USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 425 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 25 THR OG1 : rot -88:sc= -3.13! USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 33:sc= 0.121 USER MOD Single : A 64 SER OG : rot 180:sc= -0.414 USER MOD Single : A 69 THR OG1 : rot -15:sc= 0.753 USER MOD Single : A 74 GLN : amide:sc= -0.0294 K(o=-0.029,f=-1) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 87 ASN : amide:sc= -2.95! C(o=-3!,f=-8.1!) USER MOD ----------------------------------------------------------------- ATOM 351 N GLY A 24 -7.973 -0.822 2.230 1.00 0.00 N ATOM 352 CA GLY A 24 -7.806 -0.703 0.794 1.00 0.00 C ATOM 353 C GLY A 24 -6.422 -0.223 0.407 1.00 0.00 C ATOM 354 O GLY A 24 -6.279 0.644 -0.455 1.00 0.00 O ATOM 0 HA2 GLY A 24 -7.995 -1.670 0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.550 -0.010 0.401 1.00 0.00 H new ATOM 358 N THR A 25 -5.398 -0.825 1.001 1.00 0.00 N ATOM 359 CA THR A 25 -4.025 -0.425 0.732 1.00 0.00 C ATOM 360 C THR A 25 -3.399 -1.233 -0.393 1.00 0.00 C ATOM 361 O THR A 25 -3.522 -2.458 -0.447 1.00 0.00 O ATOM 362 CB THR A 25 -3.163 -0.575 1.985 1.00 0.00 C ATOM 363 OG1 THR A 25 -1.802 -0.767 1.636 1.00 0.00 O ATOM 364 CG2 THR A 25 -3.567 -1.736 2.872 1.00 0.00 C ATOM 0 H THR A 25 -5.494 -1.589 1.670 1.00 0.00 H new ATOM 0 HA THR A 25 -4.062 0.621 0.426 1.00 0.00 H new ATOM 0 HB THR A 25 -3.312 0.351 2.540 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.629 -1.723 1.508 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.909 -1.777 3.740 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.597 -1.600 3.203 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.486 -2.667 2.312 1.00 0.00 H new ATOM 372 N SER A 26 -2.655 -0.533 -1.238 1.00 0.00 N ATOM 373 CA SER A 26 -1.933 -1.158 -2.331 1.00 0.00 C ATOM 374 C SER A 26 -0.502 -0.644 -2.380 1.00 0.00 C ATOM 375 O SER A 26 -0.271 0.561 -2.489 1.00 0.00 O ATOM 376 CB SER A 26 -2.621 -0.858 -3.659 1.00 0.00 C ATOM 377 OG SER A 26 -3.958 -1.328 -3.664 1.00 0.00 O ATOM 0 H SER A 26 -2.537 0.479 -1.184 1.00 0.00 H new ATOM 0 HA SER A 26 -1.924 -2.235 -2.164 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.610 0.216 -3.842 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.066 -1.325 -4.472 1.00 0.00 H new ATOM 0 HG SER A 26 -4.374 -1.120 -4.526 1.00 0.00 H new ATOM 383 N ALA A 27 0.457 -1.556 -2.322 1.00 0.00 N ATOM 384 CA ALA A 27 1.862 -1.180 -2.404 1.00 0.00 C ATOM 385 C ALA A 27 2.542 -1.958 -3.511 1.00 0.00 C ATOM 386 O ALA A 27 2.086 -3.029 -3.907 1.00 0.00 O ATOM 387 CB ALA A 27 2.574 -1.375 -1.069 1.00 0.00 C ATOM 0 H ALA A 27 0.290 -2.557 -2.219 1.00 0.00 H new ATOM 0 HA ALA A 27 1.920 -0.118 -2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.620 -1.084 -1.169 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.097 -0.757 -0.308 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.515 -2.423 -0.775 1.00 0.00 H new ATOM 393 N THR A 28 3.580 -1.367 -4.069 1.00 0.00 N ATOM 394 CA THR A 28 4.288 -1.964 -5.183 1.00 0.00 C ATOM 395 C THR A 28 5.761 -2.106 -4.850 1.00 0.00 C ATOM 396 O THR A 28 6.377 -1.180 -4.341 1.00 0.00 O ATOM 397 CB THR A 28 4.087 -1.102 -6.428 1.00 0.00 C ATOM 398 OG1 THR A 28 2.761 -1.232 -6.912 1.00 0.00 O ATOM 399 CG2 THR A 28 5.023 -1.442 -7.567 1.00 0.00 C ATOM 0 H THR A 28 3.954 -0.467 -3.766 1.00 0.00 H new ATOM 0 HA THR A 28 3.892 -2.960 -5.379 1.00 0.00 H new ATOM 0 HB THR A 28 4.301 -0.083 -6.105 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.647 -0.673 -7.709 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.818 -0.787 -8.414 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.055 -1.305 -7.243 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.871 -2.479 -7.865 1.00 0.00 H new ATOM 407 N ILE A 29 6.309 -3.280 -5.124 1.00 0.00 N ATOM 408 CA ILE A 29 7.694 -3.565 -4.801 1.00 0.00 C ATOM 409 C ILE A 29 8.593 -3.448 -6.018 1.00 0.00 C ATOM 410 O ILE A 29 8.401 -4.131 -7.024 1.00 0.00 O ATOM 411 CB ILE A 29 7.850 -4.970 -4.198 1.00 0.00 C ATOM 412 CG1 ILE A 29 6.675 -5.292 -3.275 1.00 0.00 C ATOM 413 CG2 ILE A 29 9.155 -5.074 -3.435 1.00 0.00 C ATOM 414 CD1 ILE A 29 6.358 -4.188 -2.290 1.00 0.00 C ATOM 0 H ILE A 29 5.812 -4.051 -5.570 1.00 0.00 H new ATOM 0 HA ILE A 29 7.998 -2.820 -4.066 1.00 0.00 H new ATOM 0 HB ILE A 29 7.860 -5.694 -5.013 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.791 -5.491 -3.881 1.00 0.00 H new ATOM 0 HG13 ILE A 29 6.896 -6.206 -2.724 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.251 -6.075 -3.014 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.988 -4.883 -4.111 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.166 -4.339 -2.630 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.514 -4.486 -1.668 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.227 -4.004 -1.658 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.105 -3.278 -2.833 1.00 0.00 H new ATOM 426 N THR A 30 9.593 -2.592 -5.898 1.00 0.00 N ATOM 427 CA THR A 30 10.563 -2.389 -6.958 1.00 0.00 C ATOM 428 C THR A 30 11.973 -2.584 -6.421 1.00 0.00 C ATOM 429 O THR A 30 12.545 -1.684 -5.806 1.00 0.00 O ATOM 430 CB THR A 30 10.408 -0.987 -7.544 1.00 0.00 C ATOM 431 OG1 THR A 30 11.573 -0.608 -8.256 1.00 0.00 O ATOM 432 CG2 THR A 30 10.140 0.069 -6.494 1.00 0.00 C ATOM 0 H THR A 30 9.754 -2.022 -5.068 1.00 0.00 H new ATOM 0 HA THR A 30 10.386 -3.121 -7.746 1.00 0.00 H new ATOM 0 HB THR A 30 9.546 -1.042 -8.208 1.00 0.00 H new ATOM 0 HG1 THR A 30 11.453 0.292 -8.625 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.040 1.042 -6.974 1.00 0.00 H new ATOM 0 HG22 THR A 30 9.218 -0.171 -5.964 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.969 0.097 -5.786 1.00 0.00 H new ATOM 440 N SER A 31 12.522 -3.768 -6.651 1.00 0.00 N ATOM 441 CA SER A 31 13.850 -4.098 -6.178 1.00 0.00 C ATOM 442 C SER A 31 14.769 -4.443 -7.341 1.00 0.00 C ATOM 443 O SER A 31 14.306 -4.768 -8.435 1.00 0.00 O ATOM 444 CB SER A 31 13.787 -5.273 -5.201 1.00 0.00 C ATOM 445 OG SER A 31 13.329 -6.450 -5.846 1.00 0.00 O ATOM 0 H SER A 31 12.061 -4.518 -7.166 1.00 0.00 H new ATOM 0 HA SER A 31 14.253 -3.226 -5.664 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.775 -5.449 -4.775 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.122 -5.026 -4.373 1.00 0.00 H new ATOM 0 HG SER A 31 13.299 -7.187 -5.200 1.00 0.00 H new ATOM 451 N GLY A 32 16.071 -4.369 -7.101 1.00 0.00 N ATOM 452 CA GLY A 32 17.030 -4.692 -8.139 1.00 0.00 C ATOM 453 C GLY A 32 16.858 -6.107 -8.657 1.00 0.00 C ATOM 454 O GLY A 32 17.208 -6.404 -9.800 1.00 0.00 O ATOM 0 H GLY A 32 16.480 -4.092 -6.209 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.920 -3.989 -8.965 1.00 0.00 H new ATOM 0 HA3 GLY A 32 18.040 -4.570 -7.749 1.00 0.00 H new ATOM 458 N GLU A 33 16.304 -6.977 -7.819 1.00 0.00 N ATOM 459 CA GLU A 33 16.090 -8.367 -8.185 1.00 0.00 C ATOM 460 C GLU A 33 15.088 -8.498 -9.322 1.00 0.00 C ATOM 461 O GLU A 33 15.455 -8.774 -10.464 1.00 0.00 O ATOM 462 CB GLU A 33 15.604 -9.147 -6.977 1.00 0.00 C ATOM 463 CG GLU A 33 16.452 -10.361 -6.665 1.00 0.00 C ATOM 464 CD GLU A 33 16.150 -10.952 -5.303 1.00 0.00 C ATOM 465 OE1 GLU A 33 15.918 -10.172 -4.355 1.00 0.00 O ATOM 466 OE2 GLU A 33 16.147 -12.195 -5.182 1.00 0.00 O ATOM 0 H GLU A 33 15.994 -6.739 -6.877 1.00 0.00 H new ATOM 0 HA GLU A 33 17.041 -8.775 -8.528 1.00 0.00 H new ATOM 0 HB2 GLU A 33 15.593 -8.488 -6.109 1.00 0.00 H new ATOM 0 HB3 GLU A 33 14.576 -9.466 -7.149 1.00 0.00 H new ATOM 0 HG2 GLU A 33 16.288 -11.120 -7.430 1.00 0.00 H new ATOM 0 HG3 GLU A 33 17.505 -10.085 -6.711 1.00 0.00 H new ATOM 473 N GLN A 34 13.816 -8.315 -8.993 1.00 0.00 N ATOM 474 CA GLN A 34 12.747 -8.438 -9.975 1.00 0.00 C ATOM 475 C GLN A 34 11.645 -7.413 -9.717 1.00 0.00 C ATOM 476 O GLN A 34 10.479 -7.770 -9.546 1.00 0.00 O ATOM 477 CB GLN A 34 12.165 -9.851 -9.935 1.00 0.00 C ATOM 478 CG GLN A 34 10.973 -10.047 -10.858 1.00 0.00 C ATOM 479 CD GLN A 34 10.893 -11.454 -11.417 1.00 0.00 C ATOM 480 OE1 GLN A 34 10.148 -12.293 -10.911 1.00 0.00 O ATOM 481 NE2 GLN A 34 11.661 -11.719 -12.467 1.00 0.00 N ATOM 0 H GLN A 34 13.499 -8.081 -8.052 1.00 0.00 H new ATOM 0 HA GLN A 34 13.166 -8.246 -10.963 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.944 -10.563 -10.206 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.864 -10.082 -8.913 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.056 -9.824 -10.313 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.035 -9.336 -11.682 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.264 -10.993 -12.854 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.648 -12.649 -12.886 1.00 0.00 H new ATOM 490 N SER A 35 12.021 -6.139 -9.700 1.00 0.00 N ATOM 491 CA SER A 35 11.064 -5.064 -9.463 1.00 0.00 C ATOM 492 C SER A 35 9.835 -5.214 -10.354 1.00 0.00 C ATOM 493 O SER A 35 9.934 -5.175 -11.580 1.00 0.00 O ATOM 494 CB SER A 35 11.723 -3.705 -9.713 1.00 0.00 C ATOM 495 OG SER A 35 12.414 -3.691 -10.950 1.00 0.00 O ATOM 0 H SER A 35 12.980 -5.825 -9.847 1.00 0.00 H new ATOM 0 HA SER A 35 10.743 -5.124 -8.423 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.963 -2.923 -9.709 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.417 -3.480 -8.903 1.00 0.00 H new ATOM 0 HG SER A 35 11.949 -4.269 -11.591 1.00 0.00 H new ATOM 501 N GLY A 36 8.674 -5.382 -9.727 1.00 0.00 N ATOM 502 CA GLY A 36 7.440 -5.532 -10.476 1.00 0.00 C ATOM 503 C GLY A 36 6.433 -6.416 -9.764 1.00 0.00 C ATOM 504 O GLY A 36 5.840 -7.306 -10.374 1.00 0.00 O ATOM 0 H GLY A 36 8.566 -5.417 -8.713 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.000 -4.549 -10.646 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.662 -5.956 -11.455 1.00 0.00 H new ATOM 508 N ALA A 37 6.240 -6.170 -8.472 1.00 0.00 N ATOM 509 CA ALA A 37 5.299 -6.954 -7.678 1.00 0.00 C ATOM 510 C ALA A 37 4.484 -6.059 -6.749 1.00 0.00 C ATOM 511 O ALA A 37 5.040 -5.298 -5.958 1.00 0.00 O ATOM 512 CB ALA A 37 6.040 -8.016 -6.879 1.00 0.00 C ATOM 0 H ALA A 37 6.721 -5.436 -7.953 1.00 0.00 H new ATOM 0 HA ALA A 37 4.607 -7.447 -8.361 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.326 -8.593 -6.291 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.570 -8.681 -7.561 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.755 -7.536 -6.211 1.00 0.00 H new ATOM 518 N VAL A 38 3.163 -6.174 -6.836 1.00 0.00 N ATOM 519 CA VAL A 38 2.268 -5.366 -6.015 1.00 0.00 C ATOM 520 C VAL A 38 1.761 -6.147 -4.806 1.00 0.00 C ATOM 521 O VAL A 38 1.314 -7.287 -4.932 1.00 0.00 O ATOM 522 CB VAL A 38 1.059 -4.865 -6.829 1.00 0.00 C ATOM 523 CG1 VAL A 38 0.244 -6.039 -7.348 1.00 0.00 C ATOM 524 CG2 VAL A 38 0.197 -3.936 -5.989 1.00 0.00 C ATOM 0 H VAL A 38 2.688 -6.819 -7.467 1.00 0.00 H new ATOM 0 HA VAL A 38 2.849 -4.511 -5.670 1.00 0.00 H new ATOM 0 HB VAL A 38 1.428 -4.301 -7.686 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.606 -5.667 -7.920 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.869 -6.661 -7.989 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.116 -6.632 -6.507 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.651 -3.593 -6.581 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.166 -4.471 -5.111 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.789 -3.078 -5.672 1.00 0.00 H new ATOM 534 N ILE A 39 1.832 -5.520 -3.634 1.00 0.00 N ATOM 535 CA ILE A 39 1.379 -6.147 -2.397 1.00 0.00 C ATOM 536 C ILE A 39 0.282 -5.324 -1.727 1.00 0.00 C ATOM 537 O ILE A 39 0.205 -4.107 -1.906 1.00 0.00 O ATOM 538 CB ILE A 39 2.539 -6.345 -1.403 1.00 0.00 C ATOM 539 CG1 ILE A 39 3.053 -4.998 -0.896 1.00 0.00 C ATOM 540 CG2 ILE A 39 3.664 -7.142 -2.047 1.00 0.00 C ATOM 541 CD1 ILE A 39 2.459 -4.595 0.435 1.00 0.00 C ATOM 0 H ILE A 39 2.200 -4.576 -3.516 1.00 0.00 H new ATOM 0 HA ILE A 39 0.979 -7.123 -2.671 1.00 0.00 H new ATOM 0 HB ILE A 39 2.165 -6.909 -0.548 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.138 -5.042 -0.803 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.827 -4.229 -1.635 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.475 -7.272 -1.330 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.289 -8.119 -2.352 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.035 -6.607 -2.921 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.866 -3.630 0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.376 -4.519 0.342 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.707 -5.345 1.186 1.00 0.00 H new ATOM 553 N ARG A 40 -0.559 -5.996 -0.950 1.00 0.00 N ATOM 554 CA ARG A 40 -1.646 -5.334 -0.237 1.00 0.00 C ATOM 555 C ARG A 40 -1.362 -5.323 1.265 1.00 0.00 C ATOM 556 O ARG A 40 -0.845 -6.292 1.811 1.00 0.00 O ATOM 557 CB ARG A 40 -2.978 -6.045 -0.539 1.00 0.00 C ATOM 558 CG ARG A 40 -4.050 -5.877 0.532 1.00 0.00 C ATOM 559 CD ARG A 40 -5.448 -5.993 -0.053 1.00 0.00 C ATOM 560 NE ARG A 40 -5.634 -7.246 -0.781 1.00 0.00 N ATOM 561 CZ ARG A 40 -6.766 -7.584 -1.391 1.00 0.00 C ATOM 562 NH1 ARG A 40 -7.807 -6.763 -1.360 1.00 0.00 N ATOM 563 NH2 ARG A 40 -6.856 -8.740 -2.032 1.00 0.00 N ATOM 0 H ARG A 40 -0.509 -7.003 -0.797 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.721 -4.301 -0.576 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.368 -5.669 -1.485 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.783 -7.109 -0.674 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.915 -6.633 1.305 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.936 -4.906 1.013 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.183 -5.927 0.749 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.631 -5.153 -0.723 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.851 -7.898 -0.824 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.739 -5.872 -0.868 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.675 -7.023 -1.828 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.056 -9.372 -2.058 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.725 -8.998 -2.499 1.00 0.00 H new ATOM 577 N GLY A 41 -1.732 -4.232 1.929 1.00 0.00 N ATOM 578 CA GLY A 41 -1.515 -4.135 3.362 1.00 0.00 C ATOM 579 C GLY A 41 -0.648 -2.946 3.739 1.00 0.00 C ATOM 580 O GLY A 41 0.213 -2.532 2.963 1.00 0.00 O ATOM 0 H GLY A 41 -2.176 -3.418 1.504 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.477 -4.054 3.867 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.044 -5.051 3.718 1.00 0.00 H new ATOM 584 N VAL A 42 -0.880 -2.382 4.927 1.00 0.00 N ATOM 585 CA VAL A 42 -0.113 -1.221 5.367 1.00 0.00 C ATOM 586 C VAL A 42 0.827 -1.547 6.539 1.00 0.00 C ATOM 587 O VAL A 42 1.786 -2.296 6.360 1.00 0.00 O ATOM 588 CB VAL A 42 -1.013 -0.013 5.694 1.00 0.00 C ATOM 589 CG1 VAL A 42 -0.148 1.213 5.990 1.00 0.00 C ATOM 590 CG2 VAL A 42 -1.965 0.279 4.549 1.00 0.00 C ATOM 0 H VAL A 42 -1.583 -2.707 5.591 1.00 0.00 H new ATOM 0 HA VAL A 42 0.513 -0.939 4.521 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.608 -0.253 6.575 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.789 2.064 6.220 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.499 1.005 6.842 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.464 1.446 5.118 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.589 1.135 4.804 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.393 0.502 3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.598 -0.591 4.371 1.00 0.00 H new ATOM 600 N PHE A 43 0.660 -0.871 7.678 1.00 0.00 N ATOM 601 CA PHE A 43 1.582 -1.016 8.783 1.00 0.00 C ATOM 602 C PHE A 43 0.885 -1.182 10.126 1.00 0.00 C ATOM 603 O PHE A 43 -0.114 -0.519 10.411 1.00 0.00 O ATOM 604 CB PHE A 43 2.508 0.200 8.814 1.00 0.00 C ATOM 605 CG PHE A 43 1.840 1.457 9.291 1.00 0.00 C ATOM 606 CD1 PHE A 43 1.515 1.620 10.627 1.00 0.00 C ATOM 607 CD2 PHE A 43 1.547 2.478 8.404 1.00 0.00 C ATOM 608 CE1 PHE A 43 0.900 2.775 11.069 1.00 0.00 C ATOM 609 CE2 PHE A 43 0.935 3.639 8.839 1.00 0.00 C ATOM 610 CZ PHE A 43 0.611 3.787 10.173 1.00 0.00 C ATOM 0 H PHE A 43 -0.107 -0.221 7.849 1.00 0.00 H new ATOM 0 HA PHE A 43 2.152 -1.931 8.622 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.357 -0.018 9.462 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.906 0.368 7.813 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.745 0.835 11.332 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.799 2.367 7.360 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.645 2.887 12.113 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.711 4.428 8.137 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.132 4.692 10.516 1.00 0.00 H new ATOM 893 N SER A 64 5.695 -2.161 11.777 1.00 0.00 N ATOM 894 CA SER A 64 5.882 -3.208 10.783 1.00 0.00 C ATOM 895 C SER A 64 4.817 -3.093 9.702 1.00 0.00 C ATOM 896 O SER A 64 3.876 -2.315 9.839 1.00 0.00 O ATOM 897 CB SER A 64 5.863 -4.593 11.437 1.00 0.00 C ATOM 898 OG SER A 64 5.260 -5.558 10.591 1.00 0.00 O ATOM 0 HA SER A 64 6.860 -3.081 10.318 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.882 -4.900 11.672 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.319 -4.544 12.380 1.00 0.00 H new ATOM 0 HG SER A 64 5.265 -6.431 11.036 1.00 0.00 H new ATOM 904 N LEU A 65 4.990 -3.830 8.611 1.00 0.00 N ATOM 905 CA LEU A 65 4.071 -3.735 7.487 1.00 0.00 C ATOM 906 C LEU A 65 3.259 -5.016 7.329 1.00 0.00 C ATOM 907 O LEU A 65 3.746 -6.123 7.562 1.00 0.00 O ATOM 908 CB LEU A 65 4.835 -3.402 6.192 1.00 0.00 C ATOM 909 CG LEU A 65 4.187 -3.899 4.886 1.00 0.00 C ATOM 910 CD1 LEU A 65 4.597 -3.033 3.704 1.00 0.00 C ATOM 911 CD2 LEU A 65 4.551 -5.354 4.635 1.00 0.00 C ATOM 0 H LEU A 65 5.753 -4.495 8.482 1.00 0.00 H new ATOM 0 HA LEU A 65 3.371 -2.924 7.689 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.952 -2.320 6.129 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.836 -3.827 6.263 1.00 0.00 H new ATOM 0 HG LEU A 65 3.105 -3.823 4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.124 -3.408 2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.281 -2.005 3.879 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.680 -3.065 3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.086 -5.691 3.709 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.634 -5.449 4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.195 -5.966 5.463 1.00 0.00 H new ATOM 923 N PHE A 66 1.987 -4.821 7.013 1.00 0.00 N ATOM 924 CA PHE A 66 1.038 -5.907 6.841 1.00 0.00 C ATOM 925 C PHE A 66 0.943 -6.296 5.375 1.00 0.00 C ATOM 926 O PHE A 66 0.925 -5.434 4.498 1.00 0.00 O ATOM 927 CB PHE A 66 -0.338 -5.479 7.367 1.00 0.00 C ATOM 928 CG PHE A 66 -1.444 -6.442 7.033 1.00 0.00 C ATOM 929 CD1 PHE A 66 -1.520 -7.675 7.662 1.00 0.00 C ATOM 930 CD2 PHE A 66 -2.406 -6.112 6.093 1.00 0.00 C ATOM 931 CE1 PHE A 66 -2.535 -8.562 7.356 1.00 0.00 C ATOM 932 CE2 PHE A 66 -3.424 -6.995 5.783 1.00 0.00 C ATOM 933 CZ PHE A 66 -3.488 -8.221 6.415 1.00 0.00 C ATOM 0 H PHE A 66 1.583 -3.896 6.868 1.00 0.00 H new ATOM 0 HA PHE A 66 1.382 -6.773 7.407 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.283 -5.365 8.450 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.585 -4.500 6.956 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.778 -7.945 8.399 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.361 -5.154 5.596 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.583 -9.520 7.852 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.168 -6.726 5.048 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.282 -8.913 6.174 1.00 0.00 H new ATOM 943 N VAL A 67 0.952 -7.593 5.109 1.00 0.00 N ATOM 944 CA VAL A 67 0.874 -8.080 3.743 1.00 0.00 C ATOM 945 C VAL A 67 -0.152 -9.199 3.618 1.00 0.00 C ATOM 946 O VAL A 67 -0.326 -10.002 4.535 1.00 0.00 O ATOM 947 CB VAL A 67 2.244 -8.558 3.245 1.00 0.00 C ATOM 948 CG1 VAL A 67 2.720 -9.759 4.048 1.00 0.00 C ATOM 949 CG2 VAL A 67 2.192 -8.883 1.760 1.00 0.00 C ATOM 0 H VAL A 67 1.012 -8.323 5.818 1.00 0.00 H new ATOM 0 HA VAL A 67 0.554 -7.247 3.117 1.00 0.00 H new ATOM 0 HB VAL A 67 2.961 -7.750 3.390 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.693 -10.081 3.678 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.804 -9.483 5.099 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.004 -10.574 3.943 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.174 -9.220 1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.459 -9.671 1.585 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.906 -7.991 1.202 1.00 0.00 H new ATOM 959 N ARG A 68 -0.857 -9.220 2.492 1.00 0.00 N ATOM 960 CA ARG A 68 -1.914 -10.195 2.271 1.00 0.00 C ATOM 961 C ARG A 68 -1.466 -11.322 1.344 1.00 0.00 C ATOM 962 O ARG A 68 -2.253 -11.819 0.539 1.00 0.00 O ATOM 963 CB ARG A 68 -3.142 -9.496 1.686 1.00 0.00 C ATOM 964 CG ARG A 68 -3.988 -8.791 2.732 1.00 0.00 C ATOM 965 CD ARG A 68 -4.764 -9.779 3.583 1.00 0.00 C ATOM 966 NE ARG A 68 -5.465 -10.770 2.770 1.00 0.00 N ATOM 967 CZ ARG A 68 -5.936 -11.917 3.249 1.00 0.00 C ATOM 968 NH1 ARG A 68 -5.782 -12.216 4.531 1.00 0.00 N ATOM 969 NH2 ARG A 68 -6.561 -12.766 2.445 1.00 0.00 N ATOM 0 H ARG A 68 -0.714 -8.571 1.718 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.163 -10.642 3.233 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.817 -8.769 0.941 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.757 -10.231 1.167 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.346 -8.185 3.371 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.682 -8.110 2.240 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.080 -10.287 4.263 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.484 -9.240 4.198 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.601 -10.570 1.779 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.301 -11.565 5.152 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.144 -13.097 4.896 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.681 -12.539 1.458 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.922 -13.646 2.814 1.00 0.00 H new ATOM 983 N THR A 69 -0.209 -11.741 1.472 1.00 0.00 N ATOM 984 CA THR A 69 0.313 -12.829 0.649 1.00 0.00 C ATOM 985 C THR A 69 1.623 -13.388 1.225 1.00 0.00 C ATOM 986 O THR A 69 1.594 -14.142 2.198 1.00 0.00 O ATOM 987 CB THR A 69 0.493 -12.361 -0.799 1.00 0.00 C ATOM 988 OG1 THR A 69 -0.746 -11.955 -1.354 1.00 0.00 O ATOM 989 CG2 THR A 69 1.075 -13.424 -1.704 1.00 0.00 C ATOM 0 H THR A 69 0.462 -11.348 2.132 1.00 0.00 H new ATOM 0 HA THR A 69 -0.413 -13.642 0.657 1.00 0.00 H new ATOM 0 HB THR A 69 1.194 -11.528 -0.747 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.479 -12.278 -0.790 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.176 -13.027 -2.714 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.055 -13.722 -1.332 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.414 -14.290 -1.719 1.00 0.00 H new ATOM 997 N ASP A 70 2.768 -13.038 0.626 1.00 0.00 N ATOM 998 CA ASP A 70 4.060 -13.535 1.095 1.00 0.00 C ATOM 999 C ASP A 70 5.196 -13.004 0.224 1.00 0.00 C ATOM 1000 O ASP A 70 6.163 -13.714 -0.051 1.00 0.00 O ATOM 1001 CB ASP A 70 4.079 -15.066 1.084 1.00 0.00 C ATOM 1002 CG ASP A 70 5.350 -15.631 1.687 1.00 0.00 C ATOM 1003 OD1 ASP A 70 6.068 -14.875 2.376 1.00 0.00 O ATOM 1004 OD2 ASP A 70 5.626 -16.830 1.474 1.00 0.00 O ATOM 0 H ASP A 70 2.823 -12.416 -0.180 1.00 0.00 H new ATOM 0 HA ASP A 70 4.205 -13.181 2.116 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.219 -15.442 1.638 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.977 -15.421 0.058 1.00 0.00 H new ATOM 1009 N GLU A 71 5.064 -11.759 -0.218 1.00 0.00 N ATOM 1010 CA GLU A 71 6.080 -11.131 -1.050 1.00 0.00 C ATOM 1011 C GLU A 71 6.988 -10.252 -0.202 1.00 0.00 C ATOM 1012 O GLU A 71 8.213 -10.329 -0.302 1.00 0.00 O ATOM 1013 CB GLU A 71 5.426 -10.303 -2.158 1.00 0.00 C ATOM 1014 CG GLU A 71 5.541 -10.935 -3.536 1.00 0.00 C ATOM 1015 CD GLU A 71 4.515 -10.398 -4.514 1.00 0.00 C ATOM 1016 OE1 GLU A 71 3.543 -9.757 -4.063 1.00 0.00 O ATOM 1017 OE2 GLU A 71 4.683 -10.620 -5.732 1.00 0.00 O ATOM 0 H GLU A 71 4.261 -11.164 -0.013 1.00 0.00 H new ATOM 0 HA GLU A 71 6.682 -11.914 -1.511 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.372 -10.160 -1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.885 -9.315 -2.181 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.541 -10.756 -3.931 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.422 -12.015 -3.447 1.00 0.00 H new ATOM 1024 N VAL A 72 6.381 -9.436 0.651 1.00 0.00 N ATOM 1025 CA VAL A 72 7.138 -8.571 1.544 1.00 0.00 C ATOM 1026 C VAL A 72 8.158 -9.384 2.326 1.00 0.00 C ATOM 1027 O VAL A 72 9.272 -8.926 2.580 1.00 0.00 O ATOM 1028 CB VAL A 72 6.218 -7.837 2.524 1.00 0.00 C ATOM 1029 CG1 VAL A 72 5.276 -6.911 1.769 1.00 0.00 C ATOM 1030 CG2 VAL A 72 5.450 -8.836 3.375 1.00 0.00 C ATOM 0 H VAL A 72 5.368 -9.356 0.742 1.00 0.00 H new ATOM 0 HA VAL A 72 7.650 -7.832 0.929 1.00 0.00 H new ATOM 0 HB VAL A 72 6.825 -7.226 3.192 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.628 -6.395 2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.857 -6.178 1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.667 -7.495 1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.800 -8.301 4.067 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.846 -9.475 2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.153 -9.450 3.938 1.00 0.00 H new ATOM 1040 N ARG A 73 7.782 -10.612 2.667 1.00 0.00 N ATOM 1041 CA ARG A 73 8.688 -11.523 3.347 1.00 0.00 C ATOM 1042 C ARG A 73 9.976 -11.659 2.543 1.00 0.00 C ATOM 1043 O ARG A 73 11.058 -11.859 3.095 1.00 0.00 O ATOM 1044 CB ARG A 73 8.025 -12.892 3.505 1.00 0.00 C ATOM 1045 CG ARG A 73 8.573 -13.713 4.658 1.00 0.00 C ATOM 1046 CD ARG A 73 9.871 -14.408 4.279 1.00 0.00 C ATOM 1047 NE ARG A 73 9.706 -15.855 4.175 1.00 0.00 N ATOM 1048 CZ ARG A 73 10.615 -16.663 3.639 1.00 0.00 C ATOM 1049 NH1 ARG A 73 11.748 -16.167 3.161 1.00 0.00 N ATOM 1050 NH2 ARG A 73 10.391 -17.969 3.580 1.00 0.00 N ATOM 0 H ARG A 73 6.856 -10.997 2.483 1.00 0.00 H new ATOM 0 HA ARG A 73 8.923 -11.127 4.335 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.954 -12.751 3.649 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.151 -13.454 2.580 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.743 -13.066 5.518 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.835 -14.457 4.960 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.229 -14.014 3.327 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.634 -14.183 5.024 1.00 0.00 H new ATOM 0 HE ARG A 73 8.845 -16.269 4.534 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.924 -15.163 3.204 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.444 -16.789 2.750 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.520 -18.354 3.946 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.089 -18.588 3.168 1.00 0.00 H new ATOM 1064 N GLN A 74 9.838 -11.524 1.229 1.00 0.00 N ATOM 1065 CA GLN A 74 10.964 -11.611 0.310 1.00 0.00 C ATOM 1066 C GLN A 74 11.602 -10.242 0.089 1.00 0.00 C ATOM 1067 O GLN A 74 12.746 -10.149 -0.356 1.00 0.00 O ATOM 1068 CB GLN A 74 10.489 -12.186 -1.026 1.00 0.00 C ATOM 1069 CG GLN A 74 9.446 -13.283 -0.881 1.00 0.00 C ATOM 1070 CD GLN A 74 9.443 -14.243 -2.055 1.00 0.00 C ATOM 1071 OE1 GLN A 74 10.044 -13.972 -3.095 1.00 0.00 O ATOM 1072 NE2 GLN A 74 8.768 -15.374 -1.892 1.00 0.00 N ATOM 0 H GLN A 74 8.943 -11.351 0.772 1.00 0.00 H new ATOM 0 HA GLN A 74 11.716 -12.267 0.747 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.075 -11.380 -1.632 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.348 -12.582 -1.567 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.634 -13.839 0.038 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.459 -12.831 -0.784 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.284 -15.557 -1.013 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.733 -16.060 -2.646 1.00 0.00 H new ATOM 1081 N LEU A 75 10.856 -9.184 0.401 1.00 0.00 N ATOM 1082 CA LEU A 75 11.349 -7.823 0.251 1.00 0.00 C ATOM 1083 C LEU A 75 12.499 -7.553 1.215 1.00 0.00 C ATOM 1084 O LEU A 75 12.368 -6.767 2.153 1.00 0.00 O ATOM 1085 CB LEU A 75 10.223 -6.820 0.482 1.00 0.00 C ATOM 1086 CG LEU A 75 9.488 -6.392 -0.756 1.00 0.00 C ATOM 1087 CD1 LEU A 75 9.155 -7.602 -1.620 1.00 0.00 C ATOM 1088 CD2 LEU A 75 8.222 -5.657 -0.349 1.00 0.00 C ATOM 0 H LEU A 75 9.904 -9.248 0.761 1.00 0.00 H new ATOM 0 HA LEU A 75 11.720 -7.707 -0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.507 -7.255 1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.639 -5.935 0.963 1.00 0.00 H new ATOM 0 HG LEU A 75 10.118 -5.725 -1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.623 -7.276 -2.513 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.077 -8.106 -1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.527 -8.291 -1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.681 -5.342 -1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.591 -6.320 0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.485 -4.781 0.244 1.00 0.00 H new ATOM 1100 N ARG A 76 13.622 -8.220 0.980 1.00 0.00 N ATOM 1101 CA ARG A 76 14.795 -8.076 1.830 1.00 0.00 C ATOM 1102 C ARG A 76 15.323 -6.644 1.799 1.00 0.00 C ATOM 1103 O ARG A 76 15.149 -5.927 0.814 1.00 0.00 O ATOM 1104 CB ARG A 76 15.882 -9.057 1.386 1.00 0.00 C ATOM 1105 CG ARG A 76 15.371 -10.477 1.173 1.00 0.00 C ATOM 1106 CD ARG A 76 15.850 -11.410 2.275 1.00 0.00 C ATOM 1107 NE ARG A 76 15.257 -12.740 2.165 1.00 0.00 N ATOM 1108 CZ ARG A 76 15.669 -13.660 1.298 1.00 0.00 C ATOM 1109 NH1 ARG A 76 16.667 -13.394 0.469 1.00 0.00 N ATOM 1110 NH2 ARG A 76 15.079 -14.848 1.259 1.00 0.00 N ATOM 0 H ARG A 76 13.744 -8.869 0.203 1.00 0.00 H new ATOM 0 HA ARG A 76 14.507 -8.303 2.857 1.00 0.00 H new ATOM 0 HB2 ARG A 76 16.328 -8.697 0.459 1.00 0.00 H new ATOM 0 HB3 ARG A 76 16.674 -9.073 2.135 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.281 -10.473 1.146 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.713 -10.847 0.206 1.00 0.00 H new ATOM 0 HD2 ARG A 76 16.936 -11.493 2.232 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.601 -10.982 3.246 1.00 0.00 H new ATOM 0 HE ARG A 76 14.484 -12.976 2.788 1.00 0.00 H new ATOM 0 HH11 ARG A 76 17.122 -12.481 0.495 1.00 0.00 H new ATOM 0 HH12 ARG A 76 16.981 -14.102 -0.195 1.00 0.00 H new ATOM 0 HH21 ARG A 76 14.309 -15.056 1.894 1.00 0.00 H new ATOM 0 HH22 ARG A 76 15.396 -15.553 0.594 1.00 0.00 H new ATOM 1124 N ARG A 77 15.962 -6.232 2.892 1.00 0.00 N ATOM 1125 CA ARG A 77 16.502 -4.883 3.015 1.00 0.00 C ATOM 1126 C ARG A 77 17.224 -4.438 1.747 1.00 0.00 C ATOM 1127 O ARG A 77 18.000 -5.195 1.163 1.00 0.00 O ATOM 1128 CB ARG A 77 17.464 -4.826 4.198 1.00 0.00 C ATOM 1129 CG ARG A 77 17.688 -3.427 4.740 1.00 0.00 C ATOM 1130 CD ARG A 77 18.417 -3.470 6.071 1.00 0.00 C ATOM 1131 NE ARG A 77 18.270 -2.226 6.820 1.00 0.00 N ATOM 1132 CZ ARG A 77 19.034 -1.896 7.857 1.00 0.00 C ATOM 1133 NH1 ARG A 77 19.993 -2.717 8.264 1.00 0.00 N ATOM 1134 NH2 ARG A 77 18.839 -0.747 8.488 1.00 0.00 N ATOM 0 H ARG A 77 16.118 -6.820 3.711 1.00 0.00 H new ATOM 0 HA ARG A 77 15.665 -4.203 3.175 1.00 0.00 H new ATOM 0 HB2 ARG A 77 17.079 -5.458 4.998 1.00 0.00 H new ATOM 0 HB3 ARG A 77 18.423 -5.246 3.895 1.00 0.00 H new ATOM 0 HG2 ARG A 77 18.266 -2.844 4.023 1.00 0.00 H new ATOM 0 HG3 ARG A 77 16.729 -2.923 4.862 1.00 0.00 H new ATOM 0 HD2 ARG A 77 18.034 -4.298 6.667 1.00 0.00 H new ATOM 0 HD3 ARG A 77 19.475 -3.665 5.898 1.00 0.00 H new ATOM 0 HE ARG A 77 17.541 -1.574 6.532 1.00 0.00 H new ATOM 0 HH11 ARG A 77 20.145 -3.603 7.781 1.00 0.00 H new ATOM 0 HH12 ARG A 77 20.578 -2.463 9.060 1.00 0.00 H new ATOM 0 HH21 ARG A 77 18.102 -0.114 8.178 1.00 0.00 H new ATOM 0 HH22 ARG A 77 19.426 -0.496 9.283 1.00 0.00 H new ATOM 1148 N GLY A 78 16.992 -3.189 1.350 1.00 0.00 N ATOM 1149 CA GLY A 78 17.637 -2.654 0.164 1.00 0.00 C ATOM 1150 C GLY A 78 16.699 -2.606 -1.024 1.00 0.00 C ATOM 1151 O GLY A 78 17.113 -2.818 -2.162 1.00 0.00 O ATOM 0 H GLY A 78 16.369 -2.539 1.829 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.006 -1.650 0.374 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.504 -3.267 -0.084 1.00 0.00 H new ATOM 1155 N ASP A 79 15.430 -2.338 -0.749 1.00 0.00 N ATOM 1156 CA ASP A 79 14.414 -2.281 -1.789 1.00 0.00 C ATOM 1157 C ASP A 79 13.430 -1.142 -1.537 1.00 0.00 C ATOM 1158 O ASP A 79 13.132 -0.806 -0.391 1.00 0.00 O ATOM 1159 CB ASP A 79 13.658 -3.610 -1.849 1.00 0.00 C ATOM 1160 CG ASP A 79 14.515 -4.743 -2.380 1.00 0.00 C ATOM 1161 OD1 ASP A 79 15.548 -4.456 -3.020 1.00 0.00 O ATOM 1162 OD2 ASP A 79 14.152 -5.916 -2.156 1.00 0.00 O ATOM 0 H ASP A 79 15.079 -2.156 0.191 1.00 0.00 H new ATOM 0 HA ASP A 79 14.913 -2.098 -2.741 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.300 -3.866 -0.852 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.779 -3.496 -2.483 1.00 0.00 H new ATOM 1167 N THR A 80 12.919 -0.564 -2.617 1.00 0.00 N ATOM 1168 CA THR A 80 11.936 0.512 -2.522 1.00 0.00 C ATOM 1169 C THR A 80 10.582 0.019 -3.019 1.00 0.00 C ATOM 1170 O THR A 80 10.516 -0.880 -3.857 1.00 0.00 O ATOM 1171 CB THR A 80 12.385 1.723 -3.340 1.00 0.00 C ATOM 1172 OG1 THR A 80 13.751 2.013 -3.098 1.00 0.00 O ATOM 1173 CG2 THR A 80 11.589 2.975 -3.048 1.00 0.00 C ATOM 0 H THR A 80 13.169 -0.822 -3.572 1.00 0.00 H new ATOM 0 HA THR A 80 11.848 0.814 -1.478 1.00 0.00 H new ATOM 0 HB THR A 80 12.219 1.445 -4.381 1.00 0.00 H new ATOM 0 HG1 THR A 80 14.020 2.790 -3.632 1.00 0.00 H new ATOM 0 HG21 THR A 80 11.961 3.794 -3.663 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.538 2.799 -3.275 1.00 0.00 H new ATOM 0 HG23 THR A 80 11.694 3.235 -1.995 1.00 0.00 H new ATOM 1181 N LEU A 81 9.502 0.576 -2.482 1.00 0.00 N ATOM 1182 CA LEU A 81 8.169 0.154 -2.877 1.00 0.00 C ATOM 1183 C LEU A 81 7.220 1.348 -2.868 1.00 0.00 C ATOM 1184 O LEU A 81 7.453 2.323 -2.157 1.00 0.00 O ATOM 1185 CB LEU A 81 7.654 -0.964 -1.949 1.00 0.00 C ATOM 1186 CG LEU A 81 8.626 -1.425 -0.854 1.00 0.00 C ATOM 1187 CD1 LEU A 81 7.857 -1.907 0.367 1.00 0.00 C ATOM 1188 CD2 LEU A 81 9.550 -2.503 -1.387 1.00 0.00 C ATOM 0 H LEU A 81 9.525 1.314 -1.778 1.00 0.00 H new ATOM 0 HA LEU A 81 8.214 -0.247 -3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.736 -0.620 -1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.391 -1.826 -2.562 1.00 0.00 H new ATOM 0 HG LEU A 81 9.242 -0.579 -0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.559 -2.231 1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.244 -1.094 0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.216 -2.743 0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.233 -2.819 -0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.959 -3.357 -1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.123 -2.109 -2.227 1.00 0.00 H new ATOM 1200 N THR A 82 6.180 1.296 -3.695 1.00 0.00 N ATOM 1201 CA THR A 82 5.232 2.401 -3.789 1.00 0.00 C ATOM 1202 C THR A 82 3.857 2.003 -3.269 1.00 0.00 C ATOM 1203 O THR A 82 3.223 1.105 -3.813 1.00 0.00 O ATOM 1204 CB THR A 82 5.105 2.867 -5.238 1.00 0.00 C ATOM 1205 OG1 THR A 82 5.406 1.811 -6.134 1.00 0.00 O ATOM 1206 CG2 THR A 82 6.001 4.032 -5.580 1.00 0.00 C ATOM 0 H THR A 82 5.973 0.506 -4.306 1.00 0.00 H new ATOM 0 HA THR A 82 5.615 3.213 -3.171 1.00 0.00 H new ATOM 0 HB THR A 82 4.070 3.191 -5.343 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.317 2.129 -7.057 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.857 4.308 -6.625 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.753 4.881 -4.943 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.042 3.750 -5.420 1.00 0.00 H new ATOM 1214 N ILE A 83 3.378 2.713 -2.250 1.00 0.00 N ATOM 1215 CA ILE A 83 2.066 2.420 -1.671 1.00 0.00 C ATOM 1216 C ILE A 83 1.210 3.676 -1.539 1.00 0.00 C ATOM 1217 O ILE A 83 1.693 4.727 -1.123 1.00 0.00 O ATOM 1218 CB ILE A 83 2.196 1.744 -0.289 1.00 0.00 C ATOM 1219 CG1 ILE A 83 0.841 1.206 0.182 1.00 0.00 C ATOM 1220 CG2 ILE A 83 2.766 2.711 0.730 1.00 0.00 C ATOM 1221 CD1 ILE A 83 0.854 0.695 1.609 1.00 0.00 C ATOM 0 H ILE A 83 3.873 3.489 -1.810 1.00 0.00 H new ATOM 0 HA ILE A 83 1.574 1.733 -2.359 1.00 0.00 H new ATOM 0 HB ILE A 83 2.883 0.904 -0.387 1.00 0.00 H new ATOM 0 HG12 ILE A 83 0.095 1.996 0.095 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.529 0.399 -0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.849 2.214 1.697 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.753 3.041 0.406 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.106 3.574 0.821 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.138 0.330 1.874 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.575 -0.117 1.698 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.134 1.505 2.283 1.00 0.00 H new ATOM 1233 N GLY A 84 -0.070 3.553 -1.898 1.00 0.00 N ATOM 1234 CA GLY A 84 -0.995 4.673 -1.803 1.00 0.00 C ATOM 1235 C GLY A 84 -0.384 5.979 -2.262 1.00 0.00 C ATOM 1236 O GLY A 84 -0.416 6.308 -3.448 1.00 0.00 O ATOM 0 H GLY A 84 -0.483 2.691 -2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -1.879 4.460 -2.404 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -1.328 4.776 -0.770 1.00 0.00 H new ATOM 1240 N GLU A 85 0.183 6.718 -1.318 1.00 0.00 N ATOM 1241 CA GLU A 85 0.855 7.971 -1.632 1.00 0.00 C ATOM 1242 C GLU A 85 1.892 7.739 -2.726 1.00 0.00 C ATOM 1243 O GLU A 85 2.102 8.603 -3.574 1.00 0.00 O ATOM 1244 CB GLU A 85 1.524 8.549 -0.383 1.00 0.00 C ATOM 1245 CG GLU A 85 0.608 8.613 0.830 1.00 0.00 C ATOM 1246 CD GLU A 85 -0.603 9.497 0.602 1.00 0.00 C ATOM 1247 OE1 GLU A 85 -1.543 9.049 -0.087 1.00 0.00 O ATOM 1248 OE2 GLU A 85 -0.611 10.637 1.114 1.00 0.00 O ATOM 0 H GLU A 85 0.191 6.471 -0.328 1.00 0.00 H new ATOM 0 HA GLU A 85 0.115 8.688 -1.987 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.396 7.944 -0.136 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.885 9.553 -0.607 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.276 7.606 1.083 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.170 8.987 1.686 1.00 0.00 H new ATOM 1255 N GLU A 86 2.489 6.536 -2.690 1.00 0.00 N ATOM 1256 CA GLU A 86 3.491 6.054 -3.661 1.00 0.00 C ATOM 1257 C GLU A 86 4.840 5.816 -3.006 1.00 0.00 C ATOM 1258 O GLU A 86 5.864 5.859 -3.679 1.00 0.00 O ATOM 1259 CB GLU A 86 3.705 6.985 -4.863 1.00 0.00 C ATOM 1260 CG GLU A 86 2.563 7.006 -5.868 1.00 0.00 C ATOM 1261 CD GLU A 86 1.865 5.665 -6.022 1.00 0.00 C ATOM 1262 OE1 GLU A 86 2.309 4.859 -6.865 1.00 0.00 O ATOM 1263 OE2 GLU A 86 0.877 5.424 -5.299 1.00 0.00 O ATOM 0 H GLU A 86 2.283 5.850 -1.964 1.00 0.00 H new ATOM 0 HA GLU A 86 3.070 5.119 -4.030 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.865 7.999 -4.495 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.618 6.685 -5.378 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.832 7.754 -5.560 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.949 7.319 -6.838 1.00 0.00 H new ATOM 1270 N ASN A 87 4.875 5.662 -1.692 1.00 0.00 N ATOM 1271 CA ASN A 87 6.152 5.395 -1.051 1.00 0.00 C ATOM 1272 C ASN A 87 6.064 4.454 0.127 1.00 0.00 C ATOM 1273 O ASN A 87 5.425 4.748 1.122 1.00 0.00 O ATOM 1274 CB ASN A 87 6.835 6.673 -0.606 1.00 0.00 C ATOM 1275 CG ASN A 87 8.197 6.421 0.014 1.00 0.00 C ATOM 1276 OD1 ASN A 87 8.315 5.703 1.007 1.00 0.00 O ATOM 1277 ND2 ASN A 87 9.233 7.009 -0.572 1.00 0.00 N ATOM 0 H ASN A 87 4.069 5.714 -1.069 1.00 0.00 H new ATOM 0 HA ASN A 87 6.745 4.903 -1.822 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.947 7.338 -1.462 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.201 7.187 0.116 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.173 6.874 -0.201 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.089 7.596 -1.394 1.00 0.00 H new ATOM 1284 N PHE A 88 6.795 3.369 0.020 1.00 0.00 N ATOM 1285 CA PHE A 88 7.016 2.458 1.116 1.00 0.00 C ATOM 1286 C PHE A 88 8.441 1.961 1.013 1.00 0.00 C ATOM 1287 O PHE A 88 8.807 1.322 0.038 1.00 0.00 O ATOM 1288 CB PHE A 88 6.035 1.284 1.096 1.00 0.00 C ATOM 1289 CG PHE A 88 4.941 1.328 2.130 1.00 0.00 C ATOM 1290 CD1 PHE A 88 4.714 2.460 2.893 1.00 0.00 C ATOM 1291 CD2 PHE A 88 4.169 0.204 2.371 1.00 0.00 C ATOM 1292 CE1 PHE A 88 3.722 2.483 3.855 1.00 0.00 C ATOM 1293 CE2 PHE A 88 3.179 0.217 3.335 1.00 0.00 C ATOM 1294 CZ PHE A 88 2.952 1.359 4.076 1.00 0.00 C ATOM 0 H PHE A 88 7.259 3.091 -0.845 1.00 0.00 H new ATOM 0 HA PHE A 88 6.850 2.979 2.059 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.575 1.236 0.109 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.599 0.361 1.230 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.321 3.339 2.734 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.343 -0.695 1.798 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.550 3.379 4.433 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.583 -0.667 3.509 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.175 1.373 4.826 1.00 0.00 H new ATOM 1304 N TRP A 89 9.262 2.352 1.959 1.00 0.00 N ATOM 1305 CA TRP A 89 10.674 1.965 1.948 1.00 0.00 C ATOM 1306 C TRP A 89 10.927 0.869 2.970 1.00 0.00 C ATOM 1307 O TRP A 89 10.393 0.911 4.075 1.00 0.00 O ATOM 1308 CB TRP A 89 11.570 3.173 2.226 1.00 0.00 C ATOM 1309 CG TRP A 89 13.006 2.943 1.870 1.00 0.00 C ATOM 1310 CD1 TRP A 89 13.484 2.326 0.749 1.00 0.00 C ATOM 1311 CD2 TRP A 89 14.152 3.328 2.636 1.00 0.00 C ATOM 1312 NE1 TRP A 89 14.857 2.304 0.772 1.00 0.00 N ATOM 1313 CE2 TRP A 89 15.291 2.914 1.920 1.00 0.00 C ATOM 1314 CE3 TRP A 89 14.326 3.984 3.858 1.00 0.00 C ATOM 1315 CZ2 TRP A 89 16.585 3.133 2.387 1.00 0.00 C ATOM 1316 CZ3 TRP A 89 15.611 4.201 4.320 1.00 0.00 C ATOM 1317 CH2 TRP A 89 16.726 3.777 3.586 1.00 0.00 C ATOM 0 H TRP A 89 8.988 2.937 2.749 1.00 0.00 H new ATOM 0 HA TRP A 89 10.918 1.582 0.957 1.00 0.00 H new ATOM 0 HB2 TRP A 89 11.197 4.030 1.665 1.00 0.00 H new ATOM 0 HB3 TRP A 89 11.502 3.431 3.283 1.00 0.00 H new ATOM 0 HD1 TRP A 89 12.872 1.915 -0.040 1.00 0.00 H new ATOM 0 HE1 TRP A 89 15.456 1.900 0.052 1.00 0.00 H new ATOM 0 HE3 TRP A 89 13.472 4.315 4.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 17.446 2.806 1.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 15.758 4.706 5.263 1.00 0.00 H new ATOM 0 HH2 TRP A 89 17.717 3.962 3.974 1.00 0.00 H new ATOM 1328 N VAL A 90 11.784 -0.084 2.627 1.00 0.00 N ATOM 1329 CA VAL A 90 11.999 -1.224 3.502 1.00 0.00 C ATOM 1330 C VAL A 90 13.025 -0.916 4.582 1.00 0.00 C ATOM 1331 O VAL A 90 14.220 -0.772 4.322 1.00 0.00 O ATOM 1332 CB VAL A 90 12.435 -2.481 2.712 1.00 0.00 C ATOM 1333 CG1 VAL A 90 13.870 -2.360 2.217 1.00 0.00 C ATOM 1334 CG2 VAL A 90 12.263 -3.730 3.564 1.00 0.00 C ATOM 0 H VAL A 90 12.331 -0.090 1.766 1.00 0.00 H new ATOM 0 HA VAL A 90 11.041 -1.431 3.979 1.00 0.00 H new ATOM 0 HB VAL A 90 11.792 -2.564 1.836 1.00 0.00 H new ATOM 0 HG11 VAL A 90 14.142 -3.261 1.667 1.00 0.00 H new ATOM 0 HG12 VAL A 90 13.957 -1.494 1.561 1.00 0.00 H new ATOM 0 HG13 VAL A 90 14.540 -2.239 3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 90 12.574 -4.605 2.994 1.00 0.00 H new ATOM 0 HG22 VAL A 90 12.876 -3.645 4.462 1.00 0.00 H new ATOM 0 HG23 VAL A 90 11.216 -3.835 3.848 1.00 0.00 H new ATOM 1344 N ASP A 91 12.520 -0.805 5.800 1.00 0.00 N ATOM 1345 CA ASP A 91 13.344 -0.551 6.967 1.00 0.00 C ATOM 1346 C ASP A 91 13.874 -1.862 7.554 1.00 0.00 C ATOM 1347 O ASP A 91 14.658 -1.854 8.502 1.00 0.00 O ATOM 1348 CB ASP A 91 12.511 0.187 8.012 1.00 0.00 C ATOM 1349 CG ASP A 91 13.360 0.864 9.070 1.00 0.00 C ATOM 1350 OD1 ASP A 91 14.521 0.445 9.259 1.00 0.00 O ATOM 1351 OD2 ASP A 91 12.867 1.821 9.703 1.00 0.00 O ATOM 0 H ASP A 91 11.525 -0.889 6.006 1.00 0.00 H new ATOM 0 HA ASP A 91 14.198 0.059 6.673 1.00 0.00 H new ATOM 0 HB2 ASP A 91 11.893 0.935 7.515 1.00 0.00 H new ATOM 0 HB3 ASP A 91 11.833 -0.518 8.493 1.00 0.00 H new ATOM 1356 N ARG A 92 13.436 -2.987 6.978 1.00 0.00 N ATOM 1357 CA ARG A 92 13.835 -4.318 7.433 1.00 0.00 C ATOM 1358 C ARG A 92 15.294 -4.368 7.867 1.00 0.00 C ATOM 1359 O ARG A 92 16.097 -3.508 7.506 1.00 0.00 O ATOM 1360 CB ARG A 92 13.589 -5.341 6.326 1.00 0.00 C ATOM 1361 CG ARG A 92 12.129 -5.732 6.197 1.00 0.00 C ATOM 1362 CD ARG A 92 11.937 -7.234 6.334 1.00 0.00 C ATOM 1363 NE ARG A 92 12.188 -7.938 5.080 1.00 0.00 N ATOM 1364 CZ ARG A 92 12.169 -9.261 4.965 1.00 0.00 C ATOM 1365 NH1 ARG A 92 11.911 -10.017 6.024 1.00 0.00 N ATOM 1366 NH2 ARG A 92 12.407 -9.831 3.791 1.00 0.00 N ATOM 0 H ARG A 92 12.796 -2.998 6.184 1.00 0.00 H new ATOM 0 HA ARG A 92 13.227 -4.559 8.305 1.00 0.00 H new ATOM 0 HB2 ARG A 92 13.936 -4.932 5.377 1.00 0.00 H new ATOM 0 HB3 ARG A 92 14.183 -6.233 6.524 1.00 0.00 H new ATOM 0 HG2 ARG A 92 11.546 -5.219 6.961 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.748 -5.403 5.230 1.00 0.00 H new ATOM 0 HD2 ARG A 92 12.608 -7.616 7.104 1.00 0.00 H new ATOM 0 HD3 ARG A 92 10.920 -7.440 6.667 1.00 0.00 H new ATOM 0 HE ARG A 92 12.389 -7.384 4.247 1.00 0.00 H new ATOM 0 HH11 ARG A 92 11.727 -9.582 6.928 1.00 0.00 H new ATOM 0 HH12 ARG A 92 11.897 -11.033 5.934 1.00 0.00 H new ATOM 0 HH21 ARG A 92 12.605 -9.253 2.974 1.00 0.00 H new ATOM 0 HH22 ARG A 92 12.392 -10.847 3.705 1.00 0.00 H new ATOM 1499 N LEU A 103 8.711 -7.297 8.722 1.00 0.00 N ATOM 1500 CA LEU A 103 8.593 -6.202 7.779 1.00 0.00 C ATOM 1501 C LEU A 103 8.532 -4.853 8.485 1.00 0.00 C ATOM 1502 O LEU A 103 7.451 -4.342 8.750 1.00 0.00 O ATOM 1503 CB LEU A 103 7.326 -6.402 6.945 1.00 0.00 C ATOM 1504 CG LEU A 103 7.541 -6.679 5.454 1.00 0.00 C ATOM 1505 CD1 LEU A 103 7.709 -5.375 4.686 1.00 0.00 C ATOM 1506 CD2 LEU A 103 8.741 -7.591 5.234 1.00 0.00 C ATOM 0 HA LEU A 103 9.476 -6.201 7.141 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.762 -7.232 7.371 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.706 -5.511 7.043 1.00 0.00 H new ATOM 0 HG LEU A 103 6.656 -7.191 5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 103 7.861 -5.592 3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.814 -4.764 4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.573 -4.834 5.073 1.00 0.00 H new ATOM 0 HD21 LEU A 103 8.870 -7.771 4.167 1.00 0.00 H new ATOM 0 HD22 LEU A 103 9.637 -7.116 5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.575 -8.540 5.744 1.00 0.00 H new ATOM 1518 N TRP A 104 9.691 -4.237 8.696 1.00 0.00 N ATOM 1519 CA TRP A 104 9.755 -2.916 9.309 1.00 0.00 C ATOM 1520 C TRP A 104 9.869 -1.875 8.204 1.00 0.00 C ATOM 1521 O TRP A 104 10.727 -1.981 7.326 1.00 0.00 O ATOM 1522 CB TRP A 104 10.939 -2.834 10.274 1.00 0.00 C ATOM 1523 CG TRP A 104 11.199 -1.458 10.815 1.00 0.00 C ATOM 1524 CD1 TRP A 104 10.351 -0.385 10.791 1.00 0.00 C ATOM 1525 CD2 TRP A 104 12.387 -1.014 11.481 1.00 0.00 C ATOM 1526 NE1 TRP A 104 10.945 0.697 11.395 1.00 0.00 N ATOM 1527 CE2 TRP A 104 12.194 0.336 11.826 1.00 0.00 C ATOM 1528 CE3 TRP A 104 13.598 -1.629 11.816 1.00 0.00 C ATOM 1529 CZ2 TRP A 104 13.167 1.083 12.488 1.00 0.00 C ATOM 1530 CZ3 TRP A 104 14.562 -0.886 12.473 1.00 0.00 C ATOM 1531 CH2 TRP A 104 14.341 0.456 12.803 1.00 0.00 C ATOM 0 H TRP A 104 10.599 -4.632 8.451 1.00 0.00 H new ATOM 0 HA TRP A 104 8.851 -2.726 9.888 1.00 0.00 H new ATOM 0 HB2 TRP A 104 10.761 -3.512 11.108 1.00 0.00 H new ATOM 0 HB3 TRP A 104 11.835 -3.186 9.763 1.00 0.00 H new ATOM 0 HD1 TRP A 104 9.360 -0.388 10.361 1.00 0.00 H new ATOM 0 HE1 TRP A 104 10.524 1.620 11.505 1.00 0.00 H new ATOM 0 HE3 TRP A 104 13.777 -2.664 11.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 13.000 2.119 12.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 15.501 -1.349 12.736 1.00 0.00 H new ATOM 0 HH2 TRP A 104 15.114 1.008 13.317 1.00 0.00 H new ATOM 1542 N LEU A 105 8.938 -0.929 8.193 1.00 0.00 N ATOM 1543 CA LEU A 105 8.822 0.008 7.091 1.00 0.00 C ATOM 1544 C LEU A 105 9.333 1.413 7.380 1.00 0.00 C ATOM 1545 O LEU A 105 9.502 1.829 8.526 1.00 0.00 O ATOM 1546 CB LEU A 105 7.364 0.106 6.659 1.00 0.00 C ATOM 1547 CG LEU A 105 7.008 -0.569 5.339 1.00 0.00 C ATOM 1548 CD1 LEU A 105 5.704 -0.013 4.847 1.00 0.00 C ATOM 1549 CD2 LEU A 105 8.068 -0.365 4.270 1.00 0.00 C ATOM 0 H LEU A 105 8.254 -0.793 8.937 1.00 0.00 H new ATOM 0 HA LEU A 105 9.461 -0.395 6.305 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.744 -0.327 7.444 1.00 0.00 H new ATOM 0 HB3 LEU A 105 7.098 1.161 6.588 1.00 0.00 H new ATOM 0 HG LEU A 105 6.938 -1.640 5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 105 5.439 -0.489 3.903 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.924 -0.208 5.583 1.00 0.00 H new ATOM 0 HD13 LEU A 105 5.800 1.062 4.697 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.761 -0.867 3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.190 0.701 4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 105 9.015 -0.782 4.612 1.00 0.00 H new ATOM 1561 N GLY A 106 9.540 2.130 6.281 1.00 0.00 N ATOM 1562 CA GLY A 106 9.924 3.527 6.309 1.00 0.00 C ATOM 1563 C GLY A 106 9.303 4.258 5.129 1.00 0.00 C ATOM 1564 O GLY A 106 9.507 3.865 3.981 1.00 0.00 O ATOM 0 H GLY A 106 9.444 1.750 5.339 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.598 3.984 7.243 1.00 0.00 H new ATOM 0 HA3 GLY A 106 11.010 3.616 6.272 1.00 0.00 H new ATOM 1568 N ARG A 107 8.500 5.282 5.401 1.00 0.00 N ATOM 1569 CA ARG A 107 7.785 5.987 4.337 1.00 0.00 C ATOM 1570 C ARG A 107 8.494 7.266 3.917 1.00 0.00 C ATOM 1571 O ARG A 107 9.295 7.832 4.661 1.00 0.00 O ATOM 1572 CB ARG A 107 6.363 6.334 4.777 1.00 0.00 C ATOM 1573 CG ARG A 107 5.358 5.240 4.484 1.00 0.00 C ATOM 1574 CD ARG A 107 4.402 5.650 3.370 1.00 0.00 C ATOM 1575 NE ARG A 107 3.296 6.461 3.871 1.00 0.00 N ATOM 1576 CZ ARG A 107 2.106 6.543 3.279 1.00 0.00 C ATOM 1577 NH1 ARG A 107 1.864 5.869 2.161 1.00 0.00 N ATOM 1578 NH2 ARG A 107 1.156 7.304 3.806 1.00 0.00 N ATOM 0 H ARG A 107 8.327 5.641 6.340 1.00 0.00 H new ATOM 0 HA ARG A 107 7.757 5.310 3.483 1.00 0.00 H new ATOM 0 HB2 ARG A 107 6.362 6.540 5.847 1.00 0.00 H new ATOM 0 HB3 ARG A 107 6.049 7.249 4.276 1.00 0.00 H new ATOM 0 HG2 ARG A 107 5.883 4.328 4.199 1.00 0.00 H new ATOM 0 HG3 ARG A 107 4.791 5.012 5.387 1.00 0.00 H new ATOM 0 HD2 ARG A 107 4.948 6.210 2.611 1.00 0.00 H new ATOM 0 HD3 ARG A 107 4.007 4.758 2.884 1.00 0.00 H new ATOM 0 HE ARG A 107 3.444 6.997 4.726 1.00 0.00 H new ATOM 0 HH11 ARG A 107 2.592 5.284 1.751 1.00 0.00 H new ATOM 0 HH12 ARG A 107 0.950 5.936 1.713 1.00 0.00 H new ATOM 0 HH21 ARG A 107 1.337 7.825 4.664 1.00 0.00 H new ATOM 0 HH22 ARG A 107 0.244 7.368 3.354 1.00 0.00 H new ATOM 1592 N GLY A 108 8.192 7.696 2.701 1.00 0.00 N ATOM 1593 CA GLY A 108 8.742 8.923 2.164 1.00 0.00 C ATOM 1594 C GLY A 108 7.747 9.606 1.250 1.00 0.00 C ATOM 1595 O GLY A 108 8.113 10.125 0.194 1.00 0.00 O ATOM 0 H GLY A 108 7.563 7.205 2.066 1.00 0.00 H new ATOM 0 HA2 GLY A 108 9.012 9.593 2.980 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.658 8.706 1.614 1.00 0.00 H new