USER MOD reduce.3.24.130724 H: found=0, std=0, add=1054, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1050 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 404 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 408 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.009) USER MOD Single : A 416 SER OG : rot 180:sc= 0 USER MOD Single : A 418 HIS : no HD1:sc= -4.77! C(o=-4.8!,f=-8.4!) USER MOD Single : A 419 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 420 ASN : amide:sc= -1.39 K(o=-1.4,f=-5.4!) USER MOD Single : A 423 SER OG : rot 180:sc= 0 USER MOD Single : A 426 GLN : amide:sc= -0.928 K(o=-0.93,f=-6.1!) USER MOD Single : A 432 THR OG1 : rot 87:sc= 0.0659 USER MOD Single : A 435 THR OG1 : rot 91:sc= 1.23 USER MOD Single : A 436 THR OG1 : rot 126:sc= 0.989 USER MOD Single : A 440 HIS :FLIP no HD1:sc= -1.94! C(o=-3.7!,f=-1.9!) USER MOD Single : A 441 THR OG1 : rot 71:sc= 0.348 USER MOD Single : A 442 GLN : amide:sc= -0.22 X(o=-0.22,f=0) USER MOD Single : A 444 HIS : no HE2:sc= -1.39! C(o=-1.4!,f=-3.4!) USER MOD Single : A 445 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 446 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.025) USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 460 THR OG1 : rot 97:sc= 0.388 USER MOD Single : A 462 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 464 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0177) USER MOD Single : B 404 THR OG1 : rot 180:sc= 0.129 USER MOD Single : B 408 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.014) USER MOD Single : B 416 SER OG : rot 180:sc= 0 USER MOD Single : B 418 HIS : no HD1:sc= -4.71! C(o=-4.7!,f=-8.5!) USER MOD Single : B 419 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 420 ASN : amide:sc= -1.4 K(o=-1.4,f=-5.4!) USER MOD Single : B 423 SER OG : rot 180:sc= 0 USER MOD Single : B 426 GLN : amide:sc= -0.9 K(o=-0.9,f=-6.4!) USER MOD Single : B 432 THR OG1 : rot 91:sc= 0.0653 USER MOD Single : B 435 THR OG1 : rot 106:sc= 1.22 USER MOD Single : B 436 THR OG1 : rot 124:sc= 1.09 USER MOD Single : B 440 HIS :FLIP no HD1:sc= -1.93! C(o=-3.7!,f=-1.9!) USER MOD Single : B 441 THR OG1 : rot 72:sc= 0.342 USER MOD Single : B 442 GLN : amide:sc= -0.248 X(o=-0.25,f=0) USER MOD Single : B 444 HIS : no HE2:sc= -1.26! C(o=-1.3!,f=-3.6!) USER MOD Single : B 445 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 446 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.026) USER MOD Single : B 458 THR OG1 : rot 180:sc= 0 USER MOD Single : B 460 THR OG1 : rot 97:sc= 0.393 USER MOD Single : B 462 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 464 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0209) USER MOD ----------------------------------------------------------------- ATOM 325 N TRP A 402 6.447 2.489 1.485 1.00 0.95 N ATOM 326 CA TRP A 402 5.091 2.700 0.894 1.00 0.86 C ATOM 327 C TRP A 402 4.208 3.585 1.778 1.00 0.79 C ATOM 328 O TRP A 402 3.890 4.695 1.416 1.00 0.71 O ATOM 329 CB TRP A 402 4.491 1.302 0.781 1.00 0.96 C ATOM 330 CG TRP A 402 3.843 1.166 -0.554 1.00 0.84 C ATOM 331 CD1 TRP A 402 4.496 0.865 -1.698 1.00 0.94 C ATOM 332 CD2 TRP A 402 2.442 1.333 -0.906 1.00 0.76 C ATOM 333 NE1 TRP A 402 3.584 0.833 -2.739 1.00 1.00 N ATOM 334 CE2 TRP A 402 2.303 1.115 -2.305 1.00 0.83 C ATOM 335 CE3 TRP A 402 1.280 1.650 -0.154 1.00 0.78 C ATOM 336 CZ2 TRP A 402 1.052 1.208 -2.942 1.00 0.83 C ATOM 337 CZ3 TRP A 402 0.019 1.745 -0.790 1.00 0.72 C ATOM 338 CH2 TRP A 402 -0.093 1.525 -2.183 1.00 0.69 C ATOM 0 HA TRP A 402 5.158 3.212 -0.066 1.00 0.86 H new ATOM 0 HB2 TRP A 402 5.267 0.547 0.903 1.00 0.96 H new ATOM 0 HB3 TRP A 402 3.761 1.139 1.574 1.00 0.96 H new ATOM 0 HD1 TRP A 402 5.556 0.680 -1.786 1.00 0.94 H new ATOM 0 HE1 TRP A 402 3.828 0.627 -3.708 1.00 1.00 H new ATOM 0 HE3 TRP A 402 1.359 1.820 0.910 1.00 0.78 H new ATOM 0 HZ2 TRP A 402 0.969 1.038 -4.005 1.00 0.83 H new ATOM 0 HZ3 TRP A 402 -0.860 1.986 -0.210 1.00 0.72 H new ATOM 0 HH2 TRP A 402 -1.056 1.600 -2.665 1.00 0.69 H new ATOM 349 N ALA A 403 3.801 3.106 2.923 1.00 0.85 N ATOM 350 CA ALA A 403 2.927 3.936 3.813 1.00 0.85 C ATOM 351 C ALA A 403 3.497 5.350 3.960 1.00 0.80 C ATOM 352 O ALA A 403 2.805 6.328 3.764 1.00 0.76 O ATOM 353 CB ALA A 403 2.929 3.212 5.160 1.00 0.99 C ATOM 0 H ALA A 403 4.033 2.180 3.283 1.00 0.85 H new ATOM 0 HA ALA A 403 1.920 4.046 3.410 1.00 0.85 H new ATOM 0 HB1 ALA A 403 2.308 3.760 5.869 1.00 0.99 H new ATOM 0 HB2 ALA A 403 2.531 2.205 5.033 1.00 0.99 H new ATOM 0 HB3 ALA A 403 3.949 3.154 5.540 1.00 0.99 H new ATOM 359 N THR A 404 4.753 5.468 4.288 1.00 0.82 N ATOM 360 CA THR A 404 5.352 6.826 4.424 1.00 0.81 C ATOM 361 C THR A 404 5.177 7.587 3.109 1.00 0.70 C ATOM 362 O THR A 404 4.925 8.777 3.092 1.00 0.68 O ATOM 363 CB THR A 404 6.834 6.585 4.720 1.00 0.89 C ATOM 364 OG1 THR A 404 6.977 5.396 5.485 1.00 1.07 O ATOM 365 CG2 THR A 404 7.398 7.771 5.504 1.00 0.89 C ATOM 0 H THR A 404 5.387 4.690 4.467 1.00 0.82 H new ATOM 0 HA THR A 404 4.883 7.418 5.210 1.00 0.81 H new ATOM 0 HB THR A 404 7.380 6.480 3.782 1.00 0.89 H new ATOM 0 HG1 THR A 404 7.926 5.240 5.673 1.00 1.07 H new ATOM 0 HG21 THR A 404 8.454 7.599 5.715 1.00 0.89 H new ATOM 0 HG22 THR A 404 7.289 8.681 4.915 1.00 0.89 H new ATOM 0 HG23 THR A 404 6.854 7.879 6.442 1.00 0.89 H new ATOM 373 N LEU A 405 5.294 6.899 2.004 1.00 0.67 N ATOM 374 CA LEU A 405 5.124 7.567 0.683 1.00 0.61 C ATOM 375 C LEU A 405 3.642 7.875 0.452 1.00 0.53 C ATOM 376 O LEU A 405 3.293 8.788 -0.268 1.00 0.52 O ATOM 377 CB LEU A 405 5.642 6.541 -0.338 1.00 0.67 C ATOM 378 CG LEU A 405 5.581 7.097 -1.774 1.00 0.65 C ATOM 379 CD1 LEU A 405 4.139 7.063 -2.283 1.00 0.57 C ATOM 380 CD2 LEU A 405 6.103 8.540 -1.813 1.00 0.64 C ATOM 0 H LEU A 405 5.500 5.901 1.961 1.00 0.67 H new ATOM 0 HA LEU A 405 5.659 8.514 0.609 1.00 0.61 H new ATOM 0 HB2 LEU A 405 6.669 6.270 -0.095 1.00 0.67 H new ATOM 0 HB3 LEU A 405 5.048 5.629 -0.274 1.00 0.67 H new ATOM 0 HG LEU A 405 6.209 6.476 -2.413 1.00 0.65 H new ATOM 0 HD11 LEU A 405 4.102 7.457 -3.299 1.00 0.57 H new ATOM 0 HD12 LEU A 405 3.776 6.035 -2.279 1.00 0.57 H new ATOM 0 HD13 LEU A 405 3.510 7.672 -1.634 1.00 0.57 H new ATOM 0 HD21 LEU A 405 6.053 8.918 -2.834 1.00 0.64 H new ATOM 0 HD22 LEU A 405 5.490 9.166 -1.164 1.00 0.64 H new ATOM 0 HD23 LEU A 405 7.137 8.562 -1.468 1.00 0.64 H new ATOM 392 N LEU A 406 2.772 7.117 1.060 1.00 0.53 N ATOM 393 CA LEU A 406 1.313 7.354 0.884 1.00 0.50 C ATOM 394 C LEU A 406 0.860 8.500 1.788 1.00 0.49 C ATOM 395 O LEU A 406 -0.041 9.246 1.459 1.00 0.45 O ATOM 396 CB LEU A 406 0.647 6.038 1.294 1.00 0.58 C ATOM 397 CG LEU A 406 -0.668 5.874 0.529 1.00 0.60 C ATOM 398 CD1 LEU A 406 -0.381 5.810 -0.973 1.00 0.94 C ATOM 399 CD2 LEU A 406 -1.359 4.581 0.967 1.00 1.02 C ATOM 0 H LEU A 406 3.011 6.339 1.675 1.00 0.53 H new ATOM 0 HA LEU A 406 1.053 7.635 -0.137 1.00 0.50 H new ATOM 0 HB2 LEU A 406 1.311 5.200 1.082 1.00 0.58 H new ATOM 0 HB3 LEU A 406 0.459 6.032 2.368 1.00 0.58 H new ATOM 0 HG LEU A 406 -1.317 6.724 0.742 1.00 0.60 H new ATOM 0 HD11 LEU A 406 -1.318 5.693 -1.518 1.00 0.94 H new ATOM 0 HD12 LEU A 406 0.110 6.730 -1.289 1.00 0.94 H new ATOM 0 HD13 LEU A 406 0.269 4.961 -1.183 1.00 0.94 H new ATOM 0 HD21 LEU A 406 -2.295 4.466 0.421 1.00 1.02 H new ATOM 0 HD22 LEU A 406 -0.709 3.732 0.756 1.00 1.02 H new ATOM 0 HD23 LEU A 406 -1.565 4.623 2.036 1.00 1.02 H new ATOM 411 N ALA A 407 1.485 8.650 2.923 1.00 0.56 N ATOM 412 CA ALA A 407 1.097 9.754 3.845 1.00 0.59 C ATOM 413 C ALA A 407 1.547 11.095 3.261 1.00 0.57 C ATOM 414 O ALA A 407 0.853 12.088 3.352 1.00 0.61 O ATOM 415 CB ALA A 407 1.835 9.460 5.152 1.00 0.70 C ATOM 0 H ALA A 407 2.247 8.057 3.252 1.00 0.56 H new ATOM 0 HA ALA A 407 0.019 9.813 3.997 1.00 0.59 H new ATOM 0 HB1 ALA A 407 1.599 10.232 5.884 1.00 0.70 H new ATOM 0 HB2 ALA A 407 1.523 8.489 5.536 1.00 0.70 H new ATOM 0 HB3 ALA A 407 2.909 9.449 4.969 1.00 0.70 H new ATOM 421 N GLN A 408 2.705 11.129 2.659 1.00 0.57 N ATOM 422 CA GLN A 408 3.199 12.404 2.065 1.00 0.57 C ATOM 423 C GLN A 408 2.597 12.604 0.671 1.00 0.50 C ATOM 424 O GLN A 408 2.277 13.707 0.275 1.00 0.50 O ATOM 425 CB GLN A 408 4.715 12.240 1.979 1.00 0.62 C ATOM 426 CG GLN A 408 5.341 12.611 3.324 1.00 0.75 C ATOM 427 CD GLN A 408 5.999 13.986 3.222 1.00 0.78 C ATOM 428 OE1 GLN A 408 5.695 14.877 3.991 1.00 1.29 O ATOM 429 NE2 GLN A 408 6.894 14.201 2.297 1.00 1.46 N ATOM 0 H GLN A 408 3.330 10.330 2.553 1.00 0.57 H new ATOM 0 HA GLN A 408 2.919 13.274 2.659 1.00 0.57 H new ATOM 0 HB2 GLN A 408 4.967 11.212 1.719 1.00 0.62 H new ATOM 0 HB3 GLN A 408 5.117 12.876 1.190 1.00 0.62 H new ATOM 0 HG2 GLN A 408 4.577 12.619 4.102 1.00 0.75 H new ATOM 0 HG3 GLN A 408 6.080 11.863 3.611 1.00 0.75 H new ATOM 0 HE21 GLN A 408 7.150 13.454 1.651 1.00 1.46 H new ATOM 0 HE22 GLN A 408 7.338 15.116 2.220 1.00 1.46 H new ATOM 438 N TRP A 409 2.437 11.544 -0.072 1.00 0.46 N ATOM 439 CA TRP A 409 1.851 11.672 -1.438 1.00 0.43 C ATOM 440 C TRP A 409 0.402 12.162 -1.339 1.00 0.40 C ATOM 441 O TRP A 409 0.015 13.117 -1.982 1.00 0.41 O ATOM 442 CB TRP A 409 1.919 10.256 -2.027 1.00 0.43 C ATOM 443 CG TRP A 409 1.109 10.176 -3.284 1.00 0.42 C ATOM 444 CD1 TRP A 409 1.433 10.761 -4.462 1.00 0.50 C ATOM 445 CD2 TRP A 409 -0.150 9.481 -3.503 1.00 0.40 C ATOM 446 NE1 TRP A 409 0.451 10.469 -5.394 1.00 0.53 N ATOM 447 CE2 TRP A 409 -0.549 9.684 -4.855 1.00 0.47 C ATOM 448 CE3 TRP A 409 -0.986 8.697 -2.666 1.00 0.39 C ATOM 449 CZ2 TRP A 409 -1.737 9.127 -5.364 1.00 0.50 C ATOM 450 CZ3 TRP A 409 -2.183 8.135 -3.172 1.00 0.43 C ATOM 451 CH2 TRP A 409 -2.558 8.350 -4.519 1.00 0.48 C ATOM 0 H TRP A 409 2.686 10.595 0.206 1.00 0.46 H new ATOM 0 HA TRP A 409 2.382 12.391 -2.061 1.00 0.43 H new ATOM 0 HB2 TRP A 409 2.955 9.992 -2.237 1.00 0.43 H new ATOM 0 HB3 TRP A 409 1.547 9.534 -1.300 1.00 0.43 H new ATOM 0 HD1 TRP A 409 2.314 11.358 -4.645 1.00 0.50 H new ATOM 0 HE1 TRP A 409 0.465 10.794 -6.361 1.00 0.53 H new ATOM 0 HE3 TRP A 409 -0.707 8.528 -1.636 1.00 0.39 H new ATOM 0 HZ2 TRP A 409 -2.018 9.293 -6.393 1.00 0.50 H new ATOM 0 HZ3 TRP A 409 -2.812 7.540 -2.527 1.00 0.43 H new ATOM 0 HH2 TRP A 409 -3.472 7.920 -4.901 1.00 0.48 H new ATOM 462 N ALA A 410 -0.401 11.517 -0.541 1.00 0.42 N ATOM 463 CA ALA A 410 -1.821 11.950 -0.410 1.00 0.44 C ATOM 464 C ALA A 410 -1.889 13.433 -0.042 1.00 0.45 C ATOM 465 O ALA A 410 -2.768 14.148 -0.474 1.00 0.47 O ATOM 466 CB ALA A 410 -2.400 11.087 0.711 1.00 0.51 C ATOM 0 H ALA A 410 -0.137 10.711 0.025 1.00 0.42 H new ATOM 0 HA ALA A 410 -2.377 11.830 -1.340 1.00 0.44 H new ATOM 0 HB1 ALA A 410 -3.447 11.348 0.867 1.00 0.51 H new ATOM 0 HB2 ALA A 410 -2.326 10.035 0.436 1.00 0.51 H new ATOM 0 HB3 ALA A 410 -1.841 11.262 1.630 1.00 0.51 H new ATOM 472 N ASP A 411 -0.964 13.897 0.750 1.00 0.48 N ATOM 473 CA ASP A 411 -0.972 15.335 1.144 1.00 0.53 C ATOM 474 C ASP A 411 -0.559 16.209 -0.043 1.00 0.53 C ATOM 475 O ASP A 411 -1.234 17.157 -0.389 1.00 0.58 O ATOM 476 CB ASP A 411 0.056 15.440 2.271 1.00 0.60 C ATOM 477 CG ASP A 411 -0.199 16.714 3.078 1.00 1.03 C ATOM 478 OD1 ASP A 411 -1.321 17.194 3.052 1.00 1.51 O ATOM 479 OD2 ASP A 411 0.731 17.189 3.707 1.00 1.78 O ATOM 0 H ASP A 411 -0.202 13.344 1.142 1.00 0.48 H new ATOM 0 HA ASP A 411 -1.959 15.673 1.459 1.00 0.53 H new ATOM 0 HB2 ASP A 411 -0.010 14.567 2.920 1.00 0.60 H new ATOM 0 HB3 ASP A 411 1.064 15.455 1.857 1.00 0.60 H new ATOM 484 N ARG A 412 0.542 15.896 -0.672 1.00 0.51 N ATOM 485 CA ARG A 412 0.986 16.712 -1.839 1.00 0.56 C ATOM 486 C ARG A 412 -0.086 16.687 -2.928 1.00 0.55 C ATOM 487 O ARG A 412 -0.488 17.710 -3.447 1.00 0.63 O ATOM 488 CB ARG A 412 2.269 16.040 -2.330 1.00 0.58 C ATOM 489 CG ARG A 412 3.480 16.873 -1.901 1.00 0.96 C ATOM 490 CD ARG A 412 4.595 16.729 -2.939 1.00 1.50 C ATOM 491 NE ARG A 412 5.085 18.116 -3.172 1.00 1.90 N ATOM 492 CZ ARG A 412 6.267 18.469 -2.746 1.00 2.41 C ATOM 493 NH1 ARG A 412 6.614 18.231 -1.512 1.00 3.02 N ATOM 494 NH2 ARG A 412 7.102 19.062 -3.556 1.00 2.89 N ATOM 0 H ARG A 412 1.151 15.114 -0.430 1.00 0.51 H new ATOM 0 HA ARG A 412 1.153 17.757 -1.577 1.00 0.56 H new ATOM 0 HB2 ARG A 412 2.344 15.033 -1.920 1.00 0.58 H new ATOM 0 HB3 ARG A 412 2.248 15.942 -3.415 1.00 0.58 H new ATOM 0 HG2 ARG A 412 3.196 17.921 -1.800 1.00 0.96 H new ATOM 0 HG3 ARG A 412 3.834 16.543 -0.924 1.00 0.96 H new ATOM 0 HD2 ARG A 412 5.394 16.084 -2.573 1.00 1.50 H new ATOM 0 HD3 ARG A 412 4.221 16.282 -3.860 1.00 1.50 H new ATOM 0 HE ARG A 412 4.497 18.789 -3.664 1.00 1.90 H new ATOM 0 HH11 ARG A 412 5.962 17.769 -0.879 1.00 3.02 H new ATOM 0 HH12 ARG A 412 7.538 18.507 -1.180 1.00 3.02 H new ATOM 0 HH21 ARG A 412 6.830 19.249 -4.521 1.00 2.89 H new ATOM 0 HH22 ARG A 412 8.026 19.338 -3.224 1.00 2.89 H new ATOM 508 N ALA A 413 -0.558 15.522 -3.267 1.00 0.50 N ATOM 509 CA ALA A 413 -1.613 15.416 -4.315 1.00 0.53 C ATOM 510 C ALA A 413 -2.903 16.077 -3.824 1.00 0.57 C ATOM 511 O ALA A 413 -3.742 16.482 -4.605 1.00 0.66 O ATOM 512 CB ALA A 413 -1.821 13.914 -4.512 1.00 0.53 C ATOM 0 H ALA A 413 -0.259 14.634 -2.863 1.00 0.50 H new ATOM 0 HA ALA A 413 -1.332 15.913 -5.243 1.00 0.53 H new ATOM 0 HB1 ALA A 413 -2.586 13.749 -5.271 1.00 0.53 H new ATOM 0 HB2 ALA A 413 -0.886 13.456 -4.834 1.00 0.53 H new ATOM 0 HB3 ALA A 413 -2.140 13.464 -3.572 1.00 0.53 H new ATOM 518 N LEU A 414 -3.061 16.195 -2.535 1.00 0.54 N ATOM 519 CA LEU A 414 -4.281 16.830 -1.981 1.00 0.61 C ATOM 520 C LEU A 414 -4.137 18.356 -2.045 1.00 0.71 C ATOM 521 O LEU A 414 -5.064 19.063 -2.384 1.00 0.82 O ATOM 522 CB LEU A 414 -4.338 16.301 -0.541 1.00 0.63 C ATOM 523 CG LEU A 414 -5.164 17.209 0.377 1.00 0.71 C ATOM 524 CD1 LEU A 414 -4.283 18.364 0.849 1.00 1.11 C ATOM 525 CD2 LEU A 414 -6.405 17.760 -0.344 1.00 1.04 C ATOM 0 H LEU A 414 -2.389 15.874 -1.838 1.00 0.54 H new ATOM 0 HA LEU A 414 -5.197 16.599 -2.525 1.00 0.61 H new ATOM 0 HB2 LEU A 414 -4.768 15.299 -0.540 1.00 0.63 H new ATOM 0 HB3 LEU A 414 -3.325 16.214 -0.147 1.00 0.63 H new ATOM 0 HG LEU A 414 -5.510 16.623 1.228 1.00 0.71 H new ATOM 0 HD11 LEU A 414 -4.860 19.018 1.503 1.00 1.11 H new ATOM 0 HD12 LEU A 414 -3.426 17.969 1.395 1.00 1.11 H new ATOM 0 HD13 LEU A 414 -3.933 18.931 -0.014 1.00 1.11 H new ATOM 0 HD21 LEU A 414 -6.967 18.400 0.337 1.00 1.04 H new ATOM 0 HD22 LEU A 414 -6.094 18.340 -1.213 1.00 1.04 H new ATOM 0 HD23 LEU A 414 -7.035 16.932 -0.668 1.00 1.04 H new ATOM 537 N ARG A 415 -2.981 18.866 -1.726 1.00 0.73 N ATOM 538 CA ARG A 415 -2.779 20.341 -1.771 1.00 0.86 C ATOM 539 C ARG A 415 -2.408 20.778 -3.192 1.00 0.92 C ATOM 540 O ARG A 415 -1.431 21.467 -3.404 1.00 1.26 O ATOM 541 CB ARG A 415 -1.626 20.611 -0.806 1.00 1.01 C ATOM 542 CG ARG A 415 -1.532 22.111 -0.530 1.00 1.40 C ATOM 543 CD ARG A 415 -0.177 22.428 0.106 1.00 1.61 C ATOM 544 NE ARG A 415 0.821 22.186 -0.973 1.00 2.27 N ATOM 545 CZ ARG A 415 2.037 22.642 -0.851 1.00 2.92 C ATOM 546 NH1 ARG A 415 2.238 23.880 -0.495 1.00 3.32 N ATOM 547 NH2 ARG A 415 3.054 21.857 -1.087 1.00 3.70 N ATOM 0 H ARG A 415 -2.166 18.325 -1.436 1.00 0.73 H new ATOM 0 HA ARG A 415 -3.678 20.892 -1.494 1.00 0.86 H new ATOM 0 HB2 ARG A 415 -1.783 20.068 0.126 1.00 1.01 H new ATOM 0 HB3 ARG A 415 -0.690 20.249 -1.231 1.00 1.01 H new ATOM 0 HG2 ARG A 415 -1.650 22.671 -1.458 1.00 1.40 H new ATOM 0 HG3 ARG A 415 -2.339 22.421 0.134 1.00 1.40 H new ATOM 0 HD2 ARG A 415 -0.137 23.459 0.457 1.00 1.61 H new ATOM 0 HD3 ARG A 415 0.013 21.790 0.969 1.00 1.61 H new ATOM 0 HE ARG A 415 0.554 21.664 -1.807 1.00 2.27 H new ATOM 0 HH11 ARG A 415 1.444 24.493 -0.311 1.00 3.32 H new ATOM 0 HH12 ARG A 415 3.189 24.235 -0.400 1.00 3.32 H new ATOM 0 HH21 ARG A 415 2.897 20.889 -1.366 1.00 3.70 H new ATOM 0 HH22 ARG A 415 4.005 22.212 -0.992 1.00 3.70 H new ATOM 561 N SER A 416 -3.182 20.383 -4.166 1.00 0.90 N ATOM 562 CA SER A 416 -2.873 20.776 -5.572 1.00 0.99 C ATOM 563 C SER A 416 -4.021 20.369 -6.499 1.00 0.99 C ATOM 564 O SER A 416 -4.680 21.201 -7.091 1.00 1.63 O ATOM 565 CB SER A 416 -1.601 20.009 -5.926 1.00 1.20 C ATOM 566 OG SER A 416 -0.674 20.896 -6.539 1.00 1.69 O ATOM 0 H SER A 416 -4.015 19.805 -4.050 1.00 0.90 H new ATOM 0 HA SER A 416 -2.744 21.853 -5.681 1.00 0.99 H new ATOM 0 HB2 SER A 416 -1.164 19.572 -5.028 1.00 1.20 H new ATOM 0 HB3 SER A 416 -1.835 19.185 -6.601 1.00 1.20 H new ATOM 0 HG SER A 416 0.145 20.408 -6.766 1.00 1.69 H new ATOM 572 N GLY A 417 -4.264 19.093 -6.631 1.00 1.06 N ATOM 573 CA GLY A 417 -5.368 18.635 -7.521 1.00 1.06 C ATOM 574 C GLY A 417 -5.523 17.118 -7.399 1.00 0.99 C ATOM 575 O GLY A 417 -5.345 16.387 -8.353 1.00 1.31 O ATOM 0 H GLY A 417 -3.747 18.350 -6.162 1.00 1.06 H new ATOM 0 HA2 GLY A 417 -6.300 19.130 -7.247 1.00 1.06 H new ATOM 0 HA3 GLY A 417 -5.154 18.908 -8.554 1.00 1.06 H new ATOM 579 N HIS A 418 -5.855 16.639 -6.232 1.00 0.78 N ATOM 580 CA HIS A 418 -6.021 15.168 -6.051 1.00 0.87 C ATOM 581 C HIS A 418 -7.191 14.658 -6.895 1.00 0.89 C ATOM 582 O HIS A 418 -8.036 15.415 -7.330 1.00 1.17 O ATOM 583 CB HIS A 418 -6.312 14.978 -4.562 1.00 1.01 C ATOM 584 CG HIS A 418 -7.498 15.814 -4.165 1.00 1.68 C ATOM 585 ND1 HIS A 418 -7.358 17.087 -3.635 1.00 2.18 N ATOM 586 CD2 HIS A 418 -8.848 15.573 -4.214 1.00 2.31 C ATOM 587 CE1 HIS A 418 -8.594 17.560 -3.387 1.00 2.86 C ATOM 588 NE2 HIS A 418 -9.539 16.677 -3.722 1.00 2.97 N ATOM 0 H HIS A 418 -6.018 17.201 -5.397 1.00 0.78 H new ATOM 0 HA HIS A 418 -5.137 14.614 -6.366 1.00 0.87 H new ATOM 0 HB2 HIS A 418 -6.509 13.927 -4.352 1.00 1.01 H new ATOM 0 HB3 HIS A 418 -5.441 15.263 -3.972 1.00 1.01 H new ATOM 0 HD2 HIS A 418 -9.305 14.665 -4.579 1.00 2.31 H new ATOM 0 HE1 HIS A 418 -8.797 18.535 -2.968 1.00 2.86 H new ATOM 0 HE2 HIS A 418 -10.549 16.788 -3.636 1.00 2.97 H new ATOM 596 N GLN A 419 -7.244 13.376 -7.126 1.00 1.08 N ATOM 597 CA GLN A 419 -8.353 12.805 -7.937 1.00 1.25 C ATOM 598 C GLN A 419 -8.459 11.301 -7.673 1.00 1.03 C ATOM 599 O GLN A 419 -9.336 10.844 -6.967 1.00 1.28 O ATOM 600 CB GLN A 419 -7.960 13.071 -9.390 1.00 1.71 C ATOM 601 CG GLN A 419 -8.992 13.996 -10.040 1.00 2.33 C ATOM 602 CD GLN A 419 -8.670 14.157 -11.526 1.00 2.91 C ATOM 603 OE1 GLN A 419 -9.222 13.466 -12.358 1.00 3.29 O ATOM 604 NE2 GLN A 419 -7.792 15.050 -11.898 1.00 3.52 N ATOM 0 H GLN A 419 -6.563 12.697 -6.786 1.00 1.08 H new ATOM 0 HA GLN A 419 -9.320 13.245 -7.695 1.00 1.25 H new ATOM 0 HB2 GLN A 419 -6.971 13.527 -9.432 1.00 1.71 H new ATOM 0 HB3 GLN A 419 -7.902 12.131 -9.939 1.00 1.71 H new ATOM 0 HG2 GLN A 419 -9.994 13.584 -9.917 1.00 2.33 H new ATOM 0 HG3 GLN A 419 -8.985 14.969 -9.548 1.00 2.33 H new ATOM 0 HE21 GLN A 419 -7.328 15.631 -11.200 1.00 3.52 H new ATOM 0 HE22 GLN A 419 -7.571 15.166 -12.887 1.00 3.52 H new ATOM 613 N ASN A 420 -7.566 10.532 -8.230 1.00 0.78 N ATOM 614 CA ASN A 420 -7.603 9.061 -8.006 1.00 0.70 C ATOM 615 C ASN A 420 -6.762 8.701 -6.779 1.00 0.58 C ATOM 616 O ASN A 420 -5.956 7.793 -6.811 1.00 0.71 O ATOM 617 CB ASN A 420 -6.997 8.453 -9.272 1.00 0.86 C ATOM 618 CG ASN A 420 -8.118 8.019 -10.217 1.00 1.35 C ATOM 619 OD1 ASN A 420 -9.210 7.712 -9.781 1.00 1.96 O ATOM 620 ND2 ASN A 420 -7.894 7.981 -11.502 1.00 1.88 N ATOM 0 H ASN A 420 -6.811 10.860 -8.832 1.00 0.78 H new ATOM 0 HA ASN A 420 -8.612 8.691 -7.823 1.00 0.70 H new ATOM 0 HB2 ASN A 420 -6.353 9.181 -9.765 1.00 0.86 H new ATOM 0 HB3 ASN A 420 -6.373 7.598 -9.014 1.00 0.86 H new ATOM 0 HD21 ASN A 420 -8.636 7.694 -12.141 1.00 1.88 H new ATOM 0 HD22 ASN A 420 -6.977 8.239 -11.868 1.00 1.88 H new ATOM 627 N LEU A 421 -6.940 9.412 -5.696 1.00 0.45 N ATOM 628 CA LEU A 421 -6.147 9.116 -4.468 1.00 0.40 C ATOM 629 C LEU A 421 -6.241 7.629 -4.114 1.00 0.39 C ATOM 630 O LEU A 421 -5.255 6.919 -4.108 1.00 0.53 O ATOM 631 CB LEU A 421 -6.785 9.968 -3.371 1.00 0.42 C ATOM 632 CG LEU A 421 -5.943 11.224 -3.144 1.00 0.39 C ATOM 633 CD1 LEU A 421 -6.784 12.281 -2.425 1.00 0.50 C ATOM 634 CD2 LEU A 421 -4.727 10.873 -2.285 1.00 0.41 C ATOM 0 H LEU A 421 -7.600 10.185 -5.610 1.00 0.45 H new ATOM 0 HA LEU A 421 -5.089 9.341 -4.599 1.00 0.40 H new ATOM 0 HB2 LEU A 421 -7.800 10.245 -3.655 1.00 0.42 H new ATOM 0 HB3 LEU A 421 -6.858 9.395 -2.447 1.00 0.42 H new ATOM 0 HG LEU A 421 -5.611 11.616 -4.105 1.00 0.39 H new ATOM 0 HD11 LEU A 421 -6.183 13.176 -2.264 1.00 0.50 H new ATOM 0 HD12 LEU A 421 -7.652 12.532 -3.035 1.00 0.50 H new ATOM 0 HD13 LEU A 421 -7.117 11.889 -1.464 1.00 0.50 H new ATOM 0 HD21 LEU A 421 -4.126 11.768 -2.122 1.00 0.41 H new ATOM 0 HD22 LEU A 421 -5.061 10.481 -1.324 1.00 0.41 H new ATOM 0 HD23 LEU A 421 -4.126 10.120 -2.795 1.00 0.41 H new ATOM 646 N LEU A 422 -7.418 7.157 -3.813 1.00 0.33 N ATOM 647 CA LEU A 422 -7.575 5.719 -3.454 1.00 0.34 C ATOM 648 C LEU A 422 -7.570 4.849 -4.713 1.00 0.35 C ATOM 649 O LEU A 422 -7.192 3.695 -4.679 1.00 0.37 O ATOM 650 CB LEU A 422 -8.929 5.635 -2.750 1.00 0.37 C ATOM 651 CG LEU A 422 -8.731 5.808 -1.245 1.00 0.38 C ATOM 652 CD1 LEU A 422 -10.076 6.113 -0.583 1.00 0.58 C ATOM 653 CD2 LEU A 422 -8.155 4.517 -0.657 1.00 0.63 C ATOM 0 H LEU A 422 -8.279 7.704 -3.800 1.00 0.33 H new ATOM 0 HA LEU A 422 -6.761 5.362 -2.823 1.00 0.34 H new ATOM 0 HB2 LEU A 422 -9.598 6.407 -3.131 1.00 0.37 H new ATOM 0 HB3 LEU A 422 -9.400 4.674 -2.958 1.00 0.37 H new ATOM 0 HG LEU A 422 -8.042 6.633 -1.062 1.00 0.38 H new ATOM 0 HD11 LEU A 422 -9.933 6.236 0.491 1.00 0.58 H new ATOM 0 HD12 LEU A 422 -10.488 7.031 -1.002 1.00 0.58 H new ATOM 0 HD13 LEU A 422 -10.766 5.289 -0.765 1.00 0.58 H new ATOM 0 HD21 LEU A 422 -8.013 4.638 0.417 1.00 0.63 H new ATOM 0 HD22 LEU A 422 -8.845 3.694 -0.841 1.00 0.63 H new ATOM 0 HD23 LEU A 422 -7.196 4.299 -1.128 1.00 0.63 H new ATOM 665 N SER A 423 -7.991 5.391 -5.821 1.00 0.35 N ATOM 666 CA SER A 423 -8.019 4.591 -7.081 1.00 0.38 C ATOM 667 C SER A 423 -6.597 4.327 -7.591 1.00 0.36 C ATOM 668 O SER A 423 -6.380 3.478 -8.432 1.00 0.40 O ATOM 669 CB SER A 423 -8.788 5.455 -8.079 1.00 0.44 C ATOM 670 OG SER A 423 -10.184 5.259 -7.890 1.00 1.23 O ATOM 0 H SER A 423 -8.317 6.353 -5.911 1.00 0.35 H new ATOM 0 HA SER A 423 -8.483 3.616 -6.932 1.00 0.38 H new ATOM 0 HB2 SER A 423 -8.534 6.506 -7.940 1.00 0.44 H new ATOM 0 HB3 SER A 423 -8.507 5.192 -9.099 1.00 0.44 H new ATOM 0 HG SER A 423 -10.681 5.813 -8.527 1.00 1.23 H new ATOM 676 N GLU A 424 -5.626 5.048 -7.096 1.00 0.34 N ATOM 677 CA GLU A 424 -4.227 4.830 -7.569 1.00 0.36 C ATOM 678 C GLU A 424 -3.551 3.727 -6.749 1.00 0.32 C ATOM 679 O GLU A 424 -2.962 2.812 -7.291 1.00 0.33 O ATOM 680 CB GLU A 424 -3.524 6.171 -7.355 1.00 0.38 C ATOM 681 CG GLU A 424 -3.516 6.957 -8.668 1.00 0.58 C ATOM 682 CD GLU A 424 -3.002 8.376 -8.416 1.00 0.81 C ATOM 683 OE1 GLU A 424 -3.814 9.234 -8.114 1.00 1.54 O ATOM 684 OE2 GLU A 424 -1.804 8.580 -8.530 1.00 1.22 O ATOM 0 H GLU A 424 -5.739 5.774 -6.389 1.00 0.34 H new ATOM 0 HA GLU A 424 -4.189 4.512 -8.611 1.00 0.36 H new ATOM 0 HB2 GLU A 424 -4.035 6.742 -6.580 1.00 0.38 H new ATOM 0 HB3 GLU A 424 -2.503 6.008 -7.010 1.00 0.38 H new ATOM 0 HG2 GLU A 424 -2.883 6.455 -9.400 1.00 0.58 H new ATOM 0 HG3 GLU A 424 -4.521 6.993 -9.088 1.00 0.58 H new ATOM 691 N ALA A 425 -3.624 3.805 -5.449 1.00 0.31 N ATOM 692 CA ALA A 425 -2.981 2.759 -4.602 1.00 0.29 C ATOM 693 C ALA A 425 -3.892 1.532 -4.478 1.00 0.28 C ATOM 694 O ALA A 425 -3.462 0.466 -4.086 1.00 0.28 O ATOM 695 CB ALA A 425 -2.789 3.420 -3.238 1.00 0.29 C ATOM 0 H ALA A 425 -4.100 4.547 -4.936 1.00 0.31 H new ATOM 0 HA ALA A 425 -2.040 2.410 -5.027 1.00 0.29 H new ATOM 0 HB1 ALA A 425 -2.319 2.713 -2.554 1.00 0.29 H new ATOM 0 HB2 ALA A 425 -2.153 4.298 -3.346 1.00 0.29 H new ATOM 0 HB3 ALA A 425 -3.758 3.721 -2.840 1.00 0.29 H new ATOM 701 N GLN A 426 -5.148 1.674 -4.805 1.00 0.30 N ATOM 702 CA GLN A 426 -6.084 0.518 -4.699 1.00 0.31 C ATOM 703 C GLN A 426 -5.536 -0.704 -5.452 1.00 0.30 C ATOM 704 O GLN A 426 -5.382 -1.761 -4.872 1.00 0.30 O ATOM 705 CB GLN A 426 -7.384 1.000 -5.344 1.00 0.36 C ATOM 706 CG GLN A 426 -8.417 1.291 -4.253 1.00 0.45 C ATOM 707 CD GLN A 426 -9.685 1.864 -4.888 1.00 0.54 C ATOM 708 OE1 GLN A 426 -9.810 3.062 -5.049 1.00 1.23 O ATOM 709 NE2 GLN A 426 -10.639 1.053 -5.256 1.00 1.09 N ATOM 0 H GLN A 426 -5.567 2.541 -5.141 1.00 0.30 H new ATOM 0 HA GLN A 426 -6.225 0.207 -3.664 1.00 0.31 H new ATOM 0 HB2 GLN A 426 -7.199 1.898 -5.933 1.00 0.36 H new ATOM 0 HB3 GLN A 426 -7.766 0.242 -6.028 1.00 0.36 H new ATOM 0 HG2 GLN A 426 -8.652 0.377 -3.707 1.00 0.45 H new ATOM 0 HG3 GLN A 426 -8.009 1.997 -3.530 1.00 0.45 H new ATOM 0 HE21 GLN A 426 -10.534 0.047 -5.121 1.00 1.09 H new ATOM 0 HE22 GLN A 426 -11.490 1.425 -5.679 1.00 1.09 H new ATOM 718 N PRO A 427 -5.268 -0.529 -6.724 1.00 0.32 N ATOM 719 CA PRO A 427 -4.747 -1.651 -7.545 1.00 0.34 C ATOM 720 C PRO A 427 -3.311 -1.993 -7.145 1.00 0.31 C ATOM 721 O PRO A 427 -2.860 -3.108 -7.316 1.00 0.35 O ATOM 722 CB PRO A 427 -4.809 -1.114 -8.973 1.00 0.39 C ATOM 723 CG PRO A 427 -4.760 0.371 -8.828 1.00 0.38 C ATOM 724 CD PRO A 427 -5.415 0.704 -7.513 1.00 0.35 C ATOM 0 HA PRO A 427 -5.317 -2.571 -7.419 1.00 0.34 H new ATOM 0 HB2 PRO A 427 -3.973 -1.480 -9.569 1.00 0.39 H new ATOM 0 HB3 PRO A 427 -5.723 -1.432 -9.475 1.00 0.39 H new ATOM 0 HG2 PRO A 427 -3.730 0.727 -8.847 1.00 0.38 H new ATOM 0 HG3 PRO A 427 -5.281 0.857 -9.653 1.00 0.38 H new ATOM 0 HD2 PRO A 427 -4.929 1.550 -7.027 1.00 0.35 H new ATOM 0 HD3 PRO A 427 -6.463 0.972 -7.645 1.00 0.35 H new ATOM 732 N GLU A 428 -2.590 -1.049 -6.610 1.00 0.29 N ATOM 733 CA GLU A 428 -1.187 -1.334 -6.197 1.00 0.29 C ATOM 734 C GLU A 428 -1.171 -2.429 -5.129 1.00 0.27 C ATOM 735 O GLU A 428 -0.404 -3.369 -5.200 1.00 0.32 O ATOM 736 CB GLU A 428 -0.662 -0.017 -5.628 1.00 0.29 C ATOM 737 CG GLU A 428 0.607 0.394 -6.378 1.00 0.71 C ATOM 738 CD GLU A 428 0.478 1.847 -6.842 1.00 1.37 C ATOM 739 OE1 GLU A 428 -0.067 2.641 -6.092 1.00 2.12 O ATOM 740 OE2 GLU A 428 0.926 2.141 -7.937 1.00 2.07 O ATOM 0 H GLU A 428 -2.909 -0.095 -6.441 1.00 0.29 H new ATOM 0 HA GLU A 428 -0.573 -1.687 -7.026 1.00 0.29 H new ATOM 0 HB2 GLU A 428 -1.421 0.760 -5.722 1.00 0.29 H new ATOM 0 HB3 GLU A 428 -0.449 -0.127 -4.565 1.00 0.29 H new ATOM 0 HG2 GLU A 428 1.477 0.284 -5.730 1.00 0.71 H new ATOM 0 HG3 GLU A 428 0.763 -0.260 -7.236 1.00 0.71 H new ATOM 747 N LEU A 429 -2.018 -2.321 -4.141 1.00 0.26 N ATOM 748 CA LEU A 429 -2.056 -3.361 -3.072 1.00 0.26 C ATOM 749 C LEU A 429 -2.660 -4.654 -3.627 1.00 0.25 C ATOM 750 O LEU A 429 -2.141 -5.733 -3.419 1.00 0.28 O ATOM 751 CB LEU A 429 -2.951 -2.771 -1.978 1.00 0.26 C ATOM 752 CG LEU A 429 -3.190 -3.814 -0.882 1.00 0.29 C ATOM 753 CD1 LEU A 429 -2.428 -3.415 0.384 1.00 0.45 C ATOM 754 CD2 LEU A 429 -4.685 -3.888 -0.567 1.00 0.56 C ATOM 0 H LEU A 429 -2.685 -1.558 -4.028 1.00 0.26 H new ATOM 0 HA LEU A 429 -1.065 -3.608 -2.693 1.00 0.26 H new ATOM 0 HB2 LEU A 429 -2.483 -1.884 -1.552 1.00 0.26 H new ATOM 0 HB3 LEU A 429 -3.903 -2.455 -2.405 1.00 0.26 H new ATOM 0 HG LEU A 429 -2.838 -4.786 -1.228 1.00 0.29 H new ATOM 0 HD11 LEU A 429 -2.600 -4.159 1.162 1.00 0.45 H new ATOM 0 HD12 LEU A 429 -1.362 -3.359 0.165 1.00 0.45 H new ATOM 0 HD13 LEU A 429 -2.779 -2.442 0.728 1.00 0.45 H new ATOM 0 HD21 LEU A 429 -4.856 -4.630 0.213 1.00 0.56 H new ATOM 0 HD22 LEU A 429 -5.033 -2.914 -0.224 1.00 0.56 H new ATOM 0 HD23 LEU A 429 -5.232 -4.173 -1.465 1.00 0.56 H new ATOM 766 N GLU A 430 -3.750 -4.553 -4.336 1.00 0.27 N ATOM 767 CA GLU A 430 -4.386 -5.775 -4.905 1.00 0.28 C ATOM 768 C GLU A 430 -3.397 -6.513 -5.812 1.00 0.30 C ATOM 769 O GLU A 430 -3.376 -7.726 -5.865 1.00 0.33 O ATOM 770 CB GLU A 430 -5.576 -5.261 -5.718 1.00 0.30 C ATOM 771 CG GLU A 430 -6.821 -6.083 -5.379 1.00 0.61 C ATOM 772 CD GLU A 430 -7.676 -5.322 -4.365 1.00 1.45 C ATOM 773 OE1 GLU A 430 -7.104 -4.660 -3.515 1.00 2.18 O ATOM 774 OE2 GLU A 430 -8.889 -5.414 -4.455 1.00 2.05 O ATOM 0 H GLU A 430 -4.228 -3.677 -4.546 1.00 0.27 H new ATOM 0 HA GLU A 430 -4.694 -6.478 -4.131 1.00 0.28 H new ATOM 0 HB2 GLU A 430 -5.752 -4.208 -5.498 1.00 0.30 H new ATOM 0 HB3 GLU A 430 -5.360 -5.332 -6.784 1.00 0.30 H new ATOM 0 HG2 GLU A 430 -7.398 -6.278 -6.283 1.00 0.61 H new ATOM 0 HG3 GLU A 430 -6.530 -7.051 -4.971 1.00 0.61 H new ATOM 781 N ARG A 431 -2.578 -5.790 -6.526 1.00 0.33 N ATOM 782 CA ARG A 431 -1.593 -6.450 -7.430 1.00 0.37 C ATOM 783 C ARG A 431 -0.526 -7.185 -6.613 1.00 0.36 C ATOM 784 O ARG A 431 -0.362 -8.384 -6.726 1.00 0.38 O ATOM 785 CB ARG A 431 -0.962 -5.308 -8.228 1.00 0.41 C ATOM 786 CG ARG A 431 -0.350 -5.862 -9.516 1.00 0.59 C ATOM 787 CD ARG A 431 -0.002 -4.706 -10.455 1.00 1.32 C ATOM 788 NE ARG A 431 1.484 -4.721 -10.548 1.00 1.56 N ATOM 789 CZ ARG A 431 2.074 -4.286 -11.629 1.00 2.19 C ATOM 790 NH1 ARG A 431 1.626 -3.222 -12.234 1.00 2.78 N ATOM 791 NH2 ARG A 431 3.114 -4.917 -12.102 1.00 2.87 N ATOM 0 H ARG A 431 -2.548 -4.770 -6.523 1.00 0.33 H new ATOM 0 HA ARG A 431 -2.062 -7.192 -8.076 1.00 0.37 H new ATOM 0 HB2 ARG A 431 -1.715 -4.556 -8.465 1.00 0.41 H new ATOM 0 HB3 ARG A 431 -0.195 -4.814 -7.632 1.00 0.41 H new ATOM 0 HG2 ARG A 431 0.545 -6.440 -9.286 1.00 0.59 H new ATOM 0 HG3 ARG A 431 -1.051 -6.540 -10.002 1.00 0.59 H new ATOM 0 HD2 ARG A 431 -0.460 -4.841 -11.435 1.00 1.32 H new ATOM 0 HD3 ARG A 431 -0.364 -3.756 -10.062 1.00 1.32 H new ATOM 0 HE ARG A 431 2.041 -5.071 -9.768 1.00 1.56 H new ATOM 0 HH11 ARG A 431 0.814 -2.728 -11.863 1.00 2.78 H new ATOM 0 HH12 ARG A 431 2.087 -2.883 -13.078 1.00 2.78 H new ATOM 0 HH21 ARG A 431 3.465 -5.749 -11.628 1.00 2.87 H new ATOM 0 HH22 ARG A 431 3.576 -4.578 -12.946 1.00 2.87 H new ATOM 805 N THR A 432 0.201 -6.476 -5.794 1.00 0.41 N ATOM 806 CA THR A 432 1.259 -7.135 -4.973 1.00 0.45 C ATOM 807 C THR A 432 0.674 -8.322 -4.202 1.00 0.40 C ATOM 808 O THR A 432 1.372 -9.256 -3.861 1.00 0.56 O ATOM 809 CB THR A 432 1.740 -6.053 -4.006 1.00 0.53 C ATOM 810 OG1 THR A 432 2.320 -4.985 -4.742 1.00 0.61 O ATOM 811 CG2 THR A 432 2.780 -6.644 -3.054 1.00 0.62 C ATOM 0 H THR A 432 0.109 -5.469 -5.657 1.00 0.41 H new ATOM 0 HA THR A 432 2.071 -7.526 -5.586 1.00 0.45 H new ATOM 0 HB THR A 432 0.894 -5.679 -3.429 1.00 0.53 H new ATOM 0 HG1 THR A 432 1.620 -4.353 -5.008 1.00 0.61 H new ATOM 0 HG21 THR A 432 3.123 -5.872 -2.365 1.00 0.62 H new ATOM 0 HG22 THR A 432 2.333 -7.462 -2.489 1.00 0.62 H new ATOM 0 HG23 THR A 432 3.627 -7.020 -3.628 1.00 0.62 H new ATOM 819 N LEU A 433 -0.601 -8.293 -3.925 1.00 0.33 N ATOM 820 CA LEU A 433 -1.224 -9.421 -3.175 1.00 0.30 C ATOM 821 C LEU A 433 -1.621 -10.544 -4.136 1.00 0.27 C ATOM 822 O LEU A 433 -1.164 -11.664 -4.019 1.00 0.25 O ATOM 823 CB LEU A 433 -2.464 -8.819 -2.512 1.00 0.37 C ATOM 824 CG LEU A 433 -2.497 -9.215 -1.034 1.00 0.42 C ATOM 825 CD1 LEU A 433 -2.523 -10.739 -0.911 1.00 0.41 C ATOM 826 CD2 LEU A 433 -1.250 -8.669 -0.334 1.00 0.44 C ATOM 0 H LEU A 433 -1.237 -7.539 -4.185 1.00 0.33 H new ATOM 0 HA LEU A 433 -0.542 -9.857 -2.445 1.00 0.30 H new ATOM 0 HB2 LEU A 433 -2.450 -7.733 -2.608 1.00 0.37 H new ATOM 0 HB3 LEU A 433 -3.365 -9.172 -3.014 1.00 0.37 H new ATOM 0 HG LEU A 433 -3.390 -8.799 -0.567 1.00 0.42 H new ATOM 0 HD11 LEU A 433 -2.546 -11.019 0.142 1.00 0.41 H new ATOM 0 HD12 LEU A 433 -3.410 -11.129 -1.410 1.00 0.41 H new ATOM 0 HD13 LEU A 433 -1.631 -11.157 -1.378 1.00 0.41 H new ATOM 0 HD21 LEU A 433 -1.271 -8.950 0.719 1.00 0.44 H new ATOM 0 HD22 LEU A 433 -0.358 -9.085 -0.802 1.00 0.44 H new ATOM 0 HD23 LEU A 433 -1.231 -7.583 -0.419 1.00 0.44 H new ATOM 838 N LEU A 434 -2.469 -10.255 -5.085 1.00 0.32 N ATOM 839 CA LEU A 434 -2.896 -11.307 -6.052 1.00 0.32 C ATOM 840 C LEU A 434 -1.672 -11.981 -6.680 1.00 0.29 C ATOM 841 O LEU A 434 -1.636 -13.183 -6.857 1.00 0.30 O ATOM 842 CB LEU A 434 -3.701 -10.562 -7.118 1.00 0.41 C ATOM 843 CG LEU A 434 -4.897 -11.415 -7.544 1.00 0.65 C ATOM 844 CD1 LEU A 434 -6.172 -10.572 -7.484 1.00 0.84 C ATOM 845 CD2 LEU A 434 -4.682 -11.914 -8.974 1.00 1.14 C ATOM 0 H LEU A 434 -2.885 -9.336 -5.233 1.00 0.32 H new ATOM 0 HA LEU A 434 -3.480 -12.093 -5.573 1.00 0.32 H new ATOM 0 HB2 LEU A 434 -4.045 -9.605 -6.726 1.00 0.41 H new ATOM 0 HB3 LEU A 434 -3.070 -10.345 -7.980 1.00 0.41 H new ATOM 0 HG LEU A 434 -4.994 -12.268 -6.872 1.00 0.65 H new ATOM 0 HD11 LEU A 434 -7.025 -11.180 -7.788 1.00 0.84 H new ATOM 0 HD12 LEU A 434 -6.325 -10.215 -6.465 1.00 0.84 H new ATOM 0 HD13 LEU A 434 -6.076 -9.719 -8.156 1.00 0.84 H new ATOM 0 HD21 LEU A 434 -5.534 -12.522 -9.279 1.00 1.14 H new ATOM 0 HD22 LEU A 434 -4.586 -11.061 -9.646 1.00 1.14 H new ATOM 0 HD23 LEU A 434 -3.773 -12.515 -9.017 1.00 1.14 H new ATOM 857 N THR A 435 -0.669 -11.218 -7.018 1.00 0.34 N ATOM 858 CA THR A 435 0.550 -11.817 -7.636 1.00 0.37 C ATOM 859 C THR A 435 1.253 -12.738 -6.635 1.00 0.35 C ATOM 860 O THR A 435 1.616 -13.852 -6.952 1.00 0.39 O ATOM 861 CB THR A 435 1.442 -10.626 -7.990 1.00 0.45 C ATOM 862 OG1 THR A 435 0.690 -9.679 -8.735 1.00 0.52 O ATOM 863 CG2 THR A 435 2.630 -11.107 -8.823 1.00 0.55 C ATOM 0 H THR A 435 -0.640 -10.206 -6.893 1.00 0.34 H new ATOM 0 HA THR A 435 0.314 -12.422 -8.511 1.00 0.37 H new ATOM 0 HB THR A 435 1.808 -10.160 -7.075 1.00 0.45 H new ATOM 0 HG1 THR A 435 0.286 -9.028 -8.124 1.00 0.52 H new ATOM 0 HG21 THR A 435 3.265 -10.258 -9.075 1.00 0.55 H new ATOM 0 HG22 THR A 435 3.206 -11.834 -8.250 1.00 0.55 H new ATOM 0 HG23 THR A 435 2.267 -11.573 -9.739 1.00 0.55 H new ATOM 871 N THR A 436 1.447 -12.281 -5.428 1.00 0.33 N ATOM 872 CA THR A 436 2.128 -13.132 -4.410 1.00 0.36 C ATOM 873 C THR A 436 1.374 -14.452 -4.238 1.00 0.36 C ATOM 874 O THR A 436 1.872 -15.509 -4.572 1.00 0.40 O ATOM 875 CB THR A 436 2.088 -12.315 -3.117 1.00 0.38 C ATOM 876 OG1 THR A 436 2.832 -11.118 -3.292 1.00 0.39 O ATOM 877 CG2 THR A 436 2.694 -13.133 -1.976 1.00 0.49 C ATOM 0 H THR A 436 1.164 -11.357 -5.103 1.00 0.33 H new ATOM 0 HA THR A 436 3.149 -13.385 -4.698 1.00 0.36 H new ATOM 0 HB THR A 436 1.054 -12.068 -2.874 1.00 0.38 H new ATOM 0 HG1 THR A 436 2.271 -10.348 -3.063 1.00 0.39 H new ATOM 0 HG21 THR A 436 2.665 -12.550 -1.055 1.00 0.49 H new ATOM 0 HG22 THR A 436 2.122 -14.051 -1.843 1.00 0.49 H new ATOM 0 HG23 THR A 436 3.728 -13.382 -2.216 1.00 0.49 H new ATOM 885 N ALA A 437 0.174 -14.403 -3.721 1.00 0.34 N ATOM 886 CA ALA A 437 -0.610 -15.659 -3.533 1.00 0.36 C ATOM 887 C ALA A 437 -0.629 -16.466 -4.832 1.00 0.36 C ATOM 888 O ALA A 437 -0.511 -17.675 -4.822 1.00 0.41 O ATOM 889 CB ALA A 437 -2.020 -15.197 -3.164 1.00 0.35 C ATOM 0 H ALA A 437 -0.296 -13.549 -3.421 1.00 0.34 H new ATOM 0 HA ALA A 437 -0.182 -16.303 -2.765 1.00 0.36 H new ATOM 0 HB1 ALA A 437 -2.659 -16.066 -3.009 1.00 0.35 H new ATOM 0 HB2 ALA A 437 -1.982 -14.607 -2.248 1.00 0.35 H new ATOM 0 HB3 ALA A 437 -2.426 -14.588 -3.971 1.00 0.35 H new ATOM 895 N LEU A 438 -0.765 -15.811 -5.954 1.00 0.34 N ATOM 896 CA LEU A 438 -0.774 -16.559 -7.239 1.00 0.36 C ATOM 897 C LEU A 438 0.533 -17.339 -7.379 1.00 0.42 C ATOM 898 O LEU A 438 0.550 -18.457 -7.853 1.00 0.46 O ATOM 899 CB LEU A 438 -0.897 -15.500 -8.340 1.00 0.36 C ATOM 900 CG LEU A 438 -0.705 -16.161 -9.712 1.00 0.41 C ATOM 901 CD1 LEU A 438 -1.708 -17.305 -9.880 1.00 0.42 C ATOM 902 CD2 LEU A 438 -0.929 -15.129 -10.818 1.00 0.45 C ATOM 0 H LEU A 438 -0.869 -14.800 -6.034 1.00 0.34 H new ATOM 0 HA LEU A 438 -1.593 -17.276 -7.296 1.00 0.36 H new ATOM 0 HB2 LEU A 438 -1.874 -15.020 -8.290 1.00 0.36 H new ATOM 0 HB3 LEU A 438 -0.151 -14.719 -8.193 1.00 0.36 H new ATOM 0 HG LEU A 438 0.310 -16.553 -9.779 1.00 0.41 H new ATOM 0 HD11 LEU A 438 -1.568 -17.771 -10.855 1.00 0.42 H new ATOM 0 HD12 LEU A 438 -1.549 -18.046 -9.097 1.00 0.42 H new ATOM 0 HD13 LEU A 438 -2.722 -16.913 -9.807 1.00 0.42 H new ATOM 0 HD21 LEU A 438 -0.792 -15.602 -11.790 1.00 0.45 H new ATOM 0 HD22 LEU A 438 -1.942 -14.733 -10.747 1.00 0.45 H new ATOM 0 HD23 LEU A 438 -0.213 -14.315 -10.706 1.00 0.45 H new ATOM 914 N ARG A 439 1.631 -16.765 -6.962 1.00 0.43 N ATOM 915 CA ARG A 439 2.931 -17.491 -7.066 1.00 0.51 C ATOM 916 C ARG A 439 2.790 -18.881 -6.446 1.00 0.54 C ATOM 917 O ARG A 439 3.226 -19.870 -7.003 1.00 0.61 O ATOM 918 CB ARG A 439 3.930 -16.643 -6.276 1.00 0.52 C ATOM 919 CG ARG A 439 5.249 -16.558 -7.046 1.00 0.77 C ATOM 920 CD ARG A 439 5.852 -15.162 -6.874 1.00 1.28 C ATOM 921 NE ARG A 439 7.313 -15.393 -6.696 1.00 1.74 N ATOM 922 CZ ARG A 439 7.961 -14.765 -5.752 1.00 2.28 C ATOM 923 NH1 ARG A 439 7.687 -15.006 -4.500 1.00 2.89 N ATOM 924 NH2 ARG A 439 8.885 -13.896 -6.062 1.00 2.82 N ATOM 0 H ARG A 439 1.684 -15.831 -6.556 1.00 0.43 H new ATOM 0 HA ARG A 439 3.254 -17.628 -8.098 1.00 0.51 H new ATOM 0 HB2 ARG A 439 3.526 -15.644 -6.114 1.00 0.52 H new ATOM 0 HB3 ARG A 439 4.098 -17.082 -5.293 1.00 0.52 H new ATOM 0 HG2 ARG A 439 5.945 -17.314 -6.681 1.00 0.77 H new ATOM 0 HG3 ARG A 439 5.079 -16.765 -8.103 1.00 0.77 H new ATOM 0 HD2 ARG A 439 5.654 -14.537 -7.745 1.00 1.28 H new ATOM 0 HD3 ARG A 439 5.425 -14.651 -6.011 1.00 1.28 H new ATOM 0 HE ARG A 439 7.806 -16.041 -7.310 1.00 1.74 H new ATOM 0 HH11 ARG A 439 6.966 -15.686 -4.257 1.00 2.89 H new ATOM 0 HH12 ARG A 439 8.194 -14.515 -3.763 1.00 2.89 H new ATOM 0 HH21 ARG A 439 9.100 -13.708 -7.041 1.00 2.82 H new ATOM 0 HH22 ARG A 439 9.391 -13.405 -5.325 1.00 2.82 H new ATOM 938 N HIS A 440 2.153 -18.967 -5.308 1.00 0.52 N ATOM 939 CA HIS A 440 1.954 -20.297 -4.668 1.00 0.57 C ATOM 940 C HIS A 440 1.247 -21.220 -5.665 1.00 0.58 C ATOM 941 O HIS A 440 1.437 -22.420 -5.670 1.00 0.64 O ATOM 942 CB HIS A 440 1.064 -20.020 -3.452 1.00 0.56 C ATOM 943 CG HIS A 440 0.826 -21.301 -2.703 1.00 0.63 C ATOM 944 ND1 HIS A 440 -0.276 -21.790 -2.046 1.00 1.04 N flip ATOM 945 CD2 HIS A 440 1.809 -22.269 -2.563 1.00 0.82 C flip ATOM 946 CE1 HIS A 440 0.014 -23.039 -1.507 1.00 0.96 C flip ATOM 947 NE2 HIS A 440 1.283 -23.281 -1.848 1.00 0.75 N flip ATOM 0 H HIS A 440 1.763 -18.175 -4.796 1.00 0.52 H new ATOM 0 HA HIS A 440 2.886 -20.780 -4.374 1.00 0.57 H new ATOM 0 HB2 HIS A 440 1.539 -19.288 -2.799 1.00 0.56 H new ATOM 0 HB3 HIS A 440 0.114 -19.592 -3.773 1.00 0.56 H new ATOM 0 HD2 HIS A 440 2.814 -22.220 -2.956 1.00 0.82 H new ATOM 0 HE1 HIS A 440 -0.645 -23.676 -0.936 1.00 0.96 H new ATOM 0 HE2 HIS A 440 1.791 -24.129 -1.597 1.00 0.75 H new ATOM 955 N THR A 441 0.450 -20.646 -6.525 1.00 0.54 N ATOM 956 CA THR A 441 -0.268 -21.448 -7.556 1.00 0.55 C ATOM 957 C THR A 441 -0.013 -20.823 -8.930 1.00 0.56 C ATOM 958 O THR A 441 -0.931 -20.542 -9.675 1.00 0.55 O ATOM 959 CB THR A 441 -1.751 -21.349 -7.189 1.00 0.53 C ATOM 960 OG1 THR A 441 -2.194 -20.012 -7.378 1.00 0.48 O ATOM 961 CG2 THR A 441 -1.955 -21.754 -5.728 1.00 0.54 C ATOM 0 H THR A 441 0.264 -19.644 -6.557 1.00 0.54 H new ATOM 0 HA THR A 441 0.061 -22.487 -7.591 1.00 0.55 H new ATOM 0 HB THR A 441 -2.325 -22.020 -7.828 1.00 0.53 H new ATOM 0 HG1 THR A 441 -2.236 -19.814 -8.337 1.00 0.48 H new ATOM 0 HG21 THR A 441 -3.013 -21.681 -5.474 1.00 0.54 H new ATOM 0 HG22 THR A 441 -1.617 -22.780 -5.584 1.00 0.54 H new ATOM 0 HG23 THR A 441 -1.380 -21.090 -5.083 1.00 0.54 H new ATOM 969 N GLN A 442 1.237 -20.583 -9.248 1.00 0.59 N ATOM 970 CA GLN A 442 1.604 -19.949 -10.555 1.00 0.62 C ATOM 971 C GLN A 442 0.738 -20.469 -11.708 1.00 0.64 C ATOM 972 O GLN A 442 0.647 -21.657 -11.947 1.00 0.69 O ATOM 973 CB GLN A 442 3.067 -20.334 -10.775 1.00 0.69 C ATOM 974 CG GLN A 442 3.873 -19.088 -11.150 1.00 1.43 C ATOM 975 CD GLN A 442 5.347 -19.313 -10.811 1.00 1.79 C ATOM 976 OE1 GLN A 442 6.104 -19.795 -11.630 1.00 2.16 O ATOM 977 NE2 GLN A 442 5.789 -18.982 -9.628 1.00 2.47 N ATOM 0 H GLN A 442 2.031 -20.803 -8.647 1.00 0.59 H new ATOM 0 HA GLN A 442 1.448 -18.871 -10.530 1.00 0.62 H new ATOM 0 HB2 GLN A 442 3.475 -20.785 -9.871 1.00 0.69 H new ATOM 0 HB3 GLN A 442 3.143 -21.080 -11.566 1.00 0.69 H new ATOM 0 HG2 GLN A 442 3.762 -18.876 -12.213 1.00 1.43 H new ATOM 0 HG3 GLN A 442 3.493 -18.220 -10.611 1.00 1.43 H new ATOM 0 HE21 GLN A 442 5.153 -18.577 -8.941 1.00 2.47 H new ATOM 0 HE22 GLN A 442 6.770 -19.128 -9.391 1.00 2.47 H new ATOM 986 N GLY A 443 0.109 -19.578 -12.427 1.00 0.63 N ATOM 987 CA GLY A 443 -0.747 -20.002 -13.569 1.00 0.66 C ATOM 988 C GLY A 443 -2.177 -20.246 -13.084 1.00 0.64 C ATOM 989 O GLY A 443 -3.132 -19.817 -13.701 1.00 0.66 O ATOM 0 H GLY A 443 0.152 -18.571 -12.271 1.00 0.63 H new ATOM 0 HA2 GLY A 443 -0.742 -19.235 -14.343 1.00 0.66 H new ATOM 0 HA3 GLY A 443 -0.346 -20.911 -14.018 1.00 0.66 H new ATOM 993 N HIS A 444 -2.334 -20.932 -11.986 1.00 0.62 N ATOM 994 CA HIS A 444 -3.706 -21.204 -11.470 1.00 0.62 C ATOM 995 C HIS A 444 -4.314 -19.928 -10.882 1.00 0.67 C ATOM 996 O HIS A 444 -4.514 -19.816 -9.688 1.00 1.34 O ATOM 997 CB HIS A 444 -3.517 -22.262 -10.384 1.00 0.63 C ATOM 998 CG HIS A 444 -3.211 -23.587 -11.024 1.00 0.95 C ATOM 999 ND1 HIS A 444 -4.117 -24.636 -11.024 1.00 1.52 N ATOM 1000 CD2 HIS A 444 -2.105 -24.049 -11.694 1.00 1.62 C ATOM 1001 CE1 HIS A 444 -3.546 -25.667 -11.672 1.00 1.77 C ATOM 1002 NE2 HIS A 444 -2.318 -25.363 -12.102 1.00 1.86 N ATOM 0 H HIS A 444 -1.574 -21.316 -11.424 1.00 0.62 H new ATOM 0 HA HIS A 444 -4.383 -21.543 -12.254 1.00 0.62 H new ATOM 0 HB2 HIS A 444 -2.706 -21.972 -9.716 1.00 0.63 H new ATOM 0 HB3 HIS A 444 -4.418 -22.339 -9.776 1.00 0.63 H new ATOM 0 HD1 HIS A 444 -5.048 -24.628 -10.608 1.00 1.52 H new ATOM 0 HD2 HIS A 444 -1.206 -23.479 -11.877 1.00 1.62 H new ATOM 0 HE1 HIS A 444 -4.022 -26.624 -11.826 1.00 1.77 H new ATOM 1010 N LYS A 445 -4.614 -18.965 -11.711 1.00 0.62 N ATOM 1011 CA LYS A 445 -5.214 -17.699 -11.198 1.00 0.51 C ATOM 1012 C LYS A 445 -6.477 -18.009 -10.388 1.00 0.51 C ATOM 1013 O LYS A 445 -6.909 -17.223 -9.568 1.00 0.57 O ATOM 1014 CB LYS A 445 -5.564 -16.890 -12.448 1.00 0.62 C ATOM 1015 CG LYS A 445 -4.849 -15.538 -12.400 1.00 1.31 C ATOM 1016 CD LYS A 445 -4.901 -14.883 -13.781 1.00 1.56 C ATOM 1017 CE LYS A 445 -3.584 -14.150 -14.048 1.00 2.23 C ATOM 1018 NZ LYS A 445 -3.817 -12.758 -13.576 1.00 2.52 N ATOM 0 H LYS A 445 -4.470 -19.000 -12.720 1.00 0.62 H new ATOM 0 HA LYS A 445 -4.536 -17.156 -10.540 1.00 0.51 H new ATOM 0 HB2 LYS A 445 -5.268 -17.438 -13.343 1.00 0.62 H new ATOM 0 HB3 LYS A 445 -6.642 -16.741 -12.507 1.00 0.62 H new ATOM 0 HG2 LYS A 445 -5.322 -14.891 -11.661 1.00 1.31 H new ATOM 0 HG3 LYS A 445 -3.813 -15.673 -12.089 1.00 1.31 H new ATOM 0 HD2 LYS A 445 -5.071 -15.639 -14.548 1.00 1.56 H new ATOM 0 HD3 LYS A 445 -5.736 -14.184 -13.832 1.00 1.56 H new ATOM 0 HE2 LYS A 445 -2.757 -14.616 -13.512 1.00 2.23 H new ATOM 0 HE3 LYS A 445 -3.328 -14.170 -15.107 1.00 2.23 H new ATOM 0 HZ1 LYS A 445 -2.957 -12.192 -13.726 1.00 2.52 H new ATOM 0 HZ2 LYS A 445 -4.605 -12.338 -14.109 1.00 2.52 H new ATOM 0 HZ3 LYS A 445 -4.051 -12.770 -12.563 1.00 2.52 H new ATOM 1032 N GLN A 446 -7.073 -19.148 -10.614 1.00 0.53 N ATOM 1033 CA GLN A 446 -8.307 -19.511 -9.860 1.00 0.56 C ATOM 1034 C GLN A 446 -7.955 -19.895 -8.420 1.00 0.52 C ATOM 1035 O GLN A 446 -8.593 -19.466 -7.480 1.00 0.51 O ATOM 1036 CB GLN A 446 -8.886 -20.712 -10.607 1.00 0.64 C ATOM 1037 CG GLN A 446 -10.414 -20.678 -10.527 1.00 1.11 C ATOM 1038 CD GLN A 446 -11.005 -21.456 -11.705 1.00 1.79 C ATOM 1039 OE1 GLN A 446 -11.770 -22.381 -11.515 1.00 2.45 O ATOM 1040 NE2 GLN A 446 -10.680 -21.118 -12.923 1.00 2.40 N ATOM 0 H GLN A 446 -6.758 -19.844 -11.290 1.00 0.53 H new ATOM 0 HA GLN A 446 -9.015 -18.684 -9.804 1.00 0.56 H new ATOM 0 HB2 GLN A 446 -8.566 -20.694 -11.649 1.00 0.64 H new ATOM 0 HB3 GLN A 446 -8.510 -21.639 -10.174 1.00 0.64 H new ATOM 0 HG2 GLN A 446 -10.749 -21.113 -9.585 1.00 1.11 H new ATOM 0 HG3 GLN A 446 -10.767 -19.647 -10.545 1.00 1.11 H new ATOM 0 HE21 GLN A 446 -10.038 -20.342 -13.083 1.00 2.40 H new ATOM 0 HE22 GLN A 446 -11.068 -21.630 -13.715 1.00 2.40 H new ATOM 1049 N GLU A 447 -6.943 -20.701 -8.240 1.00 0.52 N ATOM 1050 CA GLU A 447 -6.551 -21.112 -6.859 1.00 0.51 C ATOM 1051 C GLU A 447 -6.378 -19.879 -5.967 1.00 0.45 C ATOM 1052 O GLU A 447 -6.779 -19.870 -4.821 1.00 0.45 O ATOM 1053 CB GLU A 447 -5.221 -21.846 -7.025 1.00 0.53 C ATOM 1054 CG GLU A 447 -5.430 -23.342 -6.780 1.00 0.80 C ATOM 1055 CD GLU A 447 -5.682 -24.048 -8.114 1.00 1.32 C ATOM 1056 OE1 GLU A 447 -6.770 -23.899 -8.644 1.00 2.14 O ATOM 1057 OE2 GLU A 447 -4.781 -24.724 -8.582 1.00 1.96 O ATOM 0 H GLU A 447 -6.371 -21.093 -8.988 1.00 0.52 H new ATOM 0 HA GLU A 447 -7.306 -21.740 -6.387 1.00 0.51 H new ATOM 0 HB2 GLU A 447 -4.826 -21.683 -8.028 1.00 0.53 H new ATOM 0 HB3 GLU A 447 -4.485 -21.451 -6.324 1.00 0.53 H new ATOM 0 HG2 GLU A 447 -4.553 -23.767 -6.291 1.00 0.80 H new ATOM 0 HG3 GLU A 447 -6.275 -23.497 -6.109 1.00 0.80 H new ATOM 1064 N ALA A 448 -5.788 -18.835 -6.486 1.00 0.42 N ATOM 1065 CA ALA A 448 -5.597 -17.604 -5.666 1.00 0.39 C ATOM 1066 C ALA A 448 -6.936 -17.160 -5.069 1.00 0.40 C ATOM 1067 O ALA A 448 -6.984 -16.473 -4.069 1.00 0.40 O ATOM 1068 CB ALA A 448 -5.068 -16.554 -6.644 1.00 0.39 C ATOM 0 H ALA A 448 -5.431 -18.782 -7.440 1.00 0.42 H new ATOM 0 HA ALA A 448 -4.913 -17.761 -4.832 1.00 0.39 H new ATOM 0 HB1 ALA A 448 -4.901 -15.616 -6.115 1.00 0.39 H new ATOM 0 HB2 ALA A 448 -4.128 -16.899 -7.075 1.00 0.39 H new ATOM 0 HB3 ALA A 448 -5.797 -16.398 -7.439 1.00 0.39 H new ATOM 1074 N ALA A 449 -8.022 -17.552 -5.678 1.00 0.44 N ATOM 1075 CA ALA A 449 -9.359 -17.158 -5.149 1.00 0.47 C ATOM 1076 C ALA A 449 -9.492 -17.578 -3.682 1.00 0.48 C ATOM 1077 O ALA A 449 -9.606 -16.754 -2.798 1.00 0.49 O ATOM 1078 CB ALA A 449 -10.363 -17.922 -6.013 1.00 0.52 C ATOM 0 H ALA A 449 -8.041 -18.128 -6.519 1.00 0.44 H new ATOM 0 HA ALA A 449 -9.518 -16.080 -5.188 1.00 0.47 H new ATOM 0 HB1 ALA A 449 -11.376 -17.687 -5.687 1.00 0.52 H new ATOM 0 HB2 ALA A 449 -10.240 -17.631 -7.056 1.00 0.52 H new ATOM 0 HB3 ALA A 449 -10.189 -18.993 -5.912 1.00 0.52 H new ATOM 1084 N ARG A 450 -9.476 -18.857 -3.422 1.00 0.49 N ATOM 1085 CA ARG A 450 -9.602 -19.336 -2.014 1.00 0.52 C ATOM 1086 C ARG A 450 -8.413 -18.851 -1.181 1.00 0.49 C ATOM 1087 O ARG A 450 -8.549 -18.525 -0.019 1.00 0.50 O ATOM 1088 CB ARG A 450 -9.598 -20.861 -2.117 1.00 0.56 C ATOM 1089 CG ARG A 450 -9.625 -21.470 -0.715 1.00 0.78 C ATOM 1090 CD ARG A 450 -9.459 -22.988 -0.814 1.00 1.37 C ATOM 1091 NE ARG A 450 -10.136 -23.527 0.397 1.00 1.77 N ATOM 1092 CZ ARG A 450 -11.248 -24.199 0.277 1.00 2.35 C ATOM 1093 NH1 ARG A 450 -11.282 -25.280 -0.452 1.00 2.93 N ATOM 1094 NH2 ARG A 450 -12.327 -23.789 0.886 1.00 2.97 N ATOM 0 H ARG A 450 -9.381 -19.592 -4.123 1.00 0.49 H new ATOM 0 HA ARG A 450 -10.502 -18.961 -1.528 1.00 0.52 H new ATOM 0 HB2 ARG A 450 -10.463 -21.199 -2.688 1.00 0.56 H new ATOM 0 HB3 ARG A 450 -8.711 -21.197 -2.653 1.00 0.56 H new ATOM 0 HG2 ARG A 450 -8.826 -21.045 -0.107 1.00 0.78 H new ATOM 0 HG3 ARG A 450 -10.565 -21.228 -0.220 1.00 0.78 H new ATOM 0 HD2 ARG A 450 -9.912 -23.376 -1.726 1.00 1.37 H new ATOM 0 HD3 ARG A 450 -8.406 -23.270 -0.836 1.00 1.37 H new ATOM 0 HE ARG A 450 -9.731 -23.371 1.320 1.00 1.77 H new ATOM 0 HH11 ARG A 450 -10.439 -25.600 -0.929 1.00 2.93 H new ATOM 0 HH12 ARG A 450 -12.152 -25.805 -0.545 1.00 2.93 H new ATOM 0 HH21 ARG A 450 -12.301 -22.943 1.456 1.00 2.97 H new ATOM 0 HH22 ARG A 450 -13.196 -24.314 0.792 1.00 2.97 H new ATOM 1108 N LEU A 451 -7.249 -18.801 -1.768 1.00 0.47 N ATOM 1109 CA LEU A 451 -6.052 -18.337 -1.011 1.00 0.47 C ATOM 1110 C LEU A 451 -6.292 -16.935 -0.447 1.00 0.44 C ATOM 1111 O LEU A 451 -5.674 -16.528 0.516 1.00 0.48 O ATOM 1112 CB LEU A 451 -4.920 -18.315 -2.039 1.00 0.46 C ATOM 1113 CG LEU A 451 -3.990 -19.507 -1.802 1.00 0.53 C ATOM 1114 CD1 LEU A 451 -3.362 -19.937 -3.128 1.00 0.92 C ATOM 1115 CD2 LEU A 451 -2.885 -19.101 -0.823 1.00 1.04 C ATOM 0 H LEU A 451 -7.075 -19.061 -2.739 1.00 0.47 H new ATOM 0 HA LEU A 451 -5.823 -18.983 -0.164 1.00 0.47 H new ATOM 0 HB2 LEU A 451 -5.330 -18.356 -3.048 1.00 0.46 H new ATOM 0 HB3 LEU A 451 -4.361 -17.383 -1.960 1.00 0.46 H new ATOM 0 HG LEU A 451 -4.561 -20.337 -1.386 1.00 0.53 H new ATOM 0 HD11 LEU A 451 -2.700 -20.786 -2.959 1.00 0.92 H new ATOM 0 HD12 LEU A 451 -4.148 -20.224 -3.827 1.00 0.92 H new ATOM 0 HD13 LEU A 451 -2.790 -19.108 -3.545 1.00 0.92 H new ATOM 0 HD21 LEU A 451 -2.221 -19.948 -0.652 1.00 1.04 H new ATOM 0 HD22 LEU A 451 -2.315 -18.272 -1.241 1.00 1.04 H new ATOM 0 HD23 LEU A 451 -3.332 -18.794 0.123 1.00 1.04 H new ATOM 1127 N LEU A 452 -7.187 -16.194 -1.040 1.00 0.42 N ATOM 1128 CA LEU A 452 -7.467 -14.817 -0.537 1.00 0.41 C ATOM 1129 C LEU A 452 -8.922 -14.707 -0.067 1.00 0.46 C ATOM 1130 O LEU A 452 -9.438 -13.624 0.126 1.00 0.51 O ATOM 1131 CB LEU A 452 -7.227 -13.899 -1.738 1.00 0.37 C ATOM 1132 CG LEU A 452 -5.801 -14.090 -2.261 1.00 0.35 C ATOM 1133 CD1 LEU A 452 -5.768 -13.799 -3.762 1.00 0.31 C ATOM 1134 CD2 LEU A 452 -4.859 -13.127 -1.536 1.00 0.43 C ATOM 0 H LEU A 452 -7.737 -16.481 -1.850 1.00 0.42 H new ATOM 0 HA LEU A 452 -6.837 -14.555 0.313 1.00 0.41 H new ATOM 0 HB2 LEU A 452 -7.946 -14.121 -2.526 1.00 0.37 H new ATOM 0 HB3 LEU A 452 -7.382 -12.859 -1.449 1.00 0.37 H new ATOM 0 HG LEU A 452 -5.481 -15.116 -2.081 1.00 0.35 H new ATOM 0 HD11 LEU A 452 -4.753 -13.934 -4.137 1.00 0.31 H new ATOM 0 HD12 LEU A 452 -6.440 -14.483 -4.280 1.00 0.31 H new ATOM 0 HD13 LEU A 452 -6.087 -12.772 -3.941 1.00 0.31 H new ATOM 0 HD21 LEU A 452 -3.843 -13.262 -1.908 1.00 0.43 H new ATOM 0 HD22 LEU A 452 -5.178 -12.101 -1.717 1.00 0.43 H new ATOM 0 HD23 LEU A 452 -4.884 -13.331 -0.466 1.00 0.43 H new ATOM 1146 N GLY A 453 -9.592 -15.815 0.115 1.00 0.50 N ATOM 1147 CA GLY A 453 -11.013 -15.761 0.567 1.00 0.56 C ATOM 1148 C GLY A 453 -11.813 -14.870 -0.382 1.00 0.58 C ATOM 1149 O GLY A 453 -12.587 -14.033 0.038 1.00 0.68 O ATOM 0 H GLY A 453 -9.217 -16.753 -0.030 1.00 0.50 H new ATOM 0 HA2 GLY A 453 -11.438 -16.764 0.587 1.00 0.56 H new ATOM 0 HA3 GLY A 453 -11.068 -15.371 1.583 1.00 0.56 H new ATOM 1153 N TRP A 454 -11.623 -15.039 -1.659 1.00 0.54 N ATOM 1154 CA TRP A 454 -12.360 -14.199 -2.646 1.00 0.60 C ATOM 1155 C TRP A 454 -13.325 -15.057 -3.469 1.00 0.68 C ATOM 1156 O TRP A 454 -14.522 -15.047 -3.255 1.00 1.16 O ATOM 1157 CB TRP A 454 -11.271 -13.616 -3.552 1.00 0.53 C ATOM 1158 CG TRP A 454 -10.749 -12.332 -2.981 1.00 0.53 C ATOM 1159 CD1 TRP A 454 -10.791 -11.977 -1.672 1.00 0.58 C ATOM 1160 CD2 TRP A 454 -10.100 -11.231 -3.682 1.00 0.50 C ATOM 1161 NE1 TRP A 454 -10.211 -10.729 -1.524 1.00 0.58 N ATOM 1162 CE2 TRP A 454 -9.768 -10.224 -2.730 1.00 0.52 C ATOM 1163 CE3 TRP A 454 -9.767 -11.006 -5.043 1.00 0.51 C ATOM 1164 CZ2 TRP A 454 -9.126 -9.032 -3.113 1.00 0.52 C ATOM 1165 CZ3 TRP A 454 -9.121 -9.807 -5.433 1.00 0.53 C ATOM 1166 CH2 TRP A 454 -8.802 -8.823 -4.469 1.00 0.52 C ATOM 0 H TRP A 454 -10.987 -15.725 -2.065 1.00 0.54 H new ATOM 0 HA TRP A 454 -12.957 -13.427 -2.161 1.00 0.60 H new ATOM 0 HB2 TRP A 454 -10.456 -14.332 -3.659 1.00 0.53 H new ATOM 0 HB3 TRP A 454 -11.674 -13.441 -4.549 1.00 0.53 H new ATOM 0 HD1 TRP A 454 -11.210 -12.572 -0.874 1.00 0.58 H new ATOM 0 HE1 TRP A 454 -10.122 -10.242 -0.632 1.00 0.58 H new ATOM 0 HE3 TRP A 454 -10.007 -11.753 -5.785 1.00 0.51 H new ATOM 0 HZ2 TRP A 454 -8.883 -8.283 -2.374 1.00 0.52 H new ATOM 0 HZ3 TRP A 454 -8.871 -9.644 -6.471 1.00 0.53 H new ATOM 0 HH2 TRP A 454 -8.310 -7.911 -4.772 1.00 0.52 H new ATOM 1177 N GLY A 455 -12.810 -15.791 -4.416 1.00 0.72 N ATOM 1178 CA GLY A 455 -13.683 -16.645 -5.269 1.00 0.72 C ATOM 1179 C GLY A 455 -13.304 -16.425 -6.734 1.00 0.70 C ATOM 1180 O GLY A 455 -12.316 -15.791 -7.032 1.00 0.64 O ATOM 0 H GLY A 455 -11.815 -15.836 -4.637 1.00 0.72 H new ATOM 0 HA2 GLY A 455 -13.563 -17.695 -5.001 1.00 0.72 H new ATOM 0 HA3 GLY A 455 -14.731 -16.393 -5.108 1.00 0.72 H new ATOM 1184 N ALA A 456 -14.076 -16.936 -7.653 1.00 0.77 N ATOM 1185 CA ALA A 456 -13.742 -16.738 -9.092 1.00 0.77 C ATOM 1186 C ALA A 456 -14.408 -15.464 -9.608 1.00 0.82 C ATOM 1187 O ALA A 456 -13.859 -14.751 -10.424 1.00 0.83 O ATOM 1188 CB ALA A 456 -14.304 -17.967 -9.807 1.00 0.84 C ATOM 0 H ALA A 456 -14.920 -17.480 -7.471 1.00 0.77 H new ATOM 0 HA ALA A 456 -12.670 -16.631 -9.259 1.00 0.77 H new ATOM 0 HB1 ALA A 456 -14.096 -17.893 -10.875 1.00 0.84 H new ATOM 0 HB2 ALA A 456 -13.835 -18.866 -9.407 1.00 0.84 H new ATOM 0 HB3 ALA A 456 -15.381 -18.019 -9.650 1.00 0.84 H new ATOM 1194 N ALA A 457 -15.585 -15.165 -9.131 1.00 0.90 N ATOM 1195 CA ALA A 457 -16.278 -13.931 -9.591 1.00 0.97 C ATOM 1196 C ALA A 457 -15.562 -12.700 -9.029 1.00 0.89 C ATOM 1197 O ALA A 457 -15.524 -11.654 -9.645 1.00 0.91 O ATOM 1198 CB ALA A 457 -17.696 -14.034 -9.029 1.00 1.08 C ATOM 0 H ALA A 457 -16.095 -15.721 -8.444 1.00 0.90 H new ATOM 0 HA ALA A 457 -16.284 -13.835 -10.677 1.00 0.97 H new ATOM 0 HB1 ALA A 457 -18.270 -13.157 -9.327 1.00 1.08 H new ATOM 0 HB2 ALA A 457 -18.177 -14.932 -9.417 1.00 1.08 H new ATOM 0 HB3 ALA A 457 -17.653 -14.087 -7.941 1.00 1.08 H new ATOM 1204 N THR A 458 -14.987 -12.824 -7.864 1.00 0.84 N ATOM 1205 CA THR A 458 -14.264 -11.670 -7.259 1.00 0.77 C ATOM 1206 C THR A 458 -12.899 -11.504 -7.929 1.00 0.68 C ATOM 1207 O THR A 458 -12.550 -10.440 -8.398 1.00 0.67 O ATOM 1208 CB THR A 458 -14.098 -12.038 -5.784 1.00 0.76 C ATOM 1209 OG1 THR A 458 -15.374 -12.291 -5.214 1.00 0.85 O ATOM 1210 CG2 THR A 458 -13.425 -10.883 -5.040 1.00 0.72 C ATOM 0 H THR A 458 -14.987 -13.677 -7.304 1.00 0.84 H new ATOM 0 HA THR A 458 -14.799 -10.729 -7.384 1.00 0.77 H new ATOM 0 HB THR A 458 -13.479 -12.931 -5.700 1.00 0.76 H new ATOM 0 HG1 THR A 458 -15.269 -12.529 -4.269 1.00 0.85 H new ATOM 0 HG21 THR A 458 -13.307 -11.147 -3.989 1.00 0.72 H new ATOM 0 HG22 THR A 458 -12.446 -10.690 -5.478 1.00 0.72 H new ATOM 0 HG23 THR A 458 -14.042 -9.988 -5.123 1.00 0.72 H new ATOM 1218 N LEU A 459 -12.127 -12.556 -7.982 1.00 0.64 N ATOM 1219 CA LEU A 459 -10.786 -12.466 -8.628 1.00 0.57 C ATOM 1220 C LEU A 459 -10.924 -11.890 -10.039 1.00 0.60 C ATOM 1221 O LEU A 459 -10.040 -11.223 -10.540 1.00 0.58 O ATOM 1222 CB LEU A 459 -10.277 -13.909 -8.679 1.00 0.56 C ATOM 1223 CG LEU A 459 -8.945 -14.007 -7.937 1.00 0.47 C ATOM 1224 CD1 LEU A 459 -8.731 -15.442 -7.457 1.00 0.48 C ATOM 1225 CD2 LEU A 459 -7.806 -13.613 -8.876 1.00 0.46 C ATOM 0 H LEU A 459 -12.367 -13.473 -7.606 1.00 0.64 H new ATOM 0 HA LEU A 459 -10.102 -11.814 -8.085 1.00 0.57 H new ATOM 0 HB2 LEU A 459 -11.008 -14.580 -8.226 1.00 0.56 H new ATOM 0 HB3 LEU A 459 -10.152 -14.225 -9.715 1.00 0.56 H new ATOM 0 HG LEU A 459 -8.960 -13.334 -7.080 1.00 0.47 H new ATOM 0 HD11 LEU A 459 -7.781 -15.511 -6.928 1.00 0.48 H new ATOM 0 HD12 LEU A 459 -9.541 -15.726 -6.786 1.00 0.48 H new ATOM 0 HD13 LEU A 459 -8.718 -16.114 -8.315 1.00 0.48 H new ATOM 0 HD21 LEU A 459 -6.856 -13.683 -8.346 1.00 0.46 H new ATOM 0 HD22 LEU A 459 -7.793 -14.285 -9.734 1.00 0.46 H new ATOM 0 HD23 LEU A 459 -7.955 -12.589 -9.219 1.00 0.46 H new ATOM 1237 N THR A 460 -12.033 -12.140 -10.681 1.00 0.68 N ATOM 1238 CA THR A 460 -12.238 -11.606 -12.058 1.00 0.74 C ATOM 1239 C THR A 460 -12.906 -10.229 -11.992 1.00 0.76 C ATOM 1240 O THR A 460 -12.448 -9.276 -12.591 1.00 0.75 O ATOM 1241 CB THR A 460 -13.158 -12.619 -12.741 1.00 0.83 C ATOM 1242 OG1 THR A 460 -12.482 -13.863 -12.865 1.00 0.82 O ATOM 1243 CG2 THR A 460 -13.548 -12.109 -14.129 1.00 0.92 C ATOM 0 H THR A 460 -12.807 -12.692 -10.311 1.00 0.68 H new ATOM 0 HA THR A 460 -11.301 -11.479 -12.600 1.00 0.74 H new ATOM 0 HB THR A 460 -14.058 -12.751 -12.141 1.00 0.83 H new ATOM 0 HG1 THR A 460 -12.744 -14.453 -12.128 1.00 0.82 H new ATOM 0 HG21 THR A 460 -14.203 -12.834 -14.612 1.00 0.92 H new ATOM 0 HG22 THR A 460 -14.069 -11.156 -14.033 1.00 0.92 H new ATOM 0 HG23 THR A 460 -12.650 -11.973 -14.732 1.00 0.92 H new ATOM 1251 N ALA A 461 -13.986 -10.118 -11.268 1.00 0.81 N ATOM 1252 CA ALA A 461 -14.683 -8.805 -11.164 1.00 0.85 C ATOM 1253 C ALA A 461 -13.741 -7.757 -10.566 1.00 0.79 C ATOM 1254 O ALA A 461 -13.779 -6.597 -10.923 1.00 0.83 O ATOM 1255 CB ALA A 461 -15.868 -9.056 -10.229 1.00 0.92 C ATOM 0 H ALA A 461 -14.416 -10.880 -10.744 1.00 0.81 H new ATOM 0 HA ALA A 461 -15.005 -8.429 -12.135 1.00 0.85 H new ATOM 0 HB1 ALA A 461 -16.433 -8.133 -10.102 1.00 0.92 H new ATOM 0 HB2 ALA A 461 -16.515 -9.821 -10.659 1.00 0.92 H new ATOM 0 HB3 ALA A 461 -15.501 -9.394 -9.260 1.00 0.92 H new ATOM 1261 N LYS A 462 -12.896 -8.161 -9.657 1.00 0.72 N ATOM 1262 CA LYS A 462 -11.950 -7.190 -9.035 1.00 0.68 C ATOM 1263 C LYS A 462 -10.927 -6.711 -10.068 1.00 0.66 C ATOM 1264 O LYS A 462 -10.332 -5.662 -9.926 1.00 0.67 O ATOM 1265 CB LYS A 462 -11.258 -7.973 -7.919 1.00 0.66 C ATOM 1266 CG LYS A 462 -12.233 -8.180 -6.759 1.00 0.99 C ATOM 1267 CD LYS A 462 -12.319 -6.897 -5.931 1.00 0.91 C ATOM 1268 CE LYS A 462 -13.782 -6.607 -5.589 1.00 1.31 C ATOM 1269 NZ LYS A 462 -13.741 -5.388 -4.733 1.00 1.39 N ATOM 0 H LYS A 462 -12.819 -9.120 -9.318 1.00 0.72 H new ATOM 0 HA LYS A 462 -12.458 -6.303 -8.657 1.00 0.68 H new ATOM 0 HB2 LYS A 462 -10.915 -8.937 -8.296 1.00 0.66 H new ATOM 0 HB3 LYS A 462 -10.376 -7.433 -7.575 1.00 0.66 H new ATOM 0 HG2 LYS A 462 -13.219 -8.446 -7.141 1.00 0.99 H new ATOM 0 HG3 LYS A 462 -11.900 -9.008 -6.133 1.00 0.99 H new ATOM 0 HD2 LYS A 462 -11.735 -7.002 -5.017 1.00 0.91 H new ATOM 0 HD3 LYS A 462 -11.892 -6.063 -6.488 1.00 0.91 H new ATOM 0 HE2 LYS A 462 -14.372 -6.438 -6.490 1.00 1.31 H new ATOM 0 HE3 LYS A 462 -14.238 -7.445 -5.062 1.00 1.31 H new ATOM 0 HZ1 LYS A 462 -14.709 -5.125 -4.457 1.00 1.39 H new ATOM 0 HZ2 LYS A 462 -13.178 -5.581 -3.880 1.00 1.39 H new ATOM 0 HZ3 LYS A 462 -13.308 -4.605 -5.264 1.00 1.39 H new ATOM 1283 N LEU A 463 -10.717 -7.474 -11.106 1.00 0.65 N ATOM 1284 CA LEU A 463 -9.730 -7.061 -12.146 1.00 0.65 C ATOM 1285 C LEU A 463 -10.231 -5.822 -12.893 1.00 0.68 C ATOM 1286 O LEU A 463 -9.505 -4.867 -13.087 1.00 0.70 O ATOM 1287 CB LEU A 463 -9.631 -8.255 -13.093 1.00 0.68 C ATOM 1288 CG LEU A 463 -8.490 -8.026 -14.085 1.00 0.81 C ATOM 1289 CD1 LEU A 463 -7.634 -9.290 -14.181 1.00 0.99 C ATOM 1290 CD2 LEU A 463 -9.072 -7.699 -15.462 1.00 0.99 C ATOM 0 H LEU A 463 -11.185 -8.364 -11.279 1.00 0.65 H new ATOM 0 HA LEU A 463 -8.763 -6.800 -11.716 1.00 0.65 H new ATOM 0 HB2 LEU A 463 -9.456 -9.169 -12.526 1.00 0.68 H new ATOM 0 HB3 LEU A 463 -10.571 -8.387 -13.628 1.00 0.68 H new ATOM 0 HG LEU A 463 -7.872 -7.195 -13.743 1.00 0.81 H new ATOM 0 HD11 LEU A 463 -6.821 -9.126 -14.888 1.00 0.99 H new ATOM 0 HD12 LEU A 463 -7.220 -9.524 -13.200 1.00 0.99 H new ATOM 0 HD13 LEU A 463 -8.250 -10.122 -14.523 1.00 0.99 H new ATOM 0 HD21 LEU A 463 -8.260 -7.535 -16.171 1.00 0.99 H new ATOM 0 HD22 LEU A 463 -9.689 -8.530 -15.803 1.00 0.99 H new ATOM 0 HD23 LEU A 463 -9.682 -6.798 -15.395 1.00 0.99 H new ATOM 1302 N LYS A 464 -11.466 -5.827 -13.315 1.00 0.72 N ATOM 1303 CA LYS A 464 -12.008 -4.648 -14.049 1.00 0.77 C ATOM 1304 C LYS A 464 -12.448 -3.565 -13.060 1.00 0.76 C ATOM 1305 O LYS A 464 -12.550 -2.404 -13.401 1.00 0.82 O ATOM 1306 CB LYS A 464 -13.211 -5.183 -14.829 1.00 0.85 C ATOM 1307 CG LYS A 464 -13.280 -4.495 -16.194 1.00 1.20 C ATOM 1308 CD LYS A 464 -14.609 -4.833 -16.873 1.00 1.62 C ATOM 1309 CE LYS A 464 -14.654 -4.185 -18.258 1.00 2.25 C ATOM 1310 NZ LYS A 464 -15.105 -2.787 -18.014 1.00 2.66 N ATOM 0 H LYS A 464 -12.123 -6.596 -13.183 1.00 0.72 H new ATOM 0 HA LYS A 464 -11.266 -4.195 -14.706 1.00 0.77 H new ATOM 0 HB2 LYS A 464 -13.124 -6.262 -14.957 1.00 0.85 H new ATOM 0 HB3 LYS A 464 -14.130 -5.001 -14.271 1.00 0.85 H new ATOM 0 HG2 LYS A 464 -13.186 -3.416 -16.074 1.00 1.20 H new ATOM 0 HG3 LYS A 464 -12.448 -4.820 -16.819 1.00 1.20 H new ATOM 0 HD2 LYS A 464 -14.720 -5.914 -16.962 1.00 1.62 H new ATOM 0 HD3 LYS A 464 -15.441 -4.476 -16.266 1.00 1.62 H new ATOM 0 HE2 LYS A 464 -13.675 -4.206 -18.736 1.00 2.25 H new ATOM 0 HE3 LYS A 464 -15.342 -4.712 -18.918 1.00 2.25 H new ATOM 0 HZ1 LYS A 464 -15.275 -2.313 -18.924 1.00 2.66 H new ATOM 0 HZ2 LYS A 464 -15.985 -2.798 -17.460 1.00 2.66 H new ATOM 0 HZ3 LYS A 464 -14.371 -2.272 -17.487 1.00 2.66 H new ATOM 1324 N GLU A 465 -12.708 -3.936 -11.836 1.00 0.73 N ATOM 1325 CA GLU A 465 -13.140 -2.926 -10.827 1.00 0.76 C ATOM 1326 C GLU A 465 -12.039 -1.882 -10.616 1.00 0.69 C ATOM 1327 O GLU A 465 -12.267 -0.694 -10.731 1.00 0.85 O ATOM 1328 CB GLU A 465 -13.375 -3.724 -9.544 1.00 0.79 C ATOM 1329 CG GLU A 465 -14.088 -2.842 -8.517 1.00 1.12 C ATOM 1330 CD GLU A 465 -15.586 -2.805 -8.828 1.00 1.42 C ATOM 1331 OE1 GLU A 465 -15.950 -2.198 -9.821 1.00 2.03 O ATOM 1332 OE2 GLU A 465 -16.343 -3.385 -8.067 1.00 1.95 O ATOM 0 H GLU A 465 -12.640 -4.893 -11.491 1.00 0.73 H new ATOM 0 HA GLU A 465 -14.033 -2.385 -11.141 1.00 0.76 H new ATOM 0 HB2 GLU A 465 -13.975 -4.609 -9.758 1.00 0.79 H new ATOM 0 HB3 GLU A 465 -12.424 -4.073 -9.141 1.00 0.79 H new ATOM 0 HG2 GLU A 465 -13.924 -3.231 -7.512 1.00 1.12 H new ATOM 0 HG3 GLU A 465 -13.676 -1.833 -8.540 1.00 1.12 H new ATOM 1339 N LEU A 466 -10.849 -2.316 -10.307 1.00 0.56 N ATOM 1340 CA LEU A 466 -9.736 -1.348 -10.087 1.00 0.59 C ATOM 1341 C LEU A 466 -9.572 -0.441 -11.310 1.00 0.70 C ATOM 1342 O LEU A 466 -9.214 0.715 -11.194 1.00 0.81 O ATOM 1343 CB LEU A 466 -8.491 -2.213 -9.890 1.00 0.56 C ATOM 1344 CG LEU A 466 -8.479 -2.775 -8.468 1.00 0.54 C ATOM 1345 CD1 LEU A 466 -7.487 -3.937 -8.386 1.00 0.62 C ATOM 1346 CD2 LEU A 466 -8.056 -1.676 -7.492 1.00 0.52 C ATOM 0 H LEU A 466 -10.598 -3.299 -10.197 1.00 0.56 H new ATOM 0 HA LEU A 466 -9.919 -0.697 -9.232 1.00 0.59 H new ATOM 0 HB2 LEU A 466 -8.483 -3.028 -10.614 1.00 0.56 H new ATOM 0 HB3 LEU A 466 -7.593 -1.621 -10.066 1.00 0.56 H new ATOM 0 HG LEU A 466 -9.476 -3.130 -8.209 1.00 0.54 H new ATOM 0 HD11 LEU A 466 -7.479 -4.337 -7.372 1.00 0.62 H new ATOM 0 HD12 LEU A 466 -7.785 -4.720 -9.083 1.00 0.62 H new ATOM 0 HD13 LEU A 466 -6.489 -3.582 -8.644 1.00 0.62 H new ATOM 0 HD21 LEU A 466 -8.047 -2.074 -6.477 1.00 0.52 H new ATOM 0 HD22 LEU A 466 -7.058 -1.323 -7.752 1.00 0.52 H new ATOM 0 HD23 LEU A 466 -8.761 -0.847 -7.550 1.00 0.52 H new ATOM 1358 N GLY A 467 -9.833 -0.954 -12.481 1.00 0.77 N ATOM 1359 CA GLY A 467 -9.692 -0.119 -13.708 1.00 0.97 C ATOM 1360 C GLY A 467 -10.708 1.024 -13.666 1.00 1.08 C ATOM 1361 O GLY A 467 -10.485 2.086 -14.210 1.00 1.38 O ATOM 0 H GLY A 467 -10.137 -1.914 -12.641 1.00 0.77 H new ATOM 0 HA2 GLY A 467 -8.680 0.282 -13.774 1.00 0.97 H new ATOM 0 HA3 GLY A 467 -9.852 -0.730 -14.597 1.00 0.97 H new ATOM 1723 N TRP B 402 6.130 -1.122 4.632 1.00 0.95 N ATOM 1724 CA TRP B 402 4.832 -1.823 4.393 1.00 0.86 C ATOM 1725 C TRP B 402 4.931 -2.851 3.263 1.00 0.79 C ATOM 1726 O TRP B 402 4.850 -4.035 3.500 1.00 0.71 O ATOM 1727 CB TRP B 402 3.852 -0.715 4.013 1.00 0.96 C ATOM 1728 CG TRP B 402 2.574 -0.935 4.745 1.00 0.84 C ATOM 1729 CD1 TRP B 402 2.345 -0.558 6.021 1.00 0.94 C ATOM 1730 CD2 TRP B 402 1.359 -1.583 4.278 1.00 0.76 C ATOM 1731 NE1 TRP B 402 1.058 -0.931 6.375 1.00 1.00 N ATOM 1732 CE2 TRP B 402 0.407 -1.567 5.337 1.00 0.83 C ATOM 1733 CE3 TRP B 402 0.987 -2.182 3.046 1.00 0.78 C ATOM 1734 CZ2 TRP B 402 -0.874 -2.126 5.181 1.00 0.83 C ATOM 1735 CZ3 TRP B 402 -0.301 -2.745 2.884 1.00 0.72 C ATOM 1736 CH2 TRP B 402 -1.230 -2.718 3.950 1.00 0.69 C ATOM 0 HA TRP B 402 4.521 -2.381 5.276 1.00 0.86 H new ATOM 0 HB2 TRP B 402 4.268 0.260 4.265 1.00 0.96 H new ATOM 0 HB3 TRP B 402 3.677 -0.719 2.937 1.00 0.96 H new ATOM 0 HD1 TRP B 402 3.050 -0.049 6.661 1.00 0.94 H new ATOM 0 HE1 TRP B 402 0.643 -0.757 7.290 1.00 1.00 H new ATOM 0 HE3 TRP B 402 1.691 -2.208 2.228 1.00 0.78 H new ATOM 0 HZ2 TRP B 402 -1.581 -2.103 5.997 1.00 0.83 H new ATOM 0 HZ3 TRP B 402 -0.576 -3.197 1.942 1.00 0.72 H new ATOM 0 HH2 TRP B 402 -2.211 -3.150 3.822 1.00 0.69 H new ATOM 1747 N ALA B 403 5.095 -2.417 2.042 1.00 0.85 N ATOM 1748 CA ALA B 403 5.187 -3.389 0.906 1.00 0.85 C ATOM 1749 C ALA B 403 6.166 -4.519 1.245 1.00 0.80 C ATOM 1750 O ALA B 403 5.844 -5.684 1.124 1.00 0.76 O ATOM 1751 CB ALA B 403 5.699 -2.571 -0.278 1.00 0.99 C ATOM 0 H ALA B 403 5.169 -1.434 1.779 1.00 0.85 H new ATOM 0 HA ALA B 403 4.228 -3.859 0.691 1.00 0.85 H new ATOM 0 HB1 ALA B 403 5.793 -3.216 -1.152 1.00 0.99 H new ATOM 0 HB2 ALA B 403 4.997 -1.766 -0.495 1.00 0.99 H new ATOM 0 HB3 ALA B 403 6.673 -2.147 -0.033 1.00 0.99 H new ATOM 1757 N THR B 404 7.348 -4.188 1.682 1.00 0.82 N ATOM 1758 CA THR B 404 8.324 -5.255 2.040 1.00 0.81 C ATOM 1759 C THR B 404 7.709 -6.161 3.108 1.00 0.70 C ATOM 1760 O THR B 404 7.892 -7.363 3.104 1.00 0.69 O ATOM 1761 CB THR B 404 9.545 -4.516 2.592 1.00 0.89 C ATOM 1762 OG1 THR B 404 9.687 -3.271 1.921 1.00 1.07 O ATOM 1763 CG2 THR B 404 10.800 -5.361 2.371 1.00 0.89 C ATOM 0 H THR B 404 7.680 -3.232 1.806 1.00 0.82 H new ATOM 0 HA THR B 404 8.593 -5.884 1.191 1.00 0.81 H new ATOM 0 HB THR B 404 9.411 -4.342 3.660 1.00 0.89 H new ATOM 0 HG1 THR B 404 10.468 -2.796 2.275 1.00 1.07 H new ATOM 0 HG21 THR B 404 11.668 -4.833 2.765 1.00 0.89 H new ATOM 0 HG22 THR B 404 10.691 -6.315 2.886 1.00 0.89 H new ATOM 0 HG23 THR B 404 10.936 -5.538 1.304 1.00 0.89 H new ATOM 1771 N LEU B 405 6.966 -5.588 4.018 1.00 0.67 N ATOM 1772 CA LEU B 405 6.320 -6.405 5.084 1.00 0.61 C ATOM 1773 C LEU B 405 5.157 -7.202 4.487 1.00 0.53 C ATOM 1774 O LEU B 405 4.789 -8.248 4.981 1.00 0.52 O ATOM 1775 CB LEU B 405 5.817 -5.376 6.110 1.00 0.67 C ATOM 1776 CG LEU B 405 5.158 -6.066 7.320 1.00 0.64 C ATOM 1777 CD1 LEU B 405 3.761 -6.560 6.939 1.00 0.57 C ATOM 1778 CD2 LEU B 405 6.010 -7.253 7.792 1.00 0.64 C ATOM 0 H LEU B 405 6.779 -4.587 4.068 1.00 0.67 H new ATOM 0 HA LEU B 405 6.998 -7.128 5.538 1.00 0.61 H new ATOM 0 HB2 LEU B 405 6.650 -4.761 6.449 1.00 0.67 H new ATOM 0 HB3 LEU B 405 5.099 -4.707 5.635 1.00 0.67 H new ATOM 0 HG LEU B 405 5.080 -5.342 8.131 1.00 0.64 H new ATOM 0 HD11 LEU B 405 3.300 -7.047 7.799 1.00 0.57 H new ATOM 0 HD12 LEU B 405 3.148 -5.714 6.629 1.00 0.57 H new ATOM 0 HD13 LEU B 405 3.838 -7.272 6.117 1.00 0.57 H new ATOM 0 HD21 LEU B 405 5.530 -7.728 8.647 1.00 0.64 H new ATOM 0 HD22 LEU B 405 6.107 -7.976 6.982 1.00 0.64 H new ATOM 0 HD23 LEU B 405 6.999 -6.898 8.082 1.00 0.64 H new ATOM 1790 N LEU B 406 4.580 -6.710 3.425 1.00 0.53 N ATOM 1791 CA LEU B 406 3.442 -7.427 2.787 1.00 0.50 C ATOM 1792 C LEU B 406 3.970 -8.559 1.905 1.00 0.49 C ATOM 1793 O LEU B 406 3.342 -9.588 1.754 1.00 0.45 O ATOM 1794 CB LEU B 406 2.729 -6.366 1.945 1.00 0.57 C ATOM 1795 CG LEU B 406 1.244 -6.720 1.831 1.00 0.59 C ATOM 1796 CD1 LEU B 406 0.611 -6.725 3.224 1.00 0.94 C ATOM 1797 CD2 LEU B 406 0.535 -5.683 0.959 1.00 1.02 C ATOM 0 H LEU B 406 4.850 -5.838 2.970 1.00 0.53 H new ATOM 0 HA LEU B 406 2.770 -7.880 3.516 1.00 0.50 H new ATOM 0 HB2 LEU B 406 2.846 -5.384 2.403 1.00 0.57 H new ATOM 0 HB3 LEU B 406 3.178 -6.311 0.953 1.00 0.57 H new ATOM 0 HG LEU B 406 1.143 -7.707 1.379 1.00 0.59 H new ATOM 0 HD11 LEU B 406 -0.446 -6.977 3.142 1.00 0.94 H new ATOM 0 HD12 LEU B 406 1.113 -7.464 3.849 1.00 0.94 H new ATOM 0 HD13 LEU B 406 0.715 -5.738 3.674 1.00 0.94 H new ATOM 0 HD21 LEU B 406 -0.522 -5.937 0.879 1.00 1.02 H new ATOM 0 HD22 LEU B 406 0.638 -4.696 1.410 1.00 1.02 H new ATOM 0 HD23 LEU B 406 0.983 -5.676 -0.035 1.00 1.02 H new ATOM 1809 N ALA B 407 5.127 -8.379 1.328 1.00 0.56 N ATOM 1810 CA ALA B 407 5.700 -9.449 0.463 1.00 0.59 C ATOM 1811 C ALA B 407 6.158 -10.624 1.331 1.00 0.57 C ATOM 1812 O ALA B 407 5.995 -11.774 0.974 1.00 0.61 O ATOM 1813 CB ALA B 407 6.895 -8.799 -0.235 1.00 0.70 C ATOM 0 H ALA B 407 5.699 -7.539 1.418 1.00 0.56 H new ATOM 0 HA ALA B 407 4.977 -9.839 -0.254 1.00 0.59 H new ATOM 0 HB1 ALA B 407 7.372 -9.526 -0.892 1.00 0.70 H new ATOM 0 HB2 ALA B 407 6.554 -7.947 -0.823 1.00 0.70 H new ATOM 0 HB3 ALA B 407 7.612 -8.460 0.512 1.00 0.70 H new ATOM 1819 N GLN B 408 6.727 -10.342 2.472 1.00 0.57 N ATOM 1820 CA GLN B 408 7.192 -11.441 3.366 1.00 0.57 C ATOM 1821 C GLN B 408 6.025 -11.967 4.207 1.00 0.50 C ATOM 1822 O GLN B 408 5.920 -13.148 4.471 1.00 0.50 O ATOM 1823 CB GLN B 408 8.255 -10.803 4.259 1.00 0.62 C ATOM 1824 CG GLN B 408 9.600 -10.809 3.532 1.00 0.75 C ATOM 1825 CD GLN B 408 10.497 -11.898 4.123 1.00 0.78 C ATOM 1826 OE1 GLN B 408 10.982 -12.755 3.411 1.00 1.29 O ATOM 1827 NE2 GLN B 408 10.741 -11.901 5.405 1.00 1.46 N ATOM 0 H GLN B 408 6.890 -9.398 2.823 1.00 0.57 H new ATOM 0 HA GLN B 408 7.587 -12.289 2.808 1.00 0.57 H new ATOM 0 HB2 GLN B 408 7.969 -9.781 4.510 1.00 0.62 H new ATOM 0 HB3 GLN B 408 8.334 -11.352 5.198 1.00 0.62 H new ATOM 0 HG2 GLN B 408 9.449 -10.986 2.467 1.00 0.75 H new ATOM 0 HG3 GLN B 408 10.081 -9.836 3.628 1.00 0.75 H new ATOM 0 HE21 GLN B 408 10.334 -11.182 6.003 1.00 1.46 H new ATOM 0 HE22 GLN B 408 11.338 -12.622 5.809 1.00 1.46 H new ATOM 1836 N TRP B 409 5.143 -11.098 4.625 1.00 0.46 N ATOM 1837 CA TRP B 409 3.981 -11.549 5.445 1.00 0.43 C ATOM 1838 C TRP B 409 3.085 -12.473 4.613 1.00 0.40 C ATOM 1839 O TRP B 409 2.744 -13.562 5.030 1.00 0.41 O ATOM 1840 CB TRP B 409 3.246 -10.256 5.825 1.00 0.43 C ATOM 1841 CG TRP B 409 1.904 -10.573 6.409 1.00 0.42 C ATOM 1842 CD1 TRP B 409 1.692 -11.136 7.621 1.00 0.50 C ATOM 1843 CD2 TRP B 409 0.589 -10.354 5.822 1.00 0.40 C ATOM 1844 NE1 TRP B 409 0.328 -11.280 7.819 1.00 0.53 N ATOM 1845 CE2 TRP B 409 -0.397 -10.814 6.741 1.00 0.47 C ATOM 1846 CE3 TRP B 409 0.155 -9.804 4.588 1.00 0.39 C ATOM 1847 CZ2 TRP B 409 -1.771 -10.732 6.447 1.00 0.50 C ATOM 1848 CZ3 TRP B 409 -1.226 -9.719 4.288 1.00 0.43 C ATOM 1849 CH2 TRP B 409 -2.187 -10.183 5.216 1.00 0.48 C ATOM 0 H TRP B 409 5.177 -10.097 4.434 1.00 0.46 H new ATOM 0 HA TRP B 409 4.278 -12.115 6.328 1.00 0.43 H new ATOM 0 HB2 TRP B 409 3.839 -9.691 6.544 1.00 0.43 H new ATOM 0 HB3 TRP B 409 3.127 -9.625 4.944 1.00 0.43 H new ATOM 0 HD1 TRP B 409 2.462 -11.426 8.321 1.00 0.50 H new ATOM 0 HE1 TRP B 409 -0.089 -11.681 8.659 1.00 0.53 H new ATOM 0 HE3 TRP B 409 0.882 -9.448 3.873 1.00 0.39 H new ATOM 0 HZ2 TRP B 409 -2.502 -11.087 7.159 1.00 0.50 H new ATOM 0 HZ3 TRP B 409 -1.547 -9.298 3.347 1.00 0.43 H new ATOM 0 HH2 TRP B 409 -3.239 -10.117 4.982 1.00 0.48 H new ATOM 1860 N ALA B 410 2.698 -12.046 3.443 1.00 0.42 N ATOM 1861 CA ALA B 410 1.823 -12.902 2.595 1.00 0.44 C ATOM 1862 C ALA B 410 2.459 -14.280 2.401 1.00 0.45 C ATOM 1863 O ALA B 410 1.780 -15.283 2.340 1.00 0.47 O ATOM 1864 CB ALA B 410 1.718 -12.165 1.260 1.00 0.51 C ATOM 0 H ALA B 410 2.949 -11.144 3.039 1.00 0.42 H new ATOM 0 HA ALA B 410 0.844 -13.066 3.046 1.00 0.44 H new ATOM 0 HB1 ALA B 410 1.087 -12.735 0.578 1.00 0.51 H new ATOM 0 HB2 ALA B 410 1.280 -11.180 1.422 1.00 0.51 H new ATOM 0 HB3 ALA B 410 2.712 -12.054 0.827 1.00 0.51 H new ATOM 1870 N ASP B 411 3.759 -14.335 2.308 1.00 0.48 N ATOM 1871 CA ASP B 411 4.440 -15.647 2.123 1.00 0.53 C ATOM 1872 C ASP B 411 4.383 -16.456 3.420 1.00 0.53 C ATOM 1873 O ASP B 411 3.979 -17.602 3.430 1.00 0.58 O ATOM 1874 CB ASP B 411 5.887 -15.296 1.772 1.00 0.60 C ATOM 1875 CG ASP B 411 6.553 -16.494 1.092 1.00 1.03 C ATOM 1876 OD1 ASP B 411 5.836 -17.311 0.540 1.00 1.51 O ATOM 1877 OD2 ASP B 411 7.770 -16.572 1.134 1.00 1.78 O ATOM 0 H ASP B 411 4.380 -13.527 2.352 1.00 0.48 H new ATOM 0 HA ASP B 411 3.969 -16.253 1.349 1.00 0.53 H new ATOM 0 HB2 ASP B 411 5.912 -14.429 1.111 1.00 0.60 H new ATOM 0 HB3 ASP B 411 6.436 -15.025 2.674 1.00 0.60 H new ATOM 1882 N ARG B 412 4.779 -15.870 4.518 1.00 0.52 N ATOM 1883 CA ARG B 412 4.741 -16.610 5.812 1.00 0.56 C ATOM 1884 C ARG B 412 3.307 -17.047 6.117 1.00 0.55 C ATOM 1885 O ARG B 412 3.046 -18.192 6.428 1.00 0.63 O ATOM 1886 CB ARG B 412 5.232 -15.610 6.858 1.00 0.58 C ATOM 1887 CG ARG B 412 6.669 -15.952 7.257 1.00 0.96 C ATOM 1888 CD ARG B 412 6.902 -15.558 8.718 1.00 1.50 C ATOM 1889 NE ARG B 412 7.601 -16.726 9.324 1.00 1.90 N ATOM 1890 CZ ARG B 412 8.858 -16.630 9.661 1.00 2.41 C ATOM 1891 NH1 ARG B 412 9.729 -16.169 8.806 1.00 3.02 N ATOM 1892 NH2 ARG B 412 9.243 -16.996 10.853 1.00 2.89 N ATOM 0 H ARG B 412 5.126 -14.913 4.575 1.00 0.52 H new ATOM 0 HA ARG B 412 5.356 -17.510 5.795 1.00 0.56 H new ATOM 0 HB2 ARG B 412 5.186 -14.597 6.458 1.00 0.58 H new ATOM 0 HB3 ARG B 412 4.584 -15.637 7.734 1.00 0.58 H new ATOM 0 HG2 ARG B 412 6.850 -17.018 7.124 1.00 0.96 H new ATOM 0 HG3 ARG B 412 7.372 -15.426 6.611 1.00 0.96 H new ATOM 0 HD2 ARG B 412 7.507 -14.654 8.792 1.00 1.50 H new ATOM 0 HD3 ARG B 412 5.960 -15.354 9.227 1.00 1.50 H new ATOM 0 HE ARG B 412 7.097 -17.600 9.475 1.00 1.90 H new ATOM 0 HH11 ARG B 412 9.427 -15.884 7.874 1.00 3.02 H new ATOM 0 HH12 ARG B 412 10.712 -16.094 9.069 1.00 3.02 H new ATOM 0 HH21 ARG B 412 8.562 -17.357 11.521 1.00 2.89 H new ATOM 0 HH22 ARG B 412 10.225 -16.921 11.117 1.00 2.89 H new ATOM 1906 N ALA B 413 2.379 -16.140 6.020 1.00 0.50 N ATOM 1907 CA ALA B 413 0.955 -16.489 6.292 1.00 0.53 C ATOM 1908 C ALA B 413 0.452 -17.482 5.242 1.00 0.57 C ATOM 1909 O ALA B 413 -0.490 -18.215 5.465 1.00 0.66 O ATOM 1910 CB ALA B 413 0.199 -15.164 6.185 1.00 0.53 C ATOM 0 H ALA B 413 2.544 -15.167 5.763 1.00 0.50 H new ATOM 0 HA ALA B 413 0.818 -16.958 7.266 1.00 0.53 H new ATOM 0 HB1 ALA B 413 -0.861 -15.334 6.373 1.00 0.53 H new ATOM 0 HB2 ALA B 413 0.590 -14.462 6.921 1.00 0.53 H new ATOM 0 HB3 ALA B 413 0.329 -14.751 5.185 1.00 0.53 H new ATOM 1916 N LEU B 414 1.083 -17.513 4.100 1.00 0.54 N ATOM 1917 CA LEU B 414 0.662 -18.452 3.031 1.00 0.62 C ATOM 1918 C LEU B 414 1.234 -19.846 3.318 1.00 0.71 C ATOM 1919 O LEU B 414 0.565 -20.848 3.160 1.00 0.82 O ATOM 1920 CB LEU B 414 1.242 -17.825 1.757 1.00 0.63 C ATOM 1921 CG LEU B 414 1.410 -18.850 0.632 1.00 0.71 C ATOM 1922 CD1 LEU B 414 2.723 -19.600 0.842 1.00 1.11 C ATOM 1923 CD2 LEU B 414 0.238 -19.845 0.596 1.00 1.03 C ATOM 0 H LEU B 414 1.879 -16.921 3.863 1.00 0.54 H new ATOM 0 HA LEU B 414 -0.416 -18.590 2.951 1.00 0.62 H new ATOM 0 HB2 LEU B 414 0.587 -17.022 1.419 1.00 0.63 H new ATOM 0 HB3 LEU B 414 2.209 -17.375 1.983 1.00 0.63 H new ATOM 0 HG LEU B 414 1.423 -18.323 -0.322 1.00 0.71 H new ATOM 0 HD11 LEU B 414 2.854 -20.334 0.047 1.00 1.11 H new ATOM 0 HD12 LEU B 414 3.553 -18.893 0.824 1.00 1.11 H new ATOM 0 HD13 LEU B 414 2.701 -20.110 1.805 1.00 1.11 H new ATOM 0 HD21 LEU B 414 0.391 -20.558 -0.215 1.00 1.03 H new ATOM 0 HD22 LEU B 414 0.185 -20.380 1.544 1.00 1.03 H new ATOM 0 HD23 LEU B 414 -0.694 -19.304 0.433 1.00 1.03 H new ATOM 1935 N ARG B 415 2.464 -19.917 3.745 1.00 0.73 N ATOM 1936 CA ARG B 415 3.075 -21.242 4.046 1.00 0.87 C ATOM 1937 C ARG B 415 2.717 -21.677 5.471 1.00 0.93 C ATOM 1938 O ARG B 415 3.575 -22.028 6.257 1.00 1.26 O ATOM 1939 CB ARG B 415 4.581 -21.021 3.915 1.00 1.02 C ATOM 1940 CG ARG B 415 5.296 -22.374 3.890 1.00 1.40 C ATOM 1941 CD ARG B 415 6.790 -22.165 4.145 1.00 1.61 C ATOM 1942 NE ARG B 415 6.879 -21.719 5.563 1.00 2.27 N ATOM 1943 CZ ARG B 415 8.027 -21.737 6.182 1.00 2.92 C ATOM 1944 NH1 ARG B 415 8.782 -22.799 6.126 1.00 3.32 N ATOM 1945 NH2 ARG B 415 8.420 -20.692 6.859 1.00 3.70 N ATOM 0 H ARG B 415 3.073 -19.114 3.899 1.00 0.73 H new ATOM 0 HA ARG B 415 2.718 -22.024 3.376 1.00 0.87 H new ATOM 0 HB2 ARG B 415 4.800 -20.465 3.003 1.00 1.02 H new ATOM 0 HB3 ARG B 415 4.945 -20.421 4.749 1.00 1.02 H new ATOM 0 HG2 ARG B 415 4.875 -23.034 4.649 1.00 1.40 H new ATOM 0 HG3 ARG B 415 5.145 -22.860 2.926 1.00 1.40 H new ATOM 0 HD2 ARG B 415 7.351 -23.086 3.985 1.00 1.61 H new ATOM 0 HD3 ARG B 415 7.205 -21.417 3.469 1.00 1.61 H new ATOM 0 HE ARG B 415 6.042 -21.399 6.050 1.00 2.27 H new ATOM 0 HH11 ARG B 415 8.475 -23.616 5.598 1.00 3.32 H new ATOM 0 HH12 ARG B 415 9.680 -22.813 6.610 1.00 3.32 H new ATOM 0 HH21 ARG B 415 7.829 -19.862 6.904 1.00 3.70 H new ATOM 0 HH22 ARG B 415 9.318 -20.706 7.343 1.00 3.70 H new ATOM 1959 N SER B 416 1.457 -21.657 5.808 1.00 0.90 N ATOM 1960 CA SER B 416 1.045 -22.068 7.181 1.00 0.99 C ATOM 1961 C SER B 416 -0.482 -22.156 7.270 1.00 0.99 C ATOM 1962 O SER B 416 -1.041 -23.215 7.475 1.00 1.63 O ATOM 1963 CB SER B 416 1.571 -20.967 8.099 1.00 1.20 C ATOM 1964 OG SER B 416 2.233 -21.557 9.210 1.00 1.70 O ATOM 0 H SER B 416 0.694 -21.374 5.193 1.00 0.90 H new ATOM 0 HA SER B 416 1.437 -23.048 7.454 1.00 0.99 H new ATOM 0 HB2 SER B 416 2.258 -20.320 7.553 1.00 1.20 H new ATOM 0 HB3 SER B 416 0.748 -20.340 8.442 1.00 1.20 H new ATOM 0 HG SER B 416 2.573 -20.852 9.800 1.00 1.70 H new ATOM 1970 N GLY B 417 -1.158 -21.051 7.120 1.00 1.06 N ATOM 1971 CA GLY B 417 -2.646 -21.071 7.196 1.00 1.06 C ATOM 1972 C GLY B 417 -3.193 -19.684 6.854 1.00 0.99 C ATOM 1973 O GLY B 417 -3.826 -19.039 7.666 1.00 1.31 O ATOM 0 H GLY B 417 -0.744 -20.135 6.948 1.00 1.06 H new ATOM 0 HA2 GLY B 417 -3.046 -21.812 6.504 1.00 1.06 H new ATOM 0 HA3 GLY B 417 -2.966 -21.363 8.196 1.00 1.06 H new ATOM 1977 N HIS B 418 -2.956 -19.220 5.658 1.00 0.78 N ATOM 1978 CA HIS B 418 -3.463 -17.875 5.267 1.00 0.88 C ATOM 1979 C HIS B 418 -4.994 -17.864 5.265 1.00 0.89 C ATOM 1980 O HIS B 418 -5.635 -18.896 5.238 1.00 1.17 O ATOM 1981 CB HIS B 418 -2.926 -17.637 3.855 1.00 1.01 C ATOM 1982 CG HIS B 418 -3.344 -18.768 2.956 1.00 1.69 C ATOM 1983 ND1 HIS B 418 -2.532 -19.868 2.724 1.00 2.18 N ATOM 1984 CD2 HIS B 418 -4.486 -18.985 2.224 1.00 2.31 C ATOM 1985 CE1 HIS B 418 -3.190 -20.688 1.884 1.00 2.86 C ATOM 1986 NE2 HIS B 418 -4.386 -20.197 1.548 1.00 2.97 N ATOM 0 H HIS B 418 -2.433 -19.714 4.935 1.00 0.78 H new ATOM 0 HA HIS B 418 -3.140 -17.099 5.961 1.00 0.88 H new ATOM 0 HB2 HIS B 418 -3.305 -16.692 3.466 1.00 1.01 H new ATOM 0 HB3 HIS B 418 -1.839 -17.560 3.877 1.00 1.01 H new ATOM 0 HD2 HIS B 418 -5.333 -18.316 2.180 1.00 2.31 H new ATOM 0 HE1 HIS B 418 -2.799 -21.629 1.525 1.00 2.86 H new ATOM 0 HE2 HIS B 418 -5.078 -20.620 0.929 1.00 2.97 H new ATOM 1994 N GLN B 419 -5.582 -16.701 5.292 1.00 1.08 N ATOM 1995 CA GLN B 419 -7.067 -16.608 5.290 1.00 1.24 C ATOM 1996 C GLN B 419 -7.492 -15.202 4.861 1.00 1.03 C ATOM 1997 O GLN B 419 -7.920 -14.986 3.745 1.00 1.28 O ATOM 1998 CB GLN B 419 -7.482 -16.880 6.737 1.00 1.71 C ATOM 1999 CG GLN B 419 -8.333 -18.150 6.797 1.00 2.32 C ATOM 2000 CD GLN B 419 -8.854 -18.348 8.224 1.00 2.91 C ATOM 2001 OE1 GLN B 419 -9.962 -17.962 8.537 1.00 3.29 O ATOM 2002 NE2 GLN B 419 -8.094 -18.937 9.106 1.00 3.52 N ATOM 0 H GLN B 419 -5.094 -15.806 5.316 1.00 1.08 H new ATOM 0 HA GLN B 419 -7.532 -17.311 4.599 1.00 1.24 H new ATOM 0 HB2 GLN B 419 -6.598 -16.993 7.364 1.00 1.71 H new ATOM 0 HB3 GLN B 419 -8.046 -16.034 7.129 1.00 1.71 H new ATOM 0 HG2 GLN B 419 -9.168 -18.074 6.101 1.00 2.32 H new ATOM 0 HG3 GLN B 419 -7.741 -19.012 6.492 1.00 2.32 H new ATOM 0 HE21 GLN B 419 -7.163 -19.261 8.842 1.00 3.52 H new ATOM 0 HE22 GLN B 419 -8.430 -19.074 10.059 1.00 3.52 H new ATOM 2011 N ASN B 420 -7.366 -14.246 5.738 1.00 0.78 N ATOM 2012 CA ASN B 420 -7.751 -12.852 5.384 1.00 0.70 C ATOM 2013 C ASN B 420 -6.543 -12.116 4.797 1.00 0.58 C ATOM 2014 O ASN B 420 -6.236 -11.005 5.180 1.00 0.70 O ATOM 2015 CB ASN B 420 -8.183 -12.212 6.702 1.00 0.86 C ATOM 2016 CG ASN B 420 -9.707 -12.264 6.820 1.00 1.35 C ATOM 2017 OD1 ASN B 420 -10.405 -12.284 5.826 1.00 1.96 O ATOM 2018 ND2 ASN B 420 -10.256 -12.287 8.003 1.00 1.87 N ATOM 0 H ASN B 420 -7.012 -14.370 6.687 1.00 0.78 H new ATOM 0 HA ASN B 420 -8.545 -12.814 4.639 1.00 0.70 H new ATOM 0 HB2 ASN B 420 -7.725 -12.737 7.540 1.00 0.86 H new ATOM 0 HB3 ASN B 420 -7.839 -11.179 6.746 1.00 0.86 H new ATOM 0 HD21 ASN B 420 -11.271 -12.322 8.093 1.00 1.87 H new ATOM 0 HD22 ASN B 420 -9.670 -12.270 8.838 1.00 1.87 H new ATOM 2025 N LEU B 421 -5.854 -12.729 3.873 1.00 0.45 N ATOM 2026 CA LEU B 421 -4.662 -12.069 3.268 1.00 0.40 C ATOM 2027 C LEU B 421 -5.022 -10.666 2.771 1.00 0.39 C ATOM 2028 O LEU B 421 -4.494 -9.676 3.239 1.00 0.53 O ATOM 2029 CB LEU B 421 -4.266 -12.965 2.095 1.00 0.42 C ATOM 2030 CG LEU B 421 -3.083 -13.846 2.501 1.00 0.39 C ATOM 2031 CD1 LEU B 421 -2.983 -15.040 1.552 1.00 0.50 C ATOM 2032 CD2 LEU B 421 -1.791 -13.028 2.427 1.00 0.41 C ATOM 0 H LEU B 421 -6.065 -13.659 3.511 1.00 0.45 H new ATOM 0 HA LEU B 421 -3.851 -11.951 3.986 1.00 0.40 H new ATOM 0 HB2 LEU B 421 -5.110 -13.587 1.797 1.00 0.42 H new ATOM 0 HB3 LEU B 421 -3.999 -12.355 1.232 1.00 0.42 H new ATOM 0 HG LEU B 421 -3.231 -14.205 3.520 1.00 0.39 H new ATOM 0 HD11 LEU B 421 -2.140 -15.666 1.843 1.00 0.50 H new ATOM 0 HD12 LEU B 421 -3.903 -15.623 1.603 1.00 0.50 H new ATOM 0 HD13 LEU B 421 -2.835 -14.683 0.533 1.00 0.50 H new ATOM 0 HD21 LEU B 421 -0.947 -13.654 2.716 1.00 0.41 H new ATOM 0 HD22 LEU B 421 -1.645 -12.670 1.408 1.00 0.41 H new ATOM 0 HD23 LEU B 421 -1.860 -12.177 3.104 1.00 0.41 H new ATOM 2044 N LEU B 422 -5.913 -10.573 1.824 1.00 0.33 N ATOM 2045 CA LEU B 422 -6.303 -9.236 1.295 1.00 0.34 C ATOM 2046 C LEU B 422 -7.279 -8.545 2.250 1.00 0.34 C ATOM 2047 O LEU B 422 -7.347 -7.334 2.312 1.00 0.37 O ATOM 2048 CB LEU B 422 -6.978 -9.525 -0.047 1.00 0.37 C ATOM 2049 CG LEU B 422 -5.936 -9.472 -1.163 1.00 0.38 C ATOM 2050 CD1 LEU B 422 -6.499 -10.131 -2.423 1.00 0.59 C ATOM 2051 CD2 LEU B 422 -5.589 -8.012 -1.463 1.00 0.63 C ATOM 0 H LEU B 422 -6.389 -11.366 1.393 1.00 0.33 H new ATOM 0 HA LEU B 422 -5.446 -8.571 1.188 1.00 0.34 H new ATOM 0 HB2 LEU B 422 -7.452 -10.506 -0.024 1.00 0.37 H new ATOM 0 HB3 LEU B 422 -7.765 -8.795 -0.235 1.00 0.37 H new ATOM 0 HG LEU B 422 -5.039 -10.004 -0.848 1.00 0.38 H new ATOM 0 HD11 LEU B 422 -5.754 -10.092 -3.218 1.00 0.59 H new ATOM 0 HD12 LEU B 422 -6.748 -11.171 -2.210 1.00 0.59 H new ATOM 0 HD13 LEU B 422 -7.397 -9.601 -2.741 1.00 0.59 H new ATOM 0 HD21 LEU B 422 -4.846 -7.971 -2.259 1.00 0.63 H new ATOM 0 HD22 LEU B 422 -6.488 -7.482 -1.778 1.00 0.63 H new ATOM 0 HD23 LEU B 422 -5.186 -7.542 -0.566 1.00 0.63 H new ATOM 2063 N SER B 423 -8.039 -9.303 2.989 1.00 0.35 N ATOM 2064 CA SER B 423 -9.016 -8.687 3.934 1.00 0.38 C ATOM 2065 C SER B 423 -8.292 -8.029 5.114 1.00 0.36 C ATOM 2066 O SER B 423 -8.867 -7.246 5.843 1.00 0.39 O ATOM 2067 CB SER B 423 -9.879 -9.849 4.422 1.00 0.44 C ATOM 2068 OG SER B 423 -10.908 -10.102 3.474 1.00 1.23 O ATOM 0 H SER B 423 -8.027 -10.323 2.981 1.00 0.35 H new ATOM 0 HA SER B 423 -9.606 -7.906 3.455 1.00 0.38 H new ATOM 0 HB2 SER B 423 -9.266 -10.740 4.557 1.00 0.44 H new ATOM 0 HB3 SER B 423 -10.314 -9.611 5.393 1.00 0.44 H new ATOM 0 HG SER B 423 -11.462 -10.848 3.784 1.00 1.23 H new ATOM 2074 N GLU B 424 -7.040 -8.340 5.315 1.00 0.34 N ATOM 2075 CA GLU B 424 -6.299 -7.727 6.455 1.00 0.36 C ATOM 2076 C GLU B 424 -5.687 -6.385 6.040 1.00 0.32 C ATOM 2077 O GLU B 424 -5.836 -5.388 6.718 1.00 0.33 O ATOM 2078 CB GLU B 424 -5.203 -8.735 6.807 1.00 0.38 C ATOM 2079 CG GLU B 424 -5.669 -9.607 7.975 1.00 0.57 C ATOM 2080 CD GLU B 424 -4.673 -10.746 8.196 1.00 0.81 C ATOM 2081 OE1 GLU B 424 -4.845 -11.787 7.582 1.00 1.54 O ATOM 2082 OE2 GLU B 424 -3.753 -10.558 8.975 1.00 1.22 O ATOM 0 H GLU B 424 -6.500 -8.989 4.742 1.00 0.34 H new ATOM 0 HA GLU B 424 -6.951 -7.523 7.304 1.00 0.36 H new ATOM 0 HB2 GLU B 424 -4.975 -9.358 5.942 1.00 0.38 H new ATOM 0 HB3 GLU B 424 -4.285 -8.212 7.073 1.00 0.38 H new ATOM 0 HG2 GLU B 424 -5.755 -9.005 8.880 1.00 0.57 H new ATOM 0 HG3 GLU B 424 -6.659 -10.012 7.767 1.00 0.57 H new ATOM 2089 N ALA B 425 -4.998 -6.350 4.933 1.00 0.31 N ATOM 2090 CA ALA B 425 -4.379 -5.070 4.480 1.00 0.29 C ATOM 2091 C ALA B 425 -5.410 -4.202 3.750 1.00 0.28 C ATOM 2092 O ALA B 425 -5.212 -3.018 3.559 1.00 0.28 O ATOM 2093 CB ALA B 425 -3.262 -5.489 3.524 1.00 0.29 C ATOM 0 H ALA B 425 -4.836 -7.151 4.322 1.00 0.31 H new ATOM 0 HA ALA B 425 -4.005 -4.478 5.315 1.00 0.29 H new ATOM 0 HB1 ALA B 425 -2.755 -4.601 3.145 1.00 0.29 H new ATOM 0 HB2 ALA B 425 -2.546 -6.117 4.054 1.00 0.29 H new ATOM 0 HB3 ALA B 425 -3.687 -6.048 2.690 1.00 0.29 H new ATOM 2099 N GLN B 426 -6.505 -4.781 3.337 1.00 0.30 N ATOM 2100 CA GLN B 426 -7.542 -3.988 2.614 1.00 0.31 C ATOM 2101 C GLN B 426 -7.938 -2.738 3.416 1.00 0.30 C ATOM 2102 O GLN B 426 -7.845 -1.635 2.915 1.00 0.30 O ATOM 2103 CB GLN B 426 -8.739 -4.931 2.476 1.00 0.36 C ATOM 2104 CG GLN B 426 -8.831 -5.431 1.034 1.00 0.45 C ATOM 2105 CD GLN B 426 -9.968 -6.447 0.915 1.00 0.53 C ATOM 2106 OE1 GLN B 426 -9.763 -7.630 1.098 1.00 1.23 O ATOM 2107 NE2 GLN B 426 -11.169 -6.032 0.615 1.00 1.09 N ATOM 0 H GLN B 426 -6.727 -5.768 3.469 1.00 0.30 H new ATOM 0 HA GLN B 426 -7.178 -3.636 1.649 1.00 0.31 H new ATOM 0 HB2 GLN B 426 -8.632 -5.774 3.158 1.00 0.36 H new ATOM 0 HB3 GLN B 426 -9.657 -4.413 2.752 1.00 0.36 H new ATOM 0 HG2 GLN B 426 -9.006 -4.594 0.359 1.00 0.45 H new ATOM 0 HG3 GLN B 426 -7.888 -5.889 0.736 1.00 0.45 H new ATOM 0 HE21 GLN B 426 -11.342 -5.039 0.461 1.00 1.09 H new ATOM 0 HE22 GLN B 426 -11.935 -6.701 0.534 1.00 1.09 H new ATOM 2116 N PRO B 427 -8.379 -2.947 4.633 1.00 0.32 N ATOM 2117 CA PRO B 427 -8.800 -1.805 5.485 1.00 0.34 C ATOM 2118 C PRO B 427 -7.589 -0.973 5.913 1.00 0.31 C ATOM 2119 O PRO B 427 -7.701 0.205 6.187 1.00 0.35 O ATOM 2120 CB PRO B 427 -9.460 -2.476 6.688 1.00 0.39 C ATOM 2121 CG PRO B 427 -8.856 -3.841 6.746 1.00 0.38 C ATOM 2122 CD PRO B 427 -8.525 -4.234 5.330 1.00 0.35 C ATOM 0 HA PRO B 427 -9.468 -1.114 4.971 1.00 0.34 H new ATOM 0 HB2 PRO B 427 -9.268 -1.920 7.605 1.00 0.39 H new ATOM 0 HB3 PRO B 427 -10.542 -2.528 6.567 1.00 0.39 H new ATOM 0 HG2 PRO B 427 -7.960 -3.840 7.366 1.00 0.38 H new ATOM 0 HG3 PRO B 427 -9.551 -4.552 7.192 1.00 0.38 H new ATOM 0 HD2 PRO B 427 -7.608 -4.821 5.282 1.00 0.35 H new ATOM 0 HD3 PRO B 427 -9.315 -4.841 4.888 1.00 0.35 H new ATOM 2130 N GLU B 428 -6.432 -1.571 5.968 1.00 0.29 N ATOM 2131 CA GLU B 428 -5.221 -0.803 6.374 1.00 0.29 C ATOM 2132 C GLU B 428 -4.973 0.341 5.387 1.00 0.27 C ATOM 2133 O GLU B 428 -4.724 1.465 5.775 1.00 0.32 O ATOM 2134 CB GLU B 428 -4.073 -1.812 6.328 1.00 0.29 C ATOM 2135 CG GLU B 428 -3.381 -1.863 7.693 1.00 0.71 C ATOM 2136 CD GLU B 428 -3.266 -3.318 8.153 1.00 1.36 C ATOM 2137 OE1 GLU B 428 -3.009 -4.165 7.314 1.00 2.11 O ATOM 2138 OE2 GLU B 428 -3.437 -3.559 9.336 1.00 2.07 O ATOM 0 H GLU B 428 -6.272 -2.555 5.750 1.00 0.29 H new ATOM 0 HA GLU B 428 -5.326 -0.356 7.363 1.00 0.29 H new ATOM 0 HB2 GLU B 428 -4.453 -2.799 6.064 1.00 0.29 H new ATOM 0 HB3 GLU B 428 -3.357 -1.529 5.556 1.00 0.29 H new ATOM 0 HG2 GLU B 428 -2.391 -1.412 7.628 1.00 0.71 H new ATOM 0 HG3 GLU B 428 -3.948 -1.284 8.422 1.00 0.71 H new ATOM 2145 N LEU B 429 -5.046 0.065 4.114 1.00 0.25 N ATOM 2146 CA LEU B 429 -4.822 1.139 3.103 1.00 0.26 C ATOM 2147 C LEU B 429 -6.013 2.100 3.096 1.00 0.25 C ATOM 2148 O LEU B 429 -5.852 3.305 3.099 1.00 0.28 O ATOM 2149 CB LEU B 429 -4.707 0.404 1.764 1.00 0.26 C ATOM 2150 CG LEU B 429 -4.626 1.418 0.619 1.00 0.29 C ATOM 2151 CD1 LEU B 429 -3.213 1.420 0.034 1.00 0.45 C ATOM 2152 CD2 LEU B 429 -5.623 1.030 -0.474 1.00 0.56 C ATOM 0 H LEU B 429 -5.251 -0.857 3.729 1.00 0.25 H new ATOM 0 HA LEU B 429 -3.933 1.734 3.312 1.00 0.26 H new ATOM 0 HB2 LEU B 429 -3.821 -0.231 1.763 1.00 0.26 H new ATOM 0 HB3 LEU B 429 -5.568 -0.250 1.623 1.00 0.26 H new ATOM 0 HG LEU B 429 -4.864 2.412 0.999 1.00 0.29 H new ATOM 0 HD11 LEU B 429 -3.157 2.142 -0.781 1.00 0.45 H new ATOM 0 HD12 LEU B 429 -2.498 1.693 0.810 1.00 0.45 H new ATOM 0 HD13 LEU B 429 -2.975 0.426 -0.345 1.00 0.45 H new ATOM 0 HD21 LEU B 429 -5.567 1.751 -1.290 1.00 0.56 H new ATOM 0 HD22 LEU B 429 -5.382 0.036 -0.850 1.00 0.56 H new ATOM 0 HD23 LEU B 429 -6.632 1.027 -0.062 1.00 0.56 H new ATOM 2164 N GLU B 430 -7.208 1.577 3.088 1.00 0.26 N ATOM 2165 CA GLU B 430 -8.409 2.461 3.082 1.00 0.28 C ATOM 2166 C GLU B 430 -8.392 3.383 4.304 1.00 0.30 C ATOM 2167 O GLU B 430 -8.803 4.524 4.238 1.00 0.33 O ATOM 2168 CB GLU B 430 -9.601 1.506 3.150 1.00 0.30 C ATOM 2169 CG GLU B 430 -10.637 1.908 2.097 1.00 0.61 C ATOM 2170 CD GLU B 430 -10.485 1.016 0.863 1.00 1.45 C ATOM 2171 OE1 GLU B 430 -9.360 0.667 0.544 1.00 2.17 O ATOM 2172 OE2 GLU B 430 -11.495 0.698 0.259 1.00 2.05 O ATOM 0 H GLU B 430 -7.405 0.576 3.085 1.00 0.26 H new ATOM 0 HA GLU B 430 -8.447 3.101 2.201 1.00 0.28 H new ATOM 0 HB2 GLU B 430 -9.270 0.482 2.978 1.00 0.30 H new ATOM 0 HB3 GLU B 430 -10.047 1.534 4.144 1.00 0.30 H new ATOM 0 HG2 GLU B 430 -11.643 1.812 2.506 1.00 0.61 H new ATOM 0 HG3 GLU B 430 -10.503 2.954 1.821 1.00 0.61 H new ATOM 2179 N ARG B 431 -7.922 2.896 5.419 1.00 0.33 N ATOM 2180 CA ARG B 431 -7.882 3.744 6.645 1.00 0.37 C ATOM 2181 C ARG B 431 -6.852 4.867 6.483 1.00 0.36 C ATOM 2182 O ARG B 431 -7.180 6.036 6.539 1.00 0.38 O ATOM 2183 CB ARG B 431 -7.467 2.795 7.770 1.00 0.41 C ATOM 2184 CG ARG B 431 -7.890 3.385 9.117 1.00 0.59 C ATOM 2185 CD ARG B 431 -7.765 2.315 10.204 1.00 1.32 C ATOM 2186 NE ARG B 431 -6.684 2.806 11.102 1.00 1.56 N ATOM 2187 CZ ARG B 431 -6.688 2.481 12.366 1.00 2.19 C ATOM 2188 NH1 ARG B 431 -7.021 1.272 12.729 1.00 2.78 N ATOM 2189 NH2 ARG B 431 -6.358 3.365 13.268 1.00 2.87 N ATOM 0 H ARG B 431 -7.564 1.948 5.535 1.00 0.33 H new ATOM 0 HA ARG B 431 -8.841 4.221 6.846 1.00 0.37 H new ATOM 0 HB2 ARG B 431 -7.931 1.819 7.627 1.00 0.41 H new ATOM 0 HB3 ARG B 431 -6.388 2.641 7.751 1.00 0.41 H new ATOM 0 HG2 ARG B 431 -7.265 4.243 9.363 1.00 0.59 H new ATOM 0 HG3 ARG B 431 -8.917 3.745 9.062 1.00 0.59 H new ATOM 0 HD2 ARG B 431 -8.703 2.191 10.746 1.00 1.32 H new ATOM 0 HD3 ARG B 431 -7.513 1.345 9.776 1.00 1.32 H new ATOM 0 HE ARG B 431 -5.940 3.396 10.729 1.00 1.56 H new ATOM 0 HH11 ARG B 431 -7.278 0.581 12.025 1.00 2.78 H new ATOM 0 HH12 ARG B 431 -7.024 1.019 13.717 1.00 2.78 H new ATOM 0 HH21 ARG B 431 -6.097 4.310 12.985 1.00 2.87 H new ATOM 0 HH22 ARG B 431 -6.361 3.111 14.256 1.00 2.87 H new ATOM 2203 N THR B 432 -5.610 4.522 6.285 1.00 0.41 N ATOM 2204 CA THR B 432 -4.560 5.569 6.123 1.00 0.45 C ATOM 2205 C THR B 432 -4.970 6.573 5.042 1.00 0.40 C ATOM 2206 O THR B 432 -4.551 7.714 5.051 1.00 0.56 O ATOM 2207 CB THR B 432 -3.303 4.809 5.699 1.00 0.53 C ATOM 2208 OG1 THR B 432 -2.916 3.921 6.738 1.00 0.61 O ATOM 2209 CG2 THR B 432 -2.174 5.801 5.424 1.00 0.62 C ATOM 0 H THR B 432 -5.276 3.560 6.228 1.00 0.41 H new ATOM 0 HA THR B 432 -4.403 6.138 7.039 1.00 0.45 H new ATOM 0 HB THR B 432 -3.510 4.239 4.793 1.00 0.53 H new ATOM 0 HG1 THR B 432 -3.343 3.050 6.600 1.00 0.61 H new ATOM 0 HG21 THR B 432 -1.278 5.258 5.122 1.00 0.62 H new ATOM 0 HG22 THR B 432 -2.473 6.481 4.626 1.00 0.62 H new ATOM 0 HG23 THR B 432 -1.964 6.373 6.328 1.00 0.62 H new ATOM 2217 N LEU B 433 -5.784 6.161 4.109 1.00 0.33 N ATOM 2218 CA LEU B 433 -6.214 7.095 3.029 1.00 0.30 C ATOM 2219 C LEU B 433 -7.416 7.922 3.492 1.00 0.27 C ATOM 2220 O LEU B 433 -7.366 9.136 3.537 1.00 0.25 O ATOM 2221 CB LEU B 433 -6.603 6.194 1.856 1.00 0.37 C ATOM 2222 CG LEU B 433 -5.938 6.706 0.577 1.00 0.42 C ATOM 2223 CD1 LEU B 433 -6.389 8.142 0.306 1.00 0.41 C ATOM 2224 CD2 LEU B 433 -4.417 6.671 0.745 1.00 0.44 C ATOM 0 H LEU B 433 -6.170 5.219 4.047 1.00 0.33 H new ATOM 0 HA LEU B 433 -5.429 7.801 2.758 1.00 0.30 H new ATOM 0 HB2 LEU B 433 -6.294 5.168 2.054 1.00 0.37 H new ATOM 0 HB3 LEU B 433 -7.686 6.183 1.736 1.00 0.37 H new ATOM 0 HG LEU B 433 -6.226 6.072 -0.261 1.00 0.42 H new ATOM 0 HD11 LEU B 433 -5.915 8.506 -0.605 1.00 0.41 H new ATOM 0 HD12 LEU B 433 -7.472 8.167 0.186 1.00 0.41 H new ATOM 0 HD13 LEU B 433 -6.102 8.778 1.144 1.00 0.41 H new ATOM 0 HD21 LEU B 433 -3.942 7.036 -0.166 1.00 0.44 H new ATOM 0 HD22 LEU B 433 -4.129 7.305 1.583 1.00 0.44 H new ATOM 0 HD23 LEU B 433 -4.096 5.647 0.937 1.00 0.44 H new ATOM 2236 N LEU B 434 -8.497 7.276 3.835 1.00 0.32 N ATOM 2237 CA LEU B 434 -9.702 8.027 4.293 1.00 0.32 C ATOM 2238 C LEU B 434 -9.331 8.995 5.419 1.00 0.29 C ATOM 2239 O LEU B 434 -9.792 10.118 5.462 1.00 0.30 O ATOM 2240 CB LEU B 434 -10.667 6.955 4.805 1.00 0.41 C ATOM 2241 CG LEU B 434 -12.097 7.324 4.407 1.00 0.65 C ATOM 2242 CD1 LEU B 434 -12.767 6.122 3.739 1.00 0.84 C ATOM 2243 CD2 LEU B 434 -12.889 7.718 5.656 1.00 1.14 C ATOM 0 H LEU B 434 -8.599 6.261 3.818 1.00 0.32 H new ATOM 0 HA LEU B 434 -10.141 8.625 3.494 1.00 0.32 H new ATOM 0 HB2 LEU B 434 -10.402 5.983 4.389 1.00 0.41 H new ATOM 0 HB3 LEU B 434 -10.590 6.869 5.889 1.00 0.41 H new ATOM 0 HG LEU B 434 -12.075 8.162 3.710 1.00 0.65 H new ATOM 0 HD11 LEU B 434 -13.786 6.385 3.455 1.00 0.84 H new ATOM 0 HD12 LEU B 434 -12.204 5.840 2.849 1.00 0.84 H new ATOM 0 HD13 LEU B 434 -12.789 5.284 4.436 1.00 0.84 H new ATOM 0 HD21 LEU B 434 -13.908 7.981 5.373 1.00 1.14 H new ATOM 0 HD22 LEU B 434 -12.911 6.880 6.352 1.00 1.14 H new ATOM 0 HD23 LEU B 434 -12.413 8.574 6.134 1.00 1.14 H new ATOM 2255 N THR B 435 -8.501 8.570 6.333 1.00 0.34 N ATOM 2256 CA THR B 435 -8.104 9.468 7.455 1.00 0.37 C ATOM 2257 C THR B 435 -7.312 10.664 6.921 1.00 0.35 C ATOM 2258 O THR B 435 -7.574 11.799 7.267 1.00 0.39 O ATOM 2259 CB THR B 435 -7.227 8.605 8.363 1.00 0.45 C ATOM 2260 OG1 THR B 435 -7.905 7.393 8.660 1.00 0.52 O ATOM 2261 CG2 THR B 435 -6.934 9.360 9.661 1.00 0.55 C ATOM 0 H THR B 435 -8.081 7.641 6.351 1.00 0.34 H new ATOM 0 HA THR B 435 -8.966 9.871 7.986 1.00 0.37 H new ATOM 0 HB THR B 435 -6.288 8.382 7.856 1.00 0.45 H new ATOM 0 HG1 THR B 435 -7.496 6.658 8.158 1.00 0.52 H new ATOM 0 HG21 THR B 435 -6.309 8.744 10.307 1.00 0.55 H new ATOM 0 HG22 THR B 435 -6.413 10.290 9.432 1.00 0.55 H new ATOM 0 HG23 THR B 435 -7.871 9.585 10.170 1.00 0.55 H new ATOM 2269 N THR B 436 -6.343 10.420 6.079 1.00 0.33 N ATOM 2270 CA THR B 436 -5.537 11.546 5.527 1.00 0.36 C ATOM 2271 C THR B 436 -6.448 12.560 4.832 1.00 0.36 C ATOM 2272 O THR B 436 -6.594 13.682 5.275 1.00 0.40 O ATOM 2273 CB THR B 436 -4.588 10.898 4.518 1.00 0.38 C ATOM 2274 OG1 THR B 436 -3.719 10.001 5.195 1.00 0.39 O ATOM 2275 CG2 THR B 436 -3.763 11.981 3.820 1.00 0.49 C ATOM 0 H THR B 436 -6.076 9.492 5.751 1.00 0.33 H new ATOM 0 HA THR B 436 -4.998 12.086 6.305 1.00 0.36 H new ATOM 0 HB THR B 436 -5.168 10.351 3.774 1.00 0.38 H new ATOM 0 HG1 THR B 436 -3.795 9.109 4.797 1.00 0.39 H new ATOM 0 HG21 THR B 436 -3.087 11.517 3.101 1.00 0.49 H new ATOM 0 HG22 THR B 436 -4.430 12.668 3.300 1.00 0.49 H new ATOM 0 HG23 THR B 436 -3.183 12.531 4.561 1.00 0.49 H new ATOM 2283 N ALA B 437 -7.069 12.174 3.748 1.00 0.34 N ATOM 2284 CA ALA B 437 -7.974 13.120 3.032 1.00 0.36 C ATOM 2285 C ALA B 437 -8.971 13.739 4.014 1.00 0.36 C ATOM 2286 O ALA B 437 -9.267 14.915 3.950 1.00 0.41 O ATOM 2287 CB ALA B 437 -8.700 12.266 1.992 1.00 0.35 C ATOM 0 H ALA B 437 -6.989 11.248 3.329 1.00 0.34 H new ATOM 0 HA ALA B 437 -7.430 13.944 2.570 1.00 0.36 H new ATOM 0 HB1 ALA B 437 -9.387 12.892 1.422 1.00 0.35 H new ATOM 0 HB2 ALA B 437 -7.971 11.818 1.316 1.00 0.35 H new ATOM 0 HB3 ALA B 437 -9.260 11.478 2.495 1.00 0.35 H new ATOM 2293 N LEU B 438 -9.483 12.962 4.931 1.00 0.34 N ATOM 2294 CA LEU B 438 -10.446 13.532 5.912 1.00 0.36 C ATOM 2295 C LEU B 438 -9.776 14.679 6.671 1.00 0.42 C ATOM 2296 O LEU B 438 -10.389 15.687 6.954 1.00 0.46 O ATOM 2297 CB LEU B 438 -10.800 12.385 6.867 1.00 0.36 C ATOM 2298 CG LEU B 438 -11.631 12.930 8.037 1.00 0.41 C ATOM 2299 CD1 LEU B 438 -12.867 13.659 7.499 1.00 0.42 C ATOM 2300 CD2 LEU B 438 -12.081 11.774 8.933 1.00 0.45 C ATOM 0 H LEU B 438 -9.278 11.969 5.041 1.00 0.34 H new ATOM 0 HA LEU B 438 -11.339 13.931 5.431 1.00 0.36 H new ATOM 0 HB2 LEU B 438 -11.361 11.616 6.336 1.00 0.36 H new ATOM 0 HB3 LEU B 438 -9.890 11.915 7.241 1.00 0.36 H new ATOM 0 HG LEU B 438 -11.020 13.624 8.614 1.00 0.41 H new ATOM 0 HD11 LEU B 438 -13.454 14.044 8.333 1.00 0.42 H new ATOM 0 HD12 LEU B 438 -12.553 14.487 6.863 1.00 0.42 H new ATOM 0 HD13 LEU B 438 -13.474 12.965 6.918 1.00 0.42 H new ATOM 0 HD21 LEU B 438 -12.671 12.165 9.762 1.00 0.45 H new ATOM 0 HD22 LEU B 438 -12.687 11.079 8.353 1.00 0.45 H new ATOM 0 HD23 LEU B 438 -11.206 11.254 9.323 1.00 0.45 H new ATOM 2312 N ARG B 439 -8.517 14.539 6.994 1.00 0.43 N ATOM 2313 CA ARG B 439 -7.814 15.633 7.725 1.00 0.50 C ATOM 2314 C ARG B 439 -8.032 16.958 6.993 1.00 0.54 C ATOM 2315 O ARG B 439 -8.321 17.973 7.594 1.00 0.60 O ATOM 2316 CB ARG B 439 -6.336 15.242 7.709 1.00 0.52 C ATOM 2317 CG ARG B 439 -5.721 15.517 9.082 1.00 0.77 C ATOM 2318 CD ARG B 439 -4.709 14.418 9.418 1.00 1.27 C ATOM 2319 NE ARG B 439 -3.565 15.129 10.053 1.00 1.73 N ATOM 2320 CZ ARG B 439 -2.342 14.847 9.698 1.00 2.28 C ATOM 2321 NH1 ARG B 439 -1.938 15.108 8.485 1.00 2.89 N ATOM 2322 NH2 ARG B 439 -1.522 14.302 10.554 1.00 2.81 N ATOM 0 H ARG B 439 -7.948 13.719 6.784 1.00 0.43 H new ATOM 0 HA ARG B 439 -8.181 15.761 8.743 1.00 0.50 H new ATOM 0 HB2 ARG B 439 -6.231 14.187 7.456 1.00 0.52 H new ATOM 0 HB3 ARG B 439 -5.807 15.808 6.942 1.00 0.52 H new ATOM 0 HG2 ARG B 439 -5.231 16.491 9.084 1.00 0.77 H new ATOM 0 HG3 ARG B 439 -6.502 15.552 9.842 1.00 0.77 H new ATOM 0 HD2 ARG B 439 -5.139 13.679 10.094 1.00 1.27 H new ATOM 0 HD3 ARG B 439 -4.394 13.884 8.521 1.00 1.27 H new ATOM 0 HE ARG B 439 -3.738 15.837 10.766 1.00 1.73 H new ATOM 0 HH11 ARG B 439 -2.579 15.533 7.814 1.00 2.89 H new ATOM 0 HH12 ARG B 439 -0.982 14.887 8.207 1.00 2.89 H new ATOM 0 HH21 ARG B 439 -1.837 14.096 11.502 1.00 2.81 H new ATOM 0 HH22 ARG B 439 -0.566 14.082 10.275 1.00 2.81 H new ATOM 2336 N HIS B 440 -7.920 16.948 5.690 1.00 0.52 N ATOM 2337 CA HIS B 440 -8.152 18.198 4.915 1.00 0.57 C ATOM 2338 C HIS B 440 -9.545 18.735 5.254 1.00 0.58 C ATOM 2339 O HIS B 440 -9.792 19.923 5.242 1.00 0.64 O ATOM 2340 CB HIS B 440 -8.069 17.772 3.447 1.00 0.55 C ATOM 2341 CG HIS B 440 -8.257 18.974 2.565 1.00 0.63 C ATOM 2342 ND1 HIS B 440 -8.898 19.138 1.363 1.00 1.04 N flip ATOM 2343 CD2 HIS B 440 -7.743 20.219 2.893 1.00 0.82 C flip ATOM 2344 CE1 HIS B 440 -8.788 20.462 0.948 1.00 0.97 C flip ATOM 2345 NE2 HIS B 440 -8.083 21.069 1.906 1.00 0.75 N flip ATOM 0 H HIS B 440 -7.678 16.129 5.132 1.00 0.52 H new ATOM 0 HA HIS B 440 -7.433 18.986 5.138 1.00 0.57 H new ATOM 0 HB2 HIS B 440 -7.104 17.308 3.246 1.00 0.55 H new ATOM 0 HB3 HIS B 440 -8.833 17.025 3.230 1.00 0.55 H new ATOM 0 HD2 HIS B 440 -7.174 20.462 3.778 1.00 0.82 H new ATOM 0 HE1 HIS B 440 -9.187 20.903 0.046 1.00 0.97 H new ATOM 0 HE2 HIS B 440 -7.832 22.058 1.892 1.00 0.75 H new ATOM 2353 N THR B 441 -10.446 17.848 5.582 1.00 0.53 N ATOM 2354 CA THR B 441 -11.827 18.264 5.956 1.00 0.55 C ATOM 2355 C THR B 441 -12.189 17.620 7.298 1.00 0.56 C ATOM 2356 O THR B 441 -13.215 16.984 7.436 1.00 0.55 O ATOM 2357 CB THR B 441 -12.731 17.725 4.842 1.00 0.53 C ATOM 2358 OG1 THR B 441 -12.739 16.305 4.891 1.00 0.48 O ATOM 2359 CG2 THR B 441 -12.210 18.187 3.481 1.00 0.54 C ATOM 0 H THR B 441 -10.281 16.842 5.607 1.00 0.53 H new ATOM 0 HA THR B 441 -11.930 19.344 6.061 1.00 0.55 H new ATOM 0 HB THR B 441 -13.744 18.103 4.983 1.00 0.53 H new ATOM 0 HG1 THR B 441 -13.250 16.008 5.672 1.00 0.48 H new ATOM 0 HG21 THR B 441 -12.857 17.801 2.693 1.00 0.54 H new ATOM 0 HG22 THR B 441 -12.205 19.276 3.444 1.00 0.54 H new ATOM 0 HG23 THR B 441 -11.196 17.814 3.334 1.00 0.54 H new ATOM 2367 N GLN B 442 -11.326 17.765 8.275 1.00 0.59 N ATOM 2368 CA GLN B 442 -11.561 17.155 9.623 1.00 0.62 C ATOM 2369 C GLN B 442 -13.031 17.243 10.046 1.00 0.64 C ATOM 2370 O GLN B 442 -13.622 18.305 10.074 1.00 0.69 O ATOM 2371 CB GLN B 442 -10.688 17.973 10.575 1.00 0.69 C ATOM 2372 CG GLN B 442 -9.870 17.028 11.458 1.00 1.43 C ATOM 2373 CD GLN B 442 -8.625 17.754 11.970 1.00 1.79 C ATOM 2374 OE1 GLN B 442 -8.653 18.369 13.017 1.00 2.16 O ATOM 2375 NE2 GLN B 442 -7.523 17.708 11.270 1.00 2.47 N ATOM 0 H GLN B 442 -10.455 18.289 8.194 1.00 0.59 H new ATOM 0 HA GLN B 442 -11.315 16.093 9.624 1.00 0.62 H new ATOM 0 HB2 GLN B 442 -10.023 18.624 10.007 1.00 0.69 H new ATOM 0 HB3 GLN B 442 -11.312 18.617 11.194 1.00 0.69 H new ATOM 0 HG2 GLN B 442 -10.474 16.684 12.298 1.00 1.43 H new ATOM 0 HG3 GLN B 442 -9.580 16.144 10.891 1.00 1.43 H new ATOM 0 HE21 GLN B 442 -7.499 17.192 10.391 1.00 2.47 H new ATOM 0 HE22 GLN B 442 -6.687 18.188 11.603 1.00 2.47 H new ATOM 2384 N GLY B 443 -13.620 16.126 10.382 1.00 0.63 N ATOM 2385 CA GLY B 443 -15.047 16.130 10.811 1.00 0.66 C ATOM 2386 C GLY B 443 -15.954 15.942 9.594 1.00 0.64 C ATOM 2387 O GLY B 443 -16.885 15.162 9.618 1.00 0.66 O ATOM 0 H GLY B 443 -13.172 15.210 10.377 1.00 0.63 H new ATOM 0 HA2 GLY B 443 -15.222 15.332 11.533 1.00 0.66 H new ATOM 0 HA3 GLY B 443 -15.283 17.069 11.311 1.00 0.66 H new ATOM 2391 N HIS B 444 -15.694 16.651 8.530 1.00 0.62 N ATOM 2392 CA HIS B 444 -16.549 16.510 7.317 1.00 0.62 C ATOM 2393 C HIS B 444 -16.273 15.173 6.624 1.00 0.67 C ATOM 2394 O HIS B 444 -15.729 15.124 5.539 1.00 1.34 O ATOM 2395 CB HIS B 444 -16.148 17.677 6.414 1.00 0.63 C ATOM 2396 CG HIS B 444 -16.701 18.958 6.978 1.00 0.95 C ATOM 2397 ND1 HIS B 444 -17.738 19.647 6.370 1.00 1.52 N ATOM 2398 CD2 HIS B 444 -16.372 19.685 8.095 1.00 1.62 C ATOM 2399 CE1 HIS B 444 -17.995 20.736 7.118 1.00 1.77 C ATOM 2400 NE2 HIS B 444 -17.190 20.807 8.182 1.00 1.86 N ATOM 0 H HIS B 444 -14.929 17.320 8.448 1.00 0.62 H new ATOM 0 HA HIS B 444 -17.612 16.526 7.557 1.00 0.62 H new ATOM 0 HB2 HIS B 444 -15.062 17.738 6.340 1.00 0.63 H new ATOM 0 HB3 HIS B 444 -16.527 17.517 5.405 1.00 0.63 H new ATOM 0 HD1 HIS B 444 -18.219 19.378 5.512 1.00 1.52 H new ATOM 0 HD2 HIS B 444 -15.596 19.425 8.800 1.00 1.62 H new ATOM 0 HE1 HIS B 444 -18.759 21.464 6.886 1.00 1.77 H new ATOM 2408 N LYS B 445 -16.649 14.086 7.242 1.00 0.62 N ATOM 2409 CA LYS B 445 -16.412 12.753 6.615 1.00 0.51 C ATOM 2410 C LYS B 445 -17.032 12.715 5.214 1.00 0.51 C ATOM 2411 O LYS B 445 -16.650 11.922 4.377 1.00 0.57 O ATOM 2412 CB LYS B 445 -17.107 11.750 7.537 1.00 0.62 C ATOM 2413 CG LYS B 445 -16.091 10.716 8.028 1.00 1.31 C ATOM 2414 CD LYS B 445 -16.681 9.940 9.209 1.00 1.56 C ATOM 2415 CE LYS B 445 -15.581 9.654 10.235 1.00 2.23 C ATOM 2416 NZ LYS B 445 -15.042 8.319 9.856 1.00 2.52 N ATOM 0 H LYS B 445 -17.109 14.063 8.152 1.00 0.62 H new ATOM 0 HA LYS B 445 -15.351 12.531 6.501 1.00 0.51 H new ATOM 0 HB2 LYS B 445 -17.552 12.269 8.386 1.00 0.62 H new ATOM 0 HB3 LYS B 445 -17.919 11.253 7.005 1.00 0.62 H new ATOM 0 HG2 LYS B 445 -15.835 10.030 7.220 1.00 1.31 H new ATOM 0 HG3 LYS B 445 -15.168 11.212 8.330 1.00 1.31 H new ATOM 0 HD2 LYS B 445 -17.483 10.515 9.671 1.00 1.56 H new ATOM 0 HD3 LYS B 445 -17.120 9.005 8.860 1.00 1.56 H new ATOM 0 HE2 LYS B 445 -14.804 10.417 10.204 1.00 2.23 H new ATOM 0 HE3 LYS B 445 -15.979 9.646 11.250 1.00 2.23 H new ATOM 0 HZ1 LYS B 445 -14.282 8.052 10.514 1.00 2.52 H new ATOM 0 HZ2 LYS B 445 -15.803 7.612 9.901 1.00 2.52 H new ATOM 0 HZ3 LYS B 445 -14.664 8.359 8.888 1.00 2.52 H new ATOM 2430 N GLN B 446 -17.986 13.567 4.955 1.00 0.53 N ATOM 2431 CA GLN B 446 -18.632 13.583 3.611 1.00 0.56 C ATOM 2432 C GLN B 446 -17.691 14.206 2.577 1.00 0.52 C ATOM 2433 O GLN B 446 -17.520 13.692 1.489 1.00 0.51 O ATOM 2434 CB GLN B 446 -19.884 14.445 3.785 1.00 0.64 C ATOM 2435 CG GLN B 446 -20.998 13.921 2.880 1.00 1.11 C ATOM 2436 CD GLN B 446 -22.356 14.341 3.445 1.00 1.79 C ATOM 2437 OE1 GLN B 446 -23.138 14.981 2.771 1.00 2.45 O ATOM 2438 NE2 GLN B 446 -22.672 14.007 4.667 1.00 2.40 N ATOM 0 H GLN B 446 -18.347 14.254 5.617 1.00 0.53 H new ATOM 0 HA GLN B 446 -18.872 12.581 3.256 1.00 0.56 H new ATOM 0 HB2 GLN B 446 -20.208 14.427 4.825 1.00 0.64 H new ATOM 0 HB3 GLN B 446 -19.660 15.483 3.539 1.00 0.64 H new ATOM 0 HG2 GLN B 446 -20.875 14.313 1.870 1.00 1.11 H new ATOM 0 HG3 GLN B 446 -20.942 12.835 2.809 1.00 1.11 H new ATOM 0 HE21 GLN B 446 -22.017 13.470 5.234 1.00 2.40 H new ATOM 0 HE22 GLN B 446 -23.574 14.283 5.054 1.00 2.40 H new ATOM 2447 N GLU B 447 -17.080 15.313 2.905 1.00 0.52 N ATOM 2448 CA GLU B 447 -16.151 15.968 1.938 1.00 0.51 C ATOM 2449 C GLU B 447 -15.122 14.958 1.421 1.00 0.45 C ATOM 2450 O GLU B 447 -14.792 14.936 0.252 1.00 0.45 O ATOM 2451 CB GLU B 447 -15.464 17.077 2.734 1.00 0.53 C ATOM 2452 CG GLU B 447 -15.977 18.439 2.264 1.00 0.80 C ATOM 2453 CD GLU B 447 -17.137 18.886 3.155 1.00 1.32 C ATOM 2454 OE1 GLU B 447 -18.217 18.338 3.007 1.00 2.14 O ATOM 2455 OE2 GLU B 447 -16.926 19.769 3.970 1.00 1.96 O ATOM 0 H GLU B 447 -17.184 15.792 3.800 1.00 0.52 H new ATOM 0 HA GLU B 447 -16.675 16.359 1.066 1.00 0.51 H new ATOM 0 HB2 GLU B 447 -15.661 16.950 3.798 1.00 0.53 H new ATOM 0 HB3 GLU B 447 -14.384 17.018 2.601 1.00 0.53 H new ATOM 0 HG2 GLU B 447 -15.173 19.174 2.301 1.00 0.80 H new ATOM 0 HG3 GLU B 447 -16.305 18.377 1.226 1.00 0.80 H new ATOM 2462 N ALA B 448 -14.616 14.117 2.283 1.00 0.43 N ATOM 2463 CA ALA B 448 -13.614 13.106 1.835 1.00 0.39 C ATOM 2464 C ALA B 448 -14.165 12.313 0.647 1.00 0.40 C ATOM 2465 O ALA B 448 -13.424 11.756 -0.139 1.00 0.40 O ATOM 2466 CB ALA B 448 -13.408 12.190 3.043 1.00 0.39 C ATOM 0 H ALA B 448 -14.852 14.086 3.275 1.00 0.43 H new ATOM 0 HA ALA B 448 -12.680 13.563 1.508 1.00 0.39 H new ATOM 0 HB1 ALA B 448 -12.682 11.416 2.793 1.00 0.39 H new ATOM 0 HB2 ALA B 448 -13.039 12.776 3.885 1.00 0.39 H new ATOM 0 HB3 ALA B 448 -14.356 11.724 3.312 1.00 0.39 H new ATOM 2472 N ALA B 449 -15.462 12.263 0.510 1.00 0.44 N ATOM 2473 CA ALA B 449 -16.067 11.512 -0.626 1.00 0.47 C ATOM 2474 C ALA B 449 -15.496 12.013 -1.955 1.00 0.48 C ATOM 2475 O ALA B 449 -14.832 11.288 -2.670 1.00 0.49 O ATOM 2476 CB ALA B 449 -17.563 11.813 -0.545 1.00 0.52 C ATOM 0 H ALA B 449 -16.130 12.711 1.137 1.00 0.44 H new ATOM 0 HA ALA B 449 -15.859 10.443 -0.571 1.00 0.47 H new ATOM 0 HB1 ALA B 449 -18.083 11.295 -1.351 1.00 0.52 H new ATOM 0 HB2 ALA B 449 -17.951 11.473 0.415 1.00 0.52 H new ATOM 0 HB3 ALA B 449 -17.724 12.887 -0.641 1.00 0.52 H new ATOM 2482 N ARG B 450 -15.752 13.247 -2.289 1.00 0.49 N ATOM 2483 CA ARG B 450 -15.229 13.798 -3.572 1.00 0.52 C ATOM 2484 C ARG B 450 -13.699 13.817 -3.553 1.00 0.49 C ATOM 2485 O ARG B 450 -13.052 13.587 -4.557 1.00 0.50 O ATOM 2486 CB ARG B 450 -15.783 15.222 -3.642 1.00 0.57 C ATOM 2487 CG ARG B 450 -15.226 15.928 -4.879 1.00 0.78 C ATOM 2488 CD ARG B 450 -15.650 17.398 -4.861 1.00 1.37 C ATOM 2489 NE ARG B 450 -15.676 17.808 -6.292 1.00 1.76 N ATOM 2490 CZ ARG B 450 -16.814 18.063 -6.875 1.00 2.35 C ATOM 2491 NH1 ARG B 450 -17.595 18.995 -6.401 1.00 2.93 N ATOM 2492 NH2 ARG B 450 -17.172 17.386 -7.933 1.00 2.97 N ATOM 0 H ARG B 450 -16.301 13.899 -1.729 1.00 0.49 H new ATOM 0 HA ARG B 450 -15.528 13.200 -4.433 1.00 0.52 H new ATOM 0 HB2 ARG B 450 -16.872 15.198 -3.684 1.00 0.57 H new ATOM 0 HB3 ARG B 450 -15.511 15.774 -2.742 1.00 0.57 H new ATOM 0 HG2 ARG B 450 -14.139 15.852 -4.896 1.00 0.78 H new ATOM 0 HG3 ARG B 450 -15.593 15.443 -5.784 1.00 0.78 H new ATOM 0 HD2 ARG B 450 -16.629 17.521 -4.397 1.00 1.37 H new ATOM 0 HD3 ARG B 450 -14.948 18.005 -4.289 1.00 1.37 H new ATOM 0 HE ARG B 450 -14.805 17.889 -6.816 1.00 1.76 H new ATOM 0 HH11 ARG B 450 -17.315 19.524 -5.575 1.00 2.93 H new ATOM 0 HH12 ARG B 450 -18.485 19.195 -6.857 1.00 2.93 H new ATOM 0 HH21 ARG B 450 -16.561 16.658 -8.303 1.00 2.97 H new ATOM 0 HH22 ARG B 450 -18.062 17.586 -8.389 1.00 2.97 H new ATOM 2506 N LEU B 451 -13.114 14.089 -2.420 1.00 0.48 N ATOM 2507 CA LEU B 451 -11.626 14.122 -2.336 1.00 0.47 C ATOM 2508 C LEU B 451 -11.041 12.782 -2.795 1.00 0.44 C ATOM 2509 O LEU B 451 -9.903 12.700 -3.208 1.00 0.48 O ATOM 2510 CB LEU B 451 -11.320 14.363 -0.859 1.00 0.46 C ATOM 2511 CG LEU B 451 -10.865 15.810 -0.663 1.00 0.53 C ATOM 2512 CD1 LEU B 451 -11.258 16.284 0.737 1.00 0.92 C ATOM 2513 CD2 LEU B 451 -9.345 15.889 -0.819 1.00 1.04 C ATOM 0 H LEU B 451 -13.602 14.290 -1.547 1.00 0.48 H new ATOM 0 HA LEU B 451 -11.192 14.892 -2.973 1.00 0.47 H new ATOM 0 HB2 LEU B 451 -12.206 14.164 -0.256 1.00 0.46 H new ATOM 0 HB3 LEU B 451 -10.543 13.677 -0.521 1.00 0.46 H new ATOM 0 HG LEU B 451 -11.343 16.446 -1.408 1.00 0.53 H new ATOM 0 HD11 LEU B 451 -10.934 17.315 0.876 1.00 0.92 H new ATOM 0 HD12 LEU B 451 -12.341 16.226 0.850 1.00 0.92 H new ATOM 0 HD13 LEU B 451 -10.780 15.649 1.483 1.00 0.92 H new ATOM 0 HD21 LEU B 451 -9.018 16.919 -0.680 1.00 1.04 H new ATOM 0 HD22 LEU B 451 -8.869 15.253 -0.072 1.00 1.04 H new ATOM 0 HD23 LEU B 451 -9.064 15.551 -1.816 1.00 1.04 H new ATOM 2525 N LEU B 452 -11.814 11.732 -2.724 1.00 0.42 N ATOM 2526 CA LEU B 452 -11.303 10.399 -3.154 1.00 0.40 C ATOM 2527 C LEU B 452 -12.123 9.868 -4.338 1.00 0.46 C ATOM 2528 O LEU B 452 -12.059 8.702 -4.672 1.00 0.51 O ATOM 2529 CB LEU B 452 -11.484 9.490 -1.936 1.00 0.37 C ATOM 2530 CG LEU B 452 -10.745 10.081 -0.732 1.00 0.35 C ATOM 2531 CD1 LEU B 452 -11.456 9.663 0.557 1.00 0.31 C ATOM 2532 CD2 LEU B 452 -9.307 9.556 -0.712 1.00 0.43 C ATOM 0 H LEU B 452 -12.777 11.740 -2.387 1.00 0.42 H new ATOM 0 HA LEU B 452 -10.264 10.447 -3.481 1.00 0.40 H new ATOM 0 HB2 LEU B 452 -12.544 9.382 -1.706 1.00 0.37 H new ATOM 0 HB3 LEU B 452 -11.102 8.493 -2.155 1.00 0.37 H new ATOM 0 HG LEU B 452 -10.736 11.168 -0.807 1.00 0.35 H new ATOM 0 HD11 LEU B 452 -10.931 10.083 1.415 1.00 0.31 H new ATOM 0 HD12 LEU B 452 -12.482 10.032 0.543 1.00 0.31 H new ATOM 0 HD13 LEU B 452 -11.463 8.576 0.633 1.00 0.31 H new ATOM 0 HD21 LEU B 452 -8.778 9.975 0.144 1.00 0.43 H new ATOM 0 HD22 LEU B 452 -9.318 8.469 -0.635 1.00 0.43 H new ATOM 0 HD23 LEU B 452 -8.800 9.850 -1.631 1.00 0.43 H new ATOM 2544 N GLY B 453 -12.897 10.711 -4.972 1.00 0.50 N ATOM 2545 CA GLY B 453 -13.718 10.242 -6.126 1.00 0.56 C ATOM 2546 C GLY B 453 -14.568 9.048 -5.693 1.00 0.58 C ATOM 2547 O GLY B 453 -14.661 8.053 -6.384 1.00 0.68 O ATOM 0 H GLY B 453 -12.995 11.700 -4.741 1.00 0.50 H new ATOM 0 HA2 GLY B 453 -14.359 11.049 -6.482 1.00 0.56 H new ATOM 0 HA3 GLY B 453 -13.070 9.959 -6.956 1.00 0.56 H new ATOM 2551 N TRP B 454 -15.180 9.137 -4.547 1.00 0.54 N ATOM 2552 CA TRP B 454 -16.018 8.006 -4.052 1.00 0.60 C ATOM 2553 C TRP B 454 -17.493 8.414 -3.994 1.00 0.69 C ATOM 2554 O TRP B 454 -18.289 8.039 -4.832 1.00 1.16 O ATOM 2555 CB TRP B 454 -15.494 7.721 -2.642 1.00 0.53 C ATOM 2556 CG TRP B 454 -14.358 6.743 -2.693 1.00 0.52 C ATOM 2557 CD1 TRP B 454 -13.549 6.531 -3.761 1.00 0.58 C ATOM 2558 CD2 TRP B 454 -13.889 5.850 -1.643 1.00 0.50 C ATOM 2559 NE1 TRP B 454 -12.616 5.562 -3.435 1.00 0.58 N ATOM 2560 CE2 TRP B 454 -12.780 5.109 -2.142 1.00 0.52 C ATOM 2561 CE3 TRP B 454 -14.315 5.608 -0.310 1.00 0.51 C ATOM 2562 CZ2 TRP B 454 -12.112 4.160 -1.347 1.00 0.52 C ATOM 2563 CZ3 TRP B 454 -13.646 4.653 0.493 1.00 0.53 C ATOM 2564 CH2 TRP B 454 -12.548 3.930 -0.025 1.00 0.51 C ATOM 0 H TRP B 454 -15.137 9.946 -3.928 1.00 0.54 H new ATOM 0 HA TRP B 454 -15.956 7.135 -4.704 1.00 0.60 H new ATOM 0 HB2 TRP B 454 -15.162 8.649 -2.176 1.00 0.53 H new ATOM 0 HB3 TRP B 454 -16.297 7.323 -2.022 1.00 0.53 H new ATOM 0 HD1 TRP B 454 -13.621 7.037 -4.712 1.00 0.58 H new ATOM 0 HE1 TRP B 454 -11.895 5.224 -4.073 1.00 0.58 H new ATOM 0 HE3 TRP B 454 -15.154 6.156 0.093 1.00 0.51 H new ATOM 0 HZ2 TRP B 454 -11.271 3.611 -1.746 1.00 0.52 H new ATOM 0 HZ3 TRP B 454 -13.976 4.476 1.506 1.00 0.53 H new ATOM 0 HH2 TRP B 454 -12.042 3.201 0.591 1.00 0.51 H new ATOM 2575 N GLY B 455 -17.862 9.173 -2.999 1.00 0.72 N ATOM 2576 CA GLY B 455 -19.282 9.603 -2.864 1.00 0.72 C ATOM 2577 C GLY B 455 -19.730 9.370 -1.420 1.00 0.70 C ATOM 2578 O GLY B 455 -18.930 9.064 -0.563 1.00 0.64 O ATOM 0 H GLY B 455 -17.237 9.516 -2.270 1.00 0.72 H new ATOM 0 HA2 GLY B 455 -19.384 10.656 -3.126 1.00 0.72 H new ATOM 0 HA3 GLY B 455 -19.914 9.041 -3.551 1.00 0.72 H new ATOM 2582 N ALA B 456 -20.996 9.507 -1.140 1.00 0.77 N ATOM 2583 CA ALA B 456 -21.470 9.282 0.256 1.00 0.77 C ATOM 2584 C ALA B 456 -21.851 7.813 0.442 1.00 0.82 C ATOM 2585 O ALA B 456 -21.646 7.237 1.492 1.00 0.83 O ATOM 2586 CB ALA B 456 -22.697 10.181 0.413 1.00 0.84 C ATOM 0 H ALA B 456 -21.720 9.763 -1.812 1.00 0.77 H new ATOM 0 HA ALA B 456 -20.705 9.513 0.998 1.00 0.77 H new ATOM 0 HB1 ALA B 456 -23.103 10.070 1.418 1.00 0.84 H new ATOM 0 HB2 ALA B 456 -22.410 11.220 0.250 1.00 0.84 H new ATOM 0 HB3 ALA B 456 -23.454 9.895 -0.318 1.00 0.84 H new ATOM 2592 N ALA B 457 -22.396 7.200 -0.572 1.00 0.90 N ATOM 2593 CA ALA B 457 -22.779 5.767 -0.449 1.00 0.97 C ATOM 2594 C ALA B 457 -21.519 4.901 -0.394 1.00 0.89 C ATOM 2595 O ALA B 457 -21.490 3.866 0.242 1.00 0.91 O ATOM 2596 CB ALA B 457 -23.592 5.459 -1.707 1.00 1.07 C ATOM 0 H ALA B 457 -22.592 7.628 -1.477 1.00 0.90 H new ATOM 0 HA ALA B 457 -23.351 5.564 0.456 1.00 0.97 H new ATOM 0 HB1 ALA B 457 -23.911 4.417 -1.688 1.00 1.07 H new ATOM 0 HB2 ALA B 457 -24.469 6.106 -1.741 1.00 1.07 H new ATOM 0 HB3 ALA B 457 -22.977 5.634 -2.590 1.00 1.07 H new ATOM 2602 N THR B 458 -20.473 5.324 -1.051 1.00 0.84 N ATOM 2603 CA THR B 458 -19.207 4.535 -1.034 1.00 0.77 C ATOM 2604 C THR B 458 -18.478 4.757 0.293 1.00 0.68 C ATOM 2605 O THR B 458 -18.126 3.821 0.985 1.00 0.67 O ATOM 2606 CB THR B 458 -18.383 5.086 -2.199 1.00 0.76 C ATOM 2607 OG1 THR B 458 -19.129 4.965 -3.402 1.00 0.85 O ATOM 2608 CG2 THR B 458 -17.078 4.296 -2.323 1.00 0.72 C ATOM 0 H THR B 458 -20.440 6.183 -1.600 1.00 0.84 H new ATOM 0 HA THR B 458 -19.380 3.463 -1.132 1.00 0.77 H new ATOM 0 HB THR B 458 -18.152 6.136 -2.018 1.00 0.76 H new ATOM 0 HG1 THR B 458 -18.604 5.319 -4.150 1.00 0.85 H new ATOM 0 HG21 THR B 458 -16.492 4.690 -3.153 1.00 0.72 H new ATOM 0 HG22 THR B 458 -16.507 4.390 -1.399 1.00 0.72 H new ATOM 0 HG23 THR B 458 -17.305 3.245 -2.505 1.00 0.72 H new ATOM 2616 N LEU B 459 -18.255 5.990 0.656 1.00 0.64 N ATOM 2617 CA LEU B 459 -17.556 6.279 1.941 1.00 0.57 C ATOM 2618 C LEU B 459 -18.255 5.548 3.092 1.00 0.60 C ATOM 2619 O LEU B 459 -17.637 5.158 4.062 1.00 0.58 O ATOM 2620 CB LEU B 459 -17.666 7.794 2.118 1.00 0.56 C ATOM 2621 CG LEU B 459 -16.265 8.397 2.231 1.00 0.47 C ATOM 2622 CD1 LEU B 459 -16.304 9.864 1.803 1.00 0.48 C ATOM 2623 CD2 LEU B 459 -15.784 8.305 3.680 1.00 0.46 C ATOM 0 H LEU B 459 -18.527 6.812 0.117 1.00 0.64 H new ATOM 0 HA LEU B 459 -16.518 5.946 1.936 1.00 0.57 H new ATOM 0 HB2 LEU B 459 -18.195 8.232 1.272 1.00 0.56 H new ATOM 0 HB3 LEU B 459 -18.246 8.025 3.011 1.00 0.56 H new ATOM 0 HG LEU B 459 -15.582 7.846 1.584 1.00 0.47 H new ATOM 0 HD11 LEU B 459 -15.305 10.293 1.884 1.00 0.48 H new ATOM 0 HD12 LEU B 459 -16.646 9.933 0.770 1.00 0.48 H new ATOM 0 HD13 LEU B 459 -16.988 10.414 2.449 1.00 0.48 H new ATOM 0 HD21 LEU B 459 -14.786 8.735 3.760 1.00 0.46 H new ATOM 0 HD22 LEU B 459 -16.468 8.855 4.326 1.00 0.46 H new ATOM 0 HD23 LEU B 459 -15.755 7.260 3.988 1.00 0.46 H new ATOM 2635 N THR B 460 -19.542 5.356 2.983 1.00 0.68 N ATOM 2636 CA THR B 460 -20.286 4.646 4.063 1.00 0.74 C ATOM 2637 C THR B 460 -20.312 3.141 3.779 1.00 0.76 C ATOM 2638 O THR B 460 -19.978 2.335 4.624 1.00 0.75 O ATOM 2639 CB THR B 460 -21.700 5.230 4.016 1.00 0.83 C ATOM 2640 OG1 THR B 460 -21.654 6.605 4.370 1.00 0.82 O ATOM 2641 CG2 THR B 460 -22.600 4.478 4.997 1.00 0.92 C ATOM 0 H THR B 460 -20.110 5.660 2.193 1.00 0.68 H new ATOM 0 HA THR B 460 -19.826 4.776 5.042 1.00 0.74 H new ATOM 0 HB THR B 460 -22.102 5.127 3.008 1.00 0.83 H new ATOM 0 HG1 THR B 460 -21.638 7.152 3.557 1.00 0.82 H new ATOM 0 HG21 THR B 460 -23.606 4.896 4.961 1.00 0.92 H new ATOM 0 HG22 THR B 460 -22.635 3.423 4.723 1.00 0.92 H new ATOM 0 HG23 THR B 460 -22.201 4.578 6.006 1.00 0.92 H new ATOM 2649 N ALA B 461 -20.705 2.758 2.595 1.00 0.81 N ATOM 2650 CA ALA B 461 -20.750 1.306 2.258 1.00 0.85 C ATOM 2651 C ALA B 461 -19.356 0.692 2.392 1.00 0.79 C ATOM 2652 O ALA B 461 -19.202 -0.446 2.790 1.00 0.83 O ATOM 2653 CB ALA B 461 -21.222 1.251 0.804 1.00 0.92 C ATOM 0 H ALA B 461 -20.997 3.387 1.847 1.00 0.81 H new ATOM 0 HA ALA B 461 -21.410 0.747 2.922 1.00 0.85 H new ATOM 0 HB1 ALA B 461 -21.281 0.212 0.480 1.00 0.92 H new ATOM 0 HB2 ALA B 461 -22.206 1.713 0.723 1.00 0.92 H new ATOM 0 HB3 ALA B 461 -20.516 1.789 0.172 1.00 0.92 H new ATOM 2659 N LYS B 462 -18.338 1.438 2.064 1.00 0.72 N ATOM 2660 CA LYS B 462 -16.952 0.900 2.171 1.00 0.68 C ATOM 2661 C LYS B 462 -16.583 0.680 3.641 1.00 0.65 C ATOM 2662 O LYS B 462 -15.702 -0.094 3.960 1.00 0.66 O ATOM 2663 CB LYS B 462 -16.059 1.975 1.551 1.00 0.66 C ATOM 2664 CG LYS B 462 -16.231 1.970 0.031 1.00 0.99 C ATOM 2665 CD LYS B 462 -15.421 0.823 -0.571 1.00 0.91 C ATOM 2666 CE LYS B 462 -16.260 0.105 -1.631 1.00 1.31 C ATOM 2667 NZ LYS B 462 -15.360 -0.940 -2.193 1.00 1.39 N ATOM 0 H LYS B 462 -18.406 2.398 1.726 1.00 0.72 H new ATOM 0 HA LYS B 462 -16.843 -0.061 1.667 1.00 0.68 H new ATOM 0 HB2 LYS B 462 -16.318 2.954 1.953 1.00 0.66 H new ATOM 0 HB3 LYS B 462 -15.016 1.790 1.810 1.00 0.66 H new ATOM 0 HG2 LYS B 462 -17.284 1.859 -0.226 1.00 0.99 H new ATOM 0 HG3 LYS B 462 -15.900 2.921 -0.386 1.00 0.99 H new ATOM 0 HD2 LYS B 462 -14.504 1.207 -1.017 1.00 0.91 H new ATOM 0 HD3 LYS B 462 -15.127 0.123 0.211 1.00 0.91 H new ATOM 0 HE2 LYS B 462 -17.154 -0.338 -1.193 1.00 1.31 H new ATOM 0 HE3 LYS B 462 -16.594 0.796 -2.405 1.00 1.31 H new ATOM 0 HZ1 LYS B 462 -15.866 -1.475 -2.928 1.00 1.39 H new ATOM 0 HZ2 LYS B 462 -14.521 -0.488 -2.609 1.00 1.39 H new ATOM 0 HZ3 LYS B 462 -15.064 -1.588 -1.435 1.00 1.39 H new ATOM 2681 N LEU B 463 -17.247 1.356 4.538 1.00 0.65 N ATOM 2682 CA LEU B 463 -16.930 1.186 5.985 1.00 0.65 C ATOM 2683 C LEU B 463 -17.321 -0.218 6.453 1.00 0.68 C ATOM 2684 O LEU B 463 -16.558 -0.900 7.110 1.00 0.70 O ATOM 2685 CB LEU B 463 -17.769 2.245 6.702 1.00 0.68 C ATOM 2686 CG LEU B 463 -17.367 2.301 8.176 1.00 0.81 C ATOM 2687 CD1 LEU B 463 -17.179 3.759 8.599 1.00 0.99 C ATOM 2688 CD2 LEU B 463 -18.466 1.661 9.028 1.00 0.99 C ATOM 0 H LEU B 463 -17.995 2.018 4.332 1.00 0.65 H new ATOM 0 HA LEU B 463 -15.866 1.302 6.190 1.00 0.65 H new ATOM 0 HB2 LEU B 463 -17.620 3.219 6.236 1.00 0.68 H new ATOM 0 HB3 LEU B 463 -18.829 2.007 6.612 1.00 0.68 H new ATOM 0 HG LEU B 463 -16.433 1.758 8.319 1.00 0.81 H new ATOM 0 HD11 LEU B 463 -16.892 3.799 9.650 1.00 0.99 H new ATOM 0 HD12 LEU B 463 -16.397 4.216 7.992 1.00 0.99 H new ATOM 0 HD13 LEU B 463 -18.113 4.302 8.457 1.00 0.99 H new ATOM 0 HD21 LEU B 463 -18.181 1.700 10.079 1.00 0.99 H new ATOM 0 HD22 LEU B 463 -19.400 2.204 8.885 1.00 0.99 H new ATOM 0 HD23 LEU B 463 -18.601 0.622 8.727 1.00 0.99 H new ATOM 2700 N LYS B 464 -18.504 -0.658 6.120 1.00 0.72 N ATOM 2701 CA LYS B 464 -18.939 -2.019 6.548 1.00 0.77 C ATOM 2702 C LYS B 464 -18.375 -3.079 5.597 1.00 0.76 C ATOM 2703 O LYS B 464 -18.263 -4.239 5.942 1.00 0.82 O ATOM 2704 CB LYS B 464 -20.467 -1.989 6.472 1.00 0.85 C ATOM 2705 CG LYS B 464 -21.050 -2.797 7.633 1.00 1.20 C ATOM 2706 CD LYS B 464 -22.554 -2.980 7.423 1.00 1.62 C ATOM 2707 CE LYS B 464 -23.146 -3.745 8.609 1.00 2.25 C ATOM 2708 NZ LYS B 464 -22.901 -5.181 8.301 1.00 2.66 N ATOM 0 H LYS B 464 -19.187 -0.136 5.571 1.00 0.72 H new ATOM 0 HA LYS B 464 -18.585 -2.270 7.548 1.00 0.77 H new ATOM 0 HB2 LYS B 464 -20.824 -0.960 6.515 1.00 0.85 H new ATOM 0 HB3 LYS B 464 -20.803 -2.403 5.521 1.00 0.85 H new ATOM 0 HG2 LYS B 464 -20.560 -3.769 7.696 1.00 1.20 H new ATOM 0 HG3 LYS B 464 -20.864 -2.284 8.577 1.00 1.20 H new ATOM 0 HD2 LYS B 464 -23.039 -2.009 7.325 1.00 1.62 H new ATOM 0 HD3 LYS B 464 -22.739 -3.524 6.497 1.00 1.62 H new ATOM 0 HE2 LYS B 464 -22.668 -3.455 9.544 1.00 2.25 H new ATOM 0 HE3 LYS B 464 -24.211 -3.541 8.719 1.00 2.25 H new ATOM 0 HZ1 LYS B 464 -23.367 -5.774 9.017 1.00 2.66 H new ATOM 0 HZ2 LYS B 464 -23.286 -5.405 7.361 1.00 2.66 H new ATOM 0 HZ3 LYS B 464 -21.878 -5.368 8.310 1.00 2.66 H new ATOM 2722 N GLU B 465 -18.019 -2.690 4.404 1.00 0.73 N ATOM 2723 CA GLU B 465 -17.464 -3.677 3.433 1.00 0.76 C ATOM 2724 C GLU B 465 -16.163 -4.278 3.974 1.00 0.69 C ATOM 2725 O GLU B 465 -16.012 -5.480 4.061 1.00 0.85 O ATOM 2726 CB GLU B 465 -17.195 -2.872 2.161 1.00 0.79 C ATOM 2727 CG GLU B 465 -16.887 -3.829 1.007 1.00 1.12 C ATOM 2728 CD GLU B 465 -18.197 -4.383 0.440 1.00 1.42 C ATOM 2729 OE1 GLU B 465 -18.828 -5.172 1.124 1.00 2.03 O ATOM 2730 OE2 GLU B 465 -18.545 -4.008 -0.667 1.00 1.94 O ATOM 0 H GLU B 465 -18.088 -1.733 4.059 1.00 0.73 H new ATOM 0 HA GLU B 465 -18.146 -4.508 3.253 1.00 0.76 H new ATOM 0 HB2 GLU B 465 -18.062 -2.258 1.917 1.00 0.79 H new ATOM 0 HB3 GLU B 465 -16.357 -2.193 2.318 1.00 0.79 H new ATOM 0 HG2 GLU B 465 -16.332 -3.308 0.227 1.00 1.12 H new ATOM 0 HG3 GLU B 465 -16.255 -4.646 1.356 1.00 1.12 H new ATOM 2737 N LEU B 466 -15.221 -3.449 4.335 1.00 0.56 N ATOM 2738 CA LEU B 466 -13.931 -3.975 4.867 1.00 0.59 C ATOM 2739 C LEU B 466 -14.188 -4.897 6.061 1.00 0.70 C ATOM 2740 O LEU B 466 -13.472 -5.855 6.282 1.00 0.81 O ATOM 2741 CB LEU B 466 -13.149 -2.735 5.303 1.00 0.56 C ATOM 2742 CG LEU B 466 -12.539 -2.059 4.074 1.00 0.54 C ATOM 2743 CD1 LEU B 466 -12.114 -0.634 4.434 1.00 0.62 C ATOM 2744 CD2 LEU B 466 -11.316 -2.853 3.611 1.00 0.52 C ATOM 0 H LEU B 466 -15.289 -2.432 4.285 1.00 0.56 H new ATOM 0 HA LEU B 466 -13.386 -4.561 4.127 1.00 0.59 H new ATOM 0 HB2 LEU B 466 -13.808 -2.041 5.824 1.00 0.56 H new ATOM 0 HB3 LEU B 466 -12.363 -3.015 6.005 1.00 0.56 H new ATOM 0 HG LEU B 466 -13.277 -2.027 3.273 1.00 0.54 H new ATOM 0 HD11 LEU B 466 -11.679 -0.152 3.558 1.00 0.62 H new ATOM 0 HD12 LEU B 466 -12.984 -0.068 4.766 1.00 0.62 H new ATOM 0 HD13 LEU B 466 -11.375 -0.666 5.235 1.00 0.62 H new ATOM 0 HD21 LEU B 466 -10.880 -2.372 2.735 1.00 0.52 H new ATOM 0 HD22 LEU B 466 -10.578 -2.884 4.412 1.00 0.52 H new ATOM 0 HD23 LEU B 466 -11.617 -3.869 3.355 1.00 0.52 H new ATOM 2756 N GLY B 467 -15.204 -4.621 6.832 1.00 0.77 N ATOM 2757 CA GLY B 467 -15.502 -5.486 8.008 1.00 0.97 C ATOM 2758 C GLY B 467 -15.882 -6.887 7.526 1.00 1.08 C ATOM 2759 O GLY B 467 -15.661 -7.869 8.206 1.00 1.38 O ATOM 0 H GLY B 467 -15.840 -3.835 6.699 1.00 0.77 H new ATOM 0 HA2 GLY B 467 -14.633 -5.539 8.664 1.00 0.97 H new ATOM 0 HA3 GLY B 467 -16.317 -5.057 8.592 1.00 0.97 H new