USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=11 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 120:sc= -5.38! 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= -0.0258 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.276 K(o=-0.28,f=-1.5!) USER MOD Single : A 35 SER OG : rot 36:sc= 0.107 USER MOD Single : A 64 SER OG : rot 5:sc= 0.827 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.334 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.67 USER MOD Single : A 87 ASN :FLIP amide:sc= 0.679 F(o=-1.5,f=0.68) USER MOD ----------------------------------------------------------------- ATOM 351 N GLY A 24 -7.732 -1.244 2.334 1.00 0.00 N ATOM 352 CA GLY A 24 -7.645 -1.203 0.886 1.00 0.00 C ATOM 353 C GLY A 24 -6.348 -0.590 0.402 1.00 0.00 C ATOM 354 O GLY A 24 -6.337 0.169 -0.567 1.00 0.00 O ATOM 0 HA2 GLY A 24 -7.735 -2.215 0.491 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.484 -0.630 0.491 1.00 0.00 H new ATOM 358 N THR A 25 -5.247 -0.950 1.050 1.00 0.00 N ATOM 359 CA THR A 25 -3.947 -0.405 0.702 1.00 0.00 C ATOM 360 C THR A 25 -3.217 -1.282 -0.306 1.00 0.00 C ATOM 361 O THR A 25 -3.201 -2.508 -0.191 1.00 0.00 O ATOM 362 CB THR A 25 -3.101 -0.288 1.955 1.00 0.00 C ATOM 363 OG1 THR A 25 -1.764 0.042 1.630 1.00 0.00 O ATOM 364 CG2 THR A 25 -3.082 -1.571 2.754 1.00 0.00 C ATOM 0 H THR A 25 -5.232 -1.618 1.820 1.00 0.00 H new ATOM 0 HA THR A 25 -4.106 0.574 0.250 1.00 0.00 H new ATOM 0 HB THR A 25 -3.556 0.500 2.555 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.526 0.894 2.051 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.463 -1.438 3.642 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.098 -1.827 3.055 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.671 -2.374 2.143 1.00 0.00 H new ATOM 372 N SER A 26 -2.578 -0.632 -1.269 1.00 0.00 N ATOM 373 CA SER A 26 -1.823 -1.330 -2.298 1.00 0.00 C ATOM 374 C SER A 26 -0.361 -0.914 -2.267 1.00 0.00 C ATOM 375 O SER A 26 -0.060 0.267 -2.369 1.00 0.00 O ATOM 376 CB SER A 26 -2.398 -1.003 -3.671 1.00 0.00 C ATOM 377 OG SER A 26 -3.717 -1.504 -3.810 1.00 0.00 O ATOM 0 H SER A 26 -2.568 0.384 -1.358 1.00 0.00 H new ATOM 0 HA SER A 26 -1.895 -2.401 -2.107 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.399 0.077 -3.819 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.761 -1.430 -4.445 1.00 0.00 H new ATOM 0 HG SER A 26 -4.061 -1.278 -4.699 1.00 0.00 H new ATOM 383 N ALA A 27 0.540 -1.892 -2.246 1.00 0.00 N ATOM 384 CA ALA A 27 1.971 -1.608 -2.242 1.00 0.00 C ATOM 385 C ALA A 27 2.653 -2.298 -3.404 1.00 0.00 C ATOM 386 O ALA A 27 2.262 -3.381 -3.820 1.00 0.00 O ATOM 387 CB ALA A 27 2.613 -2.032 -0.926 1.00 0.00 C ATOM 0 H ALA A 27 0.305 -2.885 -2.232 1.00 0.00 H new ATOM 0 HA ALA A 27 2.098 -0.531 -2.350 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.679 -1.808 -0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.149 -1.489 -0.103 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.471 -3.103 -0.780 1.00 0.00 H new ATOM 393 N THR A 28 3.638 -1.619 -3.960 1.00 0.00 N ATOM 394 CA THR A 28 4.371 -2.122 -5.104 1.00 0.00 C ATOM 395 C THR A 28 5.843 -2.269 -4.750 1.00 0.00 C ATOM 396 O THR A 28 6.433 -1.383 -4.133 1.00 0.00 O ATOM 397 CB THR A 28 4.176 -1.165 -6.285 1.00 0.00 C ATOM 398 OG1 THR A 28 2.887 -1.331 -6.848 1.00 0.00 O ATOM 399 CG2 THR A 28 5.185 -1.340 -7.401 1.00 0.00 C ATOM 0 H THR A 28 3.951 -0.706 -3.632 1.00 0.00 H new ATOM 0 HA THR A 28 3.995 -3.105 -5.387 1.00 0.00 H new ATOM 0 HB THR A 28 4.312 -0.169 -5.863 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.776 -0.712 -7.600 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.975 -0.625 -8.196 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.189 -1.168 -7.014 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.117 -2.353 -7.797 1.00 0.00 H new ATOM 407 N ILE A 29 6.422 -3.404 -5.109 1.00 0.00 N ATOM 408 CA ILE A 29 7.813 -3.670 -4.799 1.00 0.00 C ATOM 409 C ILE A 29 8.703 -3.429 -6.001 1.00 0.00 C ATOM 410 O ILE A 29 8.476 -3.973 -7.081 1.00 0.00 O ATOM 411 CB ILE A 29 8.039 -5.112 -4.314 1.00 0.00 C ATOM 412 CG1 ILE A 29 6.805 -5.670 -3.587 1.00 0.00 C ATOM 413 CG2 ILE A 29 9.264 -5.166 -3.418 1.00 0.00 C ATOM 414 CD1 ILE A 29 6.121 -4.686 -2.662 1.00 0.00 C ATOM 0 H ILE A 29 5.949 -4.153 -5.614 1.00 0.00 H new ATOM 0 HA ILE A 29 8.074 -2.980 -3.997 1.00 0.00 H new ATOM 0 HB ILE A 29 8.206 -5.742 -5.188 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.085 -6.011 -4.331 1.00 0.00 H new ATOM 0 HG13 ILE A 29 7.104 -6.544 -3.009 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.420 -6.189 -3.077 1.00 0.00 H new ATOM 0 HG22 ILE A 29 10.138 -4.832 -3.977 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.114 -4.515 -2.557 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.262 -5.165 -2.192 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.822 -4.363 -1.892 1.00 0.00 H new ATOM 0 HD13 ILE A 29 5.786 -3.821 -3.234 1.00 0.00 H new ATOM 426 N THR A 30 9.738 -2.640 -5.789 1.00 0.00 N ATOM 427 CA THR A 30 10.703 -2.353 -6.834 1.00 0.00 C ATOM 428 C THR A 30 12.123 -2.497 -6.301 1.00 0.00 C ATOM 429 O THR A 30 12.658 -1.587 -5.668 1.00 0.00 O ATOM 430 CB THR A 30 10.484 -0.945 -7.384 1.00 0.00 C ATOM 431 OG1 THR A 30 11.649 -0.476 -8.041 1.00 0.00 O ATOM 432 CG2 THR A 30 10.114 0.064 -6.321 1.00 0.00 C ATOM 0 H THR A 30 9.933 -2.184 -4.898 1.00 0.00 H new ATOM 0 HA THR A 30 10.562 -3.070 -7.643 1.00 0.00 H new ATOM 0 HB THR A 30 9.649 -1.034 -8.079 1.00 0.00 H new ATOM 0 HG1 THR A 30 11.488 0.426 -8.388 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.973 1.042 -6.781 1.00 0.00 H new ATOM 0 HG22 THR A 30 9.189 -0.244 -5.833 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.912 0.122 -5.581 1.00 0.00 H new ATOM 440 N SER A 31 12.728 -3.646 -6.574 1.00 0.00 N ATOM 441 CA SER A 31 14.080 -3.923 -6.128 1.00 0.00 C ATOM 442 C SER A 31 15.042 -3.938 -7.310 1.00 0.00 C ATOM 443 O SER A 31 14.650 -4.246 -8.435 1.00 0.00 O ATOM 444 CB SER A 31 14.130 -5.264 -5.389 1.00 0.00 C ATOM 445 OG SER A 31 14.489 -6.322 -6.263 1.00 0.00 O ATOM 0 H SER A 31 12.298 -4.403 -7.106 1.00 0.00 H new ATOM 0 HA SER A 31 14.386 -3.132 -5.443 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.849 -5.205 -4.572 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.157 -5.472 -4.943 1.00 0.00 H new ATOM 0 HG SER A 31 14.514 -7.165 -5.763 1.00 0.00 H new ATOM 451 N GLY A 32 16.302 -3.607 -7.053 1.00 0.00 N ATOM 452 CA GLY A 32 17.293 -3.603 -8.113 1.00 0.00 C ATOM 453 C GLY A 32 17.290 -4.897 -8.904 1.00 0.00 C ATOM 454 O GLY A 32 17.409 -4.886 -10.129 1.00 0.00 O ATOM 0 H GLY A 32 16.654 -3.342 -6.133 1.00 0.00 H new ATOM 0 HA2 GLY A 32 17.100 -2.767 -8.786 1.00 0.00 H new ATOM 0 HA3 GLY A 32 18.282 -3.444 -7.683 1.00 0.00 H new ATOM 458 N GLU A 33 17.127 -6.012 -8.200 1.00 0.00 N ATOM 459 CA GLU A 33 17.114 -7.318 -8.819 1.00 0.00 C ATOM 460 C GLU A 33 16.037 -7.429 -9.893 1.00 0.00 C ATOM 461 O GLU A 33 16.334 -7.418 -11.088 1.00 0.00 O ATOM 462 CB GLU A 33 16.904 -8.367 -7.755 1.00 0.00 C ATOM 463 CG GLU A 33 18.051 -9.346 -7.673 1.00 0.00 C ATOM 464 CD GLU A 33 17.619 -10.783 -7.885 1.00 0.00 C ATOM 465 OE1 GLU A 33 16.641 -11.211 -7.237 1.00 0.00 O ATOM 466 OE2 GLU A 33 18.257 -11.481 -8.701 1.00 0.00 O ATOM 0 H GLU A 33 17.001 -6.029 -7.188 1.00 0.00 H new ATOM 0 HA GLU A 33 18.074 -7.474 -9.312 1.00 0.00 H new ATOM 0 HB2 GLU A 33 16.777 -7.879 -6.789 1.00 0.00 H new ATOM 0 HB3 GLU A 33 15.982 -8.910 -7.962 1.00 0.00 H new ATOM 0 HG2 GLU A 33 18.800 -9.083 -8.420 1.00 0.00 H new ATOM 0 HG3 GLU A 33 18.529 -9.256 -6.698 1.00 0.00 H new ATOM 473 N GLN A 34 14.785 -7.553 -9.459 1.00 0.00 N ATOM 474 CA GLN A 34 13.667 -7.692 -10.385 1.00 0.00 C ATOM 475 C GLN A 34 12.462 -6.877 -9.924 1.00 0.00 C ATOM 476 O GLN A 34 11.432 -7.435 -9.546 1.00 0.00 O ATOM 477 CB GLN A 34 13.277 -9.164 -10.521 1.00 0.00 C ATOM 478 CG GLN A 34 12.038 -9.388 -11.374 1.00 0.00 C ATOM 479 CD GLN A 34 12.194 -10.552 -12.333 1.00 0.00 C ATOM 480 OE1 GLN A 34 13.295 -10.849 -12.795 1.00 0.00 O ATOM 481 NE2 GLN A 34 11.086 -11.217 -12.638 1.00 0.00 N ATOM 0 H GLN A 34 14.521 -7.560 -8.474 1.00 0.00 H new ATOM 0 HA GLN A 34 13.985 -7.311 -11.355 1.00 0.00 H new ATOM 0 HB2 GLN A 34 14.112 -9.714 -10.956 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.104 -9.579 -9.528 1.00 0.00 H new ATOM 0 HG2 GLN A 34 11.182 -9.569 -10.724 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.822 -8.482 -11.940 1.00 0.00 H new ATOM 0 HE21 GLN A 34 10.194 -10.936 -12.231 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.127 -12.009 -13.279 1.00 0.00 H new ATOM 490 N SER A 35 12.592 -5.556 -9.973 1.00 0.00 N ATOM 491 CA SER A 35 11.509 -4.664 -9.574 1.00 0.00 C ATOM 492 C SER A 35 10.314 -4.809 -10.509 1.00 0.00 C ATOM 493 O SER A 35 10.454 -4.730 -11.729 1.00 0.00 O ATOM 494 CB SER A 35 11.995 -3.213 -9.576 1.00 0.00 C ATOM 495 OG SER A 35 12.600 -2.879 -10.813 1.00 0.00 O ATOM 0 H SER A 35 13.437 -5.078 -10.285 1.00 0.00 H new ATOM 0 HA SER A 35 11.196 -4.938 -8.567 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.155 -2.545 -9.386 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.710 -3.065 -8.766 1.00 0.00 H new ATOM 0 HG SER A 35 12.128 -3.334 -11.541 1.00 0.00 H new ATOM 501 N GLY A 36 9.137 -5.017 -9.928 1.00 0.00 N ATOM 502 CA GLY A 36 7.934 -5.166 -10.725 1.00 0.00 C ATOM 503 C GLY A 36 6.945 -6.133 -10.108 1.00 0.00 C ATOM 504 O GLY A 36 6.527 -7.097 -10.749 1.00 0.00 O ATOM 0 H GLY A 36 8.995 -5.085 -8.920 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.459 -4.192 -10.845 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.204 -5.514 -11.722 1.00 0.00 H new ATOM 508 N ALA A 37 6.567 -5.875 -8.860 1.00 0.00 N ATOM 509 CA ALA A 37 5.621 -6.731 -8.158 1.00 0.00 C ATOM 510 C ALA A 37 4.686 -5.908 -7.278 1.00 0.00 C ATOM 511 O ALA A 37 5.132 -5.166 -6.403 1.00 0.00 O ATOM 512 CB ALA A 37 6.360 -7.765 -7.324 1.00 0.00 C ATOM 0 H ALA A 37 6.902 -5.080 -8.315 1.00 0.00 H new ATOM 0 HA ALA A 37 5.016 -7.249 -8.903 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.639 -8.397 -6.806 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.981 -8.381 -7.975 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.991 -7.259 -6.593 1.00 0.00 H new ATOM 518 N VAL A 38 3.386 -6.055 -7.507 1.00 0.00 N ATOM 519 CA VAL A 38 2.386 -5.323 -6.739 1.00 0.00 C ATOM 520 C VAL A 38 1.787 -6.196 -5.639 1.00 0.00 C ATOM 521 O VAL A 38 1.153 -7.215 -5.915 1.00 0.00 O ATOM 522 CB VAL A 38 1.252 -4.803 -7.642 1.00 0.00 C ATOM 523 CG1 VAL A 38 0.460 -5.962 -8.228 1.00 0.00 C ATOM 524 CG2 VAL A 38 0.344 -3.860 -6.869 1.00 0.00 C ATOM 0 H VAL A 38 3.000 -6.675 -8.219 1.00 0.00 H new ATOM 0 HA VAL A 38 2.897 -4.473 -6.286 1.00 0.00 H new ATOM 0 HB VAL A 38 1.696 -4.246 -8.467 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.337 -5.574 -8.863 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.122 -6.592 -8.821 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.026 -6.551 -7.420 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.451 -3.503 -7.523 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.093 -4.389 -6.022 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.924 -3.011 -6.507 1.00 0.00 H new ATOM 534 N ILE A 39 1.991 -5.781 -4.394 1.00 0.00 N ATOM 535 CA ILE A 39 1.484 -6.513 -3.242 1.00 0.00 C ATOM 536 C ILE A 39 0.518 -5.669 -2.419 1.00 0.00 C ATOM 537 O ILE A 39 0.544 -4.440 -2.479 1.00 0.00 O ATOM 538 CB ILE A 39 2.636 -6.966 -2.323 1.00 0.00 C ATOM 539 CG1 ILE A 39 3.326 -5.761 -1.683 1.00 0.00 C ATOM 540 CG2 ILE A 39 3.635 -7.807 -3.099 1.00 0.00 C ATOM 541 CD1 ILE A 39 2.772 -5.414 -0.319 1.00 0.00 C ATOM 0 H ILE A 39 2.508 -4.935 -4.157 1.00 0.00 H new ATOM 0 HA ILE A 39 0.958 -7.383 -3.635 1.00 0.00 H new ATOM 0 HB ILE A 39 2.217 -7.579 -1.525 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.393 -5.966 -1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.221 -4.898 -2.341 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.442 -8.118 -2.435 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.135 -8.688 -3.500 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.047 -7.219 -3.919 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.304 -4.551 0.081 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.711 -5.178 -0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.901 -6.263 0.353 1.00 0.00 H new ATOM 553 N ARG A 40 -0.305 -6.336 -1.618 1.00 0.00 N ATOM 554 CA ARG A 40 -1.221 -5.643 -0.724 1.00 0.00 C ATOM 555 C ARG A 40 -0.696 -5.704 0.701 1.00 0.00 C ATOM 556 O ARG A 40 -0.008 -6.650 1.085 1.00 0.00 O ATOM 557 CB ARG A 40 -2.629 -6.241 -0.788 1.00 0.00 C ATOM 558 CG ARG A 40 -3.566 -5.702 0.288 1.00 0.00 C ATOM 559 CD ARG A 40 -5.012 -5.701 -0.180 1.00 0.00 C ATOM 560 NE ARG A 40 -5.938 -6.023 0.902 1.00 0.00 N ATOM 561 CZ ARG A 40 -7.249 -6.164 0.733 1.00 0.00 C ATOM 562 NH1 ARG A 40 -7.783 -6.014 -0.472 1.00 0.00 N ATOM 563 NH2 ARG A 40 -8.026 -6.456 1.767 1.00 0.00 N ATOM 0 H ARG A 40 -0.356 -7.354 -1.570 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.284 -4.604 -1.047 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.058 -6.036 -1.769 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.560 -7.324 -0.690 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.475 -6.309 1.189 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.269 -4.688 0.556 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.260 -4.722 -0.590 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.132 -6.424 -0.987 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.558 -6.147 1.840 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.188 -5.790 -1.269 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.789 -6.122 -0.601 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.618 -6.573 2.695 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.032 -6.564 1.635 1.00 0.00 H new ATOM 577 N GLY A 41 -1.012 -4.682 1.476 1.00 0.00 N ATOM 578 CA GLY A 41 -0.558 -4.624 2.849 1.00 0.00 C ATOM 579 C GLY A 41 -0.333 -3.199 3.283 1.00 0.00 C ATOM 580 O GLY A 41 0.017 -2.351 2.465 1.00 0.00 O ATOM 0 H GLY A 41 -1.578 -3.887 1.178 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.295 -5.094 3.500 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.367 -5.190 2.954 1.00 0.00 H new ATOM 584 N VAL A 42 -0.586 -2.908 4.551 1.00 0.00 N ATOM 585 CA VAL A 42 -0.497 -1.536 5.019 1.00 0.00 C ATOM 586 C VAL A 42 0.655 -1.310 5.996 1.00 0.00 C ATOM 587 O VAL A 42 1.545 -2.145 6.141 1.00 0.00 O ATOM 588 CB VAL A 42 -1.859 -1.072 5.611 1.00 0.00 C ATOM 589 CG1 VAL A 42 -1.898 -1.084 7.141 1.00 0.00 C ATOM 590 CG2 VAL A 42 -2.205 0.303 5.062 1.00 0.00 C ATOM 0 H VAL A 42 -0.850 -3.591 5.261 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.270 -0.916 4.151 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.612 -1.796 5.299 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.877 -0.749 7.483 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.715 -2.096 7.502 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.130 -0.415 7.530 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.159 0.630 5.475 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.426 1.013 5.341 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.278 0.253 3.976 1.00 0.00 H new ATOM 600 N PHE A 43 0.628 -0.145 6.626 1.00 0.00 N ATOM 601 CA PHE A 43 1.662 0.273 7.555 1.00 0.00 C ATOM 602 C PHE A 43 1.096 0.419 8.965 1.00 0.00 C ATOM 603 O PHE A 43 0.120 1.139 9.180 1.00 0.00 O ATOM 604 CB PHE A 43 2.225 1.602 7.057 1.00 0.00 C ATOM 605 CG PHE A 43 3.060 2.359 8.051 1.00 0.00 C ATOM 606 CD1 PHE A 43 2.469 2.989 9.135 1.00 0.00 C ATOM 607 CD2 PHE A 43 4.426 2.488 7.868 1.00 0.00 C ATOM 608 CE1 PHE A 43 3.233 3.703 10.039 1.00 0.00 C ATOM 609 CE2 PHE A 43 5.194 3.204 8.767 1.00 0.00 C ATOM 610 CZ PHE A 43 4.596 3.813 9.854 1.00 0.00 C ATOM 0 H PHE A 43 -0.118 0.540 6.505 1.00 0.00 H new ATOM 0 HA PHE A 43 2.452 -0.477 7.602 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.829 1.412 6.170 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.394 2.236 6.747 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.400 2.921 9.275 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.897 2.024 7.014 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.763 4.175 10.890 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.261 3.287 8.620 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.194 4.374 10.557 1.00 0.00 H new ATOM 893 N SER A 64 5.393 -1.790 11.424 1.00 0.00 N ATOM 894 CA SER A 64 5.372 -3.028 10.651 1.00 0.00 C ATOM 895 C SER A 64 4.268 -3.005 9.606 1.00 0.00 C ATOM 896 O SER A 64 3.368 -2.167 9.650 1.00 0.00 O ATOM 897 CB SER A 64 5.203 -4.236 11.571 1.00 0.00 C ATOM 898 OG SER A 64 5.094 -3.836 12.927 1.00 0.00 O ATOM 0 HA SER A 64 6.328 -3.112 10.134 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.313 -4.795 11.281 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.054 -4.907 11.454 1.00 0.00 H new ATOM 0 HG SER A 64 5.079 -2.858 12.979 1.00 0.00 H new ATOM 904 N LEU A 65 4.365 -3.921 8.648 1.00 0.00 N ATOM 905 CA LEU A 65 3.413 -3.988 7.549 1.00 0.00 C ATOM 906 C LEU A 65 2.618 -5.291 7.617 1.00 0.00 C ATOM 907 O LEU A 65 3.165 -6.349 7.928 1.00 0.00 O ATOM 908 CB LEU A 65 4.153 -3.889 6.199 1.00 0.00 C ATOM 909 CG LEU A 65 3.425 -4.497 4.988 1.00 0.00 C ATOM 910 CD1 LEU A 65 3.934 -3.885 3.692 1.00 0.00 C ATOM 911 CD2 LEU A 65 3.588 -6.010 4.966 1.00 0.00 C ATOM 0 H LEU A 65 5.098 -4.630 8.612 1.00 0.00 H new ATOM 0 HA LEU A 65 2.721 -3.150 7.634 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.349 -2.837 5.990 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.121 -4.380 6.300 1.00 0.00 H new ATOM 0 HG LEU A 65 2.363 -4.269 5.080 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.406 -4.329 2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.759 -2.809 3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.002 -4.078 3.594 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.065 -6.420 4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.647 -6.261 4.903 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.169 -6.434 5.878 1.00 0.00 H new ATOM 923 N PHE A 66 1.325 -5.199 7.338 1.00 0.00 N ATOM 924 CA PHE A 66 0.465 -6.371 7.311 1.00 0.00 C ATOM 925 C PHE A 66 0.284 -6.826 5.873 1.00 0.00 C ATOM 926 O PHE A 66 -0.312 -6.118 5.066 1.00 0.00 O ATOM 927 CB PHE A 66 -0.893 -6.056 7.937 1.00 0.00 C ATOM 928 CG PHE A 66 -0.888 -6.097 9.438 1.00 0.00 C ATOM 929 CD1 PHE A 66 0.062 -5.392 10.159 1.00 0.00 C ATOM 930 CD2 PHE A 66 -1.834 -6.839 10.126 1.00 0.00 C ATOM 931 CE1 PHE A 66 0.068 -5.427 11.541 1.00 0.00 C ATOM 932 CE2 PHE A 66 -1.832 -6.878 11.508 1.00 0.00 C ATOM 933 CZ PHE A 66 -0.880 -6.171 12.216 1.00 0.00 C ATOM 0 H PHE A 66 0.849 -4.322 7.127 1.00 0.00 H new ATOM 0 HA PHE A 66 0.931 -7.168 7.891 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.214 -5.067 7.610 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.629 -6.769 7.565 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.806 -4.809 9.636 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.581 -7.393 9.577 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.813 -4.873 12.092 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.574 -7.461 12.033 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.877 -6.200 13.296 1.00 0.00 H new ATOM 943 N VAL A 67 0.821 -7.989 5.546 1.00 0.00 N ATOM 944 CA VAL A 67 0.761 -8.488 4.182 1.00 0.00 C ATOM 945 C VAL A 67 -0.234 -9.633 4.042 1.00 0.00 C ATOM 946 O VAL A 67 -0.645 -10.239 5.032 1.00 0.00 O ATOM 947 CB VAL A 67 2.150 -8.945 3.709 1.00 0.00 C ATOM 948 CG1 VAL A 67 2.616 -10.154 4.507 1.00 0.00 C ATOM 949 CG2 VAL A 67 2.137 -9.248 2.219 1.00 0.00 C ATOM 0 H VAL A 67 1.302 -8.604 6.203 1.00 0.00 H new ATOM 0 HA VAL A 67 0.421 -7.665 3.554 1.00 0.00 H new ATOM 0 HB VAL A 67 2.857 -8.133 3.881 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.601 -10.463 4.158 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.671 -9.893 5.564 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.910 -10.973 4.372 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.130 -9.570 1.904 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.417 -10.041 2.015 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.855 -8.351 1.668 1.00 0.00 H new ATOM 959 N ARG A 68 -0.632 -9.909 2.804 1.00 0.00 N ATOM 960 CA ARG A 68 -1.611 -10.954 2.530 1.00 0.00 C ATOM 961 C ARG A 68 -0.953 -12.319 2.365 1.00 0.00 C ATOM 962 O ARG A 68 -1.136 -13.208 3.198 1.00 0.00 O ATOM 963 CB ARG A 68 -2.414 -10.608 1.275 1.00 0.00 C ATOM 964 CG ARG A 68 -3.917 -10.761 1.454 1.00 0.00 C ATOM 965 CD ARG A 68 -4.505 -9.603 2.244 1.00 0.00 C ATOM 966 NE ARG A 68 -5.099 -10.043 3.502 1.00 0.00 N ATOM 967 CZ ARG A 68 -5.563 -9.211 4.430 1.00 0.00 C ATOM 968 NH1 ARG A 68 -5.499 -7.900 4.239 1.00 0.00 N ATOM 969 NH2 ARG A 68 -6.090 -9.688 5.549 1.00 0.00 N ATOM 0 H ARG A 68 -0.291 -9.423 1.975 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.281 -11.009 3.388 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.194 -9.581 0.984 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.087 -11.248 0.456 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.397 -10.817 0.477 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.130 -11.698 1.968 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.724 -8.871 2.449 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.262 -9.101 1.642 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.162 -11.045 3.680 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.094 -7.529 3.380 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.855 -7.263 4.951 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.140 -10.696 5.700 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.445 -9.048 6.259 1.00 0.00 H new ATOM 983 N THR A 69 -0.208 -12.496 1.279 1.00 0.00 N ATOM 984 CA THR A 69 0.426 -13.778 1.001 1.00 0.00 C ATOM 985 C THR A 69 1.763 -13.919 1.737 1.00 0.00 C ATOM 986 O THR A 69 1.791 -14.319 2.902 1.00 0.00 O ATOM 987 CB THR A 69 0.610 -13.966 -0.507 1.00 0.00 C ATOM 988 OG1 THR A 69 1.336 -12.883 -1.062 1.00 0.00 O ATOM 989 CG2 THR A 69 -0.696 -14.079 -1.262 1.00 0.00 C ATOM 0 H THR A 69 -0.030 -11.773 0.582 1.00 0.00 H new ATOM 0 HA THR A 69 -0.232 -14.564 1.372 1.00 0.00 H new ATOM 0 HB THR A 69 1.154 -14.904 -0.616 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.445 -13.022 -2.026 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.492 -14.210 -2.325 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.257 -14.937 -0.892 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.281 -13.171 -1.115 1.00 0.00 H new ATOM 997 N ASP A 70 2.872 -13.613 1.059 1.00 0.00 N ATOM 998 CA ASP A 70 4.192 -13.737 1.670 1.00 0.00 C ATOM 999 C ASP A 70 5.284 -13.214 0.741 1.00 0.00 C ATOM 1000 O ASP A 70 6.411 -13.710 0.754 1.00 0.00 O ATOM 1001 CB ASP A 70 4.470 -15.199 2.026 1.00 0.00 C ATOM 1002 CG ASP A 70 5.717 -15.362 2.872 1.00 0.00 C ATOM 1003 OD1 ASP A 70 5.631 -15.162 4.101 1.00 0.00 O ATOM 1004 OD2 ASP A 70 6.780 -15.692 2.305 1.00 0.00 O ATOM 0 H ASP A 70 2.880 -13.280 0.095 1.00 0.00 H new ATOM 0 HA ASP A 70 4.200 -13.134 2.578 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.614 -15.608 2.563 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.578 -15.779 1.109 1.00 0.00 H new ATOM 1009 N GLU A 71 4.948 -12.209 -0.062 1.00 0.00 N ATOM 1010 CA GLU A 71 5.911 -11.606 -0.973 1.00 0.00 C ATOM 1011 C GLU A 71 6.854 -10.692 -0.206 1.00 0.00 C ATOM 1012 O GLU A 71 8.070 -10.742 -0.386 1.00 0.00 O ATOM 1013 CB GLU A 71 5.189 -10.813 -2.064 1.00 0.00 C ATOM 1014 CG GLU A 71 5.558 -11.243 -3.475 1.00 0.00 C ATOM 1015 CD GLU A 71 4.640 -10.645 -4.524 1.00 0.00 C ATOM 1016 OE1 GLU A 71 3.455 -10.409 -4.211 1.00 0.00 O ATOM 1017 OE2 GLU A 71 5.109 -10.411 -5.657 1.00 0.00 O ATOM 0 H GLU A 71 4.016 -11.796 -0.099 1.00 0.00 H new ATOM 0 HA GLU A 71 6.490 -12.401 -1.443 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.113 -10.923 -1.929 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.419 -9.754 -1.944 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.586 -10.946 -3.685 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.520 -12.330 -3.541 1.00 0.00 H new ATOM 1024 N VAL A 72 6.281 -9.866 0.660 1.00 0.00 N ATOM 1025 CA VAL A 72 7.067 -8.961 1.481 1.00 0.00 C ATOM 1026 C VAL A 72 8.136 -9.730 2.239 1.00 0.00 C ATOM 1027 O VAL A 72 9.246 -9.237 2.443 1.00 0.00 O ATOM 1028 CB VAL A 72 6.184 -8.209 2.483 1.00 0.00 C ATOM 1029 CG1 VAL A 72 5.278 -7.226 1.757 1.00 0.00 C ATOM 1030 CG2 VAL A 72 5.374 -9.192 3.310 1.00 0.00 C ATOM 0 H VAL A 72 5.274 -9.806 0.810 1.00 0.00 H new ATOM 0 HA VAL A 72 7.536 -8.237 0.815 1.00 0.00 H new ATOM 0 HB VAL A 72 6.822 -7.641 3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.657 -6.700 2.482 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.887 -6.506 1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.640 -7.767 1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.751 -8.645 4.018 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.740 -9.786 2.652 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.049 -9.852 3.855 1.00 0.00 H new ATOM 1040 N ARG A 73 7.803 -10.954 2.629 1.00 0.00 N ATOM 1041 CA ARG A 73 8.755 -11.819 3.310 1.00 0.00 C ATOM 1042 C ARG A 73 10.020 -11.947 2.473 1.00 0.00 C ATOM 1043 O ARG A 73 11.124 -12.087 3.000 1.00 0.00 O ATOM 1044 CB ARG A 73 8.139 -13.200 3.539 1.00 0.00 C ATOM 1045 CG ARG A 73 8.738 -13.950 4.715 1.00 0.00 C ATOM 1046 CD ARG A 73 10.004 -14.692 4.317 1.00 0.00 C ATOM 1047 NE ARG A 73 9.739 -16.092 3.995 1.00 0.00 N ATOM 1048 CZ ARG A 73 10.631 -16.898 3.426 1.00 0.00 C ATOM 1049 NH1 ARG A 73 11.837 -16.443 3.120 1.00 0.00 N ATOM 1050 NH2 ARG A 73 10.315 -18.159 3.165 1.00 0.00 N ATOM 0 H ARG A 73 6.882 -11.369 2.485 1.00 0.00 H new ATOM 0 HA ARG A 73 9.006 -11.382 4.276 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.067 -13.087 3.700 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.265 -13.798 2.636 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.964 -13.249 5.518 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.008 -14.658 5.106 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.456 -14.201 3.455 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.727 -14.638 5.131 1.00 0.00 H new ATOM 0 HE ARG A 73 8.819 -16.472 4.219 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.082 -15.474 3.321 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.520 -17.062 2.684 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.387 -18.512 3.401 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.000 -18.776 2.729 1.00 0.00 H new ATOM 1064 N GLN A 74 9.840 -11.872 1.159 1.00 0.00 N ATOM 1065 CA GLN A 74 10.947 -11.956 0.215 1.00 0.00 C ATOM 1066 C GLN A 74 11.593 -10.587 0.017 1.00 0.00 C ATOM 1067 O GLN A 74 12.748 -10.493 -0.397 1.00 0.00 O ATOM 1068 CB GLN A 74 10.454 -12.500 -1.128 1.00 0.00 C ATOM 1069 CG GLN A 74 9.314 -13.498 -1.000 1.00 0.00 C ATOM 1070 CD GLN A 74 9.236 -14.454 -2.174 1.00 0.00 C ATOM 1071 OE1 GLN A 74 9.385 -14.051 -3.329 1.00 0.00 O ATOM 1072 NE2 GLN A 74 9.001 -15.728 -1.885 1.00 0.00 N ATOM 0 H GLN A 74 8.927 -11.752 0.720 1.00 0.00 H new ATOM 0 HA GLN A 74 11.695 -12.636 0.623 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.128 -11.667 -1.750 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.287 -12.977 -1.645 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.439 -14.069 -0.080 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.372 -12.957 -0.914 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.884 -16.017 -0.914 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.937 -16.418 -2.634 1.00 0.00 H new ATOM 1081 N LEU A 75 10.838 -9.531 0.318 1.00 0.00 N ATOM 1082 CA LEU A 75 11.336 -8.168 0.191 1.00 0.00 C ATOM 1083 C LEU A 75 12.446 -7.902 1.200 1.00 0.00 C ATOM 1084 O LEU A 75 12.286 -7.094 2.114 1.00 0.00 O ATOM 1085 CB LEU A 75 10.201 -7.165 0.389 1.00 0.00 C ATOM 1086 CG LEU A 75 9.515 -6.705 -0.867 1.00 0.00 C ATOM 1087 CD1 LEU A 75 9.290 -7.883 -1.813 1.00 0.00 C ATOM 1088 CD2 LEU A 75 8.192 -6.058 -0.490 1.00 0.00 C ATOM 0 H LEU A 75 9.877 -9.597 0.652 1.00 0.00 H new ATOM 0 HA LEU A 75 11.743 -8.049 -0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.455 -7.612 1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.598 -6.291 0.906 1.00 0.00 H new ATOM 0 HG LEU A 75 10.141 -5.978 -1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.792 -7.533 -2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.250 -8.327 -2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.667 -8.630 -1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.683 -5.719 -1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.566 -6.784 0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.377 -5.206 0.164 1.00 0.00 H new ATOM 1100 N ARG A 76 13.560 -8.602 1.038 1.00 0.00 N ATOM 1101 CA ARG A 76 14.693 -8.459 1.940 1.00 0.00 C ATOM 1102 C ARG A 76 15.202 -7.022 1.954 1.00 0.00 C ATOM 1103 O ARG A 76 14.997 -6.271 1.000 1.00 0.00 O ATOM 1104 CB ARG A 76 15.809 -9.419 1.526 1.00 0.00 C ATOM 1105 CG ARG A 76 15.352 -10.869 1.420 1.00 0.00 C ATOM 1106 CD ARG A 76 15.583 -11.618 2.722 1.00 0.00 C ATOM 1107 NE ARG A 76 16.959 -12.091 2.845 1.00 0.00 N ATOM 1108 CZ ARG A 76 17.460 -13.091 2.127 1.00 0.00 C ATOM 1109 NH1 ARG A 76 16.700 -13.722 1.243 1.00 0.00 N ATOM 1110 NH2 ARG A 76 18.723 -13.462 2.295 1.00 0.00 N ATOM 0 H ARG A 76 13.703 -9.277 0.287 1.00 0.00 H new ATOM 0 HA ARG A 76 14.366 -8.707 2.950 1.00 0.00 H new ATOM 0 HB2 ARG A 76 16.213 -9.102 0.564 1.00 0.00 H new ATOM 0 HB3 ARG A 76 16.621 -9.354 2.250 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.293 -10.901 1.163 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.891 -11.364 0.613 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.348 -10.965 3.562 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.902 -12.467 2.778 1.00 0.00 H new ATOM 0 HE ARG A 76 17.569 -11.629 3.519 1.00 0.00 H new ATOM 0 HH11 ARG A 76 15.728 -13.440 1.113 1.00 0.00 H new ATOM 0 HH12 ARG A 76 17.087 -14.489 0.693 1.00 0.00 H new ATOM 0 HH21 ARG A 76 19.310 -12.980 2.976 1.00 0.00 H new ATOM 0 HH22 ARG A 76 19.107 -14.230 1.744 1.00 0.00 H new ATOM 1124 N ARG A 77 15.851 -6.638 3.049 1.00 0.00 N ATOM 1125 CA ARG A 77 16.368 -5.282 3.197 1.00 0.00 C ATOM 1126 C ARG A 77 17.162 -4.854 1.967 1.00 0.00 C ATOM 1127 O ARG A 77 17.970 -5.619 1.439 1.00 0.00 O ATOM 1128 CB ARG A 77 17.246 -5.182 4.446 1.00 0.00 C ATOM 1129 CG ARG A 77 17.961 -3.847 4.581 1.00 0.00 C ATOM 1130 CD ARG A 77 19.292 -3.853 3.848 1.00 0.00 C ATOM 1131 NE ARG A 77 20.367 -3.290 4.660 1.00 0.00 N ATOM 1132 CZ ARG A 77 20.449 -2.001 4.979 1.00 0.00 C ATOM 1133 NH1 ARG A 77 19.524 -1.151 4.556 1.00 0.00 N ATOM 1134 NH2 ARG A 77 21.456 -1.563 5.722 1.00 0.00 N ATOM 0 H ARG A 77 16.031 -7.247 3.847 1.00 0.00 H new ATOM 0 HA ARG A 77 15.516 -4.610 3.302 1.00 0.00 H new ATOM 0 HB2 ARG A 77 16.628 -5.345 5.329 1.00 0.00 H new ATOM 0 HB3 ARG A 77 17.987 -5.981 4.424 1.00 0.00 H new ATOM 0 HG2 ARG A 77 17.329 -3.053 4.184 1.00 0.00 H new ATOM 0 HG3 ARG A 77 18.126 -3.626 5.636 1.00 0.00 H new ATOM 0 HD2 ARG A 77 19.547 -4.875 3.568 1.00 0.00 H new ATOM 0 HD3 ARG A 77 19.199 -3.283 2.924 1.00 0.00 H new ATOM 0 HE ARG A 77 21.094 -3.919 5.001 1.00 0.00 H new ATOM 0 HH11 ARG A 77 18.748 -1.485 3.985 1.00 0.00 H new ATOM 0 HH12 ARG A 77 19.589 -0.163 4.802 1.00 0.00 H new ATOM 0 HH21 ARG A 77 22.169 -2.215 6.050 1.00 0.00 H new ATOM 0 HH22 ARG A 77 21.518 -0.574 5.966 1.00 0.00 H new ATOM 1148 N GLY A 78 16.939 -3.619 1.530 1.00 0.00 N ATOM 1149 CA GLY A 78 17.628 -3.107 0.359 1.00 0.00 C ATOM 1150 C GLY A 78 16.704 -2.996 -0.834 1.00 0.00 C ATOM 1151 O GLY A 78 17.126 -3.150 -1.979 1.00 0.00 O ATOM 0 H GLY A 78 16.292 -2.962 1.967 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.049 -2.127 0.585 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.462 -3.764 0.112 1.00 0.00 H new ATOM 1155 N ASP A 79 15.431 -2.755 -0.552 1.00 0.00 N ATOM 1156 CA ASP A 79 14.418 -2.652 -1.591 1.00 0.00 C ATOM 1157 C ASP A 79 13.426 -1.535 -1.274 1.00 0.00 C ATOM 1158 O ASP A 79 13.077 -1.311 -0.115 1.00 0.00 O ATOM 1159 CB ASP A 79 13.687 -3.994 -1.727 1.00 0.00 C ATOM 1160 CG ASP A 79 12.460 -3.915 -2.616 1.00 0.00 C ATOM 1161 OD1 ASP A 79 12.622 -3.685 -3.833 1.00 0.00 O ATOM 1162 OD2 ASP A 79 11.337 -4.081 -2.094 1.00 0.00 O ATOM 0 H ASP A 79 15.074 -2.627 0.395 1.00 0.00 H new ATOM 0 HA ASP A 79 14.905 -2.409 -2.535 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.375 -4.736 -2.132 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.390 -4.341 -0.737 1.00 0.00 H new ATOM 1167 N THR A 80 12.968 -0.846 -2.313 1.00 0.00 N ATOM 1168 CA THR A 80 12.000 0.234 -2.149 1.00 0.00 C ATOM 1169 C THR A 80 10.658 -0.151 -2.765 1.00 0.00 C ATOM 1170 O THR A 80 10.608 -0.765 -3.830 1.00 0.00 O ATOM 1171 CB THR A 80 12.520 1.520 -2.794 1.00 0.00 C ATOM 1172 OG1 THR A 80 13.917 1.647 -2.602 1.00 0.00 O ATOM 1173 CG2 THR A 80 11.863 2.772 -2.253 1.00 0.00 C ATOM 0 H THR A 80 13.251 -1.015 -3.278 1.00 0.00 H new ATOM 0 HA THR A 80 11.859 0.407 -1.082 1.00 0.00 H new ATOM 0 HB THR A 80 12.274 1.432 -3.852 1.00 0.00 H new ATOM 0 HG1 THR A 80 14.231 2.474 -3.023 1.00 0.00 H new ATOM 0 HG21 THR A 80 12.279 3.646 -2.754 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.789 2.726 -2.434 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.048 2.846 -1.181 1.00 0.00 H new ATOM 1181 N LEU A 81 9.574 0.210 -2.088 1.00 0.00 N ATOM 1182 CA LEU A 81 8.235 -0.111 -2.560 1.00 0.00 C ATOM 1183 C LEU A 81 7.340 1.127 -2.500 1.00 0.00 C ATOM 1184 O LEU A 81 7.645 2.085 -1.798 1.00 0.00 O ATOM 1185 CB LEU A 81 7.632 -1.257 -1.729 1.00 0.00 C ATOM 1186 CG LEU A 81 8.407 -1.631 -0.457 1.00 0.00 C ATOM 1187 CD1 LEU A 81 7.462 -2.104 0.637 1.00 0.00 C ATOM 1188 CD2 LEU A 81 9.446 -2.699 -0.763 1.00 0.00 C ATOM 0 H LEU A 81 9.598 0.726 -1.209 1.00 0.00 H new ATOM 0 HA LEU A 81 8.301 -0.439 -3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.616 -0.982 -1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.558 -2.141 -2.362 1.00 0.00 H new ATOM 0 HG LEU A 81 8.920 -0.739 -0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.036 -2.363 1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.757 -1.308 0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.914 -2.981 0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 81 9.986 -2.953 0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.950 -3.589 -1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.147 -2.322 -1.507 1.00 0.00 H new ATOM 1200 N THR A 82 6.266 1.121 -3.280 1.00 0.00 N ATOM 1201 CA THR A 82 5.337 2.250 -3.328 1.00 0.00 C ATOM 1202 C THR A 82 3.944 1.806 -2.893 1.00 0.00 C ATOM 1203 O THR A 82 3.436 0.807 -3.389 1.00 0.00 O ATOM 1204 CB THR A 82 5.278 2.798 -4.753 1.00 0.00 C ATOM 1205 OG1 THR A 82 5.531 1.768 -5.694 1.00 0.00 O ATOM 1206 CG2 THR A 82 6.272 3.903 -5.006 1.00 0.00 C ATOM 0 H THR A 82 6.014 0.345 -3.891 1.00 0.00 H new ATOM 0 HA THR A 82 5.687 3.028 -2.649 1.00 0.00 H new ATOM 0 HB THR A 82 4.272 3.202 -4.869 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.488 2.136 -6.601 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.178 4.248 -6.036 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.075 4.732 -4.326 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.282 3.529 -4.839 1.00 0.00 H new ATOM 1214 N ILE A 83 3.317 2.542 -1.975 1.00 0.00 N ATOM 1215 CA ILE A 83 1.993 2.141 -1.491 1.00 0.00 C ATOM 1216 C ILE A 83 0.904 3.191 -1.816 1.00 0.00 C ATOM 1217 O ILE A 83 0.731 3.533 -2.985 1.00 0.00 O ATOM 1218 CB ILE A 83 2.036 1.738 0.003 1.00 0.00 C ATOM 1219 CG1 ILE A 83 0.702 1.158 0.484 1.00 0.00 C ATOM 1220 CG2 ILE A 83 2.478 2.903 0.860 1.00 0.00 C ATOM 1221 CD1 ILE A 83 0.847 -0.191 1.140 1.00 0.00 C ATOM 0 H ILE A 83 3.690 3.396 -1.560 1.00 0.00 H new ATOM 0 HA ILE A 83 1.699 1.247 -2.040 1.00 0.00 H new ATOM 0 HB ILE A 83 2.775 0.943 0.106 1.00 0.00 H new ATOM 0 HG12 ILE A 83 0.244 1.851 1.190 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.023 1.072 -0.364 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.501 2.597 1.906 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.474 3.223 0.553 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.778 3.730 0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.132 -0.548 1.459 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.277 -0.897 0.429 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.502 -0.105 2.007 1.00 0.00 H new ATOM 1233 N GLY A 84 0.095 3.619 -0.837 1.00 0.00 N ATOM 1234 CA GLY A 84 -0.963 4.566 -1.130 1.00 0.00 C ATOM 1235 C GLY A 84 -0.410 5.933 -1.430 1.00 0.00 C ATOM 1236 O GLY A 84 -0.860 6.617 -2.349 1.00 0.00 O ATOM 0 H GLY A 84 0.158 3.327 0.138 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -1.544 4.212 -1.982 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -1.645 4.626 -0.282 1.00 0.00 H new ATOM 1240 N GLU A 85 0.598 6.311 -0.663 1.00 0.00 N ATOM 1241 CA GLU A 85 1.296 7.564 -0.880 1.00 0.00 C ATOM 1242 C GLU A 85 2.475 7.351 -1.830 1.00 0.00 C ATOM 1243 O GLU A 85 3.346 8.212 -1.955 1.00 0.00 O ATOM 1244 CB GLU A 85 1.787 8.136 0.451 1.00 0.00 C ATOM 1245 CG GLU A 85 0.729 8.127 1.544 1.00 0.00 C ATOM 1246 CD GLU A 85 -0.594 8.704 1.080 1.00 0.00 C ATOM 1247 OE1 GLU A 85 -0.636 9.911 0.761 1.00 0.00 O ATOM 1248 OE2 GLU A 85 -1.588 7.950 1.037 1.00 0.00 O ATOM 0 H GLU A 85 0.952 5.763 0.121 1.00 0.00 H new ATOM 0 HA GLU A 85 0.605 8.276 -1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.650 7.562 0.788 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.127 9.160 0.294 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.575 7.104 1.887 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.090 8.698 2.399 1.00 0.00 H new ATOM 1255 N GLU A 86 2.499 6.190 -2.493 1.00 0.00 N ATOM 1256 CA GLU A 86 3.554 5.863 -3.436 1.00 0.00 C ATOM 1257 C GLU A 86 4.901 5.740 -2.741 1.00 0.00 C ATOM 1258 O GLU A 86 5.940 5.955 -3.364 1.00 0.00 O ATOM 1259 CB GLU A 86 3.631 6.934 -4.527 1.00 0.00 C ATOM 1260 CG GLU A 86 2.750 6.640 -5.731 1.00 0.00 C ATOM 1261 CD GLU A 86 3.113 7.484 -6.938 1.00 0.00 C ATOM 1262 OE1 GLU A 86 3.140 8.726 -6.807 1.00 0.00 O ATOM 1263 OE2 GLU A 86 3.369 6.903 -8.013 1.00 0.00 O ATOM 0 H GLU A 86 1.792 5.463 -2.387 1.00 0.00 H new ATOM 0 HA GLU A 86 3.315 4.899 -3.885 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.342 7.895 -4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.665 7.030 -4.858 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.836 5.585 -5.991 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.708 6.819 -5.467 1.00 0.00 H new ATOM 1270 N ASN A 87 4.896 5.515 -1.430 1.00 0.00 N ATOM 1271 CA ASN A 87 6.161 5.383 -0.717 1.00 0.00 C ATOM 1272 C ASN A 87 6.124 4.374 0.432 1.00 0.00 C ATOM 1273 O ASN A 87 5.508 4.604 1.472 1.00 0.00 O ATOM 1274 CB ASN A 87 6.646 6.745 -0.231 1.00 0.00 C ATOM 1275 CG ASN A 87 8.022 7.076 -0.780 1.00 0.00 C ATOM 1276 OD1 ASN A 87 8.907 7.576 0.076 1.00 0.00 O flip ATOM 1277 ND2 ASN A 87 8.291 6.880 -1.966 1.00 0.00 N flip ATOM 0 H ASN A 87 4.058 5.423 -0.855 1.00 0.00 H new ATOM 0 HA ASN A 87 6.873 4.981 -1.438 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.937 7.515 -0.536 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.676 6.754 0.859 1.00 0.00 H new ATOM 0 HD21 ASN A 87 7.584 6.494 -2.592 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.221 7.103 -2.322 1.00 0.00 H new ATOM 1284 N PHE A 88 6.867 3.292 0.240 1.00 0.00 N ATOM 1285 CA PHE A 88 7.064 2.250 1.240 1.00 0.00 C ATOM 1286 C PHE A 88 8.513 1.784 1.165 1.00 0.00 C ATOM 1287 O PHE A 88 8.995 1.417 0.094 1.00 0.00 O ATOM 1288 CB PHE A 88 6.152 1.054 0.964 1.00 0.00 C ATOM 1289 CG PHE A 88 4.993 0.861 1.900 1.00 0.00 C ATOM 1290 CD1 PHE A 88 4.557 1.874 2.724 1.00 0.00 C ATOM 1291 CD2 PHE A 88 4.335 -0.359 1.938 1.00 0.00 C ATOM 1292 CE1 PHE A 88 3.478 1.681 3.570 1.00 0.00 C ATOM 1293 CE2 PHE A 88 3.266 -0.561 2.787 1.00 0.00 C ATOM 1294 CZ PHE A 88 2.822 0.467 3.588 1.00 0.00 C ATOM 0 H PHE A 88 7.360 3.110 -0.634 1.00 0.00 H new ATOM 0 HA PHE A 88 6.828 2.651 2.226 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.760 1.151 -0.048 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.760 0.150 0.984 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.062 2.829 2.710 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.664 -1.162 1.295 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.149 2.481 4.216 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.778 -1.524 2.823 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.964 0.324 4.228 1.00 0.00 H new ATOM 1304 N TRP A 89 9.210 1.808 2.280 1.00 0.00 N ATOM 1305 CA TRP A 89 10.596 1.361 2.305 1.00 0.00 C ATOM 1306 C TRP A 89 10.750 0.181 3.237 1.00 0.00 C ATOM 1307 O TRP A 89 10.073 0.100 4.261 1.00 0.00 O ATOM 1308 CB TRP A 89 11.549 2.485 2.714 1.00 0.00 C ATOM 1309 CG TRP A 89 11.589 3.613 1.731 1.00 0.00 C ATOM 1310 CD1 TRP A 89 10.522 4.281 1.206 1.00 0.00 C ATOM 1311 CD2 TRP A 89 12.758 4.189 1.135 1.00 0.00 C ATOM 1312 NE1 TRP A 89 10.956 5.245 0.327 1.00 0.00 N ATOM 1313 CE2 TRP A 89 12.323 5.208 0.266 1.00 0.00 C ATOM 1314 CE3 TRP A 89 14.129 3.945 1.256 1.00 0.00 C ATOM 1315 CZ2 TRP A 89 13.211 5.981 -0.476 1.00 0.00 C ATOM 1316 CZ3 TRP A 89 15.010 4.715 0.518 1.00 0.00 C ATOM 1317 CH2 TRP A 89 14.548 5.722 -0.338 1.00 0.00 C ATOM 0 H TRP A 89 8.848 2.129 3.178 1.00 0.00 H new ATOM 0 HA TRP A 89 10.861 1.056 1.293 1.00 0.00 H new ATOM 0 HB2 TRP A 89 11.248 2.871 3.688 1.00 0.00 H new ATOM 0 HB3 TRP A 89 12.553 2.077 2.830 1.00 0.00 H new ATOM 0 HD1 TRP A 89 9.488 4.082 1.446 1.00 0.00 H new ATOM 0 HE1 TRP A 89 10.357 5.884 -0.195 1.00 0.00 H new ATOM 0 HE3 TRP A 89 14.494 3.170 1.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 12.858 6.758 -1.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 16.072 4.536 0.604 1.00 0.00 H new ATOM 0 HH2 TRP A 89 15.261 6.306 -0.901 1.00 0.00 H new ATOM 1328 N VAL A 90 11.629 -0.742 2.884 1.00 0.00 N ATOM 1329 CA VAL A 90 11.811 -1.918 3.704 1.00 0.00 C ATOM 1330 C VAL A 90 12.773 -1.613 4.836 1.00 0.00 C ATOM 1331 O VAL A 90 13.976 -1.435 4.640 1.00 0.00 O ATOM 1332 CB VAL A 90 12.340 -3.118 2.892 1.00 0.00 C ATOM 1333 CG1 VAL A 90 13.753 -2.863 2.393 1.00 0.00 C ATOM 1334 CG2 VAL A 90 12.284 -4.383 3.732 1.00 0.00 C ATOM 0 H VAL A 90 12.216 -0.699 2.051 1.00 0.00 H new ATOM 0 HA VAL A 90 10.834 -2.190 4.103 1.00 0.00 H new ATOM 0 HB VAL A 90 11.701 -3.250 2.019 1.00 0.00 H new ATOM 0 HG11 VAL A 90 14.099 -3.726 1.824 1.00 0.00 H new ATOM 0 HG12 VAL A 90 13.759 -1.980 1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 90 14.415 -2.700 3.243 1.00 0.00 H new ATOM 0 HG21 VAL A 90 12.660 -5.224 3.149 1.00 0.00 H new ATOM 0 HG22 VAL A 90 12.899 -4.256 4.623 1.00 0.00 H new ATOM 0 HG23 VAL A 90 11.253 -4.578 4.027 1.00 0.00 H new ATOM 1344 N ASP A 91 12.200 -1.522 6.021 1.00 0.00 N ATOM 1345 CA ASP A 91 12.939 -1.226 7.229 1.00 0.00 C ATOM 1346 C ASP A 91 13.358 -2.513 7.943 1.00 0.00 C ATOM 1347 O ASP A 91 14.097 -2.471 8.926 1.00 0.00 O ATOM 1348 CB ASP A 91 12.060 -0.373 8.139 1.00 0.00 C ATOM 1349 CG ASP A 91 12.846 0.302 9.246 1.00 0.00 C ATOM 1350 OD1 ASP A 91 13.531 1.306 8.962 1.00 0.00 O ATOM 1351 OD2 ASP A 91 12.776 -0.175 10.399 1.00 0.00 O ATOM 0 H ASP A 91 11.200 -1.653 6.171 1.00 0.00 H new ATOM 0 HA ASP A 91 13.848 -0.682 6.974 1.00 0.00 H new ATOM 0 HB2 ASP A 91 11.555 0.387 7.542 1.00 0.00 H new ATOM 0 HB3 ASP A 91 11.284 -0.999 8.580 1.00 0.00 H new ATOM 1356 N ARG A 92 12.893 -3.655 7.417 1.00 0.00 N ATOM 1357 CA ARG A 92 13.201 -4.980 7.964 1.00 0.00 C ATOM 1358 C ARG A 92 14.602 -5.056 8.556 1.00 0.00 C ATOM 1359 O ARG A 92 15.490 -4.283 8.194 1.00 0.00 O ATOM 1360 CB ARG A 92 13.053 -6.037 6.871 1.00 0.00 C ATOM 1361 CG ARG A 92 11.614 -6.257 6.452 1.00 0.00 C ATOM 1362 CD ARG A 92 11.223 -7.723 6.540 1.00 0.00 C ATOM 1363 NE ARG A 92 12.139 -8.580 5.794 1.00 0.00 N ATOM 1364 CZ ARG A 92 11.918 -9.869 5.562 1.00 0.00 C ATOM 1365 NH1 ARG A 92 10.813 -10.445 6.016 1.00 0.00 N ATOM 1366 NH2 ARG A 92 12.799 -10.583 4.875 1.00 0.00 N ATOM 0 H ARG A 92 12.289 -3.683 6.595 1.00 0.00 H new ATOM 0 HA ARG A 92 12.493 -5.167 8.772 1.00 0.00 H new ATOM 0 HB2 ARG A 92 13.637 -5.737 6.001 1.00 0.00 H new ATOM 0 HB3 ARG A 92 13.471 -6.979 7.225 1.00 0.00 H new ATOM 0 HG2 ARG A 92 10.955 -5.665 7.088 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.474 -5.903 5.431 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.208 -8.032 7.585 1.00 0.00 H new ATOM 0 HD3 ARG A 92 10.211 -7.852 6.155 1.00 0.00 H new ATOM 0 HE ARG A 92 12.997 -8.166 5.430 1.00 0.00 H new ATOM 0 HH11 ARG A 92 10.133 -9.898 6.543 1.00 0.00 H new ATOM 0 HH12 ARG A 92 10.644 -11.435 5.838 1.00 0.00 H new ATOM 0 HH21 ARG A 92 13.649 -10.143 4.523 1.00 0.00 H new ATOM 0 HH22 ARG A 92 12.627 -11.573 4.698 1.00 0.00 H new ATOM 1499 N LEU A 103 7.890 -7.404 8.487 1.00 0.00 N ATOM 1500 CA LEU A 103 8.166 -6.405 7.482 1.00 0.00 C ATOM 1501 C LEU A 103 7.945 -5.016 8.057 1.00 0.00 C ATOM 1502 O LEU A 103 6.814 -4.539 8.154 1.00 0.00 O ATOM 1503 CB LEU A 103 7.291 -6.607 6.254 1.00 0.00 C ATOM 1504 CG LEU A 103 7.756 -5.828 5.019 1.00 0.00 C ATOM 1505 CD1 LEU A 103 8.784 -6.633 4.238 1.00 0.00 C ATOM 1506 CD2 LEU A 103 6.578 -5.467 4.135 1.00 0.00 C ATOM 0 HA LEU A 103 9.207 -6.507 7.177 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.264 -7.669 6.011 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.271 -6.309 6.495 1.00 0.00 H new ATOM 0 HG LEU A 103 8.224 -4.903 5.355 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.103 -6.065 3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.646 -6.837 4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.340 -7.575 3.916 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.932 -4.915 3.265 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.076 -6.378 3.807 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.878 -4.849 4.697 1.00 0.00 H new ATOM 1518 N TRP A 104 9.036 -4.366 8.407 1.00 0.00 N ATOM 1519 CA TRP A 104 8.987 -3.052 8.999 1.00 0.00 C ATOM 1520 C TRP A 104 9.202 -2.008 7.911 1.00 0.00 C ATOM 1521 O TRP A 104 10.006 -2.209 7.006 1.00 0.00 O ATOM 1522 CB TRP A 104 10.040 -2.975 10.099 1.00 0.00 C ATOM 1523 CG TRP A 104 9.460 -3.070 11.476 1.00 0.00 C ATOM 1524 CD1 TRP A 104 8.885 -2.067 12.200 1.00 0.00 C ATOM 1525 CD2 TRP A 104 9.380 -4.248 12.287 1.00 0.00 C ATOM 1526 NE1 TRP A 104 8.469 -2.545 13.419 1.00 0.00 N ATOM 1527 CE2 TRP A 104 8.758 -3.881 13.496 1.00 0.00 C ATOM 1528 CE3 TRP A 104 9.779 -5.576 12.110 1.00 0.00 C ATOM 1529 CZ2 TRP A 104 8.524 -4.796 14.520 1.00 0.00 C ATOM 1530 CZ3 TRP A 104 9.547 -6.482 13.128 1.00 0.00 C ATOM 1531 CH2 TRP A 104 8.924 -6.088 14.320 1.00 0.00 C ATOM 0 H TRP A 104 9.979 -4.736 8.288 1.00 0.00 H new ATOM 0 HA TRP A 104 8.015 -2.855 9.452 1.00 0.00 H new ATOM 0 HB2 TRP A 104 10.762 -3.779 9.959 1.00 0.00 H new ATOM 0 HB3 TRP A 104 10.586 -2.036 10.005 1.00 0.00 H new ATOM 0 HD1 TRP A 104 8.773 -1.047 11.864 1.00 0.00 H new ATOM 0 HE1 TRP A 104 8.018 -1.994 14.149 1.00 0.00 H new ATOM 0 HE3 TRP A 104 10.260 -5.888 11.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 8.044 -4.495 15.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 9.851 -7.511 13.003 1.00 0.00 H new ATOM 0 HH2 TRP A 104 8.756 -6.820 15.096 1.00 0.00 H new ATOM 1542 N LEU A 105 8.368 -0.971 7.915 1.00 0.00 N ATOM 1543 CA LEU A 105 8.352 -0.014 6.820 1.00 0.00 C ATOM 1544 C LEU A 105 8.980 1.329 7.145 1.00 0.00 C ATOM 1545 O LEU A 105 9.023 1.765 8.296 1.00 0.00 O ATOM 1546 CB LEU A 105 6.921 0.263 6.388 1.00 0.00 C ATOM 1547 CG LEU A 105 6.049 -0.961 6.178 1.00 0.00 C ATOM 1548 CD1 LEU A 105 5.628 -1.538 7.518 1.00 0.00 C ATOM 1549 CD2 LEU A 105 4.850 -0.581 5.353 1.00 0.00 C ATOM 0 H LEU A 105 7.700 -0.775 8.661 1.00 0.00 H new ATOM 0 HA LEU A 105 8.945 -0.484 6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.450 0.897 7.139 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.945 0.833 5.459 1.00 0.00 H new ATOM 0 HG LEU A 105 6.613 -1.727 5.645 1.00 0.00 H new ATOM 0 HD11 LEU A 105 5.003 -2.416 7.356 1.00 0.00 H new ATOM 0 HD12 LEU A 105 6.514 -1.823 8.086 1.00 0.00 H new ATOM 0 HD13 LEU A 105 5.065 -0.790 8.076 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.221 -1.458 5.200 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.280 0.188 5.873 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.180 -0.198 4.387 1.00 0.00 H new ATOM 1561 N GLY A 106 9.321 2.028 6.073 1.00 0.00 N ATOM 1562 CA GLY A 106 9.799 3.390 6.151 1.00 0.00 C ATOM 1563 C GLY A 106 9.166 4.236 5.052 1.00 0.00 C ATOM 1564 O GLY A 106 9.548 4.136 3.890 1.00 0.00 O ATOM 0 H GLY A 106 9.272 1.660 5.123 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.560 3.811 7.127 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.884 3.408 6.054 1.00 0.00 H new ATOM 1568 N ARG A 107 8.172 5.047 5.404 1.00 0.00 N ATOM 1569 CA ARG A 107 7.475 5.855 4.405 1.00 0.00 C ATOM 1570 C ARG A 107 8.042 7.269 4.363 1.00 0.00 C ATOM 1571 O ARG A 107 8.578 7.765 5.353 1.00 0.00 O ATOM 1572 CB ARG A 107 5.980 5.948 4.718 1.00 0.00 C ATOM 1573 CG ARG A 107 5.230 4.634 4.574 1.00 0.00 C ATOM 1574 CD ARG A 107 3.847 4.785 3.922 1.00 0.00 C ATOM 1575 NE ARG A 107 3.428 6.174 3.737 1.00 0.00 N ATOM 1576 CZ ARG A 107 3.227 7.020 4.743 1.00 0.00 C ATOM 1577 NH1 ARG A 107 3.410 6.620 5.994 1.00 0.00 N ATOM 1578 NH2 ARG A 107 2.846 8.265 4.498 1.00 0.00 N ATOM 0 H ARG A 107 7.834 5.162 6.359 1.00 0.00 H new ATOM 0 HA ARG A 107 7.619 5.367 3.441 1.00 0.00 H new ATOM 0 HB2 ARG A 107 5.856 6.314 5.737 1.00 0.00 H new ATOM 0 HB3 ARG A 107 5.527 6.686 4.056 1.00 0.00 H new ATOM 0 HG2 ARG A 107 5.830 3.946 3.979 1.00 0.00 H new ATOM 0 HG3 ARG A 107 5.111 4.183 5.559 1.00 0.00 H new ATOM 0 HD2 ARG A 107 3.857 4.286 2.953 1.00 0.00 H new ATOM 0 HD3 ARG A 107 3.108 4.272 4.537 1.00 0.00 H new ATOM 0 HE ARG A 107 3.282 6.512 2.786 1.00 0.00 H new ATOM 0 HH11 ARG A 107 3.705 5.663 6.185 1.00 0.00 H new ATOM 0 HH12 ARG A 107 3.256 7.270 6.765 1.00 0.00 H new ATOM 0 HH21 ARG A 107 2.706 8.576 3.537 1.00 0.00 H new ATOM 0 HH22 ARG A 107 2.692 8.913 5.271 1.00 0.00 H new ATOM 1592 N GLY A 108 7.873 7.927 3.225 1.00 0.00 N ATOM 1593 CA GLY A 108 8.356 9.290 3.075 1.00 0.00 C ATOM 1594 C GLY A 108 7.423 10.182 2.263 1.00 0.00 C ATOM 1595 O GLY A 108 7.741 11.348 2.030 1.00 0.00 O ATOM 0 H GLY A 108 7.410 7.544 2.401 1.00 0.00 H new ATOM 0 HA2 GLY A 108 8.495 9.728 4.063 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.334 9.269 2.595 1.00 0.00 H new