1.650 -17.856 -9.072 1.00 0.42 H new ATOM 0 HD13 LEU A 438 -2.818 -16.724 -9.793 1.00 0.42 H new ATOM 0 HD21 LEU A 438 -0.875 -15.397 -11.741 1.00 0.45 H new ATOM 0 HD22 LEU A 438 -2.040 -14.538 -10.706 1.00 0.45 H new ATOM 0 HD23 LEU A 438 -0.314 -14.110 -10.648 1.00 0.45 H new ATOM 914 N ARG A 439 1.393 -16.718 -6.844 1.00 0.43 N ATOM 915 CA ARG A 439 2.653 -17.515 -6.914 1.00 0.51 C ATOM 916 C ARG A 439 2.408 -18.903 -6.316 1.00 0.54 C ATOM 917 O ARG A 439 2.832 -19.908 -6.853 1.00 0.61 O ATOM 918 CB ARG A 439 3.667 -16.736 -6.076 1.00 0.52 C ATOM 919 CG ARG A 439 5.069 -17.304 -6.310 1.00 0.77 C ATOM 920 CD ARG A 439 5.992 -16.190 -6.812 1.00 1.28 C ATOM 921 NE ARG A 439 6.934 -16.865 -7.749 1.00 1.74 N ATOM 922 CZ ARG A 439 7.959 -16.213 -8.225 1.00 2.28 C ATOM 923 NH1 ARG A 439 8.783 -15.610 -7.412 1.00 2.89 N ATOM 924 NH2 ARG A 439 8.161 -16.165 -9.513 1.00 2.82 N ATOM 0 H ARG A 439 1.486 -15.791 -6.429 1.00 0.43 H new ATOM 0 HA ARG A 439 3.006 -17.657 -7.935 1.00 0.51 H new ATOM 0 HB2 ARG A 439 3.642 -15.680 -6.345 1.00 0.52 H new ATOM 0 HB3 ARG A 439 3.408 -16.802 -5.019 1.00 0.52 H new ATOM 0 HG2 ARG A 439 5.461 -17.727 -5.385 1.00 0.77 H new ATOM 0 HG3 ARG A 439 5.028 -18.114 -7.039 1.00 0.77 H new ATOM 0 HD2 ARG A 439 5.427 -15.406 -7.316 1.00 1.28 H new ATOM 0 HD3 ARG A 439 6.526 -15.718 -5.987 1.00 1.28 H new ATOM 0 HE ARG A 439 6.777 -17.836 -8.018 1.00 1.74 H new ATOM 0 HH11 ARG A 439 8.625 -15.649 -6.405 1.00 2.89 H new ATOM 0 HH12 ARG A 439 9.584 -15.100 -7.784 1.00 2.89 H new ATOM 0 HH21 ARG A 439 7.518 -16.637 -10.148 1.00 2.82 H new ATOM 0 HH22 ARG A 439 8.962 -15.655 -9.885 1.00 2.82 H new ATOM 938 N HIS A 440 1.701 -18.962 -5.221 1.00 0.52 N ATOM 939 CA HIS A 440 1.399 -20.281 -4.603 1.00 0.57 C ATOM 940 C HIS A 440 0.644 -21.138 -5.622 1.00 0.58 C ATOM 941 O HIS A 440 0.735 -22.350 -5.629 1.00 0.64 O ATOM 942 CB HIS A 440 0.514 -19.957 -3.398 1.00 0.56 C ATOM 943 CG HIS A 440 0.195 -21.224 -2.653 1.00 0.63 C ATOM 944 ND1 HIS A 440 -0.995 -21.766 -2.232 1.00 1.04 N flip ATOM 945 CD2 HIS A 440 1.178 -22.112 -2.248 1.00 0.82 C flip ATOM 946 CE1 HIS A 440 -0.756 -22.970 -1.577 1.00 0.96 C flip ATOM 947 NE2 HIS A 440 0.570 -23.132 -1.615 1.00 0.75 N flip ATOM 0 H HIS A 440 1.320 -18.154 -4.729 1.00 0.52 H new ATOM 0 HA HIS A 440 2.289 -20.833 -4.302 1.00 0.57 H new ATOM 0 HB2 HIS A 440 1.023 -19.254 -2.739 1.00 0.56 H new ATOM 0 HB3 HIS A 440 -0.406 -19.476 -3.729 1.00 0.56 H new ATOM 0 HD2 HIS A 440 2.240 -22.005 -2.411 1.00 0.82 H new ATOM 0 HE1 HIS A 440 -1.485 -23.631 -1.133 1.00 0.96 H new ATOM 0 HE2 HIS A 440 1.061 -23.931 -1.213 1.00 0.75 H new ATOM 955 N THR A 441 -0.086 -20.500 -6.498 1.00 0.54 N ATOM 956 CA THR A 441 -0.845 -21.244 -7.544 1.00 0.55 C ATOM 957 C THR A 441 -0.571 -20.606 -8.908 1.00 0.56 C ATOM 958 O THR A 441 -1.481 -20.281 -9.645 1.00 0.55 O ATOM 959 CB THR A 441 -2.322 -21.087 -7.169 1.00 0.53 C ATOM 960 OG1 THR A 441 -2.710 -19.732 -7.345 1.00 0.48 O ATOM 961 CG2 THR A 441 -2.534 -21.493 -5.708 1.00 0.54 C ATOM 0 H THR A 441 -0.189 -19.486 -6.533 1.00 0.54 H new ATOM 0 HA THR A 441 -0.560 -22.295 -7.601 1.00 0.55 H new ATOM 0 HB THR A 441 -2.927 -21.729 -7.810 1.00 0.53 H new ATOM 0 HG1 THR A 441 -2.746 -19.524 -8.302 1.00 0.48 H new ATOM 0 HG21 THR A 441 -3.586 -21.379 -5.448 1.00 0.54 H new ATOM 0 HG22 THR A 441 -2.237 -22.533 -5.573 1.00 0.54 H new ATOM 0 HG23 THR A 441 -1.929 -20.856 -5.062 1.00 0.54 H new ATOM 969 N GLN A 442 0.684 -20.406 -9.230 1.00 0.59 N ATOM 970 CA GLN A 442 1.064 -19.767 -10.530 1.00 0.62 C ATOM 971 C GLN A 442 0.184 -20.261 -11.684 1.00 0.64 C ATOM 972 O GLN A 442 0.025 -21.447 -11.897 1.00 0.69 O ATOM 973 CB GLN A 442 2.517 -20.184 -10.757 1.00 0.69 C ATOM 974 CG GLN A 442 2.603 -21.709 -10.842 1.00 1.43 C ATOM 975 CD GLN A 442 3.904 -22.186 -10.193 1.00 1.79 C ATOM 976 OE1 GLN A 442 4.000 -22.263 -8.984 1.00 2.16 O ATOM 977 NE2 GLN A 442 4.916 -22.509 -10.950 1.00 2.47 N ATOM 0 H GLN A 442 1.474 -20.663 -8.638 1.00 0.59 H new ATOM 0 HA GLN A 442 0.934 -18.685 -10.495 1.00 0.62 H new ATOM 0 HB2 GLN A 442 2.896 -19.736 -11.676 1.00 0.69 H new ATOM 0 HB3 GLN A 442 3.143 -19.819 -9.943 1.00 0.69 H new ATOM 0 HG2 GLN A 442 1.747 -22.160 -10.340 1.00 1.43 H new ATOM 0 HG3 GLN A 442 2.566 -22.028 -11.884 1.00 1.43 H new ATOM 0 HE21 GLN A 442 4.835 -22.444 -11.965 1.00 2.47 H new ATOM 0 HE22 GLN A 442 5.788 -22.826 -10.527 1.00 2.47 H new ATOM 986 N GLY A 443 -0.386 -19.354 -12.429 1.00 0.63 N ATOM 987 CA GLY A 443 -1.253 -19.756 -13.571 1.00 0.66 C ATOM 988 C GLY A 443 -2.694 -19.934 -13.086 1.00 0.64 C ATOM 989 O GLY A 443 -3.627 -19.444 -13.689 1.00 0.66 O ATOM 0 H GLY A 443 -0.288 -18.348 -12.295 1.00 0.63 H new ATOM 0 HA2 GLY A 443 -1.213 -18.999 -14.354 1.00 0.66 H new ATOM 0 HA3 GLY A 443 -0.888 -20.686 -14.007 1.00 0.66 H new ATOM 993 N HIS A 444 -2.882 -20.633 -12.001 1.00 0.62 N ATOM 994 CA HIS A 444 -4.263 -20.841 -11.480 1.00 0.62 C ATOM 995 C HIS A 444 -4.777 -19.568 -10.804 1.00 0.67 C ATOM 996 O HIS A 444 -5.051 -19.550 -9.620 1.00 1.34 O ATOM 997 CB HIS A 444 -4.131 -21.975 -10.463 1.00 0.63 C ATOM 998 CG HIS A 444 -3.830 -23.261 -11.183 1.00 0.95 C ATOM 999 ND1 HIS A 444 -4.759 -23.886 -11.999 1.00 1.52 N ATOM 1000 CD2 HIS A 444 -2.707 -24.050 -11.221 1.00 1.62 C ATOM 1001 CE1 HIS A 444 -4.185 -25.000 -12.489 1.00 1.77 C ATOM 1002 NE2 HIS A 444 -2.933 -25.147 -12.046 1.00 1.86 N ATOM 0 H HIS A 444 -2.140 -21.069 -11.453 1.00 0.62 H new ATOM 0 HA HIS A 444 -4.971 -21.081 -12.273 1.00 0.62 H new ATOM 0 HB2 HIS A 444 -3.337 -21.749 -9.752 1.00 0.63 H new ATOM 0 HB3 HIS A 444 -5.053 -22.074 -9.890 1.00 0.63 H new ATOM 0 HD2 HIS A 444 -1.788 -23.849 -10.691 1.00 1.62 H new ATOM 0 HE1 HIS A 444 -4.676 -25.691 -13.158 1.00 1.77 H new ATOM 0 HE2 HIS A 444 -2.283 -25.901 -12.266 1.00 1.86 H new ATOM 1010 N LYS A 445 -4.914 -18.501 -11.546 1.00 0.62 N ATOM 1011 CA LYS A 445 -5.417 -17.231 -10.945 1.00 0.51 C ATOM 1012 C LYS A 445 -6.720 -17.489 -10.183 1.00 0.51 C ATOM 1013 O LYS A 445 -7.052 -16.794 -9.244 1.00 0.57 O ATOM 1014 CB LYS A 445 -5.668 -16.303 -12.134 1.00 0.62 C ATOM 1015 CG LYS A 445 -6.149 -14.943 -11.625 1.00 1.31 C ATOM 1016 CD LYS A 445 -5.110 -13.873 -11.965 1.00 1.56 C ATOM 1017 CE LYS A 445 -5.234 -13.489 -13.441 1.00 2.23 C ATOM 1018 NZ LYS A 445 -4.561 -12.165 -13.552 1.00 2.52 N ATOM 0 H LYS A 445 -4.699 -18.454 -12.542 1.00 0.62 H new ATOM 0 HA LYS A 445 -4.711 -16.801 -10.234 1.00 0.51 H new ATOM 0 HB2 LYS A 445 -4.754 -16.183 -12.715 1.00 0.62 H new ATOM 0 HB3 LYS A 445 -6.414 -16.739 -12.799 1.00 0.62 H new ATOM 0 HG2 LYS A 445 -7.107 -14.691 -12.079 1.00 1.31 H new ATOM 0 HG3 LYS A 445 -6.307 -14.982 -10.547 1.00 1.31 H new ATOM 0 HD2 LYS A 445 -5.258 -12.995 -11.337 1.00 1.56 H new ATOM 0 HD3 LYS A 445 -4.107 -14.247 -11.759 1.00 1.56 H new ATOM 0 HE2 LYS A 445 -4.757 -14.229 -14.083 1.00 2.23 H new ATOM 0 HE3 LYS A 445 -6.278 -13.428 -13.747 1.00 2.23 H new ATOM 0 HZ1 LYS A 445 -4.605 -11.835 -14.537 1.00 2.52 H new ATOM 0 HZ2 LYS A 445 -5.041 -11.479 -12.935 1.00 2.52 H new ATOM 0 HZ3 LYS A 445 -3.567 -12.256 -13.261 1.00 2.52 H new ATOM 1032 N GLN A 446 -7.462 -18.487 -10.585 1.00 0.53 N ATOM 1033 CA GLN A 446 -8.744 -18.796 -9.890 1.00 0.56 C ATOM 1034 C GLN A 446 -8.470 -19.286 -8.465 1.00 0.52 C ATOM 1035 O GLN A 446 -9.171 -18.940 -7.535 1.00 0.51 O ATOM 1036 CB GLN A 446 -9.386 -19.906 -10.724 1.00 0.64 C ATOM 1037 CG GLN A 446 -10.191 -19.285 -11.868 1.00 1.11 C ATOM 1038 CD GLN A 446 -10.138 -20.207 -13.087 1.00 1.79 C ATOM 1039 OE1 GLN A 446 -9.238 -21.013 -13.216 1.00 2.45 O ATOM 1040 NE2 GLN A 446 -11.072 -20.123 -13.995 1.00 2.40 N ATOM 0 H GLN A 446 -7.234 -19.102 -11.366 1.00 0.53 H new ATOM 0 HA GLN A 446 -9.390 -17.922 -9.805 1.00 0.56 H new ATOM 0 HB2 GLN A 446 -8.616 -20.567 -11.124 1.00 0.64 H new ATOM 0 HB3 GLN A 446 -10.036 -20.516 -10.097 1.00 0.64 H new ATOM 0 HG2 GLN A 446 -11.225 -19.133 -11.559 1.00 1.11 H new ATOM 0 HG3 GLN A 446 -9.786 -18.305 -12.122 1.00 1.11 H new ATOM 0 HE21 GLN A 446 -11.828 -19.447 -13.888 1.00 2.40 H new ATOM 0 HE22 GLN A 446 -11.046 -20.734 -14.812 1.00 2.40 H new ATOM 1049 N GLU A 447 -7.458 -20.090 -8.288 1.00 0.52 N ATOM 1050 CA GLU A 447 -7.142 -20.603 -6.924 1.00 0.51 C ATOM 1051 C GLU A 447 -6.950 -19.435 -5.951 1.00 0.45 C ATOM 1052 O GLU A 447 -7.399 -19.475 -4.823 1.00 0.45 O ATOM 1053 CB GLU A 447 -5.838 -21.385 -7.086 1.00 0.53 C ATOM 1054 CG GLU A 447 -6.155 -22.831 -7.470 1.00 0.80 C ATOM 1055 CD GLU A 447 -4.950 -23.719 -7.156 1.00 1.32 C ATOM 1056 OE1 GLU A 447 -4.878 -24.214 -6.043 1.00 1.96 O ATOM 1057 OE2 GLU A 447 -4.120 -23.889 -8.034 1.00 2.14 O ATOM 0 H GLU A 447 -6.836 -20.414 -9.028 1.00 0.52 H new ATOM 0 HA GLU A 447 -7.942 -21.224 -6.521 1.00 0.51 H new ATOM 0 HB2 GLU A 447 -5.217 -20.922 -7.852 1.00 0.53 H new ATOM 0 HB3 GLU A 447 -5.269 -21.361 -6.157 1.00 0.53 H new ATOM 0 HG2 GLU A 447 -7.030 -23.180 -6.922 1.00 0.80 H new ATOM 0 HG3 GLU A 447 -6.398 -22.892 -8.531 1.00 0.80 H new ATOM 1064 N ALA A 448 -6.287 -18.397 -6.381 1.00 0.42 N ATOM 1065 CA ALA A 448 -6.065 -17.225 -5.482 1.00 0.39 C ATOM 1066 C ALA A 448 -7.393 -16.764 -4.872 1.00 0.40 C ATOM 1067 O ALA A 448 -7.424 -16.139 -3.830 1.00 0.40 O ATOM 1068 CB ALA A 448 -5.482 -16.138 -6.385 1.00 0.39 C ATOM 0 H ALA A 448 -5.889 -18.308 -7.316 1.00 0.42 H new ATOM 0 HA ALA A 448 -5.402 -17.463 -4.650 1.00 0.39 H new ATOM 0 HB1 ALA A 448 -5.290 -15.241 -5.797 1.00 0.39 H new ATOM 0 HB2 ALA A 448 -4.548 -16.491 -6.823 1.00 0.39 H new ATOM 0 HB3 ALA A 448 -6.191 -15.906 -7.180 1.00 0.39 H new ATOM 1074 N ALA A 449 -8.490 -17.066 -5.512 1.00 0.44 N ATOM 1075 CA ALA A 449 -9.811 -16.645 -4.965 1.00 0.47 C ATOM 1076 C ALA A 449 -10.000 -17.196 -3.550 1.00 0.48 C ATOM 1077 O ALA A 449 -10.103 -16.456 -2.592 1.00 0.49 O ATOM 1078 CB ALA A 449 -10.843 -17.255 -5.916 1.00 0.52 C ATOM 0 H ALA A 449 -8.528 -17.585 -6.389 1.00 0.44 H new ATOM 0 HA ALA A 449 -9.903 -15.561 -4.899 1.00 0.47 H new ATOM 0 HB1 ALA A 449 -11.846 -16.991 -5.582 1.00 0.52 H new ATOM 0 HB2 ALA A 449 -10.682 -16.870 -6.923 1.00 0.52 H new ATOM 0 HB3 ALA A 449 -10.736 -18.340 -5.921 1.00 0.52 H new ATOM 1084 N ARG A 450 -10.049 -18.493 -3.414 1.00 0.49 N ATOM 1085 CA ARG A 450 -10.235 -19.097 -2.062 1.00 0.52 C ATOM 1086 C ARG A 450 -9.018 -18.812 -1.177 1.00 0.49 C ATOM 1087 O ARG A 450 -9.129 -18.698 0.027 1.00 0.50 O ATOM 1088 CB ARG A 450 -10.373 -20.599 -2.318 1.00 0.56 C ATOM 1089 CG ARG A 450 -11.689 -21.100 -1.719 1.00 0.78 C ATOM 1090 CD ARG A 450 -11.520 -22.549 -1.257 1.00 1.37 C ATOM 1091 NE ARG A 450 -11.736 -23.369 -2.481 1.00 1.77 N ATOM 1092 CZ ARG A 450 -11.947 -24.653 -2.377 1.00 2.35 C ATOM 1093 NH1 ARG A 450 -11.014 -25.431 -1.899 1.00 2.97 N ATOM 1094 NH2 ARG A 450 -13.090 -25.159 -2.751 1.00 2.93 N ATOM 0 H ARG A 450 -9.968 -19.161 -4.180 1.00 0.49 H new ATOM 0 HA ARG A 450 -11.102 -18.688 -1.544 1.00 0.52 H new ATOM 0 HB2 ARG A 450 -10.349 -20.800 -3.389 1.00 0.56 H new ATOM 0 HB3 ARG A 450 -9.533 -21.133 -1.875 1.00 0.56 H new ATOM 0 HG2 ARG A 450 -11.981 -20.471 -0.878 1.00 0.78 H new ATOM 0 HG3 ARG A 450 -12.486 -21.034 -2.459 1.00 0.78 H new ATOM 0 HD2 ARG A 450 -10.528 -22.717 -0.839 1.00 1.37 H new ATOM 0 HD3 ARG A 450 -12.241 -22.802 -0.479 1.00 1.37 H new ATOM 0 HE ARG A 450 -11.719 -22.928 -3.400 1.00 1.77 H new ATOM 0 HH11 ARG A 450 -10.120 -25.036 -1.607 1.00 2.97 H new ATOM 0 HH12 ARG A 450 -11.179 -26.434 -1.818 1.00 2.97 H new ATOM 0 HH21 ARG A 450 -13.819 -24.551 -3.125 1.00 2.93 H new ATOM 0 HH22 ARG A 450 -13.255 -26.162 -2.670 1.00 2.93 H new ATOM 1108 N LEU A 451 -7.857 -18.698 -1.763 1.00 0.47 N ATOM 1109 CA LEU A 451 -6.637 -18.422 -0.951 1.00 0.47 C ATOM 1110 C LEU A 451 -6.744 -17.048 -0.283 1.00 0.44 C ATOM 1111 O LEU A 451 -6.174 -16.812 0.764 1.00 0.48 O ATOM 1112 CB LEU A 451 -5.481 -18.443 -1.952 1.00 0.46 C ATOM 1113 CG LEU A 451 -4.903 -19.857 -2.030 1.00 0.53 C ATOM 1114 CD1 LEU A 451 -4.485 -20.158 -3.471 1.00 0.92 C ATOM 1115 CD2 LEU A 451 -3.681 -19.959 -1.115 1.00 1.04 C ATOM 0 H LEU A 451 -7.700 -18.784 -2.767 1.00 0.47 H new ATOM 0 HA LEU A 451 -6.499 -19.152 -0.153 1.00 0.47 H new ATOM 0 HB2 LEU A 451 -5.830 -18.126 -2.935 1.00 0.46 H new ATOM 0 HB3 LEU A 451 -4.708 -17.738 -1.646 1.00 0.46 H new ATOM 0 HG LEU A 451 -5.658 -20.576 -1.712 1.00 0.53 H new ATOM 0 HD11 LEU A 451 -4.073 -21.166 -3.527 1.00 0.92 H new ATOM 0 HD12 LEU A 451 -5.354 -20.084 -4.125 1.00 0.92 H new ATOM 0 HD13 LEU A 451 -3.730 -19.439 -3.789 1.00 0.92 H new ATOM 0 HD21 LEU A 451 -3.268 -20.966 -1.170 1.00 1.04 H new ATOM 0 HD22 LEU A 451 -2.927 -19.240 -1.434 1.00 1.04 H new ATOM 0 HD23 LEU A 451 -3.976 -19.743 -0.088 1.00 1.04 H new ATOM 1127 N LEU A 452 -7.469 -16.143 -0.880 1.00 0.42 N ATOM 1128 CA LEU A 452 -7.611 -14.785 -0.277 1.00 0.41 C ATOM 1129 C LEU A 452 -9.023 -14.593 0.289 1.00 0.46 C ATOM 1130 O LEU A 452 -9.425 -13.492 0.610 1.00 0.51 O ATOM 1131 CB LEU A 452 -7.364 -13.810 -1.430 1.00 0.37 C ATOM 1132 CG LEU A 452 -5.989 -14.074 -2.049 1.00 0.35 C ATOM 1133 CD1 LEU A 452 -5.969 -13.550 -3.485 1.00 0.31 C ATOM 1134 CD2 LEU A 452 -4.914 -13.354 -1.232 1.00 0.43 C ATOM 0 H LEU A 452 -7.969 -16.283 -1.758 1.00 0.42 H new ATOM 0 HA LEU A 452 -6.916 -14.631 0.548 1.00 0.41 H new ATOM 0 HB2 LEU A 452 -8.141 -13.923 -2.186 1.00 0.37 H new ATOM 0 HB3 LEU A 452 -7.419 -12.783 -1.068 1.00 0.37 H new ATOM 0 HG LEU A 452 -5.790 -15.146 -2.048 1.00 0.35 H new ATOM 0 HD11 LEU A 452 -4.990 -13.737 -3.927 1.00 0.31 H new ATOM 0 HD12 LEU A 452 -6.735 -14.060 -4.069 1.00 0.31 H new ATOM 0 HD13 LEU A 452 -6.168 -12.478 -3.484 1.00 0.31 H new ATOM 0 HD21 LEU A 452 -3.935 -13.542 -1.673 1.00 0.43 H new ATOM 0 HD22 LEU A 452 -5.113 -12.282 -1.233 1.00 0.43 H new ATOM 0 HD23 LEU A 452 -4.927 -13.724 -0.207 1.00 0.43 H new ATOM 1146 N GLY A 453 -9.781 -15.650 0.412 1.00 0.50 N ATOM 1147 CA GLY A 453 -11.163 -15.513 0.955 1.00 0.56 C ATOM 1148 C GLY A 453 -11.951 -14.527 0.093 1.00 0.58 C ATOM 1149 O GLY A 453 -12.698 -13.709 0.590 1.00 0.68 O ATOM 0 H GLY A 453 -9.504 -16.599 0.161 1.00 0.50 H new ATOM 0 HA2 GLY A 453 -11.660 -16.483 0.964 1.00 0.56 H new ATOM 0 HA3 GLY A 453 -11.127 -15.163 1.987 1.00 0.56 H new ATOM 1153 N TRP A 454 -11.783 -14.597 -1.198 1.00 0.54 N ATOM 1154 CA TRP A 454 -12.516 -13.663 -2.101 1.00 0.60 C ATOM 1155 C TRP A 454 -13.549 -14.426 -2.933 1.00 0.68 C ATOM 1156 O TRP A 454 -14.732 -14.400 -2.652 1.00 1.16 O ATOM 1157 CB TRP A 454 -11.435 -13.068 -3.010 1.00 0.53 C ATOM 1158 CG TRP A 454 -10.837 -11.843 -2.378 1.00 0.53 C ATOM 1159 CD1 TRP A 454 -10.888 -11.532 -1.057 1.00 0.58 C ATOM 1160 CD2 TRP A 454 -10.094 -10.768 -3.022 1.00 0.50 C ATOM 1161 NE1 TRP A 454 -10.226 -10.334 -0.851 1.00 0.58 N ATOM 1162 CE2 TRP A 454 -9.717 -9.821 -2.026 1.00 0.52 C ATOM 1163 CE3 TRP A 454 -9.710 -10.519 -4.366 1.00 0.51 C ATOM 1164 CZ2 TRP A 454 -8.985 -8.665 -2.351 1.00 0.52 C ATOM 1165 CZ3 TRP A 454 -8.973 -9.356 -4.698 1.00 0.53 C ATOM 1166 CH2 TRP A 454 -8.611 -8.431 -3.691 1.00 0.52 C ATOM 0 H TRP A 454 -11.169 -15.262 -1.669 1.00 0.54 H new ATOM 0 HA TRP A 454 -13.059 -12.897 -1.548 1.00 0.60 H new ATOM 0 HB2 TRP A 454 -10.656 -13.808 -3.192 1.00 0.53 H new ATOM 0 HB3 TRP A 454 -11.865 -12.813 -3.978 1.00 0.53 H new ATOM 0 HD1 TRP A 454 -11.367 -12.124 -0.291 1.00 0.58 H new ATOM 0 HE1 TRP A 454 -10.127 -9.885 0.059 1.00 0.58 H new ATOM 0 HE3 TRP A 454 -9.982 -11.221 -5.140 1.00 0.51 H new ATOM 0 HZ2 TRP A 454 -8.711 -7.961 -1.579 1.00 0.52 H new ATOM 0 HZ3 TRP A 454 -8.686 -9.175 -5.723 1.00 0.53 H new ATOM 0 HH2 TRP A 454 -8.048 -7.546 -3.948 1.00 0.52 H new ATOM 1177 N GLY A 455 -13.111 -15.105 -3.958 1.00 0.72 N ATOM 1178 CA GLY A 455 -14.063 -15.868 -4.813 1.00 0.72 C ATOM 1179 C GLY A 455 -13.788 -15.547 -6.283 1.00 0.70 C ATOM 1180 O GLY A 455 -12.797 -14.930 -6.614 1.00 0.64 O ATOM 0 H GLY A 455 -12.133 -15.164 -4.240 1.00 0.72 H new ATOM 0 HA2 GLY A 455 -13.953 -16.938 -4.635 1.00 0.72 H new ATOM 0 HA3 GLY A 455 -15.090 -15.607 -4.557 1.00 0.72 H new ATOM 1184 N ALA A 456 -14.656 -15.955 -7.166 1.00 0.77 N ATOM 1185 CA ALA A 456 -14.436 -15.665 -8.612 1.00 0.77 C ATOM 1186 C ALA A 456 -15.048 -14.309 -8.969 1.00 0.82 C ATOM 1187 O ALA A 456 -14.582 -13.618 -9.854 1.00 0.83 O ATOM 1188 CB ALA A 456 -15.152 -16.791 -9.358 1.00 0.84 C ATOM 0 H ALA A 456 -15.506 -16.475 -6.951 1.00 0.77 H new ATOM 0 HA ALA A 456 -13.378 -15.618 -8.871 1.00 0.77 H new ATOM 0 HB1 ALA A 456 -15.035 -16.647 -10.432 1.00 0.84 H new ATOM 0 HB2 ALA A 456 -14.720 -17.750 -9.071 1.00 0.84 H new ATOM 0 HB3 ALA A 456 -16.212 -16.780 -9.103 1.00 0.84 H new ATOM 1194 N ALA A 457 -16.088 -13.922 -8.283 1.00 0.90 N ATOM 1195 CA ALA A 457 -16.727 -12.609 -8.579 1.00 0.97 C ATOM 1196 C ALA A 457 -15.814 -11.469 -8.121 1.00 0.89 C ATOM 1197 O ALA A 457 -15.699 -10.452 -8.774 1.00 0.91 O ATOM 1198 CB ALA A 457 -18.029 -12.613 -7.779 1.00 1.08 C ATOM 0 H ALA A 457 -16.522 -14.457 -7.531 1.00 0.90 H new ATOM 0 HA ALA A 457 -16.908 -12.464 -9.644 1.00 0.97 H new ATOM 0 HB1 ALA A 457 -18.560 -11.676 -7.944 1.00 1.08 H new ATOM 0 HB2 ALA A 457 -18.653 -13.446 -8.103 1.00 1.08 H new ATOM 0 HB3 ALA A 457 -17.804 -12.720 -6.718 1.00 1.08 H new ATOM 1204 N THR A 458 -15.161 -11.636 -7.003 1.00 0.84 N ATOM 1205 CA THR A 458 -14.251 -10.565 -6.504 1.00 0.77 C ATOM 1206 C THR A 458 -12.969 -10.538 -7.340 1.00 0.68 C ATOM 1207 O THR A 458 -12.593 -9.518 -7.883 1.00 0.67 O ATOM 1208 CB THR A 458 -13.944 -10.952 -5.057 1.00 0.76 C ATOM 1209 OG1 THR A 458 -15.161 -11.079 -4.335 1.00 0.85 O ATOM 1210 CG2 THR A 458 -13.076 -9.871 -4.411 1.00 0.72 C ATOM 0 H THR A 458 -15.218 -12.467 -6.414 1.00 0.84 H new ATOM 0 HA THR A 458 -14.697 -9.573 -6.572 1.00 0.77 H new ATOM 0 HB THR A 458 -13.410 -11.902 -5.040 1.00 0.76 H new ATOM 0 HG1 THR A 458 -14.967 -11.329 -3.408 1.00 0.85 H new ATOM 0 HG21 THR A 458 -12.858 -10.148 -3.380 1.00 0.72 H new ATOM 0 HG22 THR A 458 -12.143 -9.774 -4.966 1.00 0.72 H new ATOM 0 HG23 THR A 458 -13.608 -8.920 -4.427 1.00 0.72 H new ATOM 1218 N LEU A 459 -12.298 -11.652 -7.454 1.00 0.64 N ATOM 1219 CA LEU A 459 -11.044 -11.690 -8.260 1.00 0.57 C ATOM 1220 C LEU A 459 -11.305 -11.124 -9.659 1.00 0.60 C ATOM 1221 O LEU A 459 -10.430 -10.558 -10.285 1.00 0.58 O ATOM 1222 CB LEU A 459 -10.666 -13.171 -8.338 1.00 0.56 C ATOM 1223 CG LEU A 459 -9.279 -13.377 -7.727 1.00 0.47 C ATOM 1224 CD1 LEU A 459 -9.189 -14.771 -7.113 1.00 0.48 C ATOM 1225 CD2 LEU A 459 -8.215 -13.245 -8.813 1.00 0.46 C ATOM 0 H LEU A 459 -12.564 -12.538 -7.024 1.00 0.64 H new ATOM 0 HA LEU A 459 -10.247 -11.093 -7.818 1.00 0.57 H new ATOM 0 HB2 LEU A 459 -11.402 -13.774 -7.806 1.00 0.56 H new ATOM 0 HB3 LEU A 459 -10.671 -13.504 -9.376 1.00 0.56 H new ATOM 0 HG LEU A 459 -9.115 -12.624 -6.956 1.00 0.47 H new ATOM 0 HD11 LEU A 459 -8.200 -14.914 -6.679 1.00 0.48 H new ATOM 0 HD12 LEU A 459 -9.945 -14.875 -6.335 1.00 0.48 H new ATOM 0 HD13 LEU A 459 -9.358 -15.521 -7.886 1.00 0.48 H new ATOM 0 HD21 LEU A 459 -7.228 -13.392 -8.375 1.00 0.46 H new ATOM 0 HD22 LEU A 459 -8.386 -13.997 -9.583 1.00 0.46 H new ATOM 0 HD23 LEU A 459 -8.270 -12.251 -9.258 1.00 0.46 H new ATOM 1237 N THR A 460 -12.506 -11.266 -10.150 1.00 0.68 N ATOM 1238 CA THR A 460 -12.828 -10.732 -11.504 1.00 0.74 C ATOM 1239 C THR A 460 -13.337 -9.292 -11.394 1.00 0.76 C ATOM 1240 O THR A 460 -12.876 -8.405 -12.084 1.00 0.75 O ATOM 1241 CB THR A 460 -13.928 -11.650 -12.042 1.00 0.83 C ATOM 1242 OG1 THR A 460 -13.416 -12.970 -12.178 1.00 0.82 O ATOM 1243 CG2 THR A 460 -14.400 -11.141 -13.405 1.00 0.92 C ATOM 0 H THR A 460 -13.279 -11.729 -9.672 1.00 0.68 H new ATOM 0 HA THR A 460 -11.957 -10.714 -12.159 1.00 0.74 H new ATOM 0 HB THR A 460 -14.769 -11.655 -11.348 1.00 0.83 H new ATOM 0 HG1 THR A 460 -13.626 -13.487 -11.372 1.00 0.82 H new ATOM 0 HG21 THR A 460 -15.183 -11.796 -13.787 1.00 0.92 H new ATOM 0 HG22 THR A 460 -14.792 -10.129 -13.300 1.00 0.92 H new ATOM 0 HG23 THR A 460 -13.561 -11.134 -14.101 1.00 0.92 H new ATOM 1251 N ALA A 461 -14.283 -9.052 -10.526 1.00 0.81 N ATOM 1252 CA ALA A 461 -14.817 -7.668 -10.370 1.00 0.85 C ATOM 1253 C ALA A 461 -13.700 -6.720 -9.927 1.00 0.79 C ATOM 1254 O ALA A 461 -13.637 -5.581 -10.343 1.00 0.83 O ATOM 1255 CB ALA A 461 -15.891 -7.778 -9.287 1.00 0.92 C ATOM 0 H ALA A 461 -14.708 -9.753 -9.919 1.00 0.81 H new ATOM 0 HA ALA A 461 -15.219 -7.271 -11.302 1.00 0.85 H new ATOM 0 HB1 ALA A 461 -16.334 -6.797 -9.113 1.00 0.92 H new ATOM 0 HB2 ALA A 461 -16.665 -8.473 -9.611 1.00 0.92 H new ATOM 0 HB3 ALA A 461 -15.441 -8.142 -8.363 1.00 0.92 H new ATOM 1261 N LYS A 462 -12.817 -7.184 -9.085 1.00 0.72 N ATOM 1262 CA LYS A 462 -11.703 -6.310 -8.619 1.00 0.68 C ATOM 1263 C LYS A 462 -10.768 -5.989 -9.788 1.00 0.66 C ATOM 1264 O LYS A 462 -10.145 -4.946 -9.828 1.00 0.67 O ATOM 1265 CB LYS A 462 -10.971 -7.132 -7.557 1.00 0.66 C ATOM 1266 CG LYS A 462 -11.830 -7.209 -6.293 1.00 0.99 C ATOM 1267 CD LYS A 462 -12.016 -5.804 -5.716 1.00 0.91 C ATOM 1268 CE LYS A 462 -11.469 -5.762 -4.288 1.00 1.31 C ATOM 1269 NZ LYS A 462 -10.690 -4.495 -4.212 1.00 1.39 N ATOM 0 H LYS A 462 -12.819 -8.129 -8.700 1.00 0.72 H new ATOM 0 HA LYS A 462 -12.059 -5.359 -8.222 1.00 0.68 H new ATOM 0 HB2 LYS A 462 -10.768 -8.135 -7.933 1.00 0.66 H new ATOM 0 HB3 LYS A 462 -10.008 -6.676 -7.328 1.00 0.66 H new ATOM 0 HG2 LYS A 462 -12.800 -7.649 -6.526 1.00 0.99 H new ATOM 0 HG3 LYS A 462 -11.354 -7.856 -5.556 1.00 0.99 H new ATOM 0 HD2 LYS A 462 -11.498 -5.073 -6.337 1.00 0.91 H new ATOM 0 HD3 LYS A 462 -13.072 -5.535 -5.720 1.00 0.91 H new ATOM 0 HE2 LYS A 462 -12.276 -5.774 -3.555 1.00 1.31 H new ATOM 0 HE3 LYS A 462 -10.838 -6.626 -4.081 1.00 1.31 H new ATOM 0 HZ1 LYS A 462 -10.283 -4.395 -3.260 1.00 1.39 H new ATOM 0 HZ2 LYS A 462 -9.925 -4.515 -4.916 1.00 1.39 H new ATOM 0 HZ3 LYS A 462 -11.318 -3.689 -4.406 1.00 1.39 H new ATOM 1283 N LEU A 463 -10.670 -6.876 -10.739 1.00 0.65 N ATOM 1284 CA LEU A 463 -9.779 -6.623 -11.907 1.00 0.65 C ATOM 1285 C LEU A 463 -10.269 -5.400 -12.688 1.00 0.68 C ATOM 1286 O LEU A 463 -9.488 -4.635 -13.217 1.00 0.70 O ATOM 1287 CB LEU A 463 -9.885 -7.885 -12.764 1.00 0.68 C ATOM 1288 CG LEU A 463 -8.605 -8.055 -13.586 1.00 0.81 C ATOM 1289 CD1 LEU A 463 -7.778 -9.207 -13.013 1.00 0.99 C ATOM 1290 CD2 LEU A 463 -8.972 -8.365 -15.039 1.00 0.99 C ATOM 0 H LEU A 463 -11.168 -7.766 -10.758 1.00 0.65 H new ATOM 0 HA LEU A 463 -8.751 -6.418 -11.608 1.00 0.65 H new ATOM 0 HB2 LEU A 463 -10.040 -8.757 -12.128 1.00 0.68 H new ATOM 0 HB3 LEU A 463 -10.748 -7.816 -13.426 1.00 0.68 H new ATOM 0 HG LEU A 463 -8.022 -7.135 -13.545 1.00 0.81 H new ATOM 0 HD11 LEU A 463 -6.867 -9.327 -13.599 1.00 0.99 H new ATOM 0 HD12 LEU A 463 -7.517 -8.988 -11.978 1.00 0.99 H new ATOM 0 HD13 LEU A 463 -8.360 -10.128 -13.054 1.00 0.99 H new ATOM 0 HD21 LEU A 463 -8.062 -8.486 -15.626 1.00 0.99 H new ATOM 0 HD22 LEU A 463 -9.555 -9.285 -15.079 1.00 0.99 H new ATOM 0 HD23 LEU A 463 -9.561 -7.544 -15.448 1.00 0.99 H new ATOM 1302 N LYS A 464 -11.558 -5.212 -12.763 1.00 0.72 N ATOM 1303 CA LYS A 464 -12.100 -4.039 -13.507 1.00 0.77 C ATOM 1304 C LYS A 464 -12.246 -2.839 -12.568 1.00 0.76 C ATOM 1305 O LYS A 464 -11.894 -1.726 -12.908 1.00 0.82 O ATOM 1306 CB LYS A 464 -13.470 -4.491 -14.017 1.00 0.85 C ATOM 1307 CG LYS A 464 -13.893 -3.612 -15.195 1.00 1.20 C ATOM 1308 CD LYS A 464 -13.689 -4.378 -16.503 1.00 1.62 C ATOM 1309 CE LYS A 464 -12.537 -3.749 -17.288 1.00 2.25 C ATOM 1310 NZ LYS A 464 -12.887 -3.964 -18.720 1.00 2.66 N ATOM 0 H LYS A 464 -12.260 -5.820 -12.341 1.00 0.72 H new ATOM 0 HA LYS A 464 -11.445 -3.728 -14.321 1.00 0.77 H new ATOM 0 HB2 LYS A 464 -13.428 -5.535 -14.326 1.00 0.85 H new ATOM 0 HB3 LYS A 464 -14.207 -4.425 -13.217 1.00 0.85 H new ATOM 0 HG2 LYS A 464 -14.939 -3.323 -15.090 1.00 1.20 H new ATOM 0 HG3 LYS A 464 -13.308 -2.692 -15.205 1.00 1.20 H new ATOM 0 HD2 LYS A 464 -13.471 -5.425 -16.293 1.00 1.62 H new ATOM 0 HD3 LYS A 464 -14.603 -4.355 -17.097 1.00 1.62 H new ATOM 0 HE2 LYS A 464 -12.437 -2.688 -17.061 1.00 2.25 H new ATOM 0 HE3 LYS A 464 -11.586 -4.219 -17.039 1.00 2.25 H new ATOM 0 HZ1 LYS A 464 -12.143 -3.559 -19.324 1.00 2.66 H new ATOM 0 HZ2 LYS A 464 -12.969 -4.984 -18.908 1.00 2.66 H new ATOM 0 HZ3 LYS A 464 -13.794 -3.499 -18.929 1.00 2.66 H new ATOM 1324 N GLU A 465 -12.762 -3.057 -11.391 1.00 0.73 N ATOM 1325 CA GLU A 465 -12.930 -1.929 -10.428 1.00 0.76 C ATOM 1326 C GLU A 465 -11.603 -1.190 -10.242 1.00 0.69 C ATOM 1327 O GLU A 465 -11.541 0.022 -10.300 1.00 0.85 O ATOM 1328 CB GLU A 465 -13.365 -2.588 -9.120 1.00 0.79 C ATOM 1329 CG GLU A 465 -13.991 -1.538 -8.200 1.00 1.12 C ATOM 1330 CD GLU A 465 -14.332 -2.176 -6.853 1.00 1.42 C ATOM 1331 OE1 GLU A 465 -14.673 -3.347 -6.844 1.00 2.03 O ATOM 1332 OE2 GLU A 465 -14.245 -1.483 -5.853 1.00 1.95 O ATOM 0 H GLU A 465 -13.075 -3.967 -11.053 1.00 0.73 H new ATOM 0 HA GLU A 465 -13.656 -1.194 -10.775 1.00 0.76 H new ATOM 0 HB2 GLU A 465 -14.083 -3.383 -9.323 1.00 0.79 H new ATOM 0 HB3 GLU A 465 -12.507 -3.050 -8.631 1.00 0.79 H new ATOM 0 HG2 GLU A 465 -13.300 -0.707 -8.056 1.00 1.12 H new ATOM 0 HG3 GLU A 465 -14.891 -1.128 -8.658 1.00 1.12 H new ATOM 1339 N LEU A 466 -10.539 -1.912 -10.018 1.00 0.56 N ATOM 1340 CA LEU A 466 -9.216 -1.251 -9.828 1.00 0.59 C ATOM 1341 C LEU A 466 -8.838 -0.451 -11.077 1.00 0.70 C ATOM 1342 O LEU A 466 -8.109 0.518 -11.009 1.00 0.81 O ATOM 1343 CB LEU A 466 -8.232 -2.399 -9.606 1.00 0.56 C ATOM 1344 CG LEU A 466 -8.460 -3.012 -8.225 1.00 0.54 C ATOM 1345 CD1 LEU A 466 -7.519 -4.202 -8.030 1.00 0.62 C ATOM 1346 CD2 LEU A 466 -8.178 -1.960 -7.148 1.00 0.52 C ATOM 0 H LEU A 466 -10.528 -2.930 -9.958 1.00 0.56 H new ATOM 0 HA LEU A 466 -9.220 -0.549 -8.994 1.00 0.59 H new ATOM 0 HB2 LEU A 466 -8.363 -3.158 -10.378 1.00 0.56 H new ATOM 0 HB3 LEU A 466 -7.208 -2.034 -9.688 1.00 0.56 H new ATOM 0 HG LEU A 466 -9.493 -3.350 -8.145 1.00 0.54 H new ATOM 0 HD11 LEU A 466 -7.683 -4.638 -7.045 1.00 0.62 H new ATOM 0 HD12 LEU A 466 -7.717 -4.952 -8.796 1.00 0.62 H new ATOM 0 HD13 LEU A 466 -6.485 -3.865 -8.110 1.00 0.62 H new ATOM 0 HD21 LEU A 466 -8.340 -2.396 -6.162 1.00 0.52 H new ATOM 0 HD22 LEU A 466 -7.145 -1.623 -7.230 1.00 0.52 H new ATOM 0 HD23 LEU A 466 -8.848 -1.111 -7.284 1.00 0.52 H new ATOM 1358 N GLY A 467 -9.329 -0.849 -12.220 1.00 0.77 N ATOM 1359 CA GLY A 467 -8.996 -0.111 -13.471 1.00 0.97 C ATOM 1360 C GLY A 467 -9.818 1.178 -13.539 1.00 1.08 C ATOM 1361 O GLY A 467 -9.349 2.201 -13.994 1.00 1.38 O ATOM 0 H GLY A 467 -9.946 -1.653 -12.341 1.00 0.77 H new ATOM 0 HA2 GLY A 467 -7.932 0.122 -13.495 1.00 0.97 H new ATOM 0 HA3 GLY A 467 -9.206 -0.735 -14.340 1.00 0.97 H new ATOM 1723 N TRP B 402 7.004 -1.814 2.363 1.00 0.95 N ATOM 1724 CA TRP B 402 5.681 -2.497 2.483 1.00 0.86 C ATOM 1725 C TRP B 402 5.620 -3.757 1.616 1.00 0.79 C ATOM 1726 O TRP B 402 5.460 -4.850 2.116 1.00 0.71 O ATOM 1727 CB TRP B 402 4.671 -1.469 1.982 1.00 0.96 C ATOM 1728 CG TRP B 402 3.510 -1.434 2.913 1.00 0.84 C ATOM 1729 CD1 TRP B 402 3.486 -0.772 4.090 1.00 0.94 C ATOM 1730 CD2 TRP B 402 2.214 -2.080 2.775 1.00 0.76 C ATOM 1731 NE1 TRP B 402 2.252 -0.963 4.689 1.00 1.00 N ATOM 1732 CE2 TRP B 402 1.429 -1.762 3.921 1.00 0.83 C ATOM 1733 CE3 TRP B 402 1.640 -2.906 1.773 1.00 0.78 C ATOM 1734 CZ2 TRP B 402 0.117 -2.248 4.070 1.00 0.83 C ATOM 1735 CZ3 TRP B 402 0.320 -3.398 1.919 1.00 0.72 C ATOM 1736 CH2 TRP B 402 -0.440 -3.068 3.066 1.00 0.69 C ATOM 0 HA TRP B 402 5.488 -2.820 3.506 1.00 0.86 H new ATOM 0 HB2 TRP B 402 5.135 -0.484 1.922 1.00 0.96 H new ATOM 0 HB3 TRP B 402 4.339 -1.727 0.976 1.00 0.96 H new ATOM 0 HD1 TRP B 402 4.298 -0.188 4.498 1.00 0.94 H new ATOM 0 HE1 TRP B 402 1.984 -0.562 5.588 1.00 1.00 H new ATOM 0 HE3 TRP B 402 2.214 -3.161 0.894 1.00 0.78 H new ATOM 0 HZ2 TRP B 402 -0.460 -1.995 4.947 1.00 0.83 H new ATOM 0 HZ3 TRP B 402 -0.108 -4.027 1.152 1.00 0.72 H new ATOM 0 HH2 TRP B 402 -1.447 -3.444 3.173 1.00 0.69 H new ATOM 1747 N ALA B 403 5.731 -3.614 0.320 1.00 0.85 N ATOM 1748 CA ALA B 403 5.665 -4.809 -0.578 1.00 0.85 C ATOM 1749 C ALA B 403 6.556 -5.937 -0.049 1.00 0.80 C ATOM 1750 O ALA B 403 6.133 -7.069 0.062 1.00 0.76 O ATOM 1751 CB ALA B 403 6.173 -4.313 -1.933 1.00 0.99 C ATOM 0 H ALA B 403 5.865 -2.722 -0.156 1.00 0.85 H new ATOM 0 HA ALA B 403 4.656 -5.216 -0.641 1.00 0.85 H new ATOM 0 HB1 ALA B 403 6.156 -5.133 -2.651 1.00 0.99 H new ATOM 0 HB2 ALA B 403 5.532 -3.506 -2.289 1.00 0.99 H new ATOM 0 HB3 ALA B 403 7.194 -3.945 -1.827 1.00 0.99 H new ATOM 1757 N THR B 404 7.779 -5.640 0.291 1.00 0.82 N ATOM 1758 CA THR B 404 8.672 -6.707 0.823 1.00 0.81 C ATOM 1759 C THR B 404 8.024 -7.349 2.052 1.00 0.70 C ATOM 1760 O THR B 404 8.109 -8.543 2.261 1.00 0.69 O ATOM 1761 CB THR B 404 9.968 -5.991 1.208 1.00 0.89 C ATOM 1762 OG1 THR B 404 10.468 -5.285 0.081 1.00 1.07 O ATOM 1763 CG2 THR B 404 11.002 -7.016 1.672 1.00 0.89 C ATOM 0 H THR B 404 8.197 -4.712 0.224 1.00 0.82 H new ATOM 0 HA THR B 404 8.854 -7.501 0.099 1.00 0.81 H new ATOM 0 HB THR B 404 9.770 -5.289 2.018 1.00 0.89 H new ATOM 0 HG1 THR B 404 11.297 -4.824 0.325 1.00 1.07 H new ATOM 0 HG21 THR B 404 11.924 -6.504 1.946 1.00 0.89 H new ATOM 0 HG22 THR B 404 10.616 -7.556 2.537 1.00 0.89 H new ATOM 0 HG23 THR B 404 11.204 -7.720 0.865 1.00 0.89 H new ATOM 1771 N LEU B 405 7.368 -6.561 2.859 1.00 0.67 N ATOM 1772 CA LEU B 405 6.700 -7.115 4.069 1.00 0.61 C ATOM 1773 C LEU B 405 5.435 -7.875 3.658 1.00 0.53 C ATOM 1774 O LEU B 405 5.018 -8.807 4.315 1.00 0.52 O ATOM 1775 CB LEU B 405 6.351 -5.883 4.919 1.00 0.67 C ATOM 1776 CG LEU B 405 5.728 -6.291 6.267 1.00 0.64 C ATOM 1777 CD1 LEU B 405 4.278 -6.729 6.052 1.00 0.57 C ATOM 1778 CD2 LEU B 405 6.523 -7.442 6.900 1.00 0.64 C ATOM 0 H LEU B 405 7.266 -5.554 2.731 1.00 0.67 H new ATOM 0 HA LEU B 405 7.327 -7.818 4.617 1.00 0.61 H new ATOM 0 HB2 LEU B 405 7.251 -5.294 5.095 1.00 0.67 H new ATOM 0 HB3 LEU B 405 5.655 -5.247 4.372 1.00 0.67 H new ATOM 0 HG LEU B 405 5.756 -5.433 6.939 1.00 0.64 H new ATOM 0 HD11 LEU B 405 3.840 -7.017 7.007 1.00 0.57 H new ATOM 0 HD12 LEU B 405 3.708 -5.904 5.625 1.00 0.57 H new ATOM 0 HD13 LEU B 405 4.252 -7.579 5.370 1.00 0.57 H new ATOM 0 HD21 LEU B 405 6.069 -7.718 7.852 1.00 0.64 H new ATOM 0 HD22 LEU B 405 6.513 -8.302 6.231 1.00 0.64 H new ATOM 0 HD23 LEU B 405 7.552 -7.124 7.067 1.00 0.64 H new ATOM 1790 N LEU B 406 4.826 -7.478 2.575 1.00 0.53 N ATOM 1791 CA LEU B 406 3.589 -8.167 2.114 1.00 0.50 C ATOM 1792 C LEU B 406 3.946 -9.480 1.411 1.00 0.49 C ATOM 1793 O LEU B 406 3.214 -10.447 1.472 1.00 0.45 O ATOM 1794 CB LEU B 406 2.933 -7.186 1.137 1.00 0.57 C ATOM 1795 CG LEU B 406 1.412 -7.342 1.193 1.00 0.59 C ATOM 1796 CD1 LEU B 406 0.915 -7.054 2.610 1.00 0.94 C ATOM 1797 CD2 LEU B 406 0.759 -6.355 0.225 1.00 1.02 C ATOM 0 H LEU B 406 5.133 -6.703 1.988 1.00 0.53 H new ATOM 0 HA LEU B 406 2.924 -8.424 2.938 1.00 0.50 H new ATOM 0 HB2 LEU B 406 3.213 -6.163 1.390 1.00 0.57 H new ATOM 0 HB3 LEU B 406 3.290 -7.373 0.124 1.00 0.57 H new ATOM 0 HG LEU B 406 1.148 -8.362 0.913 1.00 0.59 H new ATOM 0 HD11 LEU B 406 -0.169 -7.166 2.645 1.00 0.94 H new ATOM 0 HD12 LEU B 406 1.375 -7.755 3.306 1.00 0.94 H new ATOM 0 HD13 LEU B 406 1.184 -6.035 2.890 1.00 0.94 H new ATOM 0 HD21 LEU B 406 -0.324 -6.468 0.266 1.00 1.02 H new ATOM 0 HD22 LEU B 406 1.029 -5.337 0.506 1.00 1.02 H new ATOM 0 HD23 LEU B 406 1.106 -6.556 -0.789 1.00 1.02 H new ATOM 1809 N ALA B 407 5.071 -9.523 0.751 1.00 0.56 N ATOM 1810 CA ALA B 407 5.474 -10.776 0.053 1.00 0.59 C ATOM 1811 C ALA B 407 5.930 -11.814 1.080 1.00 0.57 C ATOM 1812 O ALA B 407 5.680 -12.995 0.937 1.00 0.61 O ATOM 1813 CB ALA B 407 6.634 -10.368 -0.856 1.00 0.70 C ATOM 0 H ALA B 407 5.727 -8.747 0.665 1.00 0.56 H new ATOM 0 HA ALA B 407 4.657 -11.222 -0.514 1.00 0.59 H new ATOM 0 HB1 ALA B 407 6.989 -11.239 -1.407 1.00 0.70 H new ATOM 0 HB2 ALA B 407 6.295 -9.607 -1.559 1.00 0.70 H new ATOM 0 HB3 ALA B 407 7.447 -9.966 -0.251 1.00 0.70 H new ATOM 1819 N GLN B 408 6.592 -11.382 2.119 1.00 0.57 N ATOM 1820 CA GLN B 408 7.057 -12.341 3.160 1.00 0.57 C ATOM 1821 C GLN B 408 5.913 -12.651 4.130 1.00 0.50 C ATOM 1822 O GLN B 408 5.778 -13.758 4.612 1.00 0.50 O ATOM 1823 CB GLN B 408 8.197 -11.620 3.883 1.00 0.62 C ATOM 1824 CG GLN B 408 9.500 -11.817 3.107 1.00 0.75 C ATOM 1825 CD GLN B 408 10.641 -12.095 4.087 1.00 0.78 C ATOM 1826 OE1 GLN B 408 10.756 -11.442 5.105 1.00 1.29 O ATOM 1827 NE2 GLN B 408 11.496 -13.045 3.821 1.00 1.46 N ATOM 0 H GLN B 408 6.831 -10.405 2.291 1.00 0.57 H new ATOM 0 HA GLN B 408 7.384 -13.291 2.736 1.00 0.57 H new ATOM 0 HB2 GLN B 408 7.971 -10.557 3.971 1.00 0.62 H new ATOM 0 HB3 GLN B 408 8.302 -12.009 4.896 1.00 0.62 H new ATOM 0 HG2 GLN B 408 9.397 -12.647 2.408 1.00 0.75 H new ATOM 0 HG3 GLN B 408 9.722 -10.928 2.517 1.00 0.75 H new ATOM 0 HE21 GLN B 408 11.400 -13.593 2.966 1.00 1.46 H new ATOM 0 HE22 GLN B 408 12.260 -13.239 4.468 1.00 1.46 H new ATOM 1836 N TRP B 409 5.089 -11.681 4.414 1.00 0.46 N ATOM 1837 CA TRP B 409 3.950 -11.914 5.346 1.00 0.43 C ATOM 1838 C TRP B 409 2.948 -12.887 4.708 1.00 0.40 C ATOM 1839 O TRP B 409 2.588 -13.891 5.287 1.00 0.41 O ATOM 1840 CB TRP B 409 3.330 -10.523 5.548 1.00 0.43 C ATOM 1841 CG TRP B 409 1.977 -10.638 6.183 1.00 0.42 C ATOM 1842 CD1 TRP B 409 1.745 -10.971 7.474 1.00 0.50 C ATOM 1843 CD2 TRP B 409 0.675 -10.427 5.572 1.00 0.40 C ATOM 1844 NE1 TRP B 409 0.378 -10.979 7.698 1.00 0.53 N ATOM 1845 CE2 TRP B 409 -0.328 -10.651 6.558 1.00 0.47 C ATOM 1846 CE3 TRP B 409 0.262 -10.064 4.263 1.00 0.39 C ATOM 1847 CZ2 TRP B 409 -1.697 -10.518 6.258 1.00 0.50 C ATOM 1848 CZ3 TRP B 409 -1.112 -9.930 3.956 1.00 0.43 C ATOM 1849 CH2 TRP B 409 -2.090 -10.157 4.952 1.00 0.48 C ATOM 0 H TRP B 409 5.155 -10.734 4.040 1.00 0.46 H new ATOM 0 HA TRP B 409 4.254 -12.360 6.293 1.00 0.43 H new ATOM 0 HB2 TRP B 409 3.982 -9.915 6.175 1.00 0.43 H new ATOM 0 HB3 TRP B 409 3.246 -10.013 4.588 1.00 0.43 H new ATOM 0 HD1 TRP B 409 2.503 -11.194 8.210 1.00 0.50 H new ATOM 0 HE1 TRP B 409 -0.054 -11.200 8.595 1.00 0.53 H new ATOM 0 HE3 TRP B 409 1.002 -9.889 3.496 1.00 0.39 H new ATOM 0 HZ2 TRP B 409 -2.441 -10.691 7.022 1.00 0.50 H new ATOM 0 HZ3 TRP B 409 -1.416 -9.653 2.957 1.00 0.43 H new ATOM 0 HH2 TRP B 409 -3.138 -10.054 4.713 1.00 0.48 H new ATOM 1860 N ALA B 410 2.495 -12.590 3.521 1.00 0.42 N ATOM 1861 CA ALA B 410 1.516 -13.493 2.850 1.00 0.44 C ATOM 1862 C ALA B 410 2.101 -14.900 2.713 1.00 0.45 C ATOM 1863 O ALA B 410 1.390 -15.885 2.763 1.00 0.47 O ATOM 1864 CB ALA B 410 1.281 -12.867 1.475 1.00 0.51 C ATOM 0 H ALA B 410 2.760 -11.762 2.987 1.00 0.42 H new ATOM 0 HA ALA B 410 0.589 -13.593 3.414 1.00 0.44 H new ATOM 0 HB1 ALA B 410 0.569 -13.474 0.916 1.00 0.51 H new ATOM 0 HB2 ALA B 410 0.882 -11.860 1.597 1.00 0.51 H new ATOM 0 HB3 ALA B 410 2.224 -12.820 0.931 1.00 0.51 H new ATOM 1870 N ASP B 411 3.389 -15.005 2.543 1.00 0.48 N ATOM 1871 CA ASP B 411 4.014 -16.351 2.409 1.00 0.53 C ATOM 1872 C ASP B 411 4.115 -17.017 3.783 1.00 0.53 C ATOM 1873 O ASP B 411 3.817 -18.185 3.941 1.00 0.58 O ATOM 1874 CB ASP B 411 5.404 -16.091 1.831 1.00 0.60 C ATOM 1875 CG ASP B 411 5.343 -16.162 0.304 1.00 1.03 C ATOM 1876 OD1 ASP B 411 4.506 -16.891 -0.202 1.00 1.51 O ATOM 1877 OD2 ASP B 411 6.133 -15.484 -0.333 1.00 1.78 O ATOM 0 H ASP B 411 4.036 -14.218 2.491 1.00 0.48 H new ATOM 0 HA ASP B 411 3.433 -17.018 1.772 1.00 0.53 H new ATOM 0 HB2 ASP B 411 5.763 -15.111 2.146 1.00 0.60 H new ATOM 0 HB3 ASP B 411 6.112 -16.827 2.212 1.00 0.60 H new ATOM 1882 N ARG B 412 4.526 -16.282 4.781 1.00 0.52 N ATOM 1883 CA ARG B 412 4.636 -16.875 6.143 1.00 0.56 C ATOM 1884 C ARG B 412 3.281 -17.441 6.569 1.00 0.55 C ATOM 1885 O ARG B 412 3.199 -18.417 7.287 1.00 0.63 O ATOM 1886 CB ARG B 412 5.046 -15.715 7.051 1.00 0.58 C ATOM 1887 CG ARG B 412 6.571 -15.680 7.177 1.00 0.96 C ATOM 1888 CD ARG B 412 6.956 -15.301 8.609 1.00 1.50 C ATOM 1889 NE ARG B 412 7.900 -16.366 9.048 1.00 1.90 N ATOM 1890 CZ ARG B 412 8.855 -16.083 9.890 1.00 2.41 C ATOM 1891 NH1 ARG B 412 8.573 -15.862 11.145 1.00 3.02 N ATOM 1892 NH2 ARG B 412 10.091 -16.021 9.480 1.00 2.89 N ATOM 0 H ARG B 412 4.790 -15.299 4.712 1.00 0.52 H new ATOM 0 HA ARG B 412 5.355 -17.693 6.187 1.00 0.56 H new ATOM 0 HB2 ARG B 412 4.683 -14.773 6.641 1.00 0.58 H new ATOM 0 HB3 ARG B 412 4.592 -15.831 8.035 1.00 0.58 H new ATOM 0 HG2 ARG B 412 6.990 -16.653 6.922 1.00 0.96 H new ATOM 0 HG3 ARG B 412 6.988 -14.959 6.474 1.00 0.96 H new ATOM 0 HD2 ARG B 412 7.426 -14.318 8.645 1.00 1.50 H new ATOM 0 HD3 ARG B 412 6.080 -15.259 9.256 1.00 1.50 H new ATOM 0 HE ARG B 412 7.800 -17.316 8.690 1.00 1.90 H new ATOM 0 HH11 ARG B 412 7.606 -15.911 11.467 1.00 3.02 H new ATOM 0 HH12 ARG B 412 9.319 -15.641 11.804 1.00 3.02 H new ATOM 0 HH21 ARG B 412 10.312 -16.194 8.499 1.00 2.89 H new ATOM 0 HH22 ARG B 412 10.837 -15.800 10.140 1.00 2.89 H new ATOM 1906 N ALA B 413 2.216 -16.834 6.121 1.00 0.50 N ATOM 1907 CA ALA B 413 0.862 -17.332 6.487 1.00 0.53 C ATOM 1908 C ALA B 413 0.498 -18.536 5.614 1.00 0.57 C ATOM 1909 O ALA B 413 -0.093 -19.494 6.072 1.00 0.66 O ATOM 1910 CB ALA B 413 -0.079 -16.159 6.206 1.00 0.53 C ATOM 0 H ALA B 413 2.227 -16.013 5.516 1.00 0.50 H new ATOM 0 HA ALA B 413 0.803 -17.659 7.525 1.00 0.53 H new ATOM 0 HB1 ALA B 413 -1.102 -16.446 6.451 1.00 0.53 H new ATOM 0 HB2 ALA B 413 0.214 -15.304 6.815 1.00 0.53 H new ATOM 0 HB3 ALA B 413 -0.020 -15.890 5.151 1.00 0.53 H new ATOM 1916 N LEU B 414 0.853 -18.492 4.360 1.00 0.54 N ATOM 1917 CA LEU B 414 0.535 -19.629 3.451 1.00 0.62 C ATOM 1918 C LEU B 414 1.322 -20.878 3.861 1.00 0.71 C ATOM 1919 O LEU B 414 0.984 -21.985 3.490 1.00 0.82 O ATOM 1920 CB LEU B 414 0.972 -19.150 2.067 1.00 0.63 C ATOM 1921 CG LEU B 414 -0.265 -18.827 1.233 1.00 0.71 C ATOM 1922 CD1 LEU B 414 0.049 -17.679 0.274 1.00 1.11 C ATOM 1923 CD2 LEU B 414 -0.669 -20.065 0.434 1.00 1.03 C ATOM 0 H LEU B 414 1.351 -17.716 3.924 1.00 0.54 H new ATOM 0 HA LEU B 414 -0.520 -19.901 3.480 1.00 0.62 H new ATOM 0 HB2 LEU B 414 1.605 -18.267 2.158 1.00 0.63 H new ATOM 0 HB3 LEU B 414 1.567 -19.919 1.574 1.00 0.63 H new ATOM 0 HG LEU B 414 -1.083 -18.532 1.890 1.00 0.71 H new ATOM 0 HD11 LEU B 414 -0.835 -17.450 -0.321 1.00 1.11 H new ATOM 0 HD12 LEU B 414 0.341 -16.798 0.845 1.00 1.11 H new ATOM 0 HD13 LEU B 414 0.865 -17.970 -0.387 1.00 1.11 H new ATOM 0 HD21 LEU B 414 -1.552 -19.840 -0.164 1.00 1.03 H new ATOM 0 HD22 LEU B 414 0.150 -20.357 -0.224 1.00 1.03 H new ATOM 0 HD23 LEU B 414 -0.893 -20.883 1.119 1.00 1.03 H new ATOM 1935 N ARG B 415 2.369 -20.711 4.624 1.00 0.73 N ATOM 1936 CA ARG B 415 3.174 -21.891 5.054 1.00 0.87 C ATOM 1937 C ARG B 415 2.423 -22.684 6.124 1.00 0.93 C ATOM 1938 O ARG B 415 2.571 -23.885 6.239 1.00 1.26 O ATOM 1939 CB ARG B 415 4.463 -21.303 5.630 1.00 1.02 C ATOM 1940 CG ARG B 415 5.480 -21.099 4.507 1.00 1.40 C ATOM 1941 CD ARG B 415 6.777 -21.832 4.852 1.00 1.61 C ATOM 1942 NE ARG B 415 7.829 -21.151 4.047 1.00 2.27 N ATOM 1943 CZ ARG B 415 8.799 -20.517 4.646 1.00 2.92 C ATOM 1944 NH1 ARG B 415 9.468 -21.099 5.603 1.00 3.70 N ATOM 1945 NH2 ARG B 415 9.098 -19.298 4.288 1.00 3.32 N ATOM 0 H ARG B 415 2.701 -19.810 4.968 1.00 0.73 H new ATOM 0 HA ARG B 415 3.370 -22.577 4.230 1.00 0.87 H new ATOM 0 HB2 ARG B 415 4.253 -20.353 6.122 1.00 1.02 H new ATOM 0 HB3 ARG B 415 4.872 -21.971 6.388 1.00 1.02 H new ATOM 0 HG2 ARG B 415 5.078 -21.474 3.566 1.00 1.40 H new ATOM 0 HG3 ARG B 415 5.677 -20.036 4.369 1.00 1.40 H new ATOM 0 HD2 ARG B 415 6.994 -21.770 5.918 1.00 1.61 H new ATOM 0 HD3 ARG B 415 6.711 -22.891 4.601 1.00 1.61 H new ATOM 0 HE ARG B 415 7.791 -21.180 3.028 1.00 2.27 H new ATOM 0 HH11 ARG B 415 9.233 -22.051 5.884 1.00 3.70 H new ATOM 0 HH12 ARG B 415 10.226 -20.602 6.070 1.00 3.70 H new ATOM 0 HH21 ARG B 415 8.574 -18.843 3.541 1.00 3.32 H new ATOM 0 HH22 ARG B 415 9.856 -18.801 4.755 1.00 3.32 H new ATOM 1959 N SER B 416 1.619 -22.023 6.909 1.00 0.90 N ATOM 1960 CA SER B 416 0.859 -22.740 7.974 1.00 0.99 C ATOM 1961 C SER B 416 -0.647 -22.605 7.733 1.00 0.99 C ATOM 1962 O SER B 416 -1.303 -23.533 7.304 1.00 1.63 O ATOM 1963 CB SER B 416 1.260 -22.051 9.277 1.00 1.20 C ATOM 1964 OG SER B 416 0.472 -22.567 10.342 1.00 1.70 O ATOM 0 H SER B 416 1.454 -21.018 6.860 1.00 0.90 H new ATOM 0 HA SER B 416 1.080 -23.807 7.993 1.00 0.99 H new ATOM 0 HB2 SER B 416 2.318 -22.217 9.479 1.00 1.20 H new ATOM 0 HB3 SER B 416 1.116 -20.974 9.192 1.00 1.20 H new ATOM 0 HG SER B 416 0.728 -22.128 11.180 1.00 1.70 H new ATOM 1970 N GLY B 417 -1.199 -21.455 8.006 1.00 1.06 N ATOM 1971 CA GLY B 417 -2.659 -21.261 7.792 1.00 1.06 C ATOM 1972 C GLY B 417 -2.931 -19.805 7.411 1.00 0.99 C ATOM 1973 O GLY B 417 -3.408 -19.022 8.209 1.00 1.31 O ATOM 0 H GLY B 417 -0.701 -20.642 8.368 1.00 1.06 H new ATOM 0 HA2 GLY B 417 -3.013 -21.926 7.004 1.00 1.06 H new ATOM 0 HA3 GLY B 417 -3.207 -21.519 8.698 1.00 1.06 H new ATOM 1977 N HIS B 418 -2.626 -19.435 6.197 1.00 0.78 N ATOM 1978 CA HIS B 418 -2.862 -18.030 5.764 1.00 0.88 C ATOM 1979 C HIS B 418 -4.324 -17.638 6.000 1.00 0.89 C ATOM 1980 O HIS B 418 -5.216 -18.076 5.303 1.00 1.17 O ATOM 1981 CB HIS B 418 -2.522 -18.011 4.271 1.00 1.01 C ATOM 1982 CG HIS B 418 -3.369 -19.015 3.533 1.00 1.69 C ATOM 1983 ND1 HIS B 418 -3.004 -20.348 3.413 1.00 2.18 N ATOM 1984 CD2 HIS B 418 -4.560 -18.892 2.860 1.00 2.31 C ATOM 1985 CE1 HIS B 418 -3.958 -20.966 2.693 1.00 2.86 C ATOM 1986 NE2 HIS B 418 -4.930 -20.125 2.331 1.00 2.97 N ATOM 0 H HIS B 418 -2.223 -20.046 5.486 1.00 0.78 H new ATOM 0 HA HIS B 418 -2.256 -17.317 6.324 1.00 0.88 H new ATOM 0 HB2 HIS B 418 -2.690 -17.014 3.865 1.00 1.01 H new ATOM 0 HB3 HIS B 418 -1.466 -18.240 4.128 1.00 1.01 H new ATOM 0 HD2 HIS B 418 -5.124 -17.977 2.757 1.00 2.31 H new ATOM 0 HE1 HIS B 418 -3.940 -22.015 2.439 1.00 2.86 H new ATOM 0 HE2 HIS B 418 -5.764 -20.340 1.785 1.00 2.97 H new ATOM 1994 N GLN B 419 -4.575 -16.816 6.981 1.00 1.08 N ATOM 1995 CA GLN B 419 -5.974 -16.396 7.264 1.00 1.24 C ATOM 1996 C GLN B 419 -6.383 -15.261 6.317 1.00 1.03 C ATOM 1997 O GLN B 419 -5.900 -15.166 5.206 1.00 1.28 O ATOM 1998 CB GLN B 419 -5.947 -15.913 8.715 1.00 1.71 C ATOM 1999 CG GLN B 419 -5.020 -14.702 8.838 1.00 2.32 C ATOM 2000 CD GLN B 419 -4.085 -14.894 10.032 1.00 2.91 C ATOM 2001 OE1 GLN B 419 -4.475 -15.448 11.041 1.00 3.29 O ATOM 2002 NE2 GLN B 419 -2.857 -14.457 9.963 1.00 3.52 N ATOM 0 H GLN B 419 -3.869 -16.417 7.600 1.00 1.08 H new ATOM 0 HA GLN B 419 -6.694 -17.201 7.117 1.00 1.24 H new ATOM 0 HB2 GLN B 419 -6.953 -15.647 9.039 1.00 1.71 H new ATOM 0 HB3 GLN B 419 -5.603 -16.714 9.369 1.00 1.71 H new ATOM 0 HG2 GLN B 419 -4.439 -14.581 7.924 1.00 2.32 H new ATOM 0 HG3 GLN B 419 -5.607 -13.793 8.965 1.00 2.32 H new ATOM 0 HE21 GLN B 419 -2.528 -13.992 9.117 1.00 3.52 H new ATOM 0 HE22 GLN B 419 -2.226 -14.581 10.755 1.00 3.52 H new ATOM 2011 N ASN B 420 -7.268 -14.402 6.744 1.00 0.78 N ATOM 2012 CA ASN B 420 -7.703 -13.279 5.864 1.00 0.70 C ATOM 2013 C ASN B 420 -6.485 -12.494 5.370 1.00 0.58 C ATOM 2014 O ASN B 420 -5.981 -11.620 6.047 1.00 0.70 O ATOM 2015 CB ASN B 420 -8.584 -12.399 6.751 1.00 0.86 C ATOM 2016 CG ASN B 420 -9.987 -13.003 6.839 1.00 1.35 C ATOM 2017 OD1 ASN B 420 -10.611 -13.268 5.830 1.00 1.96 O ATOM 2018 ND2 ASN B 420 -10.513 -13.231 8.011 1.00 1.87 N ATOM 0 H ASN B 420 -7.709 -14.429 7.664 1.00 0.78 H new ATOM 0 HA ASN B 420 -8.236 -13.629 4.980 1.00 0.70 H new ATOM 0 HB2 ASN B 420 -8.149 -12.318 7.747 1.00 0.86 H new ATOM 0 HB3 ASN B 420 -8.636 -11.390 6.342 1.00 0.86 H new ATOM 0 HD21 ASN B 420 -11.448 -13.632 8.081 1.00 1.87 H new ATOM 0 HD22 ASN B 420 -9.989 -13.008 8.857 1.00 1.87 H new ATOM 2025 N LEU B 421 -6.008 -12.796 4.193 1.00 0.45 N ATOM 2026 CA LEU B 421 -4.823 -12.066 3.659 1.00 0.40 C ATOM 2027 C LEU B 421 -5.239 -10.683 3.147 1.00 0.39 C ATOM 2028 O LEU B 421 -5.100 -9.690 3.830 1.00 0.53 O ATOM 2029 CB LEU B 421 -4.308 -12.934 2.511 1.00 0.42 C ATOM 2030 CG LEU B 421 -3.369 -14.009 3.063 1.00 0.39 C ATOM 2031 CD1 LEU B 421 -3.676 -15.350 2.392 1.00 0.50 C ATOM 2032 CD2 LEU B 421 -1.919 -13.616 2.770 1.00 0.41 C ATOM 0 H LEU B 421 -6.387 -13.516 3.578 1.00 0.45 H new ATOM 0 HA LEU B 421 -4.060 -11.904 4.420 1.00 0.40 H new ATOM 0 HB2 LEU B 421 -5.145 -13.400 1.990 1.00 0.42 H new ATOM 0 HB3 LEU B 421 -3.783 -12.317 1.782 1.00 0.42 H new ATOM 0 HG LEU B 421 -3.514 -14.099 4.140 1.00 0.39 H new ATOM 0 HD11 LEU B 421 -3.007 -16.115 2.785 1.00 0.50 H new ATOM 0 HD12 LEU B 421 -4.709 -15.631 2.597 1.00 0.50 H new ATOM 0 HD13 LEU B 421 -3.531 -15.260 1.315 1.00 0.50 H new ATOM 0 HD21 LEU B 421 -1.248 -14.380 3.162 1.00 0.41 H new ATOM 0 HD22 LEU B 421 -1.777 -13.527 1.693 1.00 0.41 H new ATOM 0 HD23 LEU B 421 -1.698 -12.661 3.246 1.00 0.41 H new ATOM 2044 N LEU B 422 -5.749 -10.611 1.947 1.00 0.33 N ATOM 2045 CA LEU B 422 -6.172 -9.292 1.395 1.00 0.34 C ATOM 2046 C LEU B 422 -7.159 -8.611 2.346 1.00 0.34 C ATOM 2047 O LEU B 422 -7.238 -7.402 2.417 1.00 0.37 O ATOM 2048 CB LEU B 422 -6.850 -9.621 0.066 1.00 0.37 C ATOM 2049 CG LEU B 422 -5.799 -9.683 -1.044 1.00 0.38 C ATOM 2050 CD1 LEU B 422 -6.360 -10.458 -2.236 1.00 0.59 C ATOM 2051 CD2 LEU B 422 -5.439 -8.262 -1.485 1.00 0.63 C ATOM 0 H LEU B 422 -5.891 -11.408 1.326 1.00 0.33 H new ATOM 0 HA LEU B 422 -5.332 -8.609 1.268 1.00 0.34 H new ATOM 0 HB2 LEU B 422 -7.373 -10.574 0.139 1.00 0.37 H new ATOM 0 HB3 LEU B 422 -7.598 -8.864 -0.169 1.00 0.37 H new ATOM 0 HG LEU B 422 -4.907 -10.186 -0.671 1.00 0.38 H new ATOM 0 HD11 LEU B 422 -5.611 -10.502 -3.027 1.00 0.59 H new ATOM 0 HD12 LEU B 422 -6.617 -11.470 -1.923 1.00 0.59 H new ATOM 0 HD13 LEU B 422 -7.252 -9.956 -2.609 1.00 0.59 H new ATOM 0 HD21 LEU B 422 -4.690 -8.305 -2.276 1.00 0.63 H new ATOM 0 HD22 LEU B 422 -6.332 -7.760 -1.858 1.00 0.63 H new ATOM 0 HD23 LEU B 422 -5.038 -7.708 -0.636 1.00 0.63 H new ATOM 2063 N SER B 423 -7.914 -9.384 3.077 1.00 0.35 N ATOM 2064 CA SER B 423 -8.901 -8.788 4.024 1.00 0.38 C ATOM 2065 C SER B 423 -8.183 -8.095 5.189 1.00 0.36 C ATOM 2066 O SER B 423 -8.771 -7.321 5.917 1.00 0.39 O ATOM 2067 CB SER B 423 -9.722 -9.973 4.531 1.00 0.44 C ATOM 2068 OG SER B 423 -10.964 -10.014 3.841 1.00 1.23 O ATOM 0 H SER B 423 -7.891 -10.404 3.060 1.00 0.35 H new ATOM 0 HA SER B 423 -9.522 -8.030 3.546 1.00 0.38 H new ATOM 0 HB2 SER B 423 -9.175 -10.903 4.374 1.00 0.44 H new ATOM 0 HB3 SER B 423 -9.892 -9.880 5.604 1.00 0.44 H new ATOM 0 HG SER B 423 -11.492 -10.774 4.163 1.00 1.23 H new ATOM 2074 N GLU B 424 -6.920 -8.368 5.374 1.00 0.34 N ATOM 2075 CA GLU B 424 -6.178 -7.723 6.497 1.00 0.36 C ATOM 2076 C GLU B 424 -5.583 -6.384 6.047 1.00 0.32 C ATOM 2077 O GLU B 424 -5.785 -5.363 6.674 1.00 0.33 O ATOM 2078 CB GLU B 424 -5.068 -8.712 6.857 1.00 0.38 C ATOM 2079 CG GLU B 424 -5.348 -9.314 8.236 1.00 0.57 C ATOM 2080 CD GLU B 424 -4.339 -10.428 8.521 1.00 0.81 C ATOM 2081 OE1 GLU B 424 -4.603 -11.553 8.129 1.00 1.54 O ATOM 2082 OE2 GLU B 424 -3.322 -10.138 9.129 1.00 1.22 O ATOM 0 H GLU B 424 -6.371 -9.007 4.799 1.00 0.34 H new ATOM 0 HA GLU B 424 -6.825 -7.508 7.347 1.00 0.36 H new ATOM 0 HB2 GLU B 424 -5.013 -9.502 6.108 1.00 0.38 H new ATOM 0 HB3 GLU B 424 -4.102 -8.206 6.858 1.00 0.38 H new ATOM 0 HG2 GLU B 424 -5.279 -8.542 9.002 1.00 0.57 H new ATOM 0 HG3 GLU B 424 -6.363 -9.710 8.272 1.00 0.57 H new ATOM 2089 N ALA B 425 -4.851 -6.380 4.966 1.00 0.31 N ATOM 2090 CA ALA B 425 -4.245 -5.106 4.481 1.00 0.29 C ATOM 2091 C ALA B 425 -5.301 -4.235 3.792 1.00 0.28 C ATOM 2092 O ALA B 425 -5.116 -3.049 3.604 1.00 0.28 O ATOM 2093 CB ALA B 425 -3.172 -5.535 3.480 1.00 0.29 C ATOM 0 H ALA B 425 -4.646 -7.202 4.398 1.00 0.31 H new ATOM 0 HA ALA B 425 -3.833 -4.513 5.297 1.00 0.29 H new ATOM 0 HB1 ALA B 425 -2.677 -4.652 3.076 1.00 0.29 H new ATOM 0 HB2 ALA B 425 -2.437 -6.165 3.982 1.00 0.29 H new ATOM 0 HB3 ALA B 425 -3.635 -6.095 2.668 1.00 0.29 H new ATOM 2099 N GLN B 426 -6.406 -4.815 3.409 1.00 0.30 N ATOM 2100 CA GLN B 426 -7.472 -4.022 2.730 1.00 0.31 C ATOM 2101 C GLN B 426 -7.822 -2.765 3.540 1.00 0.30 C ATOM 2102 O GLN B 426 -7.720 -1.662 3.038 1.00 0.30 O ATOM 2103 CB GLN B 426 -8.676 -4.964 2.655 1.00 0.36 C ATOM 2104 CG GLN B 426 -8.849 -5.458 1.218 1.00 0.45 C ATOM 2105 CD GLN B 426 -9.870 -6.598 1.189 1.00 0.53 C ATOM 2106 OE1 GLN B 426 -9.517 -7.741 0.977 1.00 1.23 O ATOM 2107 NE2 GLN B 426 -11.131 -6.333 1.395 1.00 1.09 N ATOM 0 H GLN B 426 -6.617 -5.805 3.537 1.00 0.30 H new ATOM 0 HA GLN B 426 -7.156 -3.676 1.746 1.00 0.31 H new ATOM 0 HB2 GLN B 426 -8.531 -5.810 3.327 1.00 0.36 H new ATOM 0 HB3 GLN B 426 -9.577 -4.446 2.984 1.00 0.36 H new ATOM 0 HG2 GLN B 426 -9.183 -4.640 0.579 1.00 0.45 H new ATOM 0 HG3 GLN B 426 -7.893 -5.802 0.823 1.00 0.45 H new ATOM 0 HE21 GLN B 426 -11.428 -5.374 1.573 1.00 1.09 H new ATOM 0 HE22 GLN B 426 -11.820 -7.085 1.378 1.00 1.09 H new ATOM 2116 N PRO B 427 -8.233 -2.965 4.771 1.00 0.32 N ATOM 2117 CA PRO B 427 -8.609 -1.817 5.636 1.00 0.34 C ATOM 2118 C PRO B 427 -7.373 -0.995 6.011 1.00 0.31 C ATOM 2119 O PRO B 427 -7.475 0.158 6.379 1.00 0.35 O ATOM 2120 CB PRO B 427 -9.223 -2.479 6.868 1.00 0.39 C ATOM 2121 CG PRO B 427 -8.631 -3.850 6.901 1.00 0.38 C ATOM 2122 CD PRO B 427 -8.385 -4.250 5.470 1.00 0.35 C ATOM 0 HA PRO B 427 -9.293 -1.122 5.149 1.00 0.34 H new ATOM 0 HB2 PRO B 427 -8.985 -1.924 7.775 1.00 0.39 H new ATOM 0 HB3 PRO B 427 -10.310 -2.519 6.795 1.00 0.39 H new ATOM 0 HG2 PRO B 427 -7.701 -3.856 7.470 1.00 0.38 H new ATOM 0 HG3 PRO B 427 -9.308 -4.552 7.388 1.00 0.38 H new ATOM 0 HD2 PRO B 427 -7.491 -4.866 5.374 1.00 0.35 H new ATOM 0 HD3 PRO B 427 -9.216 -4.829 5.067 1.00 0.35 H new ATOM 2130 N GLU B 428 -6.209 -1.574 5.919 1.00 0.29 N ATOM 2131 CA GLU B 428 -4.977 -0.814 6.272 1.00 0.29 C ATOM 2132 C GLU B 428 -4.762 0.330 5.276 1.00 0.27 C ATOM 2133 O GLU B 428 -4.591 1.471 5.657 1.00 0.32 O ATOM 2134 CB GLU B 428 -3.840 -1.832 6.177 1.00 0.29 C ATOM 2135 CG GLU B 428 -2.848 -1.592 7.317 1.00 0.71 C ATOM 2136 CD GLU B 428 -1.602 -2.453 7.099 1.00 1.36 C ATOM 2137 OE1 GLU B 428 -1.733 -3.514 6.513 1.00 2.11 O ATOM 2138 OE2 GLU B 428 -0.536 -2.035 7.523 1.00 2.07 O ATOM 0 H GLU B 428 -6.057 -2.536 5.616 1.00 0.29 H new ATOM 0 HA GLU B 428 -5.037 -0.366 7.264 1.00 0.29 H new ATOM 0 HB2 GLU B 428 -4.238 -2.845 6.234 1.00 0.29 H new ATOM 0 HB3 GLU B 428 -3.335 -1.741 5.215 1.00 0.29 H new ATOM 0 HG2 GLU B 428 -2.572 -0.538 7.358 1.00 0.71 H new ATOM 0 HG3 GLU B 428 -3.310 -1.838 8.273 1.00 0.71 H new ATOM 2145 N LEU B 429 -4.776 0.036 4.004 1.00 0.25 N ATOM 2146 CA LEU B 429 -4.578 1.111 2.989 1.00 0.26 C ATOM 2147 C LEU B 429 -5.771 2.072 3.004 1.00 0.25 C ATOM 2148 O LEU B 429 -5.609 3.276 2.971 1.00 0.28 O ATOM 2149 CB LEU B 429 -4.491 0.379 1.647 1.00 0.26 C ATOM 2150 CG LEU B 429 -4.428 1.399 0.504 1.00 0.29 C ATOM 2151 CD1 LEU B 429 -3.034 1.378 -0.127 1.00 0.45 C ATOM 2152 CD2 LEU B 429 -5.469 1.037 -0.557 1.00 0.56 C ATOM 0 H LEU B 429 -4.916 -0.900 3.624 1.00 0.25 H new ATOM 0 HA LEU B 429 -3.686 1.707 3.183 1.00 0.26 H new ATOM 0 HB2 LEU B 429 -3.608 -0.259 1.627 1.00 0.26 H new ATOM 0 HB3 LEU B 429 -5.357 -0.271 1.520 1.00 0.26 H new ATOM 0 HG LEU B 429 -4.634 2.395 0.896 1.00 0.29 H new ATOM 0 HD11 LEU B 429 -2.991 2.104 -0.939 1.00 0.45 H new ATOM 0 HD12 LEU B 429 -2.289 1.633 0.627 1.00 0.45 H new ATOM 0 HD13 LEU B 429 -2.827 0.382 -0.519 1.00 0.45 H new ATOM 0 HD21 LEU B 429 -5.426 1.761 -1.371 1.00 0.56 H new ATOM 0 HD22 LEU B 429 -5.260 0.041 -0.946 1.00 0.56 H new ATOM 0 HD23 LEU B 429 -6.463 1.051 -0.111 1.00 0.56 H new ATOM 2164 N GLU B 430 -6.966 1.551 3.051 1.00 0.26 N ATOM 2165 CA GLU B 430 -8.164 2.439 3.064 1.00 0.28 C ATOM 2166 C GLU B 430 -8.133 3.357 4.290 1.00 0.30 C ATOM 2167 O GLU B 430 -8.590 4.481 4.244 1.00 0.33 O ATOM 2168 CB GLU B 430 -9.361 1.491 3.138 1.00 0.30 C ATOM 2169 CG GLU B 430 -10.597 2.185 2.562 1.00 0.61 C ATOM 2170 CD GLU B 430 -11.495 2.665 3.705 1.00 1.45 C ATOM 2171 OE1 GLU B 430 -10.998 2.784 4.813 1.00 2.17 O ATOM 2172 OE2 GLU B 430 -12.664 2.906 3.452 1.00 2.05 O ATOM 0 H GLU B 430 -7.165 0.551 3.081 1.00 0.26 H new ATOM 0 HA GLU B 430 -8.206 3.083 2.186 1.00 0.28 H new ATOM 0 HB2 GLU B 430 -9.151 0.578 2.581 1.00 0.30 H new ATOM 0 HB3 GLU B 430 -9.544 1.199 4.172 1.00 0.30 H new ATOM 0 HG2 GLU B 430 -10.297 3.030 1.943 1.00 0.61 H new ATOM 0 HG3 GLU B 430 -11.146 1.497 1.919 1.00 0.61 H new ATOM 2179 N ARG B 431 -7.605 2.886 5.386 1.00 0.33 N ATOM 2180 CA ARG B 431 -7.555 3.733 6.612 1.00 0.37 C ATOM 2181 C ARG B 431 -6.578 4.897 6.424 1.00 0.36 C ATOM 2182 O ARG B 431 -6.929 6.047 6.594 1.00 0.38 O ATOM 2183 CB ARG B 431 -7.064 2.801 7.720 1.00 0.41 C ATOM 2184 CG ARG B 431 -7.236 3.487 9.076 1.00 0.59 C ATOM 2185 CD ARG B 431 -7.368 2.428 10.173 1.00 1.32 C ATOM 2186 NE ARG B 431 -6.921 3.107 11.420 1.00 1.56 N ATOM 2187 CZ ARG B 431 -6.007 2.558 12.171 1.00 2.19 C ATOM 2188 NH1 ARG B 431 -4.743 2.716 11.884 1.00 2.78 N ATOM 2189 NH2 ARG B 431 -6.356 1.848 13.209 1.00 2.87 N ATOM 0 H ARG B 431 -7.206 1.952 5.486 1.00 0.33 H new ATOM 0 HA ARG B 431 -8.526 4.171 6.843 1.00 0.37 H new ATOM 0 HB2 ARG B 431 -7.625 1.867 7.699 1.00 0.41 H new ATOM 0 HB3 ARG B 431 -6.016 2.547 7.559 1.00 0.41 H new ATOM 0 HG2 ARG B 431 -6.381 4.132 9.280 1.00 0.59 H new ATOM 0 HG3 ARG B 431 -8.120 4.124 9.063 1.00 0.59 H new ATOM 0 HD2 ARG B 431 -8.396 2.077 10.261 1.00 1.32 H new ATOM 0 HD3 ARG B 431 -6.751 1.556 9.956 1.00 1.32 H new ATOM 0 HE ARG B 431 -7.330 4.002 11.687 1.00 1.56 H new ATOM 0 HH11 ARG B 431 -4.470 3.269 11.072 1.00 2.78 H new ATOM 0 HH12 ARG B 431 -4.029 2.286 12.472 1.00 2.78 H new ATOM 0 HH21 ARG B 431 -7.343 1.723 13.433 1.00 2.87 H new ATOM 0 HH22 ARG B 431 -5.641 1.418 13.797 1.00 2.87 H new ATOM 2203 N THR B 432 -5.351 4.609 6.081 1.00 0.41 N ATOM 2204 CA THR B 432 -4.355 5.703 5.891 1.00 0.45 C ATOM 2205 C THR B 432 -4.909 6.773 4.946 1.00 0.40 C ATOM 2206 O THR B 432 -4.915 7.947 5.259 1.00 0.56 O ATOM 2207 CB THR B 432 -3.130 5.025 5.274 1.00 0.53 C ATOM 2208 OG1 THR B 432 -2.727 3.938 6.095 1.00 0.61 O ATOM 2209 CG2 THR B 432 -1.986 6.037 5.166 1.00 0.62 C ATOM 0 H THR B 432 -4.996 3.666 5.924 1.00 0.41 H new ATOM 0 HA THR B 432 -4.115 6.205 6.828 1.00 0.45 H new ATOM 0 HB THR B 432 -3.381 4.655 4.280 1.00 0.53 H new ATOM 0 HG1 THR B 432 -1.943 3.502 5.699 1.00 0.61 H new ATOM 0 HG21 THR B 432 -1.113 5.554 4.726 1.00 0.62 H new ATOM 0 HG22 THR B 432 -2.296 6.870 4.535 1.00 0.62 H new ATOM 0 HG23 THR B 432 -1.734 6.408 6.159 1.00 0.62 H new ATOM 2217 N LEU B 433 -5.373 6.379 3.792 1.00 0.33 N ATOM 2218 CA LEU B 433 -5.922 7.378 2.831 1.00 0.30 C ATOM 2219 C LEU B 433 -7.183 8.032 3.404 1.00 0.27 C ATOM 2220 O LEU B 433 -7.315 9.241 3.416 1.00 0.25 O ATOM 2221 CB LEU B 433 -6.259 6.577 1.574 1.00 0.37 C ATOM 2222 CG LEU B 433 -5.689 7.292 0.346 1.00 0.42 C ATOM 2223 CD1 LEU B 433 -6.265 8.707 0.261 1.00 0.41 C ATOM 2224 CD2 LEU B 433 -4.166 7.368 0.465 1.00 0.44 C ATOM 0 H LEU B 433 -5.396 5.410 3.473 1.00 0.33 H new ATOM 0 HA LEU B 433 -5.215 8.181 2.626 1.00 0.30 H new ATOM 0 HB2 LEU B 433 -5.844 5.572 1.648 1.00 0.37 H new ATOM 0 HB3 LEU B 433 -7.339 6.470 1.477 1.00 0.37 H new ATOM 0 HG LEU B 433 -5.958 6.738 -0.553 1.00 0.42 H new ATOM 0 HD11 LEU B 433 -5.858 9.214 -0.614 1.00 0.41 H new ATOM 0 HD12 LEU B 433 -7.350 8.654 0.177 1.00 0.41 H new ATOM 0 HD13 LEU B 433 -5.998 9.263 1.160 1.00 0.41 H new ATOM 0 HD21 LEU B 433 -3.758 7.877 -0.408 1.00 0.44 H new ATOM 0 HD22 LEU B 433 -3.899 7.921 1.365 1.00 0.44 H new ATOM 0 HD23 LEU B 433 -3.755 6.360 0.523 1.00 0.44 H new ATOM 2236 N LEU B 434 -8.112 7.245 3.873 1.00 0.32 N ATOM 2237 CA LEU B 434 -9.365 7.826 4.440 1.00 0.32 C ATOM 2238 C LEU B 434 -9.031 8.891 5.489 1.00 0.29 C ATOM 2239 O LEU B 434 -9.538 9.994 5.450 1.00 0.30 O ATOM 2240 CB LEU B 434 -10.091 6.646 5.088 1.00 0.41 C ATOM 2241 CG LEU B 434 -11.432 7.119 5.649 1.00 0.65 C ATOM 2242 CD1 LEU B 434 -12.523 6.930 4.592 1.00 0.84 C ATOM 2243 CD2 LEU B 434 -11.781 6.300 6.893 1.00 1.14 C ATOM 0 H LEU B 434 -8.059 6.226 3.889 1.00 0.32 H new ATOM 0 HA LEU B 434 -9.974 8.312 3.678 1.00 0.32 H new ATOM 0 HB2 LEU B 434 -10.250 5.856 4.354 1.00 0.41 H new ATOM 0 HB3 LEU B 434 -9.480 6.223 5.885 1.00 0.41 H new ATOM 0 HG LEU B 434 -11.363 8.174 5.915 1.00 0.65 H new ATOM 0 HD11 LEU B 434 -13.479 7.267 4.992 1.00 0.84 H new ATOM 0 HD12 LEU B 434 -12.275 7.513 3.705 1.00 0.84 H new ATOM 0 HD13 LEU B 434 -12.593 5.875 4.326 1.00 0.84 H new ATOM 0 HD21 LEU B 434 -12.737 6.637 7.294 1.00 1.14 H new ATOM 0 HD22 LEU B 434 -11.850 5.245 6.627 1.00 1.14 H new ATOM 0 HD23 LEU B 434 -11.005 6.434 7.646 1.00 1.14 H new ATOM 2255 N THR B 435 -8.183 8.569 6.427 1.00 0.34 N ATOM 2256 CA THR B 435 -7.818 9.563 7.477 1.00 0.37 C ATOM 2257 C THR B 435 -7.112 10.764 6.844 1.00 0.35 C ATOM 2258 O THR B 435 -7.407 11.902 7.150 1.00 0.39 O ATOM 2259 CB THR B 435 -6.872 8.819 8.420 1.00 0.45 C ATOM 2260 OG1 THR B 435 -7.534 7.681 8.952 1.00 0.52 O ATOM 2261 CG2 THR B 435 -6.450 9.746 9.560 1.00 0.55 C ATOM 0 H THR B 435 -7.727 7.661 6.512 1.00 0.34 H new ATOM 0 HA THR B 435 -8.692 9.949 8.001 1.00 0.37 H new ATOM 0 HB THR B 435 -5.987 8.500 7.869 1.00 0.45 H new ATOM 0 HG1 THR B 435 -7.435 6.927 8.334 1.00 0.52 H new ATOM 0 HG21 THR B 435 -5.776 9.214 10.231 1.00 0.55 H new ATOM 0 HG22 THR B 435 -5.940 10.618 9.150 1.00 0.55 H new ATOM 0 HG23 THR B 435 -7.333 10.068 10.113 1.00 0.55 H new ATOM 2269 N THR B 436 -6.182 10.522 5.961 1.00 0.33 N ATOM 2270 CA THR B 436 -5.461 11.654 5.310 1.00 0.36 C ATOM 2271 C THR B 436 -6.456 12.561 4.585 1.00 0.36 C ATOM 2272 O THR B 436 -6.628 13.712 4.933 1.00 0.40 O ATOM 2273 CB THR B 436 -4.504 10.997 4.314 1.00 0.38 C ATOM 2274 OG1 THR B 436 -3.712 10.029 4.988 1.00 0.39 O ATOM 2275 CG2 THR B 436 -3.595 12.061 3.697 1.00 0.49 C ATOM 0 H THR B 436 -5.890 9.591 5.662 1.00 0.33 H new ATOM 0 HA THR B 436 -4.930 12.276 6.030 1.00 0.36 H new ATOM 0 HB THR B 436 -5.079 10.512 3.525 1.00 0.38 H new ATOM 0 HG1 THR B 436 -3.955 9.132 4.676 1.00 0.39 H new ATOM 0 HG21 THR B 436 -2.914 11.591 2.988 1.00 0.49 H new ATOM 0 HG22 THR B 436 -4.203 12.803 3.179 1.00 0.49 H new ATOM 0 HG23 THR B 436 -3.020 12.549 4.484 1.00 0.49 H new ATOM 2283 N ALA B 437 -7.118 12.051 3.581 1.00 0.34 N ATOM 2284 CA ALA B 437 -8.106 12.888 2.842 1.00 0.36 C ATOM 2285 C ALA B 437 -9.112 13.494 3.821 1.00 0.36 C ATOM 2286 O ALA B 437 -9.481 14.646 3.709 1.00 0.41 O ATOM 2287 CB ALA B 437 -8.801 11.928 1.877 1.00 0.35 C ATOM 0 H ALA B 437 -7.018 11.094 3.242 1.00 0.34 H new ATOM 0 HA ALA B 437 -7.635 13.718 2.314 1.00 0.36 H new ATOM 0 HB1 ALA B 437 -9.545 12.472 1.296 1.00 0.35 H new ATOM 0 HB2 ALA B 437 -8.063 11.491 1.204 1.00 0.35 H new ATOM 0 HB3 ALA B 437 -9.291 11.135 2.442 1.00 0.35 H new ATOM 2293 N LEU B 438 -9.551 12.735 4.790 1.00 0.34 N ATOM 2294 CA LEU B 438 -10.519 13.294 5.772 1.00 0.36 C ATOM 2295 C LEU B 438 -9.888 14.497 6.471 1.00 0.42 C ATOM 2296 O LEU B 438 -10.543 15.484 6.735 1.00 0.46 O ATOM 2297 CB LEU B 438 -10.801 12.167 6.773 1.00 0.36 C ATOM 2298 CG LEU B 438 -11.613 12.714 7.959 1.00 0.41 C ATOM 2299 CD1 LEU B 438 -12.856 13.451 7.448 1.00 0.42 C ATOM 2300 CD2 LEU B 438 -12.054 11.558 8.856 1.00 0.45 C ATOM 0 H LEU B 438 -9.283 11.762 4.942 1.00 0.34 H new ATOM 0 HA LEU B 438 -11.441 13.633 5.300 1.00 0.36 H new ATOM 0 HB2 LEU B 438 -11.351 11.363 6.284 1.00 0.36 H new ATOM 0 HB3 LEU B 438 -9.863 11.741 7.129 1.00 0.36 H new ATOM 0 HG LEU B 438 -10.988 13.404 8.525 1.00 0.41 H new ATOM 0 HD11 LEU B 438 -13.425 13.835 8.295 1.00 0.42 H new ATOM 0 HD12 LEU B 438 -12.551 14.280 6.810 1.00 0.42 H new ATOM 0 HD13 LEU B 438 -13.478 12.763 6.875 1.00 0.42 H new ATOM 0 HD21 LEU B 438 -12.629 11.948 9.696 1.00 0.45 H new ATOM 0 HD22 LEU B 438 -12.672 10.868 8.282 1.00 0.45 H new ATOM 0 HD23 LEU B 438 -11.176 11.033 9.231 1.00 0.45 H new ATOM 2312 N ARG B 439 -8.615 14.431 6.766 1.00 0.43 N ATOM 2313 CA ARG B 439 -7.949 15.584 7.438 1.00 0.50 C ATOM 2314 C ARG B 439 -8.258 16.868 6.666 1.00 0.54 C ATOM 2315 O ARG B 439 -8.558 17.896 7.241 1.00 0.60 O ATOM 2316 CB ARG B 439 -6.454 15.269 7.385 1.00 0.52 C ATOM 2317 CG ARG B 439 -5.694 16.235 8.296 1.00 0.77 C ATOM 2318 CD ARG B 439 -4.899 15.441 9.334 1.00 1.27 C ATOM 2319 NE ARG B 439 -4.917 16.285 10.560 1.00 1.73 N ATOM 2320 CZ ARG B 439 -4.181 15.958 11.588 1.00 2.28 C ATOM 2321 NH1 ARG B 439 -2.904 15.742 11.432 1.00 2.89 N ATOM 2322 NH2 ARG B 439 -4.723 15.846 12.769 1.00 2.81 N ATOM 0 H ARG B 439 -8.011 13.632 6.571 1.00 0.43 H new ATOM 0 HA ARG B 439 -8.290 15.729 8.463 1.00 0.50 H new ATOM 0 HB2 ARG B 439 -6.277 14.241 7.700 1.00 0.52 H new ATOM 0 HB3 ARG B 439 -6.090 15.356 6.361 1.00 0.52 H new ATOM 0 HG2 ARG B 439 -5.021 16.856 7.704 1.00 0.77 H new ATOM 0 HG3 ARG B 439 -6.393 16.907 8.794 1.00 0.77 H new ATOM 0 HD2 ARG B 439 -5.353 14.467 9.518 1.00 1.27 H new ATOM 0 HD3 ARG B 439 -3.879 15.259 8.995 1.00 1.27 H new ATOM 0 HE ARG B 439 -5.504 17.118 10.597 1.00 1.73 H new ATOM 0 HH11 ARG B 439 -2.481 15.829 10.508 1.00 2.89 H new ATOM 0 HH12 ARG B 439 -2.328 15.487 12.234 1.00 2.89 H new ATOM 0 HH21 ARG B 439 -5.722 16.014 12.890 1.00 2.81 H new ATOM 0 HH22 ARG B 439 -4.148 15.591 13.572 1.00 2.81 H new ATOM 2336 N HIS B 440 -8.214 16.804 5.363 1.00 0.52 N ATOM 2337 CA HIS B 440 -8.534 18.009 4.551 1.00 0.57 C ATOM 2338 C HIS B 440 -9.955 18.465 4.887 1.00 0.58 C ATOM 2339 O HIS B 440 -10.284 19.633 4.813 1.00 0.64 O ATOM 2340 CB HIS B 440 -8.439 17.539 3.097 1.00 0.55 C ATOM 2341 CG HIS B 440 -8.687 18.702 2.177 1.00 0.63 C ATOM 2342 ND1 HIS B 440 -9.542 18.866 1.115 1.00 1.04 N flip ATOM 2343 CD2 HIS B 440 -8.000 19.899 2.297 1.00 0.82 C flip ATOM 2344 CE1 HIS B 440 -9.390 20.143 0.584 1.00 0.97 C flip ATOM 2345 NE2 HIS B 440 -8.449 20.723 1.333 1.00 0.75 N flip ATOM 0 H HIS B 440 -7.971 15.970 4.828 1.00 0.52 H new ATOM 0 HA HIS B 440 -7.865 18.849 4.740 1.00 0.57 H new ATOM 0 HB2 HIS B 440 -7.454 17.113 2.905 1.00 0.55 H new ATOM 0 HB3 HIS B 440 -9.169 16.751 2.910 1.00 0.55 H new ATOM 0 HD2 HIS B 440 -7.242 20.129 3.031 1.00 0.82 H new ATOM 0 HE1 HIS B 440 -9.919 20.573 -0.254 1.00 0.97 H new ATOM 0 HE2 HIS B 440 -8.112 21.675 1.191 1.00 0.75 H new ATOM 2353 N THR B 441 -10.791 17.541 5.278 1.00 0.53 N ATOM 2354 CA THR B 441 -12.194 17.887 5.647 1.00 0.55 C ATOM 2355 C THR B 441 -12.530 17.236 6.992 1.00 0.56 C ATOM 2356 O THR B 441 -13.530 16.560 7.131 1.00 0.55 O ATOM 2357 CB THR B 441 -13.068 17.297 4.536 1.00 0.53 C ATOM 2358 OG1 THR B 441 -13.024 15.879 4.606 1.00 0.48 O ATOM 2359 CG2 THR B 441 -12.559 17.758 3.169 1.00 0.54 C ATOM 0 H THR B 441 -10.559 16.551 5.358 1.00 0.53 H new ATOM 0 HA THR B 441 -12.349 18.961 5.744 1.00 0.55 H new ATOM 0 HB THR B 441 -14.094 17.640 4.667 1.00 0.53 H new ATOM 0 HG1 THR B 441 -13.513 15.575 5.399 1.00 0.48 H new ATOM 0 HG21 THR B 441 -13.186 17.334 2.385 1.00 0.54 H new ATOM 0 HG22 THR B 441 -12.597 18.846 3.115 1.00 0.54 H new ATOM 0 HG23 THR B 441 -11.531 17.423 3.032 1.00 0.54 H new ATOM 2367 N GLN B 442 -11.680 17.424 7.973 1.00 0.59 N ATOM 2368 CA GLN B 442 -11.900 16.814 9.323 1.00 0.62 C ATOM 2369 C GLN B 442 -13.374 16.873 9.740 1.00 0.64 C ATOM 2370 O GLN B 442 -13.999 17.915 9.711 1.00 0.69 O ATOM 2371 CB GLN B 442 -11.048 17.656 10.271 1.00 0.69 C ATOM 2372 CG GLN B 442 -11.528 19.109 10.232 1.00 1.43 C ATOM 2373 CD GLN B 442 -10.326 20.048 10.364 1.00 1.79 C ATOM 2374 OE1 GLN B 442 -9.611 20.277 9.410 1.00 2.16 O ATOM 2375 NE2 GLN B 442 -10.074 20.605 11.517 1.00 2.47 N ATOM 0 H GLN B 442 -10.830 17.983 7.894 1.00 0.59 H new ATOM 0 HA GLN B 442 -11.628 15.759 9.332 1.00 0.62 H new ATOM 0 HB2 GLN B 442 -11.119 17.265 11.286 1.00 0.69 H new ATOM 0 HB3 GLN B 442 -9.999 17.600 9.981 1.00 0.69 H new ATOM 0 HG2 GLN B 442 -12.054 19.304 9.298 1.00 1.43 H new ATOM 0 HG3 GLN B 442 -12.236 19.291 11.041 1.00 1.43 H new ATOM 0 HE21 GLN B 442 -10.675 20.413 12.319 1.00 2.47 H new ATOM 0 HE22 GLN B 442 -9.276 21.233 11.617 1.00 2.47 H new ATOM 2384 N GLY B 443 -13.929 15.758 10.131 1.00 0.63 N ATOM 2385 CA GLY B 443 -15.357 15.738 10.555 1.00 0.66 C ATOM 2386 C GLY B 443 -16.250 15.486 9.340 1.00 0.64 C ATOM 2387 O GLY B 443 -17.143 14.662 9.376 1.00 0.66 O ATOM 0 H GLY B 443 -13.453 14.857 10.175 1.00 0.63 H new ATOM 0 HA2 GLY B 443 -15.514 14.960 11.302 1.00 0.66 H new ATOM 0 HA3 GLY B 443 -15.621 16.687 11.023 1.00 0.66 H new ATOM 2391 N HIS B 444 -16.021 16.188 8.265 1.00 0.62 N ATOM 2392 CA HIS B 444 -16.862 15.988 7.052 1.00 0.62 C ATOM 2393 C HIS B 444 -16.465 14.692 6.338 1.00 0.67 C ATOM 2394 O HIS B 444 -16.012 14.707 5.210 1.00 1.34 O ATOM 2395 CB HIS B 444 -16.571 17.199 6.166 1.00 0.63 C ATOM 2396 CG HIS B 444 -17.156 18.433 6.796 1.00 0.95 C ATOM 2397 ND1 HIS B 444 -18.523 18.635 6.894 1.00 1.52 N ATOM 2398 CD2 HIS B 444 -16.572 19.537 7.365 1.00 1.62 C ATOM 2399 CE1 HIS B 444 -18.715 19.821 7.501 1.00 1.77 C ATOM 2400 NE2 HIS B 444 -17.559 20.412 7.811 1.00 1.86 N ATOM 0 H HIS B 444 -15.288 16.891 8.174 1.00 0.62 H new ATOM 0 HA HIS B 444 -17.922 15.904 7.294 1.00 0.62 H new ATOM 0 HB2 HIS B 444 -15.495 17.319 6.037 1.00 0.63 H new ATOM 0 HB3 HIS B 444 -16.996 17.048 5.174 1.00 0.63 H new ATOM 0 HD2 HIS B 444 -15.508 19.702 7.453 1.00 1.62 H new ATOM 0 HE1 HIS B 444 -19.686 20.243 7.712 1.00 1.77 H new ATOM 0 HE2 HIS B 444 -17.427 21.311 8.275 1.00 1.86 H new ATOM 2408 N LYS B 445 -16.637 13.569 6.984 1.00 0.62 N ATOM 2409 CA LYS B 445 -16.273 12.273 6.339 1.00 0.51 C ATOM 2410 C LYS B 445 -16.936 12.168 4.962 1.00 0.51 C ATOM 2411 O LYS B 445 -16.444 11.502 4.072 1.00 0.57 O ATOM 2412 CB LYS B 445 -16.820 11.199 7.278 1.00 0.62 C ATOM 2413 CG LYS B 445 -16.464 9.816 6.731 1.00 1.31 C ATOM 2414 CD LYS B 445 -15.506 9.115 7.696 1.00 1.56 C ATOM 2415 CE LYS B 445 -16.293 8.561 8.887 1.00 2.23 C ATOM 2416 NZ LYS B 445 -15.406 7.526 9.484 1.00 2.52 N ATOM 0 H LYS B 445 -17.013 13.493 7.929 1.00 0.62 H new ATOM 0 HA LYS B 445 -15.199 12.173 6.186 1.00 0.51 H new ATOM 0 HB2 LYS B 445 -16.401 11.326 8.276 1.00 0.62 H new ATOM 0 HB3 LYS B 445 -17.902 11.298 7.371 1.00 0.62 H new ATOM 0 HG2 LYS B 445 -17.368 9.220 6.603 1.00 1.31 H new ATOM 0 HG3 LYS B 445 -16.002 9.910 5.748 1.00 1.31 H new ATOM 0 HD2 LYS B 445 -14.984 8.306 7.184 1.00 1.56 H new ATOM 0 HD3 LYS B 445 -14.746 9.815 8.043 1.00 1.56 H new ATOM 0 HE2 LYS B 445 -16.525 9.346 9.607 1.00 2.23 H new ATOM 0 HE3 LYS B 445 -17.242 8.131 8.568 1.00 2.23 H new ATOM 0 HZ1 LYS B 445 -15.876 7.099 10.308 1.00 2.52 H new ATOM 0 HZ2 LYS B 445 -15.208 6.789 8.778 1.00 2.52 H new ATOM 0 HZ3 LYS B 445 -14.513 7.966 9.785 1.00 2.52 H new ATOM 2430 N GLN B 446 -18.051 12.823 4.782 1.00 0.53 N ATOM 2431 CA GLN B 446 -18.751 12.764 3.467 1.00 0.56 C ATOM 2432 C GLN B 446 -17.913 13.460 2.390 1.00 0.52 C ATOM 2433 O GLN B 446 -17.824 13.002 1.268 1.00 0.51 O ATOM 2434 CB GLN B 446 -20.066 13.513 3.686 1.00 0.64 C ATOM 2435 CG GLN B 446 -21.114 12.552 4.251 1.00 1.11 C ATOM 2436 CD GLN B 446 -22.047 13.313 5.195 1.00 1.79 C ATOM 2437 OE1 GLN B 446 -21.691 14.352 5.714 1.00 2.45 O ATOM 2438 NE2 GLN B 446 -23.238 12.838 5.439 1.00 2.40 N ATOM 0 H GLN B 446 -18.508 13.397 5.490 1.00 0.53 H new ATOM 0 HA GLN B 446 -18.914 11.740 3.132 1.00 0.56 H new ATOM 0 HB2 GLN B 446 -19.913 14.345 4.373 1.00 0.64 H new ATOM 0 HB3 GLN B 446 -20.416 13.937 2.745 1.00 0.64 H new ATOM 0 HG2 GLN B 446 -21.687 12.104 3.439 1.00 1.11 H new ATOM 0 HG3 GLN B 446 -20.625 11.737 4.784 1.00 1.11 H new ATOM 0 HE21 GLN B 446 -23.538 11.966 5.004 1.00 2.40 H new ATOM 0 HE22 GLN B 446 -23.869 13.339 6.065 1.00 2.40 H new ATOM 2447 N GLU B 447 -17.301 14.564 2.722 1.00 0.52 N ATOM 2448 CA GLU B 447 -16.471 15.288 1.717 1.00 0.51 C ATOM 2449 C GLU B 447 -15.406 14.353 1.136 1.00 0.45 C ATOM 2450 O GLU B 447 -15.143 14.357 -0.048 1.00 0.45 O ATOM 2451 CB GLU B 447 -15.816 16.431 2.492 1.00 0.53 C ATOM 2452 CG GLU B 447 -16.743 17.648 2.487 1.00 0.80 C ATOM 2453 CD GLU B 447 -15.934 18.906 2.803 1.00 1.32 C ATOM 2454 OE1 GLU B 447 -15.425 19.508 1.871 1.00 1.96 O ATOM 2455 OE2 GLU B 447 -15.839 19.248 3.969 1.00 2.14 O ATOM 0 H GLU B 447 -17.340 14.996 3.645 1.00 0.52 H new ATOM 0 HA GLU B 447 -17.064 15.652 0.878 1.00 0.51 H new ATOM 0 HB2 GLU B 447 -15.612 16.120 3.517 1.00 0.53 H new ATOM 0 HB3 GLU B 447 -14.858 16.688 2.041 1.00 0.53 H new ATOM 0 HG2 GLU B 447 -17.225 17.747 1.514 1.00 0.80 H new ATOM 0 HG3 GLU B 447 -17.536 17.518 3.224 1.00 0.80 H new ATOM 2462 N ALA B 448 -14.793 13.551 1.965 1.00 0.43 N ATOM 2463 CA ALA B 448 -13.746 12.614 1.463 1.00 0.39 C ATOM 2464 C ALA B 448 -14.275 11.811 0.270 1.00 0.40 C ATOM 2465 O ALA B 448 -13.518 11.322 -0.545 1.00 0.40 O ATOM 2466 CB ALA B 448 -13.446 11.690 2.642 1.00 0.39 C ATOM 0 H ALA B 448 -14.972 13.504 2.968 1.00 0.43 H new ATOM 0 HA ALA B 448 -12.855 13.139 1.118 1.00 0.39 H new ATOM 0 HB1 ALA B 448 -12.682 10.968 2.353 1.00 0.39 H new ATOM 0 HB2 ALA B 448 -13.087 12.281 3.485 1.00 0.39 H new ATOM 0 HB3 ALA B 448 -14.355 11.161 2.930 1.00 0.39 H new ATOM 2472 N ALA B 449 -15.567 11.670 0.162 1.00 0.44 N ATOM 2473 CA ALA B 449 -16.142 10.900 -0.977 1.00 0.47 C ATOM 2474 C ALA B 449 -15.687 11.500 -2.309 1.00 0.48 C ATOM 2475 O ALA B 449 -15.001 10.865 -3.087 1.00 0.49 O ATOM 2476 CB ALA B 449 -17.657 11.039 -0.822 1.00 0.52 C ATOM 0 H ALA B 449 -16.250 12.055 0.814 1.00 0.44 H new ATOM 0 HA ALA B 449 -15.822 9.858 -0.972 1.00 0.47 H new ATOM 0 HB1 ALA B 449 -18.156 10.498 -1.626 1.00 0.52 H new ATOM 0 HB2 ALA B 449 -17.964 10.626 0.139 1.00 0.52 H new ATOM 0 HB3 ALA B 449 -17.932 12.093 -0.869 1.00 0.52 H new ATOM 2482 N ARG B 450 -16.067 12.719 -2.580 1.00 0.49 N ATOM 2483 CA ARG B 450 -15.662 13.363 -3.863 1.00 0.52 C ATOM 2484 C ARG B 450 -14.147 13.583 -3.893 1.00 0.49 C ATOM 2485 O ARG B 450 -13.528 13.563 -4.939 1.00 0.50 O ATOM 2486 CB ARG B 450 -16.399 14.703 -3.882 1.00 0.57 C ATOM 2487 CG ARG B 450 -17.241 14.805 -5.154 1.00 0.78 C ATOM 2488 CD ARG B 450 -17.330 16.270 -5.591 1.00 1.37 C ATOM 2489 NE ARG B 450 -18.440 16.845 -4.782 1.00 1.76 N ATOM 2490 CZ ARG B 450 -18.963 17.993 -5.116 1.00 2.35 C ATOM 2491 NH1 ARG B 450 -18.238 19.078 -5.074 1.00 2.97 N ATOM 2492 NH2 ARG B 450 -20.211 18.058 -5.489 1.00 2.93 N ATOM 0 H ARG B 450 -16.641 13.298 -1.967 1.00 0.49 H new ATOM 0 HA ARG B 450 -15.909 12.748 -4.729 1.00 0.52 H new ATOM 0 HB2 ARG B 450 -17.037 14.791 -3.003 1.00 0.57 H new ATOM 0 HB3 ARG B 450 -15.683 15.524 -3.840 1.00 0.57 H new ATOM 0 HG2 ARG B 450 -16.796 14.204 -5.947 1.00 0.78 H new ATOM 0 HG3 ARG B 450 -18.240 14.406 -4.975 1.00 0.78 H new ATOM 0 HD2 ARG B 450 -16.393 16.795 -5.406 1.00 1.37 H new ATOM 0 HD3 ARG B 450 -17.536 16.352 -6.658 1.00 1.37 H new ATOM 0 HE ARG B 450 -18.791 16.342 -3.967 1.00 1.76 H new ATOM 0 HH11 ARG B 450 -17.263 19.028 -4.780 1.00 2.97 H new ATOM 0 HH12 ARG B 450 -18.647 19.975 -5.335 1.00 2.97 H new ATOM 0 HH21 ARG B 450 -20.779 17.211 -5.520 1.00 2.93 H new ATOM 0 HH22 ARG B 450 -20.619 18.956 -5.750 1.00 2.93 H new ATOM 2506 N LEU B 451 -13.546 13.794 -2.755 1.00 0.48 N ATOM 2507 CA LEU B 451 -12.071 14.015 -2.723 1.00 0.47 C ATOM 2508 C LEU B 451 -11.336 12.758 -3.194 1.00 0.44 C ATOM 2509 O LEU B 451 -10.242 12.827 -3.720 1.00 0.48 O ATOM 2510 CB LEU B 451 -11.746 14.310 -1.259 1.00 0.46 C ATOM 2511 CG LEU B 451 -11.806 15.818 -1.016 1.00 0.53 C ATOM 2512 CD1 LEU B 451 -12.382 16.090 0.375 1.00 0.92 C ATOM 2513 CD2 LEU B 451 -10.396 16.403 -1.107 1.00 1.04 C ATOM 0 H LEU B 451 -14.010 13.823 -1.847 1.00 0.48 H new ATOM 0 HA LEU B 451 -11.762 14.827 -3.381 1.00 0.47 H new ATOM 0 HB2 LEU B 451 -12.455 13.798 -0.608 1.00 0.46 H new ATOM 0 HB3 LEU B 451 -10.754 13.931 -1.012 1.00 0.46 H new ATOM 0 HG LEU B 451 -12.443 16.282 -1.769 1.00 0.53 H new ATOM 0 HD11 LEU B 451 -12.424 17.165 0.547 1.00 0.92 H new ATOM 0 HD12 LEU B 451 -13.387 15.672 0.441 1.00 0.92 H new ATOM 0 HD13 LEU B 451 -11.746 15.626 1.129 1.00 0.92 H new ATOM 0 HD21 LEU B 451 -10.436 17.478 -0.934 1.00 1.04 H new ATOM 0 HD22 LEU B 451 -9.760 15.938 -0.354 1.00 1.04 H new ATOM 0 HD23 LEU B 451 -9.985 16.210 -2.098 1.00 1.04 H new ATOM 2525 N LEU B 452 -11.927 11.609 -3.009 1.00 0.42 N ATOM 2526 CA LEU B 452 -11.259 10.349 -3.448 1.00 0.40 C ATOM 2527 C LEU B 452 -11.969 9.764 -4.676 1.00 0.46 C ATOM 2528 O LEU B 452 -11.743 8.631 -5.049 1.00 0.51 O ATOM 2529 CB LEU B 452 -11.389 9.395 -2.257 1.00 0.37 C ATOM 2530 CG LEU B 452 -10.764 10.030 -1.013 1.00 0.35 C ATOM 2531 CD1 LEU B 452 -11.372 9.397 0.239 1.00 0.31 C ATOM 2532 CD2 LEU B 452 -9.253 9.786 -1.020 1.00 0.43 C ATOM 0 H LEU B 452 -12.842 11.488 -2.574 1.00 0.42 H new ATOM 0 HA LEU B 452 -10.220 10.516 -3.732 1.00 0.40 H new ATOM 0 HB2 LEU B 452 -12.439 9.170 -2.073 1.00 0.37 H new ATOM 0 HB3 LEU B 452 -10.895 8.450 -2.481 1.00 0.37 H new ATOM 0 HG LEU B 452 -10.960 11.102 -1.014 1.00 0.35 H new ATOM 0 HD11 LEU B 452 -10.928 9.848 1.127 1.00 0.31 H new ATOM 0 HD12 LEU B 452 -12.449 9.566 0.246 1.00 0.31 H new ATOM 0 HD13 LEU B 452 -11.173 8.325 0.238 1.00 0.31 H new ATOM 0 HD21 LEU B 452 -8.807 10.238 -0.134 1.00 0.43 H new ATOM 0 HD22 LEU B 452 -9.058 8.714 -1.017 1.00 0.43 H new ATOM 0 HD23 LEU B 452 -8.817 10.232 -1.914 1.00 0.43 H new ATOM 2544 N GLY B 453 -12.825 10.523 -5.307 1.00 0.50 N ATOM 2545 CA GLY B 453 -13.540 9.997 -6.504 1.00 0.56 C ATOM 2546 C GLY B 453 -14.298 8.725 -6.123 1.00 0.58 C ATOM 2547 O GLY B 453 -14.328 7.762 -6.864 1.00 0.68 O ATOM 0 H GLY B 453 -13.059 11.481 -5.046 1.00 0.50 H new ATOM 0 HA2 GLY B 453 -14.233 10.746 -6.886 1.00 0.56 H new ATOM 0 HA3 GLY B 453 -12.829 9.785 -7.302 1.00 0.56 H new ATOM 2551 N TRP B 454 -14.906 8.714 -4.972 1.00 0.54 N ATOM 2552 CA TRP B 454 -15.661 7.505 -4.534 1.00 0.60 C ATOM 2553 C TRP B 454 -17.162 7.802 -4.496 1.00 0.69 C ATOM 2554 O TRP B 454 -17.903 7.420 -5.379 1.00 1.16 O ATOM 2555 CB TRP B 454 -15.141 7.206 -3.125 1.00 0.53 C ATOM 2556 CG TRP B 454 -13.934 6.317 -3.191 1.00 0.52 C ATOM 2557 CD1 TRP B 454 -13.140 6.143 -4.278 1.00 0.58 C ATOM 2558 CD2 TRP B 454 -13.369 5.483 -2.138 1.00 0.50 C ATOM 2559 NE1 TRP B 454 -12.127 5.254 -3.961 1.00 0.58 N ATOM 2560 CE2 TRP B 454 -12.220 4.817 -2.655 1.00 0.52 C ATOM 2561 CE3 TRP B 454 -13.738 5.236 -0.790 1.00 0.51 C ATOM 2562 CZ2 TRP B 454 -11.460 3.937 -1.863 1.00 0.52 C ATOM 2563 CZ3 TRP B 454 -12.976 4.351 0.012 1.00 0.53 C ATOM 2564 CH2 TRP B 454 -11.839 3.703 -0.526 1.00 0.51 C ATOM 0 H TRP B 454 -14.914 9.492 -4.312 1.00 0.54 H new ATOM 0 HA TRP B 454 -15.521 6.663 -5.211 1.00 0.60 H new ATOM 0 HB2 TRP B 454 -14.887 8.137 -2.619 1.00 0.53 H new ATOM 0 HB3 TRP B 454 -15.923 6.726 -2.536 1.00 0.53 H new ATOM 0 HD1 TRP B 454 -13.277 6.621 -5.237 1.00 0.58 H new ATOM 0 HE1 TRP B 454 -11.401 4.958 -4.613 1.00 0.58 H new ATOM 0 HE3 TRP B 454 -14.605 5.726 -0.373 1.00 0.51 H new ATOM 0 HZ2 TRP B 454 -10.592 3.444 -2.277 1.00 0.52 H new ATOM 0 HZ3 TRP B 454 -13.264 4.170 1.037 1.00 0.53 H new ATOM 0 HH2 TRP B 454 -11.261 3.029 0.088 1.00 0.51 H new ATOM 2575 N GLY B 455 -17.615 8.476 -3.474 1.00 0.72 N ATOM 2576 CA GLY B 455 -19.066 8.794 -3.371 1.00 0.72 C ATOM 2577 C GLY B 455 -19.563 8.434 -1.971 1.00 0.70 C ATOM 2578 O GLY B 455 -18.784 8.145 -1.085 1.00 0.64 O ATOM 0 H GLY B 455 -17.041 8.820 -2.705 1.00 0.72 H new ATOM 0 HA2 GLY B 455 -19.233 9.853 -3.568 1.00 0.72 H new ATOM 0 HA3 GLY B 455 -19.626 8.238 -4.123 1.00 0.72 H new ATOM 2582 N ALA B 456 -20.850 8.444 -1.762 1.00 0.77 N ATOM 2583 CA ALA B 456 -21.386 8.096 -0.416 1.00 0.77 C ATOM 2584 C ALA B 456 -21.613 6.586 -0.322 1.00 0.82 C ATOM 2585 O ALA B 456 -21.521 5.999 0.738 1.00 0.83 O ATOM 2586 CB ALA B 456 -22.713 8.848 -0.309 1.00 0.84 C ATOM 0 H ALA B 456 -21.553 8.678 -2.463 1.00 0.77 H new ATOM 0 HA ALA B 456 -20.702 8.368 0.388 1.00 0.77 H new ATOM 0 HB1 ALA B 456 -23.171 8.642 0.658 1.00 0.84 H new ATOM 0 HB2 ALA B 456 -22.533 9.919 -0.405 1.00 0.84 H new ATOM 0 HB3 ALA B 456 -23.382 8.520 -1.104 1.00 0.84 H new ATOM 2592 N ALA B 457 -21.905 5.953 -1.424 1.00 0.90 N ATOM 2593 CA ALA B 457 -22.130 4.481 -1.399 1.00 0.97 C ATOM 2594 C ALA B 457 -20.805 3.755 -1.156 1.00 0.89 C ATOM 2595 O ALA B 457 -20.745 2.770 -0.447 1.00 0.91 O ATOM 2596 CB ALA B 457 -22.686 4.140 -2.781 1.00 1.07 C ATOM 0 H ALA B 457 -21.998 6.391 -2.340 1.00 0.90 H new ATOM 0 HA ALA B 457 -22.811 4.178 -0.604 1.00 0.97 H new ATOM 0 HB1 ALA B 457 -22.878 3.069 -2.842 1.00 1.07 H new ATOM 0 HB2 ALA B 457 -23.616 4.685 -2.944 1.00 1.07 H new ATOM 0 HB3 ALA B 457 -21.961 4.422 -3.545 1.00 1.07 H new ATOM 2602 N THR B 458 -19.741 4.238 -1.738 1.00 0.84 N ATOM 2603 CA THR B 458 -18.417 3.582 -1.539 1.00 0.77 C ATOM 2604 C THR B 458 -17.886 3.888 -0.137 1.00 0.68 C ATOM 2605 O THR B 458 -17.561 2.997 0.622 1.00 0.67 O ATOM 2606 CB THR B 458 -17.507 4.193 -2.605 1.00 0.76 C ATOM 2607 OG1 THR B 458 -18.079 3.989 -3.890 1.00 0.85 O ATOM 2608 CG2 THR B 458 -16.132 3.525 -2.546 1.00 0.72 C ATOM 0 H THR B 458 -19.731 5.059 -2.343 1.00 0.84 H new ATOM 0 HA THR B 458 -18.474 2.497 -1.628 1.00 0.77 H new ATOM 0 HB THR B 458 -17.399 5.262 -2.421 1.00 0.76 H new ATOM 0 HG1 THR B 458 -17.497 4.382 -4.573 1.00 0.85 H new ATOM 0 HG21 THR B 458 -15.483 3.960 -3.306 1.00 0.72 H new ATOM 0 HG22 THR B 458 -15.693 3.682 -1.561 1.00 0.72 H new ATOM 0 HG23 THR B 458 -16.239 2.456 -2.729 1.00 0.72 H new ATOM 2616 N LEU B 459 -17.801 5.143 0.216 1.00 0.64 N ATOM 2617 CA LEU B 459 -17.296 5.505 1.573 1.00 0.57 C ATOM 2618 C LEU B 459 -18.083 4.745 2.644 1.00 0.60 C ATOM 2619 O LEU B 459 -17.573 4.434 3.701 1.00 0.58 O ATOM 2620 CB LEU B 459 -17.533 7.013 1.696 1.00 0.56 C ATOM 2621 CG LEU B 459 -16.198 7.722 1.937 1.00 0.47 C ATOM 2622 CD1 LEU B 459 -16.247 9.123 1.334 1.00 0.48 C ATOM 2623 CD2 LEU B 459 -15.941 7.836 3.436 1.00 0.46 C ATOM 0 H LEU B 459 -18.059 5.933 -0.376 1.00 0.64 H new ATOM 0 HA LEU B 459 -16.245 5.249 1.708 1.00 0.57 H new ATOM 0 HB2 LEU B 459 -18.000 7.394 0.788 1.00 0.56 H new ATOM 0 HB3 LEU B 459 -18.219 7.218 2.518 1.00 0.56 H new ATOM 0 HG LEU B 459 -15.399 7.147 1.470 1.00 0.47 H new ATOM 0 HD11 LEU B 459 -15.296 9.627 1.506 1.00 0.48 H new ATOM 0 HD12 LEU B 459 -16.431 9.051 0.262 1.00 0.48 H new ATOM 0 HD13 LEU B 459 -17.049 9.693 1.802 1.00 0.48 H new ATOM 0 HD21 LEU B 459 -14.990 8.341 3.605 1.00 0.46 H new ATOM 0 HD22 LEU B 459 -16.744 8.409 3.900 1.00 0.46 H new ATOM 0 HD23 LEU B 459 -15.906 6.839 3.876 1.00 0.46 H new ATOM 2635 N THR B 460 -19.323 4.437 2.372 1.00 0.68 N ATOM 2636 CA THR B 460 -20.145 3.692 3.367 1.00 0.74 C ATOM 2637 C THR B 460 -20.004 2.183 3.140 1.00 0.76 C ATOM 2638 O THR B 460 -19.744 1.430 4.058 1.00 0.75 O ATOM 2639 CB THR B 460 -21.585 4.140 3.112 1.00 0.83 C ATOM 2640 OG1 THR B 460 -21.697 5.532 3.373 1.00 0.82 O ATOM 2641 CG2 THR B 460 -22.533 3.369 4.031 1.00 0.92 C ATOM 0 H THR B 460 -19.802 4.670 1.502 1.00 0.68 H new ATOM 0 HA THR B 460 -19.834 3.892 4.392 1.00 0.74 H new ATOM 0 HB THR B 460 -21.850 3.941 2.074 1.00 0.83 H new ATOM 0 HG1 THR B 460 -21.646 6.028 2.529 1.00 0.82 H new ATOM 0 HG21 THR B 460 -23.558 3.690 3.848 1.00 0.92 H new ATOM 0 HG22 THR B 460 -22.446 2.301 3.831 1.00 0.92 H new ATOM 0 HG23 THR B 460 -22.272 3.566 5.071 1.00 0.92 H new ATOM 2649 N ALA B 461 -20.172 1.737 1.926 1.00 0.81 N ATOM 2650 CA ALA B 461 -20.045 0.278 1.643 1.00 0.85 C ATOM 2651 C ALA B 461 -18.634 -0.203 1.991 1.00 0.79 C ATOM 2652 O ALA B 461 -18.445 -1.295 2.487 1.00 0.83 O ATOM 2653 CB ALA B 461 -20.305 0.139 0.143 1.00 0.92 C ATOM 0 H ALA B 461 -20.392 2.319 1.117 1.00 0.81 H new ATOM 0 HA ALA B 461 -20.741 -0.320 2.232 1.00 0.85 H new ATOM 0 HB1 ALA B 461 -20.229 -0.910 -0.144 1.00 0.92 H new ATOM 0 HB2 ALA B 461 -21.304 0.507 -0.089 1.00 0.92 H new ATOM 0 HB3 ALA B 461 -19.567 0.721 -0.410 1.00 0.92 H new ATOM 2659 N LYS B 462 -17.643 0.607 1.736 1.00 0.72 N ATOM 2660 CA LYS B 462 -16.245 0.197 2.056 1.00 0.68 C ATOM 2661 C LYS B 462 -16.068 0.081 3.572 1.00 0.65 C ATOM 2662 O LYS B 462 -15.271 -0.698 4.057 1.00 0.66 O ATOM 2663 CB LYS B 462 -15.365 1.315 1.497 1.00 0.66 C ATOM 2664 CG LYS B 462 -15.350 1.236 -0.032 1.00 0.99 C ATOM 2665 CD LYS B 462 -14.714 -0.085 -0.469 1.00 0.91 C ATOM 2666 CE LYS B 462 -13.492 0.200 -1.343 1.00 1.31 C ATOM 2667 NZ LYS B 462 -12.440 -0.730 -0.845 1.00 1.39 N ATOM 0 H LYS B 462 -17.740 1.534 1.321 1.00 0.72 H new ATOM 0 HA LYS B 462 -15.989 -0.772 1.629 1.00 0.68 H new ATOM 0 HB2 LYS B 462 -15.744 2.285 1.818 1.00 0.66 H new ATOM 0 HB3 LYS B 462 -14.351 1.224 1.887 1.00 0.66 H new ATOM 0 HG2 LYS B 462 -16.366 1.309 -0.420 1.00 0.99 H new ATOM 0 HG3 LYS B 462 -14.790 2.075 -0.445 1.00 0.99 H new ATOM 0 HD2 LYS B 462 -14.421 -0.666 0.405 1.00 0.91 H new ATOM 0 HD3 LYS B 462 -15.438 -0.684 -1.022 1.00 0.91 H new ATOM 0 HE2 LYS B 462 -13.710 0.023 -2.396 1.00 1.31 H new ATOM 0 HE3 LYS B 462 -13.176 1.239 -1.253 1.00 1.31 H new ATOM 0 HZ1 LYS B 462 -11.568 -0.595 -1.396 1.00 1.39 H new ATOM 0 HZ2 LYS B 462 -12.250 -0.533 0.158 1.00 1.39 H new ATOM 0 HZ3 LYS B 462 -12.767 -1.712 -0.949 1.00 1.39 H new ATOM 2681 N LEU B 463 -16.809 0.849 4.323 1.00 0.65 N ATOM 2682 CA LEU B 463 -16.690 0.784 5.807 1.00 0.65 C ATOM 2683 C LEU B 463 -17.098 -0.605 6.307 1.00 0.68 C ATOM 2684 O LEU B 463 -16.540 -1.123 7.254 1.00 0.70 O ATOM 2685 CB LEU B 463 -17.655 1.848 6.329 1.00 0.68 C ATOM 2686 CG LEU B 463 -17.185 2.341 7.699 1.00 0.81 C ATOM 2687 CD1 LEU B 463 -16.609 3.753 7.566 1.00 0.99 C ATOM 2688 CD2 LEU B 463 -18.370 2.365 8.666 1.00 0.99 C ATOM 0 H LEU B 463 -17.493 1.520 3.972 1.00 0.65 H new ATOM 0 HA LEU B 463 -15.670 0.958 6.149 1.00 0.65 H new ATOM 0 HB2 LEU B 463 -17.706 2.682 5.629 1.00 0.68 H new ATOM 0 HB3 LEU B 463 -18.661 1.435 6.406 1.00 0.68 H new ATOM 0 HG LEU B 463 -16.416 1.670 8.081 1.00 0.81 H new ATOM 0 HD11 LEU B 463 -16.275 4.103 8.543 1.00 0.99 H new ATOM 0 HD12 LEU B 463 -15.764 3.738 6.877 1.00 0.99 H new ATOM 0 HD13 LEU B 463 -17.377 4.425 7.183 1.00 0.99 H new ATOM 0 HD21 LEU B 463 -18.036 2.716 9.642 1.00 0.99 H new ATOM 0 HD22 LEU B 463 -19.139 3.036 8.283 1.00 0.99 H new ATOM 0 HD23 LEU B 463 -18.781 1.360 8.763 1.00 0.99 H new ATOM 2700 N LYS B 464 -18.066 -1.211 5.675 1.00 0.72 N ATOM 2701 CA LYS B 464 -18.511 -2.566 6.111 1.00 0.77 C ATOM 2702 C LYS B 464 -17.711 -3.645 5.377 1.00 0.76 C ATOM 2703 O LYS B 464 -17.264 -4.609 5.966 1.00 0.82 O ATOM 2704 CB LYS B 464 -19.990 -2.640 5.727 1.00 0.85 C ATOM 2705 CG LYS B 464 -20.679 -3.724 6.557 1.00 1.20 C ATOM 2706 CD LYS B 464 -21.496 -3.070 7.673 1.00 1.62 C ATOM 2707 CE LYS B 464 -20.843 -3.366 9.024 1.00 2.25 C ATOM 2708 NZ LYS B 464 -21.972 -3.425 9.992 1.00 2.66 N ATOM 0 H LYS B 464 -18.568 -0.826 4.875 1.00 0.72 H new ATOM 0 HA LYS B 464 -18.359 -2.728 7.178 1.00 0.77 H new ATOM 0 HB2 LYS B 464 -20.470 -1.676 5.898 1.00 0.85 H new ATOM 0 HB3 LYS B 464 -20.090 -2.862 4.665 1.00 0.85 H new ATOM 0 HG2 LYS B 464 -21.328 -4.326 5.921 1.00 1.20 H new ATOM 0 HG3 LYS B 464 -19.936 -4.398 6.983 1.00 1.20 H new ATOM 0 HD2 LYS B 464 -21.553 -1.993 7.513 1.00 1.62 H new ATOM 0 HD3 LYS B 464 -22.518 -3.449 7.660 1.00 1.62 H new ATOM 0 HE2 LYS B 464 -20.294 -4.308 8.999 1.00 2.25 H new ATOM 0 HE3 LYS B 464 -20.130 -2.588 9.297 1.00 2.25 H new ATOM 0 HZ1 LYS B 464 -21.603 -3.625 10.944 1.00 2.66 H new ATOM 0 HZ2 LYS B 464 -22.472 -2.513 9.999 1.00 2.66 H new ATOM 0 HZ3 LYS B 464 -22.631 -4.179 9.711 1.00 2.66 H new ATOM 2722 N GLU B 465 -17.528 -3.490 4.094 1.00 0.73 N ATOM 2723 CA GLU B 465 -16.758 -4.506 3.320 1.00 0.76 C ATOM 2724 C GLU B 465 -15.395 -4.748 3.976 1.00 0.69 C ATOM 2725 O GLU B 465 -14.983 -5.874 4.178 1.00 0.85 O ATOM 2726 CB GLU B 465 -16.581 -3.895 1.931 1.00 0.79 C ATOM 2727 CG GLU B 465 -16.211 -4.992 0.932 1.00 1.12 C ATOM 2728 CD GLU B 465 -15.935 -4.365 -0.435 1.00 1.42 C ATOM 2729 OE1 GLU B 465 -16.576 -3.374 -0.750 1.00 2.03 O ATOM 2730 OE2 GLU B 465 -15.090 -4.885 -1.145 1.00 1.94 O ATOM 0 H GLU B 465 -17.879 -2.703 3.548 1.00 0.73 H new ATOM 0 HA GLU B 465 -17.268 -5.468 3.280 1.00 0.76 H new ATOM 0 HB2 GLU B 465 -17.501 -3.401 1.620 1.00 0.79 H new ATOM 0 HB3 GLU B 465 -15.802 -3.133 1.954 1.00 0.79 H new ATOM 0 HG2 GLU B 465 -15.331 -5.534 1.280 1.00 1.12 H new ATOM 0 HG3 GLU B 465 -17.022 -5.717 0.855 1.00 1.12 H new ATOM 2737 N LEU B 466 -14.692 -3.701 4.307 1.00 0.56 N ATOM 2738 CA LEU B 466 -13.358 -3.869 4.948 1.00 0.59 C ATOM 2739 C LEU B 466 -13.499 -4.624 6.273 1.00 0.70 C ATOM 2740 O LEU B 466 -12.585 -5.289 6.719 1.00 0.81 O ATOM 2741 CB LEU B 466 -12.854 -2.446 5.192 1.00 0.56 C ATOM 2742 CG LEU B 466 -12.464 -1.806 3.858 1.00 0.54 C ATOM 2743 CD1 LEU B 466 -12.022 -0.360 4.098 1.00 0.62 C ATOM 2744 CD2 LEU B 466 -11.310 -2.592 3.233 1.00 0.52 C ATOM 0 H LEU B 466 -14.984 -2.735 4.161 1.00 0.56 H new ATOM 0 HA LEU B 466 -12.671 -4.444 4.327 1.00 0.59 H new ATOM 0 HB2 LEU B 466 -13.628 -1.853 5.679 1.00 0.56 H new ATOM 0 HB3 LEU B 466 -11.996 -2.463 5.864 1.00 0.56 H new ATOM 0 HG LEU B 466 -13.321 -1.819 3.184 1.00 0.54 H new ATOM 0 HD11 LEU B 466 -11.744 0.098 3.149 1.00 0.62 H new ATOM 0 HD12 LEU B 466 -12.842 0.202 4.545 1.00 0.62 H new ATOM 0 HD13 LEU B 466 -11.165 -0.349 4.771 1.00 0.62 H new ATOM 0 HD21 LEU B 466 -11.032 -2.136 2.283 1.00 0.52 H new ATOM 0 HD22 LEU B 466 -10.453 -2.578 3.907 1.00 0.52 H new ATOM 0 HD23 LEU B 466 -11.621 -3.623 3.064 1.00 0.52 H new ATOM 2756 N GLY B 467 -14.636 -4.526 6.904 1.00 0.77 N ATOM 2757 CA GLY B 467 -14.832 -5.240 8.199 1.00 0.97 C ATOM 2758 C GLY B 467 -15.079 -6.725 7.931 1.00 1.08 C ATOM 2759 O GLY B 467 -14.637 -7.582 8.672 1.00 1.38 O ATOM 0 H GLY B 467 -15.437 -3.984 6.581 1.00 0.77 H new ATOM 0 HA2 GLY B 467 -13.953 -5.115 8.832 1.00 0.97 H new ATOM 0 HA3 GLY B 467 -15.677 -4.812 8.738 1.00 0.97 H new