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 -98:sc= -2.29! USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -2.46! USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 31 SER OG : rot -129:sc= 0.915 USER MOD Single : A 34 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.011) USER MOD Single : A 35 SER OG : rot 35:sc= 0.307 USER MOD Single : A 64 SER OG : rot -15:sc= 0.782 USER MOD Single : A 69 THR OG1 : rot -29:sc= 0.528 USER MOD Single : A 74 GLN : amide:sc=-0.00131 X(o=-0.0013,f=-0.39) USER MOD Single : A 80 THR OG1 : rot -94:sc= 0.686 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.753 USER MOD Single : A 87 ASN : amide:sc= -5.57! C(o=-5.6!,f=-6.4!) USER MOD ----------------------------------------------------------------- ATOM 351 N GLY A 24 -8.183 -1.330 2.067 1.00 0.00 N ATOM 352 CA GLY A 24 -8.032 -1.149 0.635 1.00 0.00 C ATOM 353 C GLY A 24 -6.678 -0.584 0.255 1.00 0.00 C ATOM 354 O GLY A 24 -6.581 0.256 -0.639 1.00 0.00 O ATOM 0 HA2 GLY A 24 -8.174 -2.107 0.135 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.814 -0.481 0.273 1.00 0.00 H new ATOM 358 N THR A 25 -5.625 -1.073 0.902 1.00 0.00 N ATOM 359 CA THR A 25 -4.279 -0.591 0.623 1.00 0.00 C ATOM 360 C THR A 25 -3.582 -1.434 -0.429 1.00 0.00 C ATOM 361 O THR A 25 -3.620 -2.665 -0.393 1.00 0.00 O ATOM 362 CB THR A 25 -3.426 -0.590 1.888 1.00 0.00 C ATOM 363 OG1 THR A 25 -2.047 -0.586 1.560 1.00 0.00 O ATOM 364 CG2 THR A 25 -3.676 -1.788 2.781 1.00 0.00 C ATOM 0 H THR A 25 -5.678 -1.798 1.618 1.00 0.00 H new ATOM 0 HA THR A 25 -4.387 0.426 0.247 1.00 0.00 H new ATOM 0 HB THR A 25 -3.711 0.313 2.428 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.698 -1.501 1.602 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.037 -1.725 3.662 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.721 -1.799 3.090 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.450 -2.703 2.234 1.00 0.00 H new ATOM 372 N SER A 26 -2.884 -0.750 -1.321 1.00 0.00 N ATOM 373 CA SER A 26 -2.103 -1.402 -2.351 1.00 0.00 C ATOM 374 C SER A 26 -0.657 -0.954 -2.252 1.00 0.00 C ATOM 375 O SER A 26 -0.383 0.240 -2.245 1.00 0.00 O ATOM 376 CB SER A 26 -2.645 -1.049 -3.733 1.00 0.00 C ATOM 377 OG SER A 26 -4.011 -1.408 -3.855 1.00 0.00 O ATOM 0 H SER A 26 -2.845 0.269 -1.349 1.00 0.00 H new ATOM 0 HA SER A 26 -2.168 -2.481 -2.209 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.530 0.021 -3.909 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.062 -1.562 -4.497 1.00 0.00 H new ATOM 0 HG SER A 26 -4.333 -1.169 -4.749 1.00 0.00 H new ATOM 383 N ALA A 27 0.266 -1.905 -2.208 1.00 0.00 N ATOM 384 CA ALA A 27 1.685 -1.582 -2.146 1.00 0.00 C ATOM 385 C ALA A 27 2.415 -2.264 -3.281 1.00 0.00 C ATOM 386 O ALA A 27 2.086 -3.382 -3.663 1.00 0.00 O ATOM 387 CB ALA A 27 2.289 -1.975 -0.803 1.00 0.00 C ATOM 0 H ALA A 27 0.059 -2.904 -2.214 1.00 0.00 H new ATOM 0 HA ALA A 27 1.795 -0.502 -2.248 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.349 -1.720 -0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.778 -1.439 -0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.173 -3.048 -0.652 1.00 0.00 H new ATOM 393 N THR A 28 3.353 -1.549 -3.864 1.00 0.00 N ATOM 394 CA THR A 28 4.087 -2.044 -5.005 1.00 0.00 C ATOM 395 C THR A 28 5.551 -2.237 -4.651 1.00 0.00 C ATOM 396 O THR A 28 6.182 -1.349 -4.091 1.00 0.00 O ATOM 397 CB THR A 28 3.921 -1.066 -6.170 1.00 0.00 C ATOM 398 OG1 THR A 28 2.632 -1.195 -6.745 1.00 0.00 O ATOM 399 CG2 THR A 28 4.933 -1.249 -7.278 1.00 0.00 C ATOM 0 H THR A 28 3.626 -0.614 -3.562 1.00 0.00 H new ATOM 0 HA THR A 28 3.692 -3.015 -5.303 1.00 0.00 H new ATOM 0 HB THR A 28 4.073 -0.079 -5.733 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.540 -0.562 -7.488 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.747 -0.518 -8.065 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.938 -1.106 -6.880 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.845 -2.255 -7.689 1.00 0.00 H new ATOM 407 N ILE A 29 6.077 -3.404 -4.986 1.00 0.00 N ATOM 408 CA ILE A 29 7.455 -3.738 -4.689 1.00 0.00 C ATOM 409 C ILE A 29 8.340 -3.557 -5.908 1.00 0.00 C ATOM 410 O ILE A 29 8.058 -4.084 -6.983 1.00 0.00 O ATOM 411 CB ILE A 29 7.577 -5.192 -4.212 1.00 0.00 C ATOM 412 CG1 ILE A 29 6.414 -5.564 -3.284 1.00 0.00 C ATOM 413 CG2 ILE A 29 8.905 -5.423 -3.519 1.00 0.00 C ATOM 414 CD1 ILE A 29 6.106 -4.514 -2.236 1.00 0.00 C ATOM 0 H ILE A 29 5.562 -4.141 -5.468 1.00 0.00 H new ATOM 0 HA ILE A 29 7.782 -3.062 -3.899 1.00 0.00 H new ATOM 0 HB ILE A 29 7.532 -5.837 -5.090 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.522 -5.735 -3.886 1.00 0.00 H new ATOM 0 HG13 ILE A 29 6.647 -6.505 -2.785 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.968 -6.460 -3.190 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.719 -5.212 -4.213 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.984 -4.763 -2.655 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.272 -4.849 -1.619 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.983 -4.359 -1.608 1.00 0.00 H new ATOM 0 HD13 ILE A 29 5.841 -3.577 -2.726 1.00 0.00 H new ATOM 426 N THR A 30 9.422 -2.826 -5.721 1.00 0.00 N ATOM 427 CA THR A 30 10.370 -2.583 -6.794 1.00 0.00 C ATOM 428 C THR A 30 11.802 -2.721 -6.294 1.00 0.00 C ATOM 429 O THR A 30 12.357 -1.795 -5.700 1.00 0.00 O ATOM 430 CB THR A 30 10.148 -1.191 -7.383 1.00 0.00 C ATOM 431 OG1 THR A 30 11.278 -0.772 -8.127 1.00 0.00 O ATOM 432 CG2 THR A 30 9.865 -0.136 -6.336 1.00 0.00 C ATOM 0 H THR A 30 9.668 -2.388 -4.833 1.00 0.00 H new ATOM 0 HA THR A 30 10.208 -3.329 -7.572 1.00 0.00 H new ATOM 0 HB THR A 30 9.271 -1.286 -8.023 1.00 0.00 H new ATOM 0 HG1 THR A 30 11.114 0.121 -8.496 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.717 0.828 -6.822 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.965 -0.405 -5.782 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.708 -0.070 -5.648 1.00 0.00 H new ATOM 440 N SER A 31 12.399 -3.879 -6.550 1.00 0.00 N ATOM 441 CA SER A 31 13.763 -4.147 -6.132 1.00 0.00 C ATOM 442 C SER A 31 14.744 -3.857 -7.263 1.00 0.00 C ATOM 443 O SER A 31 14.364 -3.815 -8.432 1.00 0.00 O ATOM 444 CB SER A 31 13.905 -5.601 -5.678 1.00 0.00 C ATOM 445 OG SER A 31 12.828 -5.981 -4.838 1.00 0.00 O ATOM 0 H SER A 31 11.954 -4.650 -7.048 1.00 0.00 H new ATOM 0 HA SER A 31 13.996 -3.489 -5.295 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.939 -6.255 -6.549 1.00 0.00 H new ATOM 0 HB3 SER A 31 14.848 -5.729 -5.146 1.00 0.00 H new ATOM 0 HG SER A 31 13.180 -6.383 -4.016 1.00 0.00 H new ATOM 451 N GLY A 32 16.007 -3.663 -6.906 1.00 0.00 N ATOM 452 CA GLY A 32 17.022 -3.376 -7.903 1.00 0.00 C ATOM 453 C GLY A 32 17.186 -4.491 -8.919 1.00 0.00 C ATOM 454 O GLY A 32 17.805 -4.295 -9.964 1.00 0.00 O ATOM 0 H GLY A 32 16.347 -3.699 -5.945 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.763 -2.454 -8.423 1.00 0.00 H new ATOM 0 HA3 GLY A 32 17.975 -3.203 -7.404 1.00 0.00 H new ATOM 458 N GLU A 33 16.638 -5.663 -8.615 1.00 0.00 N ATOM 459 CA GLU A 33 16.761 -6.811 -9.507 1.00 0.00 C ATOM 460 C GLU A 33 15.400 -7.316 -9.977 1.00 0.00 C ATOM 461 O GLU A 33 15.204 -7.576 -11.164 1.00 0.00 O ATOM 462 CB GLU A 33 17.511 -7.944 -8.805 1.00 0.00 C ATOM 463 CG GLU A 33 18.869 -7.531 -8.264 1.00 0.00 C ATOM 464 CD GLU A 33 19.279 -8.329 -7.042 1.00 0.00 C ATOM 465 OE1 GLU A 33 18.740 -8.058 -5.949 1.00 0.00 O ATOM 466 OE2 GLU A 33 20.137 -9.226 -7.180 1.00 0.00 O ATOM 0 H GLU A 33 16.107 -5.843 -7.763 1.00 0.00 H new ATOM 0 HA GLU A 33 17.320 -6.483 -10.384 1.00 0.00 H new ATOM 0 HB2 GLU A 33 16.900 -8.318 -7.983 1.00 0.00 H new ATOM 0 HB3 GLU A 33 17.644 -8.769 -9.505 1.00 0.00 H new ATOM 0 HG2 GLU A 33 19.620 -7.657 -9.044 1.00 0.00 H new ATOM 0 HG3 GLU A 33 18.848 -6.471 -8.010 1.00 0.00 H new ATOM 473 N GLN A 34 14.471 -7.490 -9.041 1.00 0.00 N ATOM 474 CA GLN A 34 13.150 -8.010 -9.374 1.00 0.00 C ATOM 475 C GLN A 34 12.043 -7.032 -8.995 1.00 0.00 C ATOM 476 O GLN A 34 11.242 -7.301 -8.099 1.00 0.00 O ATOM 477 CB GLN A 34 12.918 -9.351 -8.674 1.00 0.00 C ATOM 478 CG GLN A 34 11.568 -9.975 -8.989 1.00 0.00 C ATOM 479 CD GLN A 34 11.623 -11.489 -9.045 1.00 0.00 C ATOM 480 OE1 GLN A 34 10.910 -12.175 -8.311 1.00 0.00 O ATOM 481 NE2 GLN A 34 12.469 -12.020 -9.920 1.00 0.00 N ATOM 0 H GLN A 34 14.608 -7.280 -8.052 1.00 0.00 H new ATOM 0 HA GLN A 34 13.117 -8.151 -10.454 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.707 -10.045 -8.965 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.001 -9.208 -7.597 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.845 -9.669 -8.232 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.210 -9.593 -9.945 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.041 -11.414 -10.509 1.00 0.00 H new ATOM 0 HE22 GLN A 34 12.547 -13.034 -10.004 1.00 0.00 H new ATOM 490 N SER A 35 11.983 -5.912 -9.705 1.00 0.00 N ATOM 491 CA SER A 35 10.955 -4.905 -9.465 1.00 0.00 C ATOM 492 C SER A 35 9.817 -5.050 -10.470 1.00 0.00 C ATOM 493 O SER A 35 10.034 -4.997 -11.680 1.00 0.00 O ATOM 494 CB SER A 35 11.556 -3.503 -9.568 1.00 0.00 C ATOM 495 OG SER A 35 12.232 -3.327 -10.801 1.00 0.00 O ATOM 0 H SER A 35 12.635 -5.677 -10.453 1.00 0.00 H new ATOM 0 HA SER A 35 10.559 -5.054 -8.461 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.766 -2.758 -9.473 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.249 -3.340 -8.743 1.00 0.00 H new ATOM 0 HG SER A 35 11.762 -3.821 -11.505 1.00 0.00 H new ATOM 501 N GLY A 36 8.605 -5.237 -9.962 1.00 0.00 N ATOM 502 CA GLY A 36 7.453 -5.386 -10.833 1.00 0.00 C ATOM 503 C GLY A 36 6.389 -6.286 -10.238 1.00 0.00 C ATOM 504 O GLY A 36 5.800 -7.111 -10.938 1.00 0.00 O ATOM 0 H GLY A 36 8.399 -5.288 -8.964 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.024 -4.404 -11.033 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.776 -5.794 -11.791 1.00 0.00 H new ATOM 508 N ALA A 37 6.139 -6.127 -8.943 1.00 0.00 N ATOM 509 CA ALA A 37 5.136 -6.927 -8.253 1.00 0.00 C ATOM 510 C ALA A 37 4.361 -6.078 -7.253 1.00 0.00 C ATOM 511 O ALA A 37 4.941 -5.500 -6.333 1.00 0.00 O ATOM 512 CB ALA A 37 5.790 -8.107 -7.553 1.00 0.00 C ATOM 0 H ALA A 37 6.619 -5.450 -8.350 1.00 0.00 H new ATOM 0 HA ALA A 37 4.433 -7.307 -8.994 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.028 -8.695 -7.042 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.297 -8.731 -8.289 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.515 -7.742 -6.825 1.00 0.00 H new ATOM 518 N VAL A 38 3.045 -6.023 -7.425 1.00 0.00 N ATOM 519 CA VAL A 38 2.195 -5.231 -6.546 1.00 0.00 C ATOM 520 C VAL A 38 1.524 -6.101 -5.486 1.00 0.00 C ATOM 521 O VAL A 38 0.776 -7.027 -5.802 1.00 0.00 O ATOM 522 CB VAL A 38 1.120 -4.470 -7.344 1.00 0.00 C ATOM 523 CG1 VAL A 38 0.226 -3.662 -6.416 1.00 0.00 C ATOM 524 CG2 VAL A 38 1.769 -3.571 -8.386 1.00 0.00 C ATOM 0 H VAL A 38 2.545 -6.517 -8.164 1.00 0.00 H new ATOM 0 HA VAL A 38 2.841 -4.509 -6.048 1.00 0.00 H new ATOM 0 HB VAL A 38 0.496 -5.200 -7.860 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.525 -3.134 -7.003 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.269 -4.332 -5.713 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.830 -2.940 -5.866 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.996 -3.040 -8.941 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.419 -2.850 -7.890 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.358 -4.178 -9.074 1.00 0.00 H new ATOM 534 N ILE A 39 1.806 -5.789 -4.225 1.00 0.00 N ATOM 535 CA ILE A 39 1.248 -6.522 -3.098 1.00 0.00 C ATOM 536 C ILE A 39 0.276 -5.659 -2.300 1.00 0.00 C ATOM 537 O ILE A 39 0.326 -4.431 -2.359 1.00 0.00 O ATOM 538 CB ILE A 39 2.355 -7.007 -2.145 1.00 0.00 C ATOM 539 CG1 ILE A 39 3.090 -5.818 -1.531 1.00 0.00 C ATOM 540 CG2 ILE A 39 3.328 -7.923 -2.874 1.00 0.00 C ATOM 541 CD1 ILE A 39 2.557 -5.429 -0.172 1.00 0.00 C ATOM 0 H ILE A 39 2.425 -5.024 -3.958 1.00 0.00 H new ATOM 0 HA ILE A 39 0.719 -7.379 -3.516 1.00 0.00 H new ATOM 0 HB ILE A 39 1.891 -7.576 -1.340 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.149 -6.059 -1.444 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.012 -4.964 -2.203 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.103 -8.255 -2.183 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.792 -8.789 -3.261 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.787 -7.382 -3.701 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.121 -4.578 0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.505 -5.158 -0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.660 -6.270 0.514 1.00 0.00 H new ATOM 553 N ARG A 40 -0.589 -6.311 -1.530 1.00 0.00 N ATOM 554 CA ARG A 40 -1.540 -5.606 -0.680 1.00 0.00 C ATOM 555 C ARG A 40 -1.038 -5.583 0.759 1.00 0.00 C ATOM 556 O ARG A 40 -0.391 -6.526 1.216 1.00 0.00 O ATOM 557 CB ARG A 40 -2.919 -6.272 -0.748 1.00 0.00 C ATOM 558 CG ARG A 40 -3.898 -5.771 0.308 1.00 0.00 C ATOM 559 CD ARG A 40 -5.339 -6.045 -0.090 1.00 0.00 C ATOM 560 NE ARG A 40 -5.788 -5.166 -1.166 1.00 0.00 N ATOM 561 CZ ARG A 40 -7.062 -5.031 -1.522 1.00 0.00 C ATOM 562 NH1 ARG A 40 -8.006 -5.715 -0.889 1.00 0.00 N ATOM 563 NH2 ARG A 40 -7.394 -4.212 -2.510 1.00 0.00 N ATOM 0 H ARG A 40 -0.651 -7.328 -1.478 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.633 -4.581 -1.039 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.346 -6.101 -1.736 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.798 -7.349 -0.635 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.685 -6.255 1.261 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.758 -4.700 0.456 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.436 -7.084 -0.406 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.985 -5.914 0.778 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.086 -4.626 -1.672 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.755 -6.346 -0.128 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.983 -5.610 -1.164 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.671 -3.684 -2.999 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.372 -4.110 -2.781 1.00 0.00 H new ATOM 577 N GLY A 41 -1.336 -4.502 1.470 1.00 0.00 N ATOM 578 CA GLY A 41 -0.902 -4.389 2.850 1.00 0.00 C ATOM 579 C GLY A 41 -0.731 -2.954 3.292 1.00 0.00 C ATOM 580 O GLY A 41 -0.388 -2.088 2.487 1.00 0.00 O ATOM 0 H GLY A 41 -1.867 -3.706 1.118 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.629 -4.880 3.497 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.043 -4.918 2.974 1.00 0.00 H new ATOM 584 N VAL A 42 -0.969 -2.696 4.574 1.00 0.00 N ATOM 585 CA VAL A 42 -0.861 -1.344 5.102 1.00 0.00 C ATOM 586 C VAL A 42 0.203 -1.248 6.197 1.00 0.00 C ATOM 587 O VAL A 42 0.716 -2.252 6.687 1.00 0.00 O ATOM 588 CB VAL A 42 -2.249 -0.822 5.601 1.00 0.00 C ATOM 589 CG1 VAL A 42 -2.237 -0.317 7.047 1.00 0.00 C ATOM 590 CG2 VAL A 42 -2.746 0.274 4.674 1.00 0.00 C ATOM 0 H VAL A 42 -1.236 -3.401 5.261 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.538 -0.697 4.286 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.925 -1.677 5.583 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.234 0.028 7.320 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.938 -1.127 7.713 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.530 0.508 7.139 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.713 0.636 5.024 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.031 1.097 4.668 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.851 -0.123 3.664 1.00 0.00 H new ATOM 600 N PHE A 43 0.465 -0.014 6.599 1.00 0.00 N ATOM 601 CA PHE A 43 1.435 0.293 7.632 1.00 0.00 C ATOM 602 C PHE A 43 0.779 0.303 9.008 1.00 0.00 C ATOM 603 O PHE A 43 -0.282 0.899 9.195 1.00 0.00 O ATOM 604 CB PHE A 43 2.024 1.664 7.327 1.00 0.00 C ATOM 605 CG PHE A 43 2.969 2.197 8.365 1.00 0.00 C ATOM 606 CD1 PHE A 43 2.486 2.862 9.480 1.00 0.00 C ATOM 607 CD2 PHE A 43 4.341 2.086 8.198 1.00 0.00 C ATOM 608 CE1 PHE A 43 3.351 3.378 10.426 1.00 0.00 C ATOM 609 CE2 PHE A 43 5.210 2.598 9.141 1.00 0.00 C ATOM 610 CZ PHE A 43 4.715 3.251 10.253 1.00 0.00 C ATOM 0 H PHE A 43 0.004 0.809 6.212 1.00 0.00 H new ATOM 0 HA PHE A 43 2.215 -0.468 7.643 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.548 1.613 6.373 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.206 2.374 7.204 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.420 2.979 9.612 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.734 1.594 7.321 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.961 3.880 11.299 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.276 2.488 9.009 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.394 3.662 10.986 1.00 0.00 H new ATOM 893 N SER A 64 4.959 -2.070 11.462 1.00 0.00 N ATOM 894 CA SER A 64 5.073 -3.186 10.534 1.00 0.00 C ATOM 895 C SER A 64 4.019 -3.102 9.440 1.00 0.00 C ATOM 896 O SER A 64 3.062 -2.335 9.541 1.00 0.00 O ATOM 897 CB SER A 64 4.956 -4.516 11.280 1.00 0.00 C ATOM 898 OG SER A 64 4.508 -4.318 12.610 1.00 0.00 O ATOM 0 HA SER A 64 6.055 -3.131 10.064 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.263 -5.172 10.753 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.924 -5.017 11.290 1.00 0.00 H new ATOM 0 HG SER A 64 4.590 -3.370 12.845 1.00 0.00 H new ATOM 904 N LEU A 65 4.215 -3.888 8.388 1.00 0.00 N ATOM 905 CA LEU A 65 3.304 -3.891 7.252 1.00 0.00 C ATOM 906 C LEU A 65 2.583 -5.238 7.206 1.00 0.00 C ATOM 907 O LEU A 65 3.171 -6.275 7.515 1.00 0.00 O ATOM 908 CB LEU A 65 4.072 -3.632 5.941 1.00 0.00 C ATOM 909 CG LEU A 65 3.440 -4.212 4.665 1.00 0.00 C ATOM 910 CD1 LEU A 65 2.057 -3.621 4.439 1.00 0.00 C ATOM 911 CD2 LEU A 65 4.327 -3.946 3.460 1.00 0.00 C ATOM 0 H LEU A 65 5.000 -4.533 8.299 1.00 0.00 H new ATOM 0 HA LEU A 65 2.571 -3.092 7.365 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.179 -2.555 5.812 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.077 -4.042 6.044 1.00 0.00 H new ATOM 0 HG LEU A 65 3.342 -5.290 4.793 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.625 -4.043 3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.417 -3.857 5.289 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.136 -2.539 4.334 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.863 -4.364 2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.455 -2.871 3.333 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.300 -4.412 3.615 1.00 0.00 H new ATOM 923 N PHE A 66 1.291 -5.204 6.919 1.00 0.00 N ATOM 924 CA PHE A 66 0.480 -6.413 6.900 1.00 0.00 C ATOM 925 C PHE A 66 0.251 -6.887 5.477 1.00 0.00 C ATOM 926 O PHE A 66 -0.431 -6.231 4.696 1.00 0.00 O ATOM 927 CB PHE A 66 -0.862 -6.158 7.587 1.00 0.00 C ATOM 928 CG PHE A 66 -0.788 -6.209 9.087 1.00 0.00 C ATOM 929 CD1 PHE A 66 -0.382 -7.365 9.734 1.00 0.00 C ATOM 930 CD2 PHE A 66 -1.117 -5.099 9.849 1.00 0.00 C ATOM 931 CE1 PHE A 66 -0.311 -7.414 11.113 1.00 0.00 C ATOM 932 CE2 PHE A 66 -1.046 -5.142 11.228 1.00 0.00 C ATOM 933 CZ PHE A 66 -0.643 -6.302 11.860 1.00 0.00 C ATOM 0 H PHE A 66 0.780 -4.350 6.695 1.00 0.00 H new ATOM 0 HA PHE A 66 1.017 -7.192 7.441 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.237 -5.181 7.283 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.584 -6.898 7.242 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.118 -8.237 9.154 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.433 -4.190 9.359 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.004 -8.322 11.606 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.305 -4.270 11.811 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.588 -6.339 12.938 1.00 0.00 H new ATOM 943 N VAL A 67 0.815 -8.037 5.152 1.00 0.00 N ATOM 944 CA VAL A 67 0.694 -8.585 3.813 1.00 0.00 C ATOM 945 C VAL A 67 -0.245 -9.786 3.789 1.00 0.00 C ATOM 946 O VAL A 67 -0.535 -10.378 4.829 1.00 0.00 O ATOM 947 CB VAL A 67 2.074 -8.978 3.263 1.00 0.00 C ATOM 948 CG1 VAL A 67 2.650 -10.167 4.024 1.00 0.00 C ATOM 949 CG2 VAL A 67 1.994 -9.269 1.772 1.00 0.00 C ATOM 0 H VAL A 67 1.361 -8.609 5.797 1.00 0.00 H new ATOM 0 HA VAL A 67 0.269 -7.810 3.175 1.00 0.00 H new ATOM 0 HB VAL A 67 2.749 -8.135 3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.627 -10.423 3.613 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.756 -9.908 5.077 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.980 -11.021 3.926 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.981 -9.545 1.402 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.298 -10.090 1.598 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.645 -8.380 1.246 1.00 0.00 H new ATOM 959 N ARG A 68 -0.734 -10.129 2.602 1.00 0.00 N ATOM 960 CA ARG A 68 -1.672 -11.237 2.462 1.00 0.00 C ATOM 961 C ARG A 68 -1.210 -12.234 1.397 1.00 0.00 C ATOM 962 O ARG A 68 -2.001 -12.679 0.566 1.00 0.00 O ATOM 963 CB ARG A 68 -3.066 -10.699 2.118 1.00 0.00 C ATOM 964 CG ARG A 68 -4.079 -10.874 3.239 1.00 0.00 C ATOM 965 CD ARG A 68 -4.172 -9.628 4.106 1.00 0.00 C ATOM 966 NE ARG A 68 -5.454 -8.945 3.949 1.00 0.00 N ATOM 967 CZ ARG A 68 -6.567 -9.313 4.578 1.00 0.00 C ATOM 968 NH1 ARG A 68 -6.554 -10.354 5.398 1.00 0.00 N ATOM 969 NH2 ARG A 68 -7.693 -8.639 4.384 1.00 0.00 N ATOM 0 H ARG A 68 -0.498 -9.659 1.728 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.713 -11.767 3.414 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.987 -9.640 1.873 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.432 -11.207 1.226 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.058 -11.097 2.815 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.797 -11.727 3.856 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.034 -9.903 5.152 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.363 -8.945 3.846 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.498 -8.141 3.322 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.690 -10.875 5.548 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.408 -10.635 5.879 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.706 -7.838 3.752 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.546 -8.922 4.866 1.00 0.00 H new ATOM 983 N THR A 69 0.067 -12.604 1.444 1.00 0.00 N ATOM 984 CA THR A 69 0.613 -13.568 0.494 1.00 0.00 C ATOM 985 C THR A 69 1.962 -14.124 0.984 1.00 0.00 C ATOM 986 O THR A 69 1.993 -14.905 1.935 1.00 0.00 O ATOM 987 CB THR A 69 0.734 -12.931 -0.895 1.00 0.00 C ATOM 988 OG1 THR A 69 -0.527 -12.467 -1.346 1.00 0.00 O ATOM 989 CG2 THR A 69 1.278 -13.876 -1.943 1.00 0.00 C ATOM 0 H THR A 69 0.740 -12.253 2.126 1.00 0.00 H new ATOM 0 HA THR A 69 -0.073 -14.412 0.419 1.00 0.00 H new ATOM 0 HB THR A 69 1.437 -12.107 -0.774 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.237 -13.019 -0.957 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.338 -13.361 -2.902 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.272 -14.212 -1.649 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.617 -14.738 -2.035 1.00 0.00 H new ATOM 997 N ASP A 70 3.072 -13.733 0.346 1.00 0.00 N ATOM 998 CA ASP A 70 4.392 -14.216 0.744 1.00 0.00 C ATOM 999 C ASP A 70 5.477 -13.621 -0.149 1.00 0.00 C ATOM 1000 O ASP A 70 6.450 -14.292 -0.494 1.00 0.00 O ATOM 1001 CB ASP A 70 4.448 -15.744 0.676 1.00 0.00 C ATOM 1002 CG ASP A 70 5.752 -16.298 1.219 1.00 0.00 C ATOM 1003 OD1 ASP A 70 6.442 -15.570 1.962 1.00 0.00 O ATOM 1004 OD2 ASP A 70 6.081 -17.461 0.903 1.00 0.00 O ATOM 0 H ASP A 70 3.079 -13.087 -0.443 1.00 0.00 H new ATOM 0 HA ASP A 70 4.570 -13.899 1.772 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.615 -16.161 1.242 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.323 -16.064 -0.358 1.00 0.00 H new ATOM 1009 N GLU A 71 5.292 -12.363 -0.536 1.00 0.00 N ATOM 1010 CA GLU A 71 6.253 -11.671 -1.380 1.00 0.00 C ATOM 1011 C GLU A 71 7.060 -10.680 -0.555 1.00 0.00 C ATOM 1012 O GLU A 71 8.280 -10.589 -0.692 1.00 0.00 O ATOM 1013 CB GLU A 71 5.537 -10.944 -2.520 1.00 0.00 C ATOM 1014 CG GLU A 71 6.029 -11.344 -3.901 1.00 0.00 C ATOM 1015 CD GLU A 71 5.498 -10.438 -4.994 1.00 0.00 C ATOM 1016 OE1 GLU A 71 4.374 -9.918 -4.840 1.00 0.00 O ATOM 1017 OE2 GLU A 71 6.207 -10.249 -6.005 1.00 0.00 O ATOM 0 H GLU A 71 4.481 -11.802 -0.276 1.00 0.00 H new ATOM 0 HA GLU A 71 6.931 -12.409 -1.808 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.468 -11.144 -2.452 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.669 -9.869 -2.394 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.119 -11.323 -3.915 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.727 -12.371 -4.107 1.00 0.00 H new ATOM 1024 N VAL A 72 6.371 -9.951 0.314 1.00 0.00 N ATOM 1025 CA VAL A 72 7.030 -8.992 1.185 1.00 0.00 C ATOM 1026 C VAL A 72 8.102 -9.684 2.015 1.00 0.00 C ATOM 1027 O VAL A 72 9.175 -9.130 2.250 1.00 0.00 O ATOM 1028 CB VAL A 72 6.035 -8.305 2.127 1.00 0.00 C ATOM 1029 CG1 VAL A 72 5.174 -7.317 1.359 1.00 0.00 C ATOM 1030 CG2 VAL A 72 5.183 -9.339 2.835 1.00 0.00 C ATOM 0 H VAL A 72 5.359 -10.007 0.433 1.00 0.00 H new ATOM 0 HA VAL A 72 7.483 -8.234 0.547 1.00 0.00 H new ATOM 0 HB VAL A 72 6.590 -7.749 2.883 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.473 -6.838 2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.810 -6.559 0.901 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.621 -7.844 0.582 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.481 -8.838 3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.631 -9.922 2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.824 -10.002 3.416 1.00 0.00 H new ATOM 1040 N ARG A 73 7.812 -10.913 2.430 1.00 0.00 N ATOM 1041 CA ARG A 73 8.767 -11.710 3.188 1.00 0.00 C ATOM 1042 C ARG A 73 10.085 -11.795 2.430 1.00 0.00 C ATOM 1043 O ARG A 73 11.164 -11.678 3.011 1.00 0.00 O ATOM 1044 CB ARG A 73 8.206 -13.115 3.419 1.00 0.00 C ATOM 1045 CG ARG A 73 8.716 -13.776 4.688 1.00 0.00 C ATOM 1046 CD ARG A 73 10.038 -14.486 4.453 1.00 0.00 C ATOM 1047 NE ARG A 73 9.900 -15.938 4.518 1.00 0.00 N ATOM 1048 CZ ARG A 73 10.763 -16.787 3.967 1.00 0.00 C ATOM 1049 NH1 ARG A 73 11.821 -16.331 3.312 1.00 0.00 N ATOM 1050 NH2 ARG A 73 10.566 -18.095 4.071 1.00 0.00 N ATOM 0 H ARG A 73 6.922 -11.378 2.253 1.00 0.00 H new ATOM 0 HA ARG A 73 8.941 -11.235 4.153 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.118 -13.060 3.461 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.461 -13.743 2.565 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.839 -13.024 5.467 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.977 -14.491 5.049 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.433 -14.203 3.477 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.763 -14.157 5.198 1.00 0.00 H new ATOM 0 HE ARG A 73 9.096 -16.323 5.014 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.975 -15.326 3.229 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.481 -16.985 2.891 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.752 -18.450 4.574 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.228 -18.746 3.648 1.00 0.00 H new ATOM 1064 N GLN A 74 9.975 -11.984 1.121 1.00 0.00 N ATOM 1065 CA GLN A 74 11.135 -12.057 0.245 1.00 0.00 C ATOM 1066 C GLN A 74 11.750 -10.677 0.036 1.00 0.00 C ATOM 1067 O GLN A 74 12.908 -10.559 -0.364 1.00 0.00 O ATOM 1068 CB GLN A 74 10.715 -12.653 -1.100 1.00 0.00 C ATOM 1069 CG GLN A 74 9.723 -13.798 -0.968 1.00 0.00 C ATOM 1070 CD GLN A 74 9.868 -14.826 -2.072 1.00 0.00 C ATOM 1071 OE1 GLN A 74 10.308 -14.508 -3.178 1.00 0.00 O ATOM 1072 NE2 GLN A 74 9.499 -16.066 -1.777 1.00 0.00 N ATOM 0 H GLN A 74 9.082 -12.091 0.639 1.00 0.00 H new ATOM 0 HA GLN A 74 11.887 -12.693 0.711 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.274 -11.869 -1.715 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.602 -13.009 -1.625 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.862 -14.285 -0.003 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.709 -13.398 -0.980 1.00 0.00 H new ATOM 0 HE21 GLN A 74 9.140 -16.284 -0.847 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.574 -16.801 -2.480 1.00 0.00 H new ATOM 1081 N LEU A 75 10.970 -9.640 0.320 1.00 0.00 N ATOM 1082 CA LEU A 75 11.430 -8.268 0.185 1.00 0.00 C ATOM 1083 C LEU A 75 12.522 -7.957 1.203 1.00 0.00 C ATOM 1084 O LEU A 75 12.339 -7.137 2.102 1.00 0.00 O ATOM 1085 CB LEU A 75 10.256 -7.314 0.359 1.00 0.00 C ATOM 1086 CG LEU A 75 10.091 -6.299 -0.753 1.00 0.00 C ATOM 1087 CD1 LEU A 75 8.744 -5.612 -0.612 1.00 0.00 C ATOM 1088 CD2 LEU A 75 11.230 -5.296 -0.742 1.00 0.00 C ATOM 0 H LEU A 75 10.008 -9.728 0.648 1.00 0.00 H new ATOM 0 HA LEU A 75 11.853 -8.139 -0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.339 -7.899 0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.376 -6.782 1.303 1.00 0.00 H new ATOM 0 HG LEU A 75 10.123 -6.810 -1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.623 -4.881 -1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.948 -6.354 -0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.692 -5.107 0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.090 -4.577 -1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.243 -4.771 0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.176 -5.819 -0.882 1.00 0.00 H new ATOM 1100 N ARG A 76 13.656 -8.627 1.061 1.00 0.00 N ATOM 1101 CA ARG A 76 14.778 -8.432 1.965 1.00 0.00 C ATOM 1102 C ARG A 76 15.230 -6.974 1.958 1.00 0.00 C ATOM 1103 O ARG A 76 14.975 -6.240 1.003 1.00 0.00 O ATOM 1104 CB ARG A 76 15.931 -9.357 1.575 1.00 0.00 C ATOM 1105 CG ARG A 76 15.497 -10.799 1.332 1.00 0.00 C ATOM 1106 CD ARG A 76 15.939 -11.711 2.465 1.00 0.00 C ATOM 1107 NE ARG A 76 16.244 -13.060 1.993 1.00 0.00 N ATOM 1108 CZ ARG A 76 16.543 -14.073 2.802 1.00 0.00 C ATOM 1109 NH1 ARG A 76 16.576 -13.889 4.115 1.00 0.00 N ATOM 1110 NH2 ARG A 76 16.809 -15.270 2.298 1.00 0.00 N ATOM 0 H ARG A 76 13.823 -9.313 0.325 1.00 0.00 H new ATOM 0 HA ARG A 76 14.458 -8.680 2.977 1.00 0.00 H new ATOM 0 HB2 ARG A 76 16.406 -8.972 0.673 1.00 0.00 H new ATOM 0 HB3 ARG A 76 16.683 -9.340 2.364 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.413 -10.842 1.231 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.919 -11.154 0.392 1.00 0.00 H new ATOM 0 HD2 ARG A 76 16.820 -11.288 2.949 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.154 -11.759 3.219 1.00 0.00 H new ATOM 0 HE ARG A 76 16.227 -13.235 0.988 1.00 0.00 H new ATOM 0 HH11 ARG A 76 16.372 -12.969 4.506 1.00 0.00 H new ATOM 0 HH12 ARG A 76 16.805 -14.667 4.733 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.785 -15.415 1.289 1.00 0.00 H new ATOM 0 HH22 ARG A 76 17.038 -16.046 2.920 1.00 0.00 H new ATOM 1124 N ARG A 77 15.874 -6.553 3.041 1.00 0.00 N ATOM 1125 CA ARG A 77 16.336 -5.175 3.176 1.00 0.00 C ATOM 1126 C ARG A 77 17.078 -4.714 1.923 1.00 0.00 C ATOM 1127 O ARG A 77 17.837 -5.473 1.322 1.00 0.00 O ATOM 1128 CB ARG A 77 17.240 -5.047 4.407 1.00 0.00 C ATOM 1129 CG ARG A 77 17.976 -3.721 4.500 1.00 0.00 C ATOM 1130 CD ARG A 77 19.478 -3.919 4.394 1.00 0.00 C ATOM 1131 NE ARG A 77 20.153 -3.692 5.669 1.00 0.00 N ATOM 1132 CZ ARG A 77 20.263 -2.498 6.242 1.00 0.00 C ATOM 1133 NH1 ARG A 77 19.741 -1.428 5.654 1.00 0.00 N ATOM 1134 NH2 ARG A 77 20.892 -2.371 7.401 1.00 0.00 N ATOM 0 H ARG A 77 16.089 -7.148 3.841 1.00 0.00 H new ATOM 0 HA ARG A 77 15.464 -4.533 3.302 1.00 0.00 H new ATOM 0 HB2 ARG A 77 16.635 -5.178 5.304 1.00 0.00 H new ATOM 0 HB3 ARG A 77 17.971 -5.856 4.394 1.00 0.00 H new ATOM 0 HG2 ARG A 77 17.637 -3.057 3.705 1.00 0.00 H new ATOM 0 HG3 ARG A 77 17.736 -3.234 5.445 1.00 0.00 H new ATOM 0 HD2 ARG A 77 19.686 -4.932 4.049 1.00 0.00 H new ATOM 0 HD3 ARG A 77 19.881 -3.238 3.645 1.00 0.00 H new ATOM 0 HE ARG A 77 20.563 -4.495 6.146 1.00 0.00 H new ATOM 0 HH11 ARG A 77 19.255 -1.522 4.762 1.00 0.00 H new ATOM 0 HH12 ARG A 77 19.826 -0.512 6.094 1.00 0.00 H new ATOM 0 HH21 ARG A 77 21.293 -3.191 7.856 1.00 0.00 H new ATOM 0 HH22 ARG A 77 20.975 -1.453 7.838 1.00 0.00 H new ATOM 1148 N GLY A 78 16.854 -3.459 1.540 1.00 0.00 N ATOM 1149 CA GLY A 78 17.514 -2.908 0.371 1.00 0.00 C ATOM 1150 C GLY A 78 16.592 -2.803 -0.829 1.00 0.00 C ATOM 1151 O GLY A 78 17.039 -2.892 -1.972 1.00 0.00 O ATOM 0 H GLY A 78 16.226 -2.814 2.020 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.904 -1.919 0.612 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.369 -3.533 0.113 1.00 0.00 H new ATOM 1155 N ASP A 79 15.303 -2.613 -0.569 1.00 0.00 N ATOM 1156 CA ASP A 79 14.317 -2.500 -1.639 1.00 0.00 C ATOM 1157 C ASP A 79 13.280 -1.427 -1.320 1.00 0.00 C ATOM 1158 O ASP A 79 12.986 -1.160 -0.155 1.00 0.00 O ATOM 1159 CB ASP A 79 13.628 -3.845 -1.862 1.00 0.00 C ATOM 1160 CG ASP A 79 14.462 -4.784 -2.711 1.00 0.00 C ATOM 1161 OD1 ASP A 79 15.443 -4.315 -3.325 1.00 0.00 O ATOM 1162 OD2 ASP A 79 14.134 -5.988 -2.762 1.00 0.00 O ATOM 0 H ASP A 79 14.916 -2.534 0.372 1.00 0.00 H new ATOM 0 HA ASP A 79 14.838 -2.208 -2.551 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.427 -4.312 -0.898 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.664 -3.682 -2.344 1.00 0.00 H new ATOM 1167 N THR A 80 12.737 -0.807 -2.364 1.00 0.00 N ATOM 1168 CA THR A 80 11.742 0.246 -2.195 1.00 0.00 C ATOM 1169 C THR A 80 10.392 -0.166 -2.778 1.00 0.00 C ATOM 1170 O THR A 80 10.328 -0.853 -3.798 1.00 0.00 O ATOM 1171 CB THR A 80 12.221 1.537 -2.860 1.00 0.00 C ATOM 1172 OG1 THR A 80 13.636 1.619 -2.831 1.00 0.00 O ATOM 1173 CG2 THR A 80 11.673 2.788 -2.208 1.00 0.00 C ATOM 0 H THR A 80 12.969 -1.016 -3.335 1.00 0.00 H new ATOM 0 HA THR A 80 11.614 0.415 -1.126 1.00 0.00 H new ATOM 0 HB THR A 80 11.848 1.491 -3.883 1.00 0.00 H new ATOM 0 HG1 THR A 80 13.918 2.135 -2.047 1.00 0.00 H new ATOM 0 HG21 THR A 80 12.053 3.666 -2.730 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.584 2.778 -2.259 1.00 0.00 H new ATOM 0 HG23 THR A 80 11.987 2.822 -1.165 1.00 0.00 H new ATOM 1181 N LEU A 81 9.316 0.272 -2.129 1.00 0.00 N ATOM 1182 CA LEU A 81 7.962 -0.044 -2.570 1.00 0.00 C ATOM 1183 C LEU A 81 7.080 1.204 -2.498 1.00 0.00 C ATOM 1184 O LEU A 81 7.445 2.187 -1.861 1.00 0.00 O ATOM 1185 CB LEU A 81 7.359 -1.179 -1.723 1.00 0.00 C ATOM 1186 CG LEU A 81 8.141 -1.535 -0.450 1.00 0.00 C ATOM 1187 CD1 LEU A 81 7.297 -2.361 0.508 1.00 0.00 C ATOM 1188 CD2 LEU A 81 9.421 -2.268 -0.804 1.00 0.00 C ATOM 0 H LEU A 81 9.358 0.851 -1.290 1.00 0.00 H new ATOM 0 HA LEU A 81 8.008 -0.383 -3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.344 -0.899 -1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.282 -2.072 -2.344 1.00 0.00 H new ATOM 0 HG LEU A 81 8.399 -0.605 0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.881 -2.595 1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.411 -1.794 0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.993 -3.287 0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 81 9.964 -2.513 0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.178 -3.186 -1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.042 -1.632 -1.436 1.00 0.00 H new ATOM 1200 N THR A 82 5.968 1.192 -3.226 1.00 0.00 N ATOM 1201 CA THR A 82 5.045 2.330 -3.252 1.00 0.00 C ATOM 1202 C THR A 82 3.645 1.882 -2.826 1.00 0.00 C ATOM 1203 O THR A 82 3.167 0.850 -3.281 1.00 0.00 O ATOM 1204 CB THR A 82 4.992 2.911 -4.663 1.00 0.00 C ATOM 1205 OG1 THR A 82 5.202 1.896 -5.629 1.00 0.00 O ATOM 1206 CG2 THR A 82 6.019 3.989 -4.903 1.00 0.00 C ATOM 0 H THR A 82 5.680 0.406 -3.809 1.00 0.00 H new ATOM 0 HA THR A 82 5.399 3.092 -2.557 1.00 0.00 H new ATOM 0 HB THR A 82 3.999 3.350 -4.759 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.163 2.286 -6.527 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.927 4.359 -5.924 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.856 4.809 -4.204 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.018 3.579 -4.754 1.00 0.00 H new ATOM 1214 N ILE A 83 2.973 2.654 -1.972 1.00 0.00 N ATOM 1215 CA ILE A 83 1.656 2.234 -1.489 1.00 0.00 C ATOM 1216 C ILE A 83 0.625 3.368 -1.443 1.00 0.00 C ATOM 1217 O ILE A 83 0.373 3.953 -0.391 1.00 0.00 O ATOM 1218 CB ILE A 83 1.769 1.601 -0.089 1.00 0.00 C ATOM 1219 CG1 ILE A 83 0.392 1.206 0.468 1.00 0.00 C ATOM 1220 CG2 ILE A 83 2.478 2.573 0.829 1.00 0.00 C ATOM 1221 CD1 ILE A 83 0.428 0.783 1.918 1.00 0.00 C ATOM 0 H ILE A 83 3.305 3.547 -1.609 1.00 0.00 H new ATOM 0 HA ILE A 83 1.299 1.502 -2.213 1.00 0.00 H new ATOM 0 HB ILE A 83 2.348 0.680 -0.159 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.290 2.049 0.360 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.013 0.390 -0.131 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.564 2.137 1.824 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.473 2.783 0.437 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.908 3.500 0.888 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.578 0.518 2.245 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.085 -0.080 2.029 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.803 1.605 2.528 1.00 0.00 H new ATOM 1233 N GLY A 84 -0.081 3.558 -2.545 1.00 0.00 N ATOM 1234 CA GLY A 84 -1.099 4.590 -2.601 1.00 0.00 C ATOM 1235 C GLY A 84 -0.471 5.951 -2.519 1.00 0.00 C ATOM 1236 O GLY A 84 -0.395 6.679 -3.508 1.00 0.00 O ATOM 0 H GLY A 84 0.031 3.018 -3.403 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -1.666 4.500 -3.527 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -1.805 4.458 -1.781 1.00 0.00 H new ATOM 1240 N GLU A 85 0.066 6.247 -1.350 1.00 0.00 N ATOM 1241 CA GLU A 85 0.846 7.448 -1.161 1.00 0.00 C ATOM 1242 C GLU A 85 2.074 7.401 -2.063 1.00 0.00 C ATOM 1243 O GLU A 85 2.686 8.429 -2.336 1.00 0.00 O ATOM 1244 CB GLU A 85 1.269 7.588 0.300 1.00 0.00 C ATOM 1245 CG GLU A 85 0.154 8.067 1.217 1.00 0.00 C ATOM 1246 CD GLU A 85 -0.638 9.218 0.628 1.00 0.00 C ATOM 1247 OE1 GLU A 85 -0.223 10.381 0.812 1.00 0.00 O ATOM 1248 OE2 GLU A 85 -1.677 8.955 -0.016 1.00 0.00 O ATOM 0 H GLU A 85 -0.026 5.667 -0.516 1.00 0.00 H new ATOM 0 HA GLU A 85 0.237 8.313 -1.424 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.633 6.625 0.658 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.103 8.287 0.362 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.521 7.237 1.425 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.582 8.377 2.170 1.00 0.00 H new ATOM 1255 N GLU A 86 2.395 6.195 -2.560 1.00 0.00 N ATOM 1256 CA GLU A 86 3.522 5.980 -3.459 1.00 0.00 C ATOM 1257 C GLU A 86 4.815 5.806 -2.682 1.00 0.00 C ATOM 1258 O GLU A 86 5.902 6.023 -3.215 1.00 0.00 O ATOM 1259 CB GLU A 86 3.618 7.112 -4.505 1.00 0.00 C ATOM 1260 CG GLU A 86 4.553 8.274 -4.169 1.00 0.00 C ATOM 1261 CD GLU A 86 5.537 8.569 -5.284 1.00 0.00 C ATOM 1262 OE1 GLU A 86 5.185 8.341 -6.461 1.00 0.00 O ATOM 1263 OE2 GLU A 86 6.657 9.028 -4.981 1.00 0.00 O ATOM 0 H GLU A 86 1.874 5.345 -2.344 1.00 0.00 H new ATOM 0 HA GLU A 86 3.352 5.052 -4.005 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.941 6.676 -5.450 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.618 7.514 -4.665 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.960 9.166 -3.967 1.00 0.00 H new ATOM 0 HG3 GLU A 86 5.102 8.042 -3.256 1.00 0.00 H new ATOM 1270 N ASN A 87 4.700 5.482 -1.401 1.00 0.00 N ATOM 1271 CA ASN A 87 5.885 5.287 -0.596 1.00 0.00 C ATOM 1272 C ASN A 87 5.749 4.168 0.414 1.00 0.00 C ATOM 1273 O ASN A 87 4.819 4.144 1.210 1.00 0.00 O ATOM 1274 CB ASN A 87 6.262 6.567 0.137 1.00 0.00 C ATOM 1275 CG ASN A 87 7.744 6.873 0.030 1.00 0.00 C ATOM 1276 OD1 ASN A 87 8.141 7.875 -0.564 1.00 0.00 O ATOM 1277 ND2 ASN A 87 8.571 6.004 0.600 1.00 0.00 N ATOM 0 H ASN A 87 3.815 5.352 -0.910 1.00 0.00 H new ATOM 0 HA ASN A 87 6.670 5.007 -1.298 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.690 7.400 -0.272 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.986 6.477 1.188 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.579 6.154 0.555 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.198 5.186 1.082 1.00 0.00 H new ATOM 1284 N PHE A 88 6.611 3.185 0.255 1.00 0.00 N ATOM 1285 CA PHE A 88 6.806 2.121 1.216 1.00 0.00 C ATOM 1286 C PHE A 88 8.256 1.672 1.127 1.00 0.00 C ATOM 1287 O PHE A 88 8.770 1.459 0.031 1.00 0.00 O ATOM 1288 CB PHE A 88 5.854 0.954 0.973 1.00 0.00 C ATOM 1289 CG PHE A 88 4.760 0.785 2.001 1.00 0.00 C ATOM 1290 CD1 PHE A 88 4.430 1.805 2.883 1.00 0.00 C ATOM 1291 CD2 PHE A 88 4.041 -0.399 2.064 1.00 0.00 C ATOM 1292 CE1 PHE A 88 3.418 1.639 3.810 1.00 0.00 C ATOM 1293 CE2 PHE A 88 3.031 -0.570 2.990 1.00 0.00 C ATOM 1294 CZ PHE A 88 2.717 0.450 3.863 1.00 0.00 C ATOM 0 H PHE A 88 7.210 3.103 -0.567 1.00 0.00 H new ATOM 0 HA PHE A 88 6.585 2.490 2.218 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.392 1.082 -0.006 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.437 0.034 0.933 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.970 2.739 2.844 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.275 -1.200 1.378 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.175 2.439 4.493 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.487 -1.502 3.030 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.925 0.320 4.586 1.00 0.00 H new ATOM 1304 N TRP A 89 8.931 1.576 2.251 1.00 0.00 N ATOM 1305 CA TRP A 89 10.322 1.134 2.239 1.00 0.00 C ATOM 1306 C TRP A 89 10.528 0.000 3.225 1.00 0.00 C ATOM 1307 O TRP A 89 9.908 -0.031 4.289 1.00 0.00 O ATOM 1308 CB TRP A 89 11.282 2.288 2.531 1.00 0.00 C ATOM 1309 CG TRP A 89 12.563 2.215 1.756 1.00 0.00 C ATOM 1310 CD1 TRP A 89 13.457 1.184 1.740 1.00 0.00 C ATOM 1311 CD2 TRP A 89 13.093 3.221 0.885 1.00 0.00 C ATOM 1312 NE1 TRP A 89 14.510 1.486 0.912 1.00 0.00 N ATOM 1313 CE2 TRP A 89 14.310 2.731 0.374 1.00 0.00 C ATOM 1314 CE3 TRP A 89 12.657 4.488 0.486 1.00 0.00 C ATOM 1315 CZ2 TRP A 89 15.093 3.464 -0.514 1.00 0.00 C ATOM 1316 CZ3 TRP A 89 13.436 5.214 -0.394 1.00 0.00 C ATOM 1317 CH2 TRP A 89 14.642 4.700 -0.887 1.00 0.00 C ATOM 0 H TRP A 89 8.554 1.792 3.174 1.00 0.00 H new ATOM 0 HA TRP A 89 10.546 0.768 1.237 1.00 0.00 H new ATOM 0 HB2 TRP A 89 10.783 3.230 2.304 1.00 0.00 H new ATOM 0 HB3 TRP A 89 11.512 2.297 3.596 1.00 0.00 H new ATOM 0 HD1 TRP A 89 13.352 0.265 2.297 1.00 0.00 H new ATOM 0 HE1 TRP A 89 15.311 0.882 0.727 1.00 0.00 H new ATOM 0 HE3 TRP A 89 11.728 4.892 0.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 16.024 3.070 -0.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 13.110 6.195 -0.707 1.00 0.00 H new ATOM 0 HH2 TRP A 89 15.227 5.291 -1.575 1.00 0.00 H new ATOM 1328 N VAL A 90 11.381 -0.948 2.859 1.00 0.00 N ATOM 1329 CA VAL A 90 11.605 -2.108 3.698 1.00 0.00 C ATOM 1330 C VAL A 90 12.653 -1.818 4.754 1.00 0.00 C ATOM 1331 O VAL A 90 13.846 -1.714 4.469 1.00 0.00 O ATOM 1332 CB VAL A 90 12.065 -3.325 2.875 1.00 0.00 C ATOM 1333 CG1 VAL A 90 11.966 -4.597 3.703 1.00 0.00 C ATOM 1334 CG2 VAL A 90 11.251 -3.445 1.600 1.00 0.00 C ATOM 0 H VAL A 90 11.922 -0.934 1.995 1.00 0.00 H new ATOM 0 HA VAL A 90 10.652 -2.338 4.174 1.00 0.00 H new ATOM 0 HB VAL A 90 13.109 -3.180 2.598 1.00 0.00 H new ATOM 0 HG11 VAL A 90 12.295 -5.447 3.105 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.600 -4.507 4.585 1.00 0.00 H new ATOM 0 HG13 VAL A 90 10.932 -4.750 4.013 1.00 0.00 H new ATOM 0 HG21 VAL A 90 11.591 -4.311 1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 90 10.197 -3.566 1.851 1.00 0.00 H new ATOM 0 HG23 VAL A 90 11.380 -2.544 1.000 1.00 0.00 H new ATOM 1344 N ASP A 91 12.178 -1.711 5.981 1.00 0.00 N ATOM 1345 CA ASP A 91 13.028 -1.474 7.128 1.00 0.00 C ATOM 1346 C ASP A 91 13.452 -2.801 7.765 1.00 0.00 C ATOM 1347 O ASP A 91 14.272 -2.824 8.683 1.00 0.00 O ATOM 1348 CB ASP A 91 12.269 -0.620 8.140 1.00 0.00 C ATOM 1349 CG ASP A 91 13.187 0.043 9.148 1.00 0.00 C ATOM 1350 OD1 ASP A 91 14.024 -0.664 9.745 1.00 0.00 O ATOM 1351 OD2 ASP A 91 13.072 1.272 9.336 1.00 0.00 O ATOM 0 H ASP A 91 11.187 -1.787 6.209 1.00 0.00 H new ATOM 0 HA ASP A 91 13.929 -0.949 6.809 1.00 0.00 H new ATOM 0 HB2 ASP A 91 11.703 0.146 7.611 1.00 0.00 H new ATOM 0 HB3 ASP A 91 11.547 -1.244 8.667 1.00 0.00 H new ATOM 1356 N ARG A 92 12.898 -3.905 7.252 1.00 0.00 N ATOM 1357 CA ARG A 92 13.191 -5.247 7.754 1.00 0.00 C ATOM 1358 C ARG A 92 14.655 -5.413 8.144 1.00 0.00 C ATOM 1359 O ARG A 92 15.520 -4.645 7.720 1.00 0.00 O ATOM 1360 CB ARG A 92 12.819 -6.290 6.698 1.00 0.00 C ATOM 1361 CG ARG A 92 11.337 -6.618 6.677 1.00 0.00 C ATOM 1362 CD ARG A 92 11.090 -8.115 6.786 1.00 0.00 C ATOM 1363 NE ARG A 92 12.052 -8.890 6.011 1.00 0.00 N ATOM 1364 CZ ARG A 92 11.932 -9.126 4.709 1.00 0.00 C ATOM 1365 NH1 ARG A 92 10.896 -8.643 4.036 1.00 0.00 N ATOM 1366 NH2 ARG A 92 12.846 -9.849 4.078 1.00 0.00 N ATOM 0 H ARG A 92 12.234 -3.891 6.477 1.00 0.00 H new ATOM 0 HA ARG A 92 12.593 -5.394 8.653 1.00 0.00 H new ATOM 0 HB2 ARG A 92 13.118 -5.925 5.715 1.00 0.00 H new ATOM 0 HB3 ARG A 92 13.384 -7.203 6.884 1.00 0.00 H new ATOM 0 HG2 ARG A 92 10.839 -6.106 7.501 1.00 0.00 H new ATOM 0 HG3 ARG A 92 10.894 -6.242 5.754 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.143 -8.415 7.833 1.00 0.00 H new ATOM 0 HD3 ARG A 92 10.081 -8.341 6.440 1.00 0.00 H new ATOM 0 HE ARG A 92 12.863 -9.273 6.496 1.00 0.00 H new ATOM 0 HH11 ARG A 92 10.188 -8.089 4.518 1.00 0.00 H new ATOM 0 HH12 ARG A 92 10.807 -8.826 3.037 1.00 0.00 H new ATOM 0 HH21 ARG A 92 13.643 -10.225 4.592 1.00 0.00 H new ATOM 0 HH22 ARG A 92 12.753 -10.029 3.078 1.00 0.00 H new ATOM 1499 N LEU A 103 7.580 -7.424 8.612 1.00 0.00 N ATOM 1500 CA LEU A 103 7.952 -6.368 7.692 1.00 0.00 C ATOM 1501 C LEU A 103 7.870 -5.012 8.373 1.00 0.00 C ATOM 1502 O LEU A 103 6.786 -4.467 8.561 1.00 0.00 O ATOM 1503 CB LEU A 103 7.062 -6.376 6.449 1.00 0.00 C ATOM 1504 CG LEU A 103 7.780 -6.021 5.139 1.00 0.00 C ATOM 1505 CD1 LEU A 103 6.775 -5.662 4.060 1.00 0.00 C ATOM 1506 CD2 LEU A 103 8.757 -4.870 5.346 1.00 0.00 C ATOM 0 HA LEU A 103 8.981 -6.550 7.381 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.616 -7.365 6.346 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.244 -5.672 6.601 1.00 0.00 H new ATOM 0 HG LEU A 103 8.343 -6.898 4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 103 7.303 -5.413 3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.114 -6.510 3.882 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.185 -4.804 4.383 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.252 -4.639 4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.215 -3.991 5.696 1.00 0.00 H new ATOM 0 HD23 LEU A 103 9.504 -5.155 6.087 1.00 0.00 H new ATOM 1518 N TRP A 104 9.026 -4.444 8.676 1.00 0.00 N ATOM 1519 CA TRP A 104 9.095 -3.147 9.320 1.00 0.00 C ATOM 1520 C TRP A 104 9.308 -2.085 8.251 1.00 0.00 C ATOM 1521 O TRP A 104 10.144 -2.246 7.366 1.00 0.00 O ATOM 1522 CB TRP A 104 10.224 -3.155 10.354 1.00 0.00 C ATOM 1523 CG TRP A 104 10.630 -1.798 10.843 1.00 0.00 C ATOM 1524 CD1 TRP A 104 9.889 -0.652 10.815 1.00 0.00 C ATOM 1525 CD2 TRP A 104 11.888 -1.446 11.431 1.00 0.00 C ATOM 1526 NE1 TRP A 104 10.610 0.389 11.349 1.00 0.00 N ATOM 1527 CE2 TRP A 104 11.839 -0.074 11.738 1.00 0.00 C ATOM 1528 CE3 TRP A 104 13.052 -2.161 11.731 1.00 0.00 C ATOM 1529 CZ2 TRP A 104 12.908 0.598 12.325 1.00 0.00 C ATOM 1530 CZ3 TRP A 104 14.113 -1.493 12.314 1.00 0.00 C ATOM 1531 CH2 TRP A 104 14.034 -0.126 12.606 1.00 0.00 C ATOM 0 H TRP A 104 9.934 -4.866 8.484 1.00 0.00 H new ATOM 0 HA TRP A 104 8.168 -2.921 9.847 1.00 0.00 H new ATOM 0 HB2 TRP A 104 9.913 -3.757 11.208 1.00 0.00 H new ATOM 0 HB3 TRP A 104 11.095 -3.646 9.919 1.00 0.00 H new ATOM 0 HD1 TRP A 104 8.883 -0.575 10.430 1.00 0.00 H new ATOM 0 HE1 TRP A 104 10.283 1.351 11.441 1.00 0.00 H new ATOM 0 HE3 TRP A 104 13.121 -3.216 11.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 12.850 1.653 12.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 15.018 -2.035 12.548 1.00 0.00 H new ATOM 0 HH2 TRP A 104 14.880 0.367 13.063 1.00 0.00 H new ATOM 1542 N LEU A 105 8.443 -1.076 8.248 1.00 0.00 N ATOM 1543 CA LEU A 105 8.426 -0.098 7.177 1.00 0.00 C ATOM 1544 C LEU A 105 9.184 1.181 7.478 1.00 0.00 C ATOM 1545 O LEU A 105 9.335 1.598 8.626 1.00 0.00 O ATOM 1546 CB LEU A 105 6.987 0.303 6.865 1.00 0.00 C ATOM 1547 CG LEU A 105 6.074 -0.805 6.364 1.00 0.00 C ATOM 1548 CD1 LEU A 105 5.644 -1.695 7.509 1.00 0.00 C ATOM 1549 CD2 LEU A 105 4.877 -0.199 5.684 1.00 0.00 C ATOM 0 H LEU A 105 7.747 -0.918 8.977 1.00 0.00 H new ATOM 0 HA LEU A 105 8.919 -0.592 6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.547 0.728 7.767 1.00 0.00 H new ATOM 0 HB3 LEU A 105 7.007 1.095 6.116 1.00 0.00 H new ATOM 0 HG LEU A 105 6.617 -1.420 5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.991 -2.482 7.132 1.00 0.00 H new ATOM 0 HD12 LEU A 105 6.523 -2.143 7.972 1.00 0.00 H new ATOM 0 HD13 LEU A 105 5.107 -1.102 8.249 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.222 -0.993 5.325 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.334 0.427 6.392 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.206 0.409 4.841 1.00 0.00 H new ATOM 1561 N GLY A 106 9.511 1.856 6.389 1.00 0.00 N ATOM 1562 CA GLY A 106 10.068 3.185 6.421 1.00 0.00 C ATOM 1563 C GLY A 106 9.460 3.976 5.283 1.00 0.00 C ATOM 1564 O GLY A 106 9.801 3.755 4.128 1.00 0.00 O ATOM 0 H GLY A 106 9.393 1.485 5.446 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.853 3.665 7.376 1.00 0.00 H new ATOM 0 HA3 GLY A 106 11.153 3.146 6.321 1.00 0.00 H new ATOM 1568 N ARG A 107 8.454 4.787 5.574 1.00 0.00 N ATOM 1569 CA ARG A 107 7.713 5.451 4.511 1.00 0.00 C ATOM 1570 C ARG A 107 8.149 6.891 4.277 1.00 0.00 C ATOM 1571 O ARG A 107 8.682 7.557 5.164 1.00 0.00 O ATOM 1572 CB ARG A 107 6.218 5.428 4.801 1.00 0.00 C ATOM 1573 CG ARG A 107 5.415 5.204 3.548 1.00 0.00 C ATOM 1574 CD ARG A 107 3.990 4.775 3.843 1.00 0.00 C ATOM 1575 NE ARG A 107 3.093 5.919 3.978 1.00 0.00 N ATOM 1576 CZ ARG A 107 1.796 5.814 4.251 1.00 0.00 C ATOM 1577 NH1 ARG A 107 1.243 4.621 4.419 1.00 0.00 N ATOM 1578 NH2 ARG A 107 1.050 6.906 4.356 1.00 0.00 N ATOM 0 H ARG A 107 8.136 4.999 6.520 1.00 0.00 H new ATOM 0 HA ARG A 107 7.934 4.889 3.603 1.00 0.00 H new ATOM 0 HB2 ARG A 107 5.998 4.639 5.521 1.00 0.00 H new ATOM 0 HB3 ARG A 107 5.921 6.371 5.261 1.00 0.00 H new ATOM 0 HG2 ARG A 107 5.401 6.122 2.960 1.00 0.00 H new ATOM 0 HG3 ARG A 107 5.902 4.443 2.939 1.00 0.00 H new ATOM 0 HD2 ARG A 107 3.633 4.127 3.043 1.00 0.00 H new ATOM 0 HD3 ARG A 107 3.970 4.188 4.761 1.00 0.00 H new ATOM 0 HE ARG A 107 3.484 6.853 3.856 1.00 0.00 H new ATOM 0 HH11 ARG A 107 1.813 3.779 4.339 1.00 0.00 H new ATOM 0 HH12 ARG A 107 0.248 4.545 4.628 1.00 0.00 H new ATOM 0 HH21 ARG A 107 1.471 7.826 4.227 1.00 0.00 H new ATOM 0 HH22 ARG A 107 0.055 6.826 4.565 1.00 0.00 H new ATOM 1592 N GLY A 108 7.874 7.356 3.065 1.00 0.00 N ATOM 1593 CA GLY A 108 8.166 8.722 2.678 1.00 0.00 C ATOM 1594 C GLY A 108 7.132 9.249 1.696 1.00 0.00 C ATOM 1595 O GLY A 108 7.484 9.850 0.680 1.00 0.00 O ATOM 0 H GLY A 108 7.444 6.796 2.329 1.00 0.00 H new ATOM 0 HA2 GLY A 108 8.187 9.357 3.564 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.157 8.771 2.227 1.00 0.00 H new