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 -110:sc= -6.86! 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= -0.0102 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0262 K(o=-0.026,f=-1.4!) USER MOD Single : A 35 SER OG : rot 18:sc= 0.266 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot -105:sc= 0.0179 USER MOD Single : A 82 THR OG1 : rot 131:sc= -1.32 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 351 N GLY A 24 -8.065 -1.393 2.106 1.00 0.00 N ATOM 352 CA GLY A 24 -7.927 -1.297 0.665 1.00 0.00 C ATOM 353 C GLY A 24 -6.627 -0.640 0.258 1.00 0.00 C ATOM 354 O GLY A 24 -6.604 0.212 -0.630 1.00 0.00 O ATOM 0 HA2 GLY A 24 -7.980 -2.295 0.229 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.763 -0.727 0.259 1.00 0.00 H new ATOM 358 N THR A 25 -5.536 -1.055 0.891 1.00 0.00 N ATOM 359 CA THR A 25 -4.233 -0.476 0.616 1.00 0.00 C ATOM 360 C THR A 25 -3.478 -1.256 -0.454 1.00 0.00 C ATOM 361 O THR A 25 -3.359 -2.482 -0.385 1.00 0.00 O ATOM 362 CB THR A 25 -3.401 -0.444 1.888 1.00 0.00 C ATOM 363 OG1 THR A 25 -2.052 -0.201 1.581 1.00 0.00 O ATOM 364 CG2 THR A 25 -3.466 -1.736 2.676 1.00 0.00 C ATOM 0 H THR A 25 -5.531 -1.791 1.598 1.00 0.00 H new ATOM 0 HA THR A 25 -4.398 0.536 0.247 1.00 0.00 H new ATOM 0 HB THR A 25 -3.823 0.355 2.498 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.527 -1.012 1.748 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.851 -1.647 3.572 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.498 -1.936 2.963 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.095 -2.556 2.061 1.00 0.00 H new ATOM 372 N SER A 26 -2.920 -0.521 -1.410 1.00 0.00 N ATOM 373 CA SER A 26 -2.165 -1.116 -2.504 1.00 0.00 C ATOM 374 C SER A 26 -0.705 -0.701 -2.456 1.00 0.00 C ATOM 375 O SER A 26 -0.397 0.468 -2.652 1.00 0.00 O ATOM 376 CB SER A 26 -2.747 -0.653 -3.832 1.00 0.00 C ATOM 377 OG SER A 26 -4.053 -1.165 -4.031 1.00 0.00 O ATOM 0 H SER A 26 -2.978 0.497 -1.448 1.00 0.00 H new ATOM 0 HA SER A 26 -2.232 -2.199 -2.405 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.774 0.436 -3.859 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.100 -0.976 -4.647 1.00 0.00 H new ATOM 0 HG SER A 26 -4.401 -0.849 -4.891 1.00 0.00 H new ATOM 383 N ALA A 27 0.193 -1.677 -2.402 1.00 0.00 N ATOM 384 CA ALA A 27 1.622 -1.383 -2.376 1.00 0.00 C ATOM 385 C ALA A 27 2.326 -2.065 -3.531 1.00 0.00 C ATOM 386 O ALA A 27 1.908 -3.120 -3.997 1.00 0.00 O ATOM 387 CB ALA A 27 2.253 -1.808 -1.051 1.00 0.00 C ATOM 0 H ALA A 27 -0.039 -2.670 -2.376 1.00 0.00 H new ATOM 0 HA ALA A 27 1.740 -0.304 -2.477 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.318 -1.575 -1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.774 -1.272 -0.232 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.118 -2.880 -0.911 1.00 0.00 H new ATOM 393 N THR A 28 3.357 -1.410 -4.026 1.00 0.00 N ATOM 394 CA THR A 28 4.114 -1.903 -5.155 1.00 0.00 C ATOM 395 C THR A 28 5.568 -2.093 -4.754 1.00 0.00 C ATOM 396 O THR A 28 6.147 -1.248 -4.076 1.00 0.00 O ATOM 397 CB THR A 28 3.984 -0.919 -6.321 1.00 0.00 C ATOM 398 OG1 THR A 28 2.705 -1.028 -6.921 1.00 0.00 O ATOM 399 CG2 THR A 28 5.015 -1.111 -7.413 1.00 0.00 C ATOM 0 H THR A 28 3.692 -0.521 -3.655 1.00 0.00 H new ATOM 0 HA THR A 28 3.722 -2.869 -5.474 1.00 0.00 H new ATOM 0 HB THR A 28 4.143 0.063 -5.876 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.637 -0.392 -7.663 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.853 -0.375 -8.200 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.014 -0.983 -6.997 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.921 -2.114 -7.829 1.00 0.00 H new ATOM 407 N ILE A 29 6.132 -3.228 -5.128 1.00 0.00 N ATOM 408 CA ILE A 29 7.499 -3.548 -4.770 1.00 0.00 C ATOM 409 C ILE A 29 8.437 -3.384 -5.952 1.00 0.00 C ATOM 410 O ILE A 29 8.238 -3.980 -7.011 1.00 0.00 O ATOM 411 CB ILE A 29 7.608 -4.987 -4.253 1.00 0.00 C ATOM 412 CG1 ILE A 29 6.471 -5.293 -3.273 1.00 0.00 C ATOM 413 CG2 ILE A 29 8.956 -5.222 -3.601 1.00 0.00 C ATOM 414 CD1 ILE A 29 6.265 -4.223 -2.223 1.00 0.00 C ATOM 0 H ILE A 29 5.661 -3.944 -5.681 1.00 0.00 H new ATOM 0 HA ILE A 29 7.790 -2.851 -3.984 1.00 0.00 H new ATOM 0 HB ILE A 29 7.520 -5.664 -5.103 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.545 -5.422 -3.834 1.00 0.00 H new ATOM 0 HG13 ILE A 29 6.677 -6.241 -2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.012 -6.249 -3.241 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.748 -5.049 -4.330 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.079 -4.537 -2.762 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.444 -4.511 -1.567 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.176 -4.109 -1.636 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.027 -3.277 -2.709 1.00 0.00 H new ATOM 426 N THR A 30 9.473 -2.589 -5.750 1.00 0.00 N ATOM 427 CA THR A 30 10.471 -2.364 -6.780 1.00 0.00 C ATOM 428 C THR A 30 11.870 -2.576 -6.218 1.00 0.00 C ATOM 429 O THR A 30 12.434 -1.691 -5.573 1.00 0.00 O ATOM 430 CB THR A 30 10.336 -0.951 -7.346 1.00 0.00 C ATOM 431 OG1 THR A 30 11.541 -0.543 -7.972 1.00 0.00 O ATOM 432 CG2 THR A 30 9.985 0.084 -6.300 1.00 0.00 C ATOM 0 H THR A 30 9.645 -2.087 -4.879 1.00 0.00 H new ATOM 0 HA THR A 30 10.308 -3.081 -7.585 1.00 0.00 H new ATOM 0 HB THR A 30 9.518 -1.006 -8.064 1.00 0.00 H new ATOM 0 HG1 THR A 30 11.434 0.363 -8.329 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.905 1.064 -6.770 1.00 0.00 H new ATOM 0 HG22 THR A 30 9.033 -0.175 -5.837 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.764 0.110 -5.538 1.00 0.00 H new ATOM 440 N SER A 31 12.423 -3.756 -6.470 1.00 0.00 N ATOM 441 CA SER A 31 13.749 -4.096 -5.990 1.00 0.00 C ATOM 442 C SER A 31 14.690 -4.369 -7.157 1.00 0.00 C ATOM 443 O SER A 31 14.293 -4.964 -8.159 1.00 0.00 O ATOM 444 CB SER A 31 13.683 -5.318 -5.074 1.00 0.00 C ATOM 445 OG SER A 31 13.157 -6.442 -5.760 1.00 0.00 O ATOM 0 H SER A 31 11.968 -4.494 -7.007 1.00 0.00 H new ATOM 0 HA SER A 31 14.136 -3.249 -5.424 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.680 -5.550 -4.700 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.062 -5.093 -4.207 1.00 0.00 H new ATOM 0 HG SER A 31 13.127 -7.211 -5.153 1.00 0.00 H new ATOM 451 N GLY A 32 15.944 -3.947 -7.019 1.00 0.00 N ATOM 452 CA GLY A 32 16.922 -4.160 -8.074 1.00 0.00 C ATOM 453 C GLY A 32 16.852 -5.554 -8.670 1.00 0.00 C ATOM 454 O GLY A 32 17.130 -5.748 -9.853 1.00 0.00 O ATOM 0 H GLY A 32 16.301 -3.461 -6.196 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.764 -3.425 -8.863 1.00 0.00 H new ATOM 0 HA3 GLY A 32 17.922 -3.990 -7.675 1.00 0.00 H new ATOM 458 N GLU A 33 16.446 -6.521 -7.852 1.00 0.00 N ATOM 459 CA GLU A 33 16.338 -7.900 -8.290 1.00 0.00 C ATOM 460 C GLU A 33 15.149 -8.102 -9.221 1.00 0.00 C ATOM 461 O GLU A 33 15.312 -8.235 -10.435 1.00 0.00 O ATOM 462 CB GLU A 33 16.211 -8.809 -7.084 1.00 0.00 C ATOM 463 CG GLU A 33 17.279 -9.879 -7.028 1.00 0.00 C ATOM 464 CD GLU A 33 17.306 -10.614 -5.702 1.00 0.00 C ATOM 465 OE1 GLU A 33 17.695 -9.996 -4.689 1.00 0.00 O ATOM 466 OE2 GLU A 33 16.939 -11.808 -5.677 1.00 0.00 O ATOM 0 H GLU A 33 16.186 -6.369 -6.878 1.00 0.00 H new ATOM 0 HA GLU A 33 17.241 -8.149 -8.847 1.00 0.00 H new ATOM 0 HB2 GLU A 33 16.261 -8.207 -6.177 1.00 0.00 H new ATOM 0 HB3 GLU A 33 15.230 -9.284 -7.097 1.00 0.00 H new ATOM 0 HG2 GLU A 33 17.111 -10.596 -7.832 1.00 0.00 H new ATOM 0 HG3 GLU A 33 18.253 -9.423 -7.205 1.00 0.00 H new ATOM 473 N GLN A 34 13.955 -8.134 -8.642 1.00 0.00 N ATOM 474 CA GLN A 34 12.737 -8.346 -9.414 1.00 0.00 C ATOM 475 C GLN A 34 11.709 -7.249 -9.152 1.00 0.00 C ATOM 476 O GLN A 34 10.627 -7.513 -8.629 1.00 0.00 O ATOM 477 CB GLN A 34 12.133 -9.711 -9.074 1.00 0.00 C ATOM 478 CG GLN A 34 10.930 -10.071 -9.929 1.00 0.00 C ATOM 479 CD GLN A 34 10.154 -11.251 -9.378 1.00 0.00 C ATOM 480 OE1 GLN A 34 10.330 -11.641 -8.223 1.00 0.00 O ATOM 481 NE2 GLN A 34 9.289 -11.829 -10.203 1.00 0.00 N ATOM 0 H GLN A 34 13.804 -8.016 -7.640 1.00 0.00 H new ATOM 0 HA GLN A 34 13.003 -8.315 -10.471 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.898 -10.478 -9.195 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.838 -9.718 -8.025 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.269 -9.208 -10.000 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.264 -10.301 -10.941 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.174 -11.474 -11.152 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.739 -12.628 -9.887 1.00 0.00 H new ATOM 490 N SER A 35 12.045 -6.022 -9.538 1.00 0.00 N ATOM 491 CA SER A 35 11.136 -4.894 -9.366 1.00 0.00 C ATOM 492 C SER A 35 10.045 -4.915 -10.430 1.00 0.00 C ATOM 493 O SER A 35 10.331 -4.998 -11.624 1.00 0.00 O ATOM 494 CB SER A 35 11.906 -3.572 -9.446 1.00 0.00 C ATOM 495 OG SER A 35 12.456 -3.380 -10.737 1.00 0.00 O ATOM 0 H SER A 35 12.937 -5.784 -9.971 1.00 0.00 H new ATOM 0 HA SER A 35 10.672 -4.980 -8.383 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.239 -2.744 -9.204 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.703 -3.566 -8.703 1.00 0.00 H new ATOM 0 HG SER A 35 12.005 -3.970 -11.376 1.00 0.00 H new ATOM 501 N GLY A 36 8.794 -4.841 -9.991 1.00 0.00 N ATOM 502 CA GLY A 36 7.682 -4.856 -10.922 1.00 0.00 C ATOM 503 C GLY A 36 6.557 -5.762 -10.463 1.00 0.00 C ATOM 504 O GLY A 36 6.061 -6.585 -11.231 1.00 0.00 O ATOM 0 H GLY A 36 8.530 -4.771 -9.008 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.301 -3.842 -11.045 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.034 -5.185 -11.900 1.00 0.00 H new ATOM 508 N ALA A 37 6.156 -5.610 -9.205 1.00 0.00 N ATOM 509 CA ALA A 37 5.084 -6.422 -8.644 1.00 0.00 C ATOM 510 C ALA A 37 4.273 -5.632 -7.623 1.00 0.00 C ATOM 511 O ALA A 37 4.831 -4.988 -6.736 1.00 0.00 O ATOM 512 CB ALA A 37 5.653 -7.682 -8.009 1.00 0.00 C ATOM 0 H ALA A 37 6.557 -4.933 -8.556 1.00 0.00 H new ATOM 0 HA ALA A 37 4.416 -6.708 -9.456 1.00 0.00 H new ATOM 0 HB1 ALA A 37 4.841 -8.279 -7.594 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.181 -8.263 -8.765 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.345 -7.408 -7.213 1.00 0.00 H new ATOM 518 N VAL A 38 2.952 -5.699 -7.749 1.00 0.00 N ATOM 519 CA VAL A 38 2.060 -4.989 -6.843 1.00 0.00 C ATOM 520 C VAL A 38 1.508 -5.923 -5.769 1.00 0.00 C ATOM 521 O VAL A 38 0.900 -6.948 -6.074 1.00 0.00 O ATOM 522 CB VAL A 38 0.885 -4.345 -7.600 1.00 0.00 C ATOM 523 CG1 VAL A 38 0.020 -5.414 -8.253 1.00 0.00 C ATOM 524 CG2 VAL A 38 0.059 -3.475 -6.666 1.00 0.00 C ATOM 0 H VAL A 38 2.476 -6.239 -8.471 1.00 0.00 H new ATOM 0 HA VAL A 38 2.651 -4.204 -6.370 1.00 0.00 H new ATOM 0 HB VAL A 38 1.289 -3.708 -8.387 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.806 -4.940 -8.784 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.622 -5.989 -8.957 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.376 -6.080 -7.486 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.767 -3.029 -7.220 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.337 -4.086 -5.855 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.687 -2.686 -6.253 1.00 0.00 H new ATOM 534 N ILE A 39 1.732 -5.558 -4.511 1.00 0.00 N ATOM 535 CA ILE A 39 1.268 -6.354 -3.383 1.00 0.00 C ATOM 536 C ILE A 39 0.304 -5.566 -2.507 1.00 0.00 C ATOM 537 O ILE A 39 0.320 -4.335 -2.500 1.00 0.00 O ATOM 538 CB ILE A 39 2.442 -6.822 -2.507 1.00 0.00 C ATOM 539 CG1 ILE A 39 3.186 -5.623 -1.924 1.00 0.00 C ATOM 540 CG2 ILE A 39 3.387 -7.706 -3.306 1.00 0.00 C ATOM 541 CD1 ILE A 39 2.792 -5.321 -0.498 1.00 0.00 C ATOM 0 H ILE A 39 2.235 -4.711 -4.247 1.00 0.00 H new ATOM 0 HA ILE A 39 0.757 -7.219 -3.805 1.00 0.00 H new ATOM 0 HB ILE A 39 2.042 -7.411 -1.681 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.259 -5.812 -1.967 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.992 -4.746 -2.542 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.211 -8.027 -2.669 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.847 -8.581 -3.669 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.781 -7.145 -4.153 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.355 -4.459 -0.140 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.725 -5.102 -0.454 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.011 -6.184 0.131 1.00 0.00 H new ATOM 553 N ARG A 40 -0.515 -6.284 -1.746 1.00 0.00 N ATOM 554 CA ARG A 40 -1.446 -5.648 -0.825 1.00 0.00 C ATOM 555 C ARG A 40 -0.886 -5.681 0.590 1.00 0.00 C ATOM 556 O ARG A 40 -0.140 -6.590 0.955 1.00 0.00 O ATOM 557 CB ARG A 40 -2.814 -6.332 -0.859 1.00 0.00 C ATOM 558 CG ARG A 40 -3.767 -5.837 0.224 1.00 0.00 C ATOM 559 CD ARG A 40 -5.214 -5.897 -0.237 1.00 0.00 C ATOM 560 NE ARG A 40 -5.649 -7.265 -0.501 1.00 0.00 N ATOM 561 CZ ARG A 40 -6.924 -7.629 -0.584 1.00 0.00 C ATOM 562 NH1 ARG A 40 -7.885 -6.730 -0.424 1.00 0.00 N ATOM 563 NH2 ARG A 40 -7.240 -8.894 -0.828 1.00 0.00 N ATOM 0 H ARG A 40 -0.552 -7.303 -1.749 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.575 -4.612 -1.139 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.269 -6.168 -1.836 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.677 -7.408 -0.748 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.645 -6.443 1.122 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.512 -4.812 0.494 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.855 -5.454 0.525 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.331 -5.299 -1.141 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.934 -7.981 -0.629 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.646 -5.756 -0.237 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.863 -7.012 -0.488 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.504 -9.589 -0.952 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.219 -9.172 -0.891 1.00 0.00 H new ATOM 577 N GLY A 41 -1.243 -4.680 1.376 1.00 0.00 N ATOM 578 CA GLY A 41 -0.755 -4.599 2.737 1.00 0.00 C ATOM 579 C GLY A 41 -0.548 -3.168 3.162 1.00 0.00 C ATOM 580 O GLY A 41 -0.281 -2.309 2.327 1.00 0.00 O ATOM 0 H GLY A 41 -1.863 -3.920 1.097 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.465 -5.081 3.409 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.185 -5.145 2.821 1.00 0.00 H new ATOM 584 N VAL A 42 -0.697 -2.890 4.449 1.00 0.00 N ATOM 585 CA VAL A 42 -0.582 -1.521 4.922 1.00 0.00 C ATOM 586 C VAL A 42 0.530 -1.352 5.958 1.00 0.00 C ATOM 587 O VAL A 42 1.197 -2.309 6.354 1.00 0.00 O ATOM 588 CB VAL A 42 -1.959 -1.003 5.452 1.00 0.00 C ATOM 589 CG1 VAL A 42 -1.948 -0.636 6.938 1.00 0.00 C ATOM 590 CG2 VAL A 42 -2.420 0.180 4.615 1.00 0.00 C ATOM 0 H VAL A 42 -0.894 -3.582 5.172 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.295 -0.904 4.070 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.663 -1.829 5.354 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.937 -0.285 7.233 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.683 -1.514 7.528 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.216 0.153 7.113 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.380 0.538 4.988 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.684 0.981 4.681 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.527 -0.130 3.575 1.00 0.00 H new ATOM 600 N PHE A 43 0.693 -0.109 6.384 1.00 0.00 N ATOM 601 CA PHE A 43 1.696 0.271 7.361 1.00 0.00 C ATOM 602 C PHE A 43 1.116 0.254 8.772 1.00 0.00 C ATOM 603 O PHE A 43 0.006 0.732 9.001 1.00 0.00 O ATOM 604 CB PHE A 43 2.184 1.671 7.008 1.00 0.00 C ATOM 605 CG PHE A 43 3.120 2.291 8.006 1.00 0.00 C ATOM 606 CD1 PHE A 43 2.629 2.882 9.159 1.00 0.00 C ATOM 607 CD2 PHE A 43 4.481 2.343 7.758 1.00 0.00 C ATOM 608 CE1 PHE A 43 3.484 3.478 10.064 1.00 0.00 C ATOM 609 CE2 PHE A 43 5.341 2.938 8.660 1.00 0.00 C ATOM 610 CZ PHE A 43 4.841 3.512 9.812 1.00 0.00 C ATOM 0 H PHE A 43 0.125 0.672 6.056 1.00 0.00 H new ATOM 0 HA PHE A 43 2.523 -0.439 7.339 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.684 1.631 6.040 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.318 2.322 6.892 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.566 2.876 9.352 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.875 1.913 6.849 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.092 3.918 10.969 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.403 2.954 8.465 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.510 3.987 10.514 1.00 0.00 H new ATOM 893 N SER A 64 5.579 -1.947 11.416 1.00 0.00 N ATOM 894 CA SER A 64 5.549 -3.131 10.563 1.00 0.00 C ATOM 895 C SER A 64 4.401 -3.051 9.563 1.00 0.00 C ATOM 896 O SER A 64 3.497 -2.228 9.702 1.00 0.00 O ATOM 897 CB SER A 64 5.463 -4.406 11.412 1.00 0.00 C ATOM 898 OG SER A 64 4.280 -5.145 11.147 1.00 0.00 O ATOM 0 HA SER A 64 6.478 -3.169 9.995 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.333 -5.032 11.214 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.495 -4.140 12.469 1.00 0.00 H new ATOM 0 HG SER A 64 4.265 -5.949 11.707 1.00 0.00 H new ATOM 904 N LEU A 65 4.463 -3.895 8.539 1.00 0.00 N ATOM 905 CA LEU A 65 3.466 -3.891 7.475 1.00 0.00 C ATOM 906 C LEU A 65 2.675 -5.200 7.491 1.00 0.00 C ATOM 907 O LEU A 65 3.235 -6.272 7.719 1.00 0.00 O ATOM 908 CB LEU A 65 4.150 -3.693 6.105 1.00 0.00 C ATOM 909 CG LEU A 65 3.447 -4.335 4.896 1.00 0.00 C ATOM 910 CD1 LEU A 65 3.882 -3.664 3.600 1.00 0.00 C ATOM 911 CD2 LEU A 65 3.724 -5.829 4.845 1.00 0.00 C ATOM 0 H LEU A 65 5.197 -4.594 8.423 1.00 0.00 H new ATOM 0 HA LEU A 65 2.776 -3.064 7.642 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.242 -2.623 5.919 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.162 -4.094 6.166 1.00 0.00 H new ATOM 0 HG LEU A 65 2.373 -4.190 5.011 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.373 -4.134 2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.625 -2.605 3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.960 -3.772 3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.218 -6.264 3.983 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.797 -5.997 4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.355 -6.299 5.757 1.00 0.00 H new ATOM 923 N PHE A 66 1.371 -5.099 7.270 1.00 0.00 N ATOM 924 CA PHE A 66 0.515 -6.275 7.213 1.00 0.00 C ATOM 925 C PHE A 66 0.318 -6.694 5.765 1.00 0.00 C ATOM 926 O PHE A 66 -0.290 -5.969 4.981 1.00 0.00 O ATOM 927 CB PHE A 66 -0.837 -5.984 7.868 1.00 0.00 C ATOM 928 CG PHE A 66 -0.810 -6.062 9.368 1.00 0.00 C ATOM 929 CD1 PHE A 66 0.152 -5.376 10.094 1.00 0.00 C ATOM 930 CD2 PHE A 66 -1.748 -6.818 10.052 1.00 0.00 C ATOM 931 CE1 PHE A 66 0.177 -5.446 11.474 1.00 0.00 C ATOM 932 CE2 PHE A 66 -1.726 -6.892 11.433 1.00 0.00 C ATOM 933 CZ PHE A 66 -0.763 -6.204 12.145 1.00 0.00 C ATOM 0 H PHE A 66 0.883 -4.214 7.127 1.00 0.00 H new ATOM 0 HA PHE A 66 0.993 -7.088 7.759 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.168 -4.989 7.571 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.574 -6.692 7.489 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.889 -4.781 9.576 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.505 -7.356 9.501 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.932 -4.908 12.028 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.461 -7.487 11.954 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.745 -6.258 13.223 1.00 0.00 H new ATOM 943 N VAL A 67 0.858 -7.851 5.405 1.00 0.00 N ATOM 944 CA VAL A 67 0.786 -8.326 4.030 1.00 0.00 C ATOM 945 C VAL A 67 -0.148 -9.524 3.895 1.00 0.00 C ATOM 946 O VAL A 67 -0.507 -10.161 4.886 1.00 0.00 O ATOM 947 CB VAL A 67 2.186 -8.699 3.510 1.00 0.00 C ATOM 948 CG1 VAL A 67 2.730 -9.909 4.255 1.00 0.00 C ATOM 949 CG2 VAL A 67 2.155 -8.951 2.010 1.00 0.00 C ATOM 0 H VAL A 67 1.349 -8.476 6.044 1.00 0.00 H new ATOM 0 HA VAL A 67 0.384 -7.511 3.429 1.00 0.00 H new ATOM 0 HB VAL A 67 2.855 -7.859 3.695 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.720 -10.157 3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.798 -9.681 5.319 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.062 -10.757 4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.155 -9.213 1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.470 -9.770 1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.818 -8.050 1.497 1.00 0.00 H new ATOM 959 N ARG A 68 -0.549 -9.814 2.661 1.00 0.00 N ATOM 960 CA ARG A 68 -1.477 -10.908 2.395 1.00 0.00 C ATOM 961 C ARG A 68 -0.753 -12.208 2.069 1.00 0.00 C ATOM 962 O ARG A 68 -0.909 -13.205 2.774 1.00 0.00 O ATOM 963 CB ARG A 68 -2.412 -10.532 1.243 1.00 0.00 C ATOM 964 CG ARG A 68 -3.876 -10.461 1.646 1.00 0.00 C ATOM 965 CD ARG A 68 -4.101 -9.440 2.749 1.00 0.00 C ATOM 966 NE ARG A 68 -5.429 -9.559 3.344 1.00 0.00 N ATOM 967 CZ ARG A 68 -5.935 -8.673 4.196 1.00 0.00 C ATOM 968 NH1 ARG A 68 -5.226 -7.609 4.549 1.00 0.00 N ATOM 969 NH2 ARG A 68 -7.150 -8.851 4.696 1.00 0.00 N ATOM 0 H ARG A 68 -0.246 -9.307 1.830 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.057 -11.073 3.303 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.108 -9.566 0.839 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.299 -11.262 0.442 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.481 -10.200 0.778 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.210 -11.442 1.983 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.344 -9.570 3.523 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.974 -8.436 2.345 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.000 -10.366 3.092 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.291 -7.470 4.167 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.616 -6.930 5.203 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.697 -9.668 4.427 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.537 -8.170 5.350 1.00 0.00 H new ATOM 983 N THR A 69 0.011 -12.212 0.983 1.00 0.00 N ATOM 984 CA THR A 69 0.702 -13.419 0.553 1.00 0.00 C ATOM 985 C THR A 69 2.062 -13.570 1.259 1.00 0.00 C ATOM 986 O THR A 69 2.104 -13.846 2.458 1.00 0.00 O ATOM 987 CB THR A 69 0.847 -13.427 -0.972 1.00 0.00 C ATOM 988 OG1 THR A 69 -0.419 -13.299 -1.596 1.00 0.00 O ATOM 989 CG2 THR A 69 1.498 -14.685 -1.506 1.00 0.00 C ATOM 0 H THR A 69 0.166 -11.398 0.388 1.00 0.00 H new ATOM 0 HA THR A 69 0.103 -14.283 0.841 1.00 0.00 H new ATOM 0 HB THR A 69 1.490 -12.579 -1.205 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.306 -13.304 -2.569 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.570 -14.625 -2.592 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.497 -14.786 -1.081 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.897 -15.551 -1.230 1.00 0.00 H new ATOM 997 N ASP A 70 3.171 -13.412 0.527 1.00 0.00 N ATOM 998 CA ASP A 70 4.497 -13.563 1.122 1.00 0.00 C ATOM 999 C ASP A 70 5.585 -12.984 0.221 1.00 0.00 C ATOM 1000 O ASP A 70 6.743 -13.396 0.293 1.00 0.00 O ATOM 1001 CB ASP A 70 4.784 -15.040 1.393 1.00 0.00 C ATOM 1002 CG ASP A 70 6.050 -15.242 2.203 1.00 0.00 C ATOM 1003 OD1 ASP A 70 6.000 -15.068 3.438 1.00 0.00 O ATOM 1004 OD2 ASP A 70 7.093 -15.576 1.600 1.00 0.00 O ATOM 0 H ASP A 70 3.174 -13.182 -0.467 1.00 0.00 H new ATOM 0 HA ASP A 70 4.505 -13.009 2.061 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.941 -15.480 1.926 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.874 -15.570 0.445 1.00 0.00 H new ATOM 1009 N GLU A 71 5.214 -12.032 -0.629 1.00 0.00 N ATOM 1010 CA GLU A 71 6.170 -11.386 -1.513 1.00 0.00 C ATOM 1011 C GLU A 71 7.042 -10.433 -0.717 1.00 0.00 C ATOM 1012 O GLU A 71 8.238 -10.293 -0.978 1.00 0.00 O ATOM 1013 CB GLU A 71 5.445 -10.630 -2.629 1.00 0.00 C ATOM 1014 CG GLU A 71 6.056 -10.840 -4.005 1.00 0.00 C ATOM 1015 CD GLU A 71 5.261 -10.164 -5.105 1.00 0.00 C ATOM 1016 OE1 GLU A 71 5.369 -8.927 -5.241 1.00 0.00 O ATOM 1017 OE2 GLU A 71 4.531 -10.871 -5.831 1.00 0.00 O ATOM 0 H GLU A 71 4.257 -11.692 -0.722 1.00 0.00 H new ATOM 0 HA GLU A 71 6.799 -12.151 -1.969 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.402 -10.946 -2.652 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.450 -9.565 -2.397 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.075 -10.454 -4.009 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.119 -11.908 -4.211 1.00 0.00 H new ATOM 1024 N VAL A 72 6.436 -9.802 0.280 1.00 0.00 N ATOM 1025 CA VAL A 72 7.152 -8.888 1.152 1.00 0.00 C ATOM 1026 C VAL A 72 8.238 -9.625 1.923 1.00 0.00 C ATOM 1027 O VAL A 72 9.342 -9.111 2.106 1.00 0.00 O ATOM 1028 CB VAL A 72 6.210 -8.212 2.153 1.00 0.00 C ATOM 1029 CG1 VAL A 72 5.281 -7.241 1.439 1.00 0.00 C ATOM 1030 CG2 VAL A 72 5.426 -9.257 2.926 1.00 0.00 C ATOM 0 H VAL A 72 5.446 -9.909 0.503 1.00 0.00 H new ATOM 0 HA VAL A 72 7.600 -8.124 0.516 1.00 0.00 H new ATOM 0 HB VAL A 72 6.805 -7.641 2.866 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.619 -6.770 2.166 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.872 -6.475 0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.686 -7.781 0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.761 -8.763 3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.837 -9.857 2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.117 -9.903 3.468 1.00 0.00 H new ATOM 1040 N ARG A 73 7.924 -10.843 2.353 1.00 0.00 N ATOM 1041 CA ARG A 73 8.886 -11.674 3.066 1.00 0.00 C ATOM 1042 C ARG A 73 10.186 -11.762 2.278 1.00 0.00 C ATOM 1043 O ARG A 73 11.275 -11.837 2.847 1.00 0.00 O ATOM 1044 CB ARG A 73 8.310 -13.075 3.279 1.00 0.00 C ATOM 1045 CG ARG A 73 8.862 -13.783 4.502 1.00 0.00 C ATOM 1046 CD ARG A 73 10.207 -14.429 4.211 1.00 0.00 C ATOM 1047 NE ARG A 73 11.070 -14.450 5.388 1.00 0.00 N ATOM 1048 CZ ARG A 73 12.238 -15.084 5.434 1.00 0.00 C ATOM 1049 NH1 ARG A 73 12.678 -15.745 4.372 1.00 0.00 N ATOM 1050 NH2 ARG A 73 12.966 -15.058 6.541 1.00 0.00 N ATOM 0 H ARG A 73 7.010 -11.276 2.220 1.00 0.00 H new ATOM 0 HA ARG A 73 9.091 -11.222 4.037 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.226 -13.002 3.371 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.515 -13.681 2.396 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.969 -13.070 5.319 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.155 -14.544 4.833 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.051 -15.448 3.858 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.704 -13.886 3.407 1.00 0.00 H new ATOM 0 HE ARG A 73 10.760 -13.951 6.222 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.120 -15.768 3.518 1.00 0.00 H new ATOM 0 HH12 ARG A 73 13.574 -16.231 4.409 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.631 -14.551 7.360 1.00 0.00 H new ATOM 0 HH22 ARG A 73 13.862 -15.545 6.574 1.00 0.00 H new ATOM 1064 N GLN A 74 10.050 -11.735 0.958 1.00 0.00 N ATOM 1065 CA GLN A 74 11.193 -11.786 0.056 1.00 0.00 C ATOM 1066 C GLN A 74 11.816 -10.406 -0.100 1.00 0.00 C ATOM 1067 O GLN A 74 12.995 -10.283 -0.432 1.00 0.00 O ATOM 1068 CB GLN A 74 10.751 -12.320 -1.311 1.00 0.00 C ATOM 1069 CG GLN A 74 9.649 -13.366 -1.230 1.00 0.00 C ATOM 1070 CD GLN A 74 9.679 -14.336 -2.395 1.00 0.00 C ATOM 1071 OE1 GLN A 74 9.392 -13.966 -3.534 1.00 0.00 O ATOM 1072 NE2 GLN A 74 10.033 -15.586 -2.117 1.00 0.00 N ATOM 0 H GLN A 74 9.148 -11.677 0.485 1.00 0.00 H new ATOM 0 HA GLN A 74 11.942 -12.455 0.479 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.405 -11.487 -1.922 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.613 -12.752 -1.819 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.748 -13.921 -0.297 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.680 -12.867 -1.203 1.00 0.00 H new ATOM 0 HE21 GLN A 74 10.263 -15.850 -1.159 1.00 0.00 H new ATOM 0 HE22 GLN A 74 10.075 -16.282 -2.862 1.00 0.00 H new ATOM 1081 N LEU A 75 11.016 -9.374 0.149 1.00 0.00 N ATOM 1082 CA LEU A 75 11.483 -7.999 0.062 1.00 0.00 C ATOM 1083 C LEU A 75 12.574 -7.736 1.091 1.00 0.00 C ATOM 1084 O LEU A 75 12.340 -7.102 2.119 1.00 0.00 O ATOM 1085 CB LEU A 75 10.321 -7.037 0.269 1.00 0.00 C ATOM 1086 CG LEU A 75 10.163 -5.997 -0.823 1.00 0.00 C ATOM 1087 CD1 LEU A 75 8.823 -5.297 -0.677 1.00 0.00 C ATOM 1088 CD2 LEU A 75 11.312 -5.006 -0.791 1.00 0.00 C ATOM 0 H LEU A 75 10.036 -9.468 0.414 1.00 0.00 H new ATOM 0 HA LEU A 75 11.902 -7.839 -0.931 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.398 -7.612 0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.454 -6.527 1.223 1.00 0.00 H new ATOM 0 HG LEU A 75 10.187 -6.493 -1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.715 -4.551 -1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.019 -6.029 -0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.772 -4.808 0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.179 -4.269 -1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.331 -4.502 0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.253 -5.535 -0.942 1.00 0.00 H new ATOM 1100 N ARG A 76 13.763 -8.246 0.813 1.00 0.00 N ATOM 1101 CA ARG A 76 14.890 -8.091 1.714 1.00 0.00 C ATOM 1102 C ARG A 76 15.390 -6.648 1.716 1.00 0.00 C ATOM 1103 O ARG A 76 15.186 -5.908 0.753 1.00 0.00 O ATOM 1104 CB ARG A 76 16.011 -9.047 1.310 1.00 0.00 C ATOM 1105 CG ARG A 76 15.545 -10.484 1.106 1.00 0.00 C ATOM 1106 CD ARG A 76 16.156 -11.411 2.143 1.00 0.00 C ATOM 1107 NE ARG A 76 16.343 -12.764 1.623 1.00 0.00 N ATOM 1108 CZ ARG A 76 17.283 -13.606 2.051 1.00 0.00 C ATOM 1109 NH1 ARG A 76 18.125 -13.246 3.011 1.00 0.00 N ATOM 1110 NH2 ARG A 76 17.379 -14.817 1.518 1.00 0.00 N ATOM 0 H ARG A 76 13.972 -8.773 -0.035 1.00 0.00 H new ATOM 0 HA ARG A 76 14.564 -8.334 2.725 1.00 0.00 H new ATOM 0 HB2 ARG A 76 16.468 -8.688 0.388 1.00 0.00 H new ATOM 0 HB3 ARG A 76 16.785 -9.031 2.077 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.458 -10.529 1.169 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.820 -10.820 0.106 1.00 0.00 H new ATOM 0 HD2 ARG A 76 17.117 -11.011 2.466 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.513 -11.446 3.022 1.00 0.00 H new ATOM 0 HE ARG A 76 15.714 -13.084 0.886 1.00 0.00 H new ATOM 0 HH11 ARG A 76 18.056 -12.318 3.428 1.00 0.00 H new ATOM 0 HH12 ARG A 76 18.841 -13.898 3.332 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.734 -15.103 0.781 1.00 0.00 H new ATOM 0 HH22 ARG A 76 18.098 -15.462 1.845 1.00 0.00 H new ATOM 1124 N ARG A 77 16.035 -6.251 2.811 1.00 0.00 N ATOM 1125 CA ARG A 77 16.543 -4.888 2.963 1.00 0.00 C ATOM 1126 C ARG A 77 17.188 -4.373 1.677 1.00 0.00 C ATOM 1127 O ARG A 77 17.751 -5.142 0.900 1.00 0.00 O ATOM 1128 CB ARG A 77 17.556 -4.830 4.108 1.00 0.00 C ATOM 1129 CG ARG A 77 17.615 -3.479 4.802 1.00 0.00 C ATOM 1130 CD ARG A 77 17.806 -3.629 6.302 1.00 0.00 C ATOM 1131 NE ARG A 77 19.102 -3.121 6.742 1.00 0.00 N ATOM 1132 CZ ARG A 77 19.373 -1.829 6.894 1.00 0.00 C ATOM 1133 NH1 ARG A 77 18.440 -0.921 6.643 1.00 0.00 N ATOM 1134 NH2 ARG A 77 20.576 -1.444 7.297 1.00 0.00 N ATOM 0 H ARG A 77 16.219 -6.857 3.610 1.00 0.00 H new ATOM 0 HA ARG A 77 15.693 -4.245 3.190 1.00 0.00 H new ATOM 0 HB2 ARG A 77 17.305 -5.595 4.842 1.00 0.00 H new ATOM 0 HB3 ARG A 77 18.545 -5.073 3.719 1.00 0.00 H new ATOM 0 HG2 ARG A 77 18.434 -2.892 4.387 1.00 0.00 H new ATOM 0 HG3 ARG A 77 16.696 -2.928 4.605 1.00 0.00 H new ATOM 0 HD2 ARG A 77 17.011 -3.096 6.824 1.00 0.00 H new ATOM 0 HD3 ARG A 77 17.717 -4.680 6.575 1.00 0.00 H new ATOM 0 HE ARG A 77 19.840 -3.795 6.944 1.00 0.00 H new ATOM 0 HH11 ARG A 77 17.513 -1.214 6.333 1.00 0.00 H new ATOM 0 HH12 ARG A 77 18.649 0.071 6.760 1.00 0.00 H new ATOM 0 HH21 ARG A 77 21.296 -2.140 7.491 1.00 0.00 H new ATOM 0 HH22 ARG A 77 20.782 -0.452 7.413 1.00 0.00 H new ATOM 1148 N GLY A 78 17.102 -3.061 1.465 1.00 0.00 N ATOM 1149 CA GLY A 78 17.684 -2.456 0.281 1.00 0.00 C ATOM 1150 C GLY A 78 16.727 -2.436 -0.896 1.00 0.00 C ATOM 1151 O GLY A 78 17.141 -2.596 -2.044 1.00 0.00 O ATOM 0 H GLY A 78 16.638 -2.406 2.095 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.990 -1.436 0.512 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.584 -3.004 0.003 1.00 0.00 H new ATOM 1155 N ASP A 79 15.443 -2.244 -0.610 1.00 0.00 N ATOM 1156 CA ASP A 79 14.424 -2.217 -1.654 1.00 0.00 C ATOM 1157 C ASP A 79 13.375 -1.142 -1.377 1.00 0.00 C ATOM 1158 O ASP A 79 13.111 -0.802 -0.225 1.00 0.00 O ATOM 1159 CB ASP A 79 13.754 -3.584 -1.764 1.00 0.00 C ATOM 1160 CG ASP A 79 14.653 -4.621 -2.408 1.00 0.00 C ATOM 1161 OD1 ASP A 79 15.629 -4.225 -3.081 1.00 0.00 O ATOM 1162 OD2 ASP A 79 14.383 -5.828 -2.240 1.00 0.00 O ATOM 0 H ASP A 79 15.084 -2.105 0.334 1.00 0.00 H new ATOM 0 HA ASP A 79 14.913 -1.976 -2.598 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.466 -3.925 -0.770 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.838 -3.490 -2.347 1.00 0.00 H new ATOM 1167 N THR A 80 12.784 -0.606 -2.443 1.00 0.00 N ATOM 1168 CA THR A 80 11.767 0.434 -2.312 1.00 0.00 C ATOM 1169 C THR A 80 10.417 -0.038 -2.849 1.00 0.00 C ATOM 1170 O THR A 80 10.352 -0.810 -3.805 1.00 0.00 O ATOM 1171 CB THR A 80 12.205 1.700 -3.050 1.00 0.00 C ATOM 1172 OG1 THR A 80 13.603 1.892 -2.929 1.00 0.00 O ATOM 1173 CG2 THR A 80 11.522 2.954 -2.547 1.00 0.00 C ATOM 0 H THR A 80 12.992 -0.874 -3.405 1.00 0.00 H new ATOM 0 HA THR A 80 11.653 0.656 -1.251 1.00 0.00 H new ATOM 0 HB THR A 80 11.917 1.543 -4.089 1.00 0.00 H new ATOM 0 HG1 THR A 80 13.780 2.613 -2.289 1.00 0.00 H new ATOM 0 HG21 THR A 80 11.878 3.814 -3.113 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.444 2.857 -2.674 1.00 0.00 H new ATOM 0 HG23 THR A 80 11.751 3.095 -1.491 1.00 0.00 H new ATOM 1181 N LEU A 81 9.340 0.448 -2.235 1.00 0.00 N ATOM 1182 CA LEU A 81 7.987 0.082 -2.632 1.00 0.00 C ATOM 1183 C LEU A 81 7.082 1.319 -2.594 1.00 0.00 C ATOM 1184 O LEU A 81 7.429 2.320 -1.974 1.00 0.00 O ATOM 1185 CB LEU A 81 7.441 -1.029 -1.714 1.00 0.00 C ATOM 1186 CG LEU A 81 8.231 -1.240 -0.412 1.00 0.00 C ATOM 1187 CD1 LEU A 81 7.423 -2.024 0.609 1.00 0.00 C ATOM 1188 CD2 LEU A 81 9.547 -1.942 -0.698 1.00 0.00 C ATOM 0 H LEU A 81 9.382 1.102 -1.454 1.00 0.00 H new ATOM 0 HA LEU A 81 8.005 -0.303 -3.652 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.407 -0.795 -1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.429 -1.966 -2.270 1.00 0.00 H new ATOM 0 HG LEU A 81 8.440 -0.258 0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.012 -2.154 1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.509 -1.480 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.168 -3.001 0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.094 -2.084 0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.350 -2.912 -1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.143 -1.335 -1.379 1.00 0.00 H new ATOM 1200 N THR A 82 5.964 1.276 -3.315 1.00 0.00 N ATOM 1201 CA THR A 82 5.046 2.419 -3.384 1.00 0.00 C ATOM 1202 C THR A 82 3.631 2.007 -2.980 1.00 0.00 C ATOM 1203 O THR A 82 3.114 1.013 -3.478 1.00 0.00 O ATOM 1204 CB THR A 82 5.033 2.977 -4.807 1.00 0.00 C ATOM 1205 OG1 THR A 82 5.237 1.940 -5.751 1.00 0.00 O ATOM 1206 CG2 THR A 82 6.091 4.026 -5.046 1.00 0.00 C ATOM 0 H THR A 82 5.669 0.466 -3.860 1.00 0.00 H new ATOM 0 HA THR A 82 5.392 3.185 -2.690 1.00 0.00 H new ATOM 0 HB THR A 82 4.053 3.438 -4.929 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.556 1.999 -6.454 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.027 4.380 -6.075 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.935 4.862 -4.364 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.077 3.595 -4.872 1.00 0.00 H new ATOM 1214 N ILE A 83 2.989 2.784 -2.105 1.00 0.00 N ATOM 1215 CA ILE A 83 1.647 2.427 -1.631 1.00 0.00 C ATOM 1216 C ILE A 83 0.821 3.634 -1.224 1.00 0.00 C ATOM 1217 O ILE A 83 1.327 4.556 -0.595 1.00 0.00 O ATOM 1218 CB ILE A 83 1.748 1.492 -0.418 1.00 0.00 C ATOM 1219 CG1 ILE A 83 0.391 1.115 0.162 1.00 0.00 C ATOM 1220 CG2 ILE A 83 2.552 2.159 0.658 1.00 0.00 C ATOM 1221 CD1 ILE A 83 0.485 -0.069 1.093 1.00 0.00 C ATOM 0 H ILE A 83 3.366 3.648 -1.716 1.00 0.00 H new ATOM 0 HA ILE A 83 1.150 1.938 -2.469 1.00 0.00 H new ATOM 0 HB ILE A 83 2.225 0.577 -0.768 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.023 1.968 0.700 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.299 0.885 -0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.625 1.497 1.521 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.552 2.378 0.283 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.064 3.088 0.954 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.505 -0.304 1.484 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.874 -0.930 0.549 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.154 0.170 1.920 1.00 0.00 H new ATOM 1233 N GLY A 84 -0.480 3.582 -1.509 1.00 0.00 N ATOM 1234 CA GLY A 84 -1.364 4.684 -1.162 1.00 0.00 C ATOM 1235 C GLY A 84 -0.764 6.021 -1.552 1.00 0.00 C ATOM 1236 O GLY A 84 -0.831 6.417 -2.716 1.00 0.00 O ATOM 0 H GLY A 84 -0.937 2.797 -1.973 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -2.323 4.554 -1.663 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -1.560 4.671 -0.090 1.00 0.00 H new ATOM 1240 N GLU A 85 -0.092 6.678 -0.603 1.00 0.00 N ATOM 1241 CA GLU A 85 0.641 7.911 -0.923 1.00 0.00 C ATOM 1242 C GLU A 85 1.577 7.615 -2.088 1.00 0.00 C ATOM 1243 O GLU A 85 1.756 8.439 -2.981 1.00 0.00 O ATOM 1244 CB GLU A 85 1.456 8.469 0.269 1.00 0.00 C ATOM 1245 CG GLU A 85 1.496 7.601 1.524 1.00 0.00 C ATOM 1246 CD GLU A 85 2.182 6.271 1.304 1.00 0.00 C ATOM 1247 OE1 GLU A 85 3.310 6.268 0.774 1.00 0.00 O ATOM 1248 OE2 GLU A 85 1.604 5.236 1.691 1.00 0.00 O ATOM 0 H GLU A 85 -0.038 6.387 0.373 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.091 8.678 -1.177 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.480 8.636 -0.065 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.046 9.442 0.539 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.012 8.143 2.317 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.477 7.425 1.869 1.00 0.00 H new ATOM 1255 N GLU A 86 2.069 6.372 -2.087 1.00 0.00 N ATOM 1256 CA GLU A 86 2.953 5.813 -3.109 1.00 0.00 C ATOM 1257 C GLU A 86 4.389 5.780 -2.608 1.00 0.00 C ATOM 1258 O GLU A 86 5.332 5.946 -3.377 1.00 0.00 O ATOM 1259 CB GLU A 86 2.841 6.538 -4.456 1.00 0.00 C ATOM 1260 CG GLU A 86 3.743 7.758 -4.598 1.00 0.00 C ATOM 1261 CD GLU A 86 3.236 8.739 -5.636 1.00 0.00 C ATOM 1262 OE1 GLU A 86 2.623 8.291 -6.628 1.00 0.00 O ATOM 1263 OE2 GLU A 86 3.449 9.957 -5.456 1.00 0.00 O ATOM 0 H GLU A 86 1.853 5.705 -1.346 1.00 0.00 H new ATOM 0 HA GLU A 86 2.626 4.790 -3.293 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.077 5.833 -5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.806 6.849 -4.601 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.821 8.262 -3.635 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.747 7.433 -4.870 1.00 0.00 H new ATOM 1270 N ASN A 87 4.544 5.592 -1.301 1.00 0.00 N ATOM 1271 CA ASN A 87 5.866 5.506 -0.710 1.00 0.00 C ATOM 1272 C ASN A 87 5.932 4.474 0.414 1.00 0.00 C ATOM 1273 O ASN A 87 5.422 4.695 1.511 1.00 0.00 O ATOM 1274 CB ASN A 87 6.310 6.870 -0.186 1.00 0.00 C ATOM 1275 CG ASN A 87 7.478 7.436 -0.969 1.00 0.00 C ATOM 1276 OD1 ASN A 87 7.345 8.443 -1.665 1.00 0.00 O ATOM 1277 ND2 ASN A 87 8.632 6.788 -0.861 1.00 0.00 N ATOM 0 H ASN A 87 3.774 5.497 -0.639 1.00 0.00 H new ATOM 0 HA ASN A 87 6.544 5.181 -1.499 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.472 7.565 -0.235 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.589 6.780 0.864 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.453 7.121 -1.366 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.697 5.957 -0.273 1.00 0.00 H new ATOM 1284 N PHE A 88 6.637 3.388 0.142 1.00 0.00 N ATOM 1285 CA PHE A 88 6.904 2.348 1.124 1.00 0.00 C ATOM 1286 C PHE A 88 8.360 1.940 1.001 1.00 0.00 C ATOM 1287 O PHE A 88 8.901 1.854 -0.101 1.00 0.00 O ATOM 1288 CB PHE A 88 6.006 1.118 0.915 1.00 0.00 C ATOM 1289 CG PHE A 88 4.890 0.945 1.916 1.00 0.00 C ATOM 1290 CD1 PHE A 88 4.533 1.966 2.774 1.00 0.00 C ATOM 1291 CD2 PHE A 88 4.196 -0.252 1.989 1.00 0.00 C ATOM 1292 CE1 PHE A 88 3.499 1.806 3.683 1.00 0.00 C ATOM 1293 CE2 PHE A 88 3.167 -0.423 2.899 1.00 0.00 C ATOM 1294 CZ PHE A 88 2.805 0.614 3.734 1.00 0.00 C ATOM 0 H PHE A 88 7.044 3.201 -0.774 1.00 0.00 H new ATOM 0 HA PHE A 88 6.690 2.743 2.117 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.569 1.175 -0.082 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.632 0.226 0.938 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.068 2.904 2.736 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.462 -1.063 1.327 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.237 2.613 4.351 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.648 -1.368 2.955 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.983 0.494 4.424 1.00 0.00 H new ATOM 1304 N TRP A 89 8.999 1.745 2.131 1.00 0.00 N ATOM 1305 CA TRP A 89 10.405 1.370 2.154 1.00 0.00 C ATOM 1306 C TRP A 89 10.622 0.216 3.107 1.00 0.00 C ATOM 1307 O TRP A 89 9.957 0.119 4.138 1.00 0.00 O ATOM 1308 CB TRP A 89 11.289 2.554 2.549 1.00 0.00 C ATOM 1309 CG TRP A 89 12.731 2.359 2.192 1.00 0.00 C ATOM 1310 CD1 TRP A 89 13.595 1.453 2.738 1.00 0.00 C ATOM 1311 CD2 TRP A 89 13.477 3.082 1.206 1.00 0.00 C ATOM 1312 NE1 TRP A 89 14.832 1.570 2.154 1.00 0.00 N ATOM 1313 CE2 TRP A 89 14.786 2.562 1.211 1.00 0.00 C ATOM 1314 CE3 TRP A 89 13.167 4.118 0.320 1.00 0.00 C ATOM 1315 CZ2 TRP A 89 15.782 3.045 0.364 1.00 0.00 C ATOM 1316 CZ3 TRP A 89 14.157 4.595 -0.518 1.00 0.00 C ATOM 1317 CH2 TRP A 89 15.450 4.059 -0.491 1.00 0.00 C ATOM 0 H TRP A 89 8.571 1.839 3.052 1.00 0.00 H new ATOM 0 HA TRP A 89 10.687 1.060 1.148 1.00 0.00 H new ATOM 0 HB2 TRP A 89 10.919 3.455 2.059 1.00 0.00 H new ATOM 0 HB3 TRP A 89 11.206 2.718 3.623 1.00 0.00 H new ATOM 0 HD1 TRP A 89 13.342 0.748 3.516 1.00 0.00 H new ATOM 0 HE1 TRP A 89 15.652 1.009 2.385 1.00 0.00 H new ATOM 0 HE3 TRP A 89 12.172 4.538 0.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 16.780 2.633 0.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 13.929 5.396 -1.206 1.00 0.00 H new ATOM 0 HH2 TRP A 89 16.201 4.455 -1.159 1.00 0.00 H new ATOM 1328 N VAL A 90 11.537 -0.676 2.760 1.00 0.00 N ATOM 1329 CA VAL A 90 11.780 -1.831 3.594 1.00 0.00 C ATOM 1330 C VAL A 90 12.761 -1.480 4.694 1.00 0.00 C ATOM 1331 O VAL A 90 13.958 -1.300 4.465 1.00 0.00 O ATOM 1332 CB VAL A 90 12.332 -3.020 2.784 1.00 0.00 C ATOM 1333 CG1 VAL A 90 12.270 -4.300 3.604 1.00 0.00 C ATOM 1334 CG2 VAL A 90 11.573 -3.181 1.476 1.00 0.00 C ATOM 0 H VAL A 90 12.113 -0.620 1.920 1.00 0.00 H new ATOM 0 HA VAL A 90 10.823 -2.127 4.024 1.00 0.00 H new ATOM 0 HB VAL A 90 13.376 -2.816 2.546 1.00 0.00 H new ATOM 0 HG11 VAL A 90 12.664 -5.129 3.015 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.866 -4.182 4.509 1.00 0.00 H new ATOM 0 HG13 VAL A 90 11.235 -4.508 3.876 1.00 0.00 H new ATOM 0 HG21 VAL A 90 11.980 -4.026 0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 90 10.519 -3.359 1.687 1.00 0.00 H new ATOM 0 HG23 VAL A 90 11.676 -2.273 0.882 1.00 0.00 H new ATOM 1344 N ASP A 91 12.215 -1.386 5.891 1.00 0.00 N ATOM 1345 CA ASP A 91 12.972 -1.058 7.080 1.00 0.00 C ATOM 1346 C ASP A 91 13.366 -2.327 7.841 1.00 0.00 C ATOM 1347 O ASP A 91 14.079 -2.259 8.844 1.00 0.00 O ATOM 1348 CB ASP A 91 12.114 -0.159 7.965 1.00 0.00 C ATOM 1349 CG ASP A 91 12.932 0.610 8.985 1.00 0.00 C ATOM 1350 OD1 ASP A 91 13.550 1.627 8.604 1.00 0.00 O ATOM 1351 OD2 ASP A 91 12.956 0.195 10.162 1.00 0.00 O ATOM 0 H ASP A 91 11.221 -1.537 6.065 1.00 0.00 H new ATOM 0 HA ASP A 91 13.889 -0.542 6.797 1.00 0.00 H new ATOM 0 HB2 ASP A 91 11.567 0.545 7.338 1.00 0.00 H new ATOM 0 HB3 ASP A 91 11.373 -0.767 8.483 1.00 0.00 H new ATOM 1356 N ARG A 92 12.891 -3.479 7.346 1.00 0.00 N ATOM 1357 CA ARG A 92 13.151 -4.791 7.948 1.00 0.00 C ATOM 1358 C ARG A 92 14.493 -4.858 8.674 1.00 0.00 C ATOM 1359 O ARG A 92 15.451 -4.179 8.306 1.00 0.00 O ATOM 1360 CB ARG A 92 13.097 -5.872 6.865 1.00 0.00 C ATOM 1361 CG ARG A 92 11.680 -6.293 6.501 1.00 0.00 C ATOM 1362 CD ARG A 92 11.610 -7.758 6.083 1.00 0.00 C ATOM 1363 NE ARG A 92 12.850 -8.225 5.463 1.00 0.00 N ATOM 1364 CZ ARG A 92 13.166 -9.509 5.325 1.00 0.00 C ATOM 1365 NH1 ARG A 92 12.336 -10.448 5.757 1.00 0.00 N ATOM 1366 NH2 ARG A 92 14.312 -9.854 4.754 1.00 0.00 N ATOM 0 H ARG A 92 12.310 -3.525 6.509 1.00 0.00 H new ATOM 0 HA ARG A 92 12.376 -4.959 8.696 1.00 0.00 H new ATOM 0 HB2 ARG A 92 13.600 -5.505 5.970 1.00 0.00 H new ATOM 0 HB3 ARG A 92 13.651 -6.746 7.207 1.00 0.00 H new ATOM 0 HG2 ARG A 92 11.022 -6.127 7.354 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.313 -5.666 5.689 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.391 -8.372 6.957 1.00 0.00 H new ATOM 0 HD3 ARG A 92 10.785 -7.894 5.384 1.00 0.00 H new ATOM 0 HE ARG A 92 13.509 -7.527 5.117 1.00 0.00 H new ATOM 0 HH11 ARG A 92 11.453 -10.186 6.196 1.00 0.00 H new ATOM 0 HH12 ARG A 92 12.580 -11.433 5.650 1.00 0.00 H new ATOM 0 HH21 ARG A 92 14.952 -9.134 4.420 1.00 0.00 H new ATOM 0 HH22 ARG A 92 14.553 -10.840 4.649 1.00 0.00 H new ATOM 1499 N LEU A 103 8.240 -7.332 8.006 1.00 0.00 N ATOM 1500 CA LEU A 103 8.268 -6.195 7.106 1.00 0.00 C ATOM 1501 C LEU A 103 8.072 -4.895 7.869 1.00 0.00 C ATOM 1502 O LEU A 103 6.944 -4.493 8.161 1.00 0.00 O ATOM 1503 CB LEU A 103 7.209 -6.319 6.006 1.00 0.00 C ATOM 1504 CG LEU A 103 7.675 -5.927 4.588 1.00 0.00 C ATOM 1505 CD1 LEU A 103 6.501 -5.439 3.753 1.00 0.00 C ATOM 1506 CD2 LEU A 103 8.761 -4.857 4.630 1.00 0.00 C ATOM 0 HA LEU A 103 9.250 -6.184 6.633 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.855 -7.350 5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.356 -5.695 6.275 1.00 0.00 H new ATOM 0 HG LEU A 103 8.095 -6.820 4.126 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.851 -5.168 2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.757 -6.232 3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.053 -4.567 4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.064 -4.606 3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.374 -3.965 5.124 1.00 0.00 H new ATOM 0 HD23 LEU A 103 9.622 -5.234 5.183 1.00 0.00 H new ATOM 1518 N TRP A 104 9.177 -4.231 8.166 1.00 0.00 N ATOM 1519 CA TRP A 104 9.140 -2.952 8.849 1.00 0.00 C ATOM 1520 C TRP A 104 9.273 -1.854 7.802 1.00 0.00 C ATOM 1521 O TRP A 104 9.985 -2.024 6.817 1.00 0.00 O ATOM 1522 CB TRP A 104 10.245 -2.895 9.904 1.00 0.00 C ATOM 1523 CG TRP A 104 9.746 -3.121 11.299 1.00 0.00 C ATOM 1524 CD1 TRP A 104 9.177 -2.199 12.128 1.00 0.00 C ATOM 1525 CD2 TRP A 104 9.770 -4.356 12.028 1.00 0.00 C ATOM 1526 NE1 TRP A 104 8.849 -2.782 13.329 1.00 0.00 N ATOM 1527 CE2 TRP A 104 9.202 -4.105 13.292 1.00 0.00 C ATOM 1528 CE3 TRP A 104 10.216 -5.648 11.735 1.00 0.00 C ATOM 1529 CZ2 TRP A 104 9.069 -5.098 14.260 1.00 0.00 C ATOM 1530 CZ3 TRP A 104 10.084 -6.632 12.698 1.00 0.00 C ATOM 1531 CH2 TRP A 104 9.514 -6.352 13.945 1.00 0.00 C ATOM 0 H TRP A 104 10.116 -4.561 7.942 1.00 0.00 H new ATOM 0 HA TRP A 104 8.197 -2.813 9.377 1.00 0.00 H new ATOM 0 HB2 TRP A 104 11.000 -3.645 9.670 1.00 0.00 H new ATOM 0 HB3 TRP A 104 10.735 -1.923 9.854 1.00 0.00 H new ATOM 0 HD1 TRP A 104 9.009 -1.162 11.877 1.00 0.00 H new ATOM 0 HE1 TRP A 104 8.413 -2.307 14.119 1.00 0.00 H new ATOM 0 HE3 TRP A 104 10.655 -5.874 10.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 8.631 -4.885 15.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 10.427 -7.634 12.484 1.00 0.00 H new ATOM 0 HH2 TRP A 104 9.424 -7.143 14.674 1.00 0.00 H new ATOM 1542 N LEU A 105 8.473 -0.801 7.928 1.00 0.00 N ATOM 1543 CA LEU A 105 8.366 0.180 6.862 1.00 0.00 C ATOM 1544 C LEU A 105 8.976 1.540 7.157 1.00 0.00 C ATOM 1545 O LEU A 105 9.070 1.980 8.303 1.00 0.00 O ATOM 1546 CB LEU A 105 6.902 0.423 6.548 1.00 0.00 C ATOM 1547 CG LEU A 105 6.086 -0.812 6.221 1.00 0.00 C ATOM 1548 CD1 LEU A 105 5.706 -1.546 7.492 1.00 0.00 C ATOM 1549 CD2 LEU A 105 4.869 -0.399 5.449 1.00 0.00 C ATOM 0 H LEU A 105 7.897 -0.609 8.748 1.00 0.00 H new ATOM 0 HA LEU A 105 8.928 -0.255 6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.444 0.923 7.402 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.840 1.111 5.705 1.00 0.00 H new ATOM 0 HG LEU A 105 6.678 -1.496 5.613 1.00 0.00 H new ATOM 0 HD11 LEU A 105 5.120 -2.430 7.240 1.00 0.00 H new ATOM 0 HD12 LEU A 105 6.609 -1.848 8.022 1.00 0.00 H new ATOM 0 HD13 LEU A 105 5.114 -0.888 8.129 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.274 -1.280 5.208 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.273 0.288 6.050 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.174 0.096 4.527 1.00 0.00 H new ATOM 1561 N GLY A 106 9.213 2.250 6.062 1.00 0.00 N ATOM 1562 CA GLY A 106 9.640 3.633 6.088 1.00 0.00 C ATOM 1563 C GLY A 106 9.090 4.367 4.869 1.00 0.00 C ATOM 1564 O GLY A 106 9.471 4.058 3.743 1.00 0.00 O ATOM 0 H GLY A 106 9.111 1.872 5.120 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.291 4.114 7.002 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.729 3.687 6.096 1.00 0.00 H new ATOM 1568 N ARG A 107 8.142 5.284 5.071 1.00 0.00 N ATOM 1569 CA ARG A 107 7.516 5.975 3.938 1.00 0.00 C ATOM 1570 C ARG A 107 8.140 7.337 3.694 1.00 0.00 C ATOM 1571 O ARG A 107 8.245 8.157 4.607 1.00 0.00 O ATOM 1572 CB ARG A 107 6.009 6.171 4.162 1.00 0.00 C ATOM 1573 CG ARG A 107 5.253 4.889 4.422 1.00 0.00 C ATOM 1574 CD ARG A 107 3.828 4.965 3.885 1.00 0.00 C ATOM 1575 NE ARG A 107 2.844 4.908 4.969 1.00 0.00 N ATOM 1576 CZ ARG A 107 1.628 4.367 4.864 1.00 0.00 C ATOM 1577 NH1 ARG A 107 1.224 3.818 3.725 1.00 0.00 N ATOM 1578 NH2 ARG A 107 0.816 4.366 5.912 1.00 0.00 N ATOM 0 H ARG A 107 7.795 5.563 5.989 1.00 0.00 H new ATOM 0 HA ARG A 107 7.681 5.339 3.068 1.00 0.00 H new ATOM 0 HB2 ARG A 107 5.862 6.844 5.006 1.00 0.00 H new ATOM 0 HB3 ARG A 107 5.583 6.660 3.286 1.00 0.00 H new ATOM 0 HG2 ARG A 107 5.776 4.055 3.954 1.00 0.00 H new ATOM 0 HG3 ARG A 107 5.230 4.689 5.493 1.00 0.00 H new ATOM 0 HD2 ARG A 107 3.699 5.890 3.322 1.00 0.00 H new ATOM 0 HD3 ARG A 107 3.655 4.143 3.191 1.00 0.00 H new ATOM 0 HE ARG A 107 3.107 5.311 5.869 1.00 0.00 H new ATOM 0 HH11 ARG A 107 1.845 3.806 2.916 1.00 0.00 H new ATOM 0 HH12 ARG A 107 0.292 3.408 3.659 1.00 0.00 H new ATOM 0 HH21 ARG A 107 1.121 4.777 6.794 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -0.114 3.954 5.836 1.00 0.00 H new ATOM 1592 N GLY A 108 8.500 7.594 2.443 1.00 0.00 N ATOM 1593 CA GLY A 108 9.010 8.897 2.083 1.00 0.00 C ATOM 1594 C GLY A 108 7.914 9.944 2.124 1.00 0.00 C ATOM 1595 O GLY A 108 8.189 11.141 2.214 1.00 0.00 O ATOM 0 H GLY A 108 8.447 6.924 1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 108 9.811 9.178 2.766 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.442 8.858 1.083 1.00 0.00 H new