USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 531 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 29 THR OG1 : rot -30:sc= 0.692 USER MOD Single : A 31 CYS SG : rot 180:sc= -3.29! USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0206 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -129:sc= 0.0725 (180deg=-0.0918) USER MOD Single : A 45 SER OG : rot -88:sc= 0.699 USER MOD Single : A 60 THR OG1 : rot 35:sc= 0.885 USER MOD Single : A 62 ASN : amide:sc= -14.9! C(o=-15!,f=-9.6!) USER MOD Single : A 75 THR OG1 : rot -170:sc= -0.113 USER MOD Single : A 77 GLN : amide:sc= -2.8 K(o=-2.8,f=-1.2) USER MOD Single : A 84 GLN : amide:sc= -9.18! C(o=-9.2!,f=-32!) USER MOD Single : A 88 THR OG1 : rot -60:sc= -6.3! USER MOD Single : A 90 MET CE :methyl 154:sc= -9.41! (180deg=-13.9!) USER MOD Single : A 91 GLN : amide:sc= -0.646 K(o=-0.65,f=-3.3) USER MOD Single : A 94 THR OG1 : rot -90:sc= -5.59! USER MOD Single : A 100 ASN : amide:sc= -0.0139 K(o=-0.014,f=-0.76) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 349 N THR A 29 -3.012 -9.171 -13.742 1.00 0.00 N ATOM 350 CA THR A 29 -2.914 -7.713 -14.036 1.00 0.00 C ATOM 351 C THR A 29 -1.974 -7.047 -13.031 1.00 0.00 C ATOM 352 O THR A 29 -1.952 -7.386 -11.864 1.00 0.00 O ATOM 353 CB THR A 29 -4.303 -7.079 -13.934 1.00 0.00 C ATOM 354 OG1 THR A 29 -5.057 -7.758 -12.940 1.00 0.00 O ATOM 355 CG2 THR A 29 -5.017 -7.186 -15.281 1.00 0.00 C ATOM 0 HA THR A 29 -2.522 -7.573 -15.043 1.00 0.00 H new ATOM 0 HB THR A 29 -4.204 -6.028 -13.663 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.770 -8.694 -12.894 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.006 -6.734 -15.206 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.437 -6.665 -16.043 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.118 -8.236 -15.557 1.00 0.00 H new ATOM 363 N VAL A 30 -1.198 -6.096 -13.477 1.00 0.00 N ATOM 364 CA VAL A 30 -0.260 -5.401 -12.552 1.00 0.00 C ATOM 365 C VAL A 30 -0.808 -4.011 -12.229 1.00 0.00 C ATOM 366 O VAL A 30 -1.507 -3.407 -13.017 1.00 0.00 O ATOM 367 CB VAL A 30 1.114 -5.273 -13.220 1.00 0.00 C ATOM 368 CG1 VAL A 30 1.941 -4.191 -12.517 1.00 0.00 C ATOM 369 CG2 VAL A 30 1.850 -6.609 -13.124 1.00 0.00 C ATOM 0 H VAL A 30 -1.174 -5.771 -14.443 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.160 -5.975 -11.631 1.00 0.00 H new ATOM 0 HB VAL A 30 0.977 -4.998 -14.266 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.915 -4.107 -12.999 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.421 -3.235 -12.582 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.076 -4.460 -11.469 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.827 -6.521 -13.598 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.978 -6.879 -12.076 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.270 -7.381 -13.629 1.00 0.00 H new ATOM 379 N CYS A 31 -0.489 -3.500 -11.074 1.00 0.00 N ATOM 380 CA CYS A 31 -0.983 -2.145 -10.697 1.00 0.00 C ATOM 381 C CYS A 31 0.167 -1.326 -10.107 1.00 0.00 C ATOM 382 O CYS A 31 0.377 -1.306 -8.911 1.00 0.00 O ATOM 383 CB CYS A 31 -2.101 -2.269 -9.659 1.00 0.00 C ATOM 384 SG CYS A 31 -3.109 -3.729 -10.018 1.00 0.00 S ATOM 0 H CYS A 31 0.092 -3.961 -10.374 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.369 -1.646 -11.586 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.675 -2.347 -8.659 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.723 -1.374 -9.672 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.056 -3.831 -9.133 1.00 0.00 H new ATOM 390 N THR A 32 0.912 -0.647 -10.937 1.00 0.00 N ATOM 391 CA THR A 32 2.043 0.174 -10.420 1.00 0.00 C ATOM 392 C THR A 32 1.490 1.461 -9.805 1.00 0.00 C ATOM 393 O THR A 32 0.811 2.228 -10.457 1.00 0.00 O ATOM 394 CB THR A 32 2.985 0.523 -11.573 1.00 0.00 C ATOM 395 OG1 THR A 32 2.960 -0.521 -12.535 1.00 0.00 O ATOM 396 CG2 THR A 32 4.407 0.696 -11.039 1.00 0.00 C ATOM 0 H THR A 32 0.786 -0.626 -11.949 1.00 0.00 H new ATOM 0 HA THR A 32 2.590 -0.388 -9.663 1.00 0.00 H new ATOM 0 HB THR A 32 2.661 1.453 -12.039 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.562 -0.298 -13.275 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.077 0.945 -11.862 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.424 1.499 -10.302 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.736 -0.232 -10.572 1.00 0.00 H new ATOM 404 N VAL A 33 1.754 1.694 -8.548 1.00 0.00 N ATOM 405 CA VAL A 33 1.215 2.923 -7.890 1.00 0.00 C ATOM 406 C VAL A 33 2.239 3.509 -6.906 1.00 0.00 C ATOM 407 O VAL A 33 3.179 2.852 -6.509 1.00 0.00 O ATOM 408 CB VAL A 33 -0.061 2.564 -7.116 1.00 0.00 C ATOM 409 CG1 VAL A 33 -1.261 3.195 -7.812 1.00 0.00 C ATOM 410 CG2 VAL A 33 -0.255 1.040 -7.059 1.00 0.00 C ATOM 0 H VAL A 33 2.317 1.091 -7.949 1.00 0.00 H new ATOM 0 HA VAL A 33 1.000 3.662 -8.662 1.00 0.00 H new ATOM 0 HB VAL A 33 0.030 2.942 -6.098 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.171 2.944 -7.267 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.140 4.278 -7.836 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.332 2.815 -8.831 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.165 0.810 -6.506 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.336 0.645 -8.072 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.599 0.583 -6.559 1.00 0.00 H new ATOM 420 N THR A 34 2.054 4.745 -6.489 1.00 0.00 N ATOM 421 CA THR A 34 3.002 5.346 -5.514 1.00 0.00 C ATOM 422 C THR A 34 2.311 5.613 -4.180 1.00 0.00 C ATOM 423 O THR A 34 1.265 6.227 -4.117 1.00 0.00 O ATOM 424 CB THR A 34 3.546 6.683 -6.017 1.00 0.00 C ATOM 425 OG1 THR A 34 2.635 7.272 -6.929 1.00 0.00 O ATOM 426 CG2 THR A 34 4.925 6.502 -6.647 1.00 0.00 C ATOM 0 H THR A 34 1.290 5.352 -6.785 1.00 0.00 H new ATOM 0 HA THR A 34 3.816 4.631 -5.391 1.00 0.00 H new ATOM 0 HB THR A 34 3.658 7.357 -5.168 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.994 8.128 -7.243 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.294 7.466 -6.998 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.614 6.098 -5.905 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.853 5.812 -7.488 1.00 0.00 H new ATOM 434 N LEU A 35 2.926 5.206 -3.111 1.00 0.00 N ATOM 435 CA LEU A 35 2.358 5.485 -1.773 1.00 0.00 C ATOM 436 C LEU A 35 3.126 6.673 -1.196 1.00 0.00 C ATOM 437 O LEU A 35 4.039 7.180 -1.816 1.00 0.00 O ATOM 438 CB LEU A 35 2.510 4.259 -0.865 1.00 0.00 C ATOM 439 CG LEU A 35 1.264 3.375 -0.980 1.00 0.00 C ATOM 440 CD1 LEU A 35 0.116 4.015 -0.197 1.00 0.00 C ATOM 441 CD2 LEU A 35 0.861 3.239 -2.450 1.00 0.00 C ATOM 0 H LEU A 35 3.805 4.688 -3.108 1.00 0.00 H new ATOM 0 HA LEU A 35 1.294 5.712 -1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.397 3.692 -1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.650 4.575 0.169 1.00 0.00 H new ATOM 0 HG LEU A 35 1.482 2.388 -0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.772 3.389 -0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.400 4.111 0.851 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.098 5.002 -0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.026 2.610 -2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.643 4.225 -2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.678 2.785 -3.011 1.00 0.00 H new ATOM 453 N GLU A 36 2.789 7.124 -0.029 1.00 0.00 N ATOM 454 CA GLU A 36 3.534 8.273 0.543 1.00 0.00 C ATOM 455 C GLU A 36 4.281 7.802 1.794 1.00 0.00 C ATOM 456 O GLU A 36 3.679 7.405 2.771 1.00 0.00 O ATOM 457 CB GLU A 36 2.551 9.387 0.917 1.00 0.00 C ATOM 458 CG GLU A 36 1.433 8.817 1.795 1.00 0.00 C ATOM 459 CD GLU A 36 0.356 9.883 2.009 1.00 0.00 C ATOM 460 OE1 GLU A 36 0.269 10.781 1.189 1.00 0.00 O ATOM 461 OE2 GLU A 36 -0.362 9.779 2.989 1.00 0.00 O ATOM 0 H GLU A 36 2.037 6.753 0.551 1.00 0.00 H new ATOM 0 HA GLU A 36 4.244 8.657 -0.189 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.073 10.183 1.448 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.128 9.830 0.015 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.999 7.936 1.322 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.838 8.497 2.755 1.00 0.00 H new ATOM 468 N LYS A 37 5.588 7.833 1.777 1.00 0.00 N ATOM 469 CA LYS A 37 6.345 7.369 2.986 1.00 0.00 C ATOM 470 C LYS A 37 6.347 8.482 4.038 1.00 0.00 C ATOM 471 O LYS A 37 7.134 9.406 3.982 1.00 0.00 O ATOM 472 CB LYS A 37 7.794 6.977 2.622 1.00 0.00 C ATOM 473 CG LYS A 37 8.682 7.013 3.873 1.00 0.00 C ATOM 474 CD LYS A 37 8.046 6.172 4.981 1.00 0.00 C ATOM 475 CE LYS A 37 8.085 6.948 6.300 1.00 0.00 C ATOM 476 NZ LYS A 37 9.502 7.189 6.695 1.00 0.00 N ATOM 0 H LYS A 37 6.159 8.153 0.995 1.00 0.00 H new ATOM 0 HA LYS A 37 5.853 6.483 3.388 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.810 5.979 2.184 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.186 7.661 1.869 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.675 6.630 3.637 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.809 8.041 4.211 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.016 5.928 4.721 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.580 5.228 5.087 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.561 7.897 6.191 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.570 6.387 7.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.645 6.885 7.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.133 6.648 6.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.718 8.203 6.611 1.00 0.00 H new ATOM 528 N GLY A 41 5.966 3.598 7.335 1.00 0.00 N ATOM 529 CA GLY A 41 5.554 2.266 6.798 1.00 0.00 C ATOM 530 C GLY A 41 4.420 2.443 5.782 1.00 0.00 C ATOM 531 O GLY A 41 3.591 1.573 5.607 1.00 0.00 O ATOM 0 HA2 GLY A 41 6.405 1.776 6.325 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.227 1.621 7.613 1.00 0.00 H new ATOM 535 N LEU A 42 4.380 3.565 5.113 1.00 0.00 N ATOM 536 CA LEU A 42 3.303 3.818 4.103 1.00 0.00 C ATOM 537 C LEU A 42 1.965 3.294 4.616 1.00 0.00 C ATOM 538 O LEU A 42 1.073 2.981 3.854 1.00 0.00 O ATOM 539 CB LEU A 42 3.647 3.148 2.765 1.00 0.00 C ATOM 540 CG LEU A 42 5.066 2.589 2.813 1.00 0.00 C ATOM 541 CD1 LEU A 42 5.407 1.944 1.467 1.00 0.00 C ATOM 542 CD2 LEU A 42 6.058 3.718 3.092 1.00 0.00 C ATOM 0 H LEU A 42 5.052 4.325 5.222 1.00 0.00 H new ATOM 0 HA LEU A 42 3.228 4.894 3.945 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.938 2.347 2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.559 3.870 1.953 1.00 0.00 H new ATOM 0 HG LEU A 42 5.129 1.844 3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.421 1.545 1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.705 1.135 1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.338 2.692 0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.070 3.314 3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.992 4.465 2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.821 4.182 4.049 1.00 0.00 H new ATOM 554 N GLY A 43 1.813 3.214 5.905 1.00 0.00 N ATOM 555 CA GLY A 43 0.530 2.733 6.477 1.00 0.00 C ATOM 556 C GLY A 43 0.257 1.299 6.028 1.00 0.00 C ATOM 557 O GLY A 43 -0.810 0.770 6.256 1.00 0.00 O ATOM 0 H GLY A 43 2.526 3.463 6.590 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.568 2.780 7.565 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.285 3.383 6.158 1.00 0.00 H new ATOM 561 N PHE A 44 1.200 0.649 5.404 1.00 0.00 N ATOM 562 CA PHE A 44 0.948 -0.745 4.972 1.00 0.00 C ATOM 563 C PHE A 44 2.128 -1.631 5.391 1.00 0.00 C ATOM 564 O PHE A 44 3.246 -1.182 5.545 1.00 0.00 O ATOM 565 CB PHE A 44 0.721 -0.795 3.450 1.00 0.00 C ATOM 566 CG PHE A 44 2.027 -0.988 2.723 1.00 0.00 C ATOM 567 CD1 PHE A 44 3.158 -0.269 3.105 1.00 0.00 C ATOM 568 CD2 PHE A 44 2.102 -1.894 1.669 1.00 0.00 C ATOM 569 CE1 PHE A 44 4.360 -0.459 2.431 1.00 0.00 C ATOM 570 CE2 PHE A 44 3.306 -2.089 0.991 1.00 0.00 C ATOM 571 CZ PHE A 44 4.439 -1.370 1.373 1.00 0.00 C ATOM 0 H PHE A 44 2.123 1.021 5.179 1.00 0.00 H new ATOM 0 HA PHE A 44 0.046 -1.122 5.454 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.039 -1.609 3.206 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.247 0.128 3.117 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.101 0.434 3.923 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.224 -2.449 1.374 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.236 0.100 2.726 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.361 -2.793 0.174 1.00 0.00 H new ATOM 0 HZ PHE A 44 5.374 -1.517 0.853 1.00 0.00 H new ATOM 581 N SER A 45 1.862 -2.885 5.582 1.00 0.00 N ATOM 582 CA SER A 45 2.928 -3.853 6.005 1.00 0.00 C ATOM 583 C SER A 45 2.873 -5.078 5.090 1.00 0.00 C ATOM 584 O SER A 45 1.811 -5.489 4.657 1.00 0.00 O ATOM 585 CB SER A 45 2.677 -4.287 7.450 1.00 0.00 C ATOM 586 OG SER A 45 3.663 -5.236 7.833 1.00 0.00 O ATOM 0 H SER A 45 0.937 -3.298 5.463 1.00 0.00 H new ATOM 0 HA SER A 45 3.908 -3.380 5.935 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.711 -3.422 8.113 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.682 -4.721 7.544 1.00 0.00 H new ATOM 0 HG SER A 45 3.360 -6.137 7.595 1.00 0.00 H new ATOM 592 N LEU A 46 4.008 -5.650 4.776 1.00 0.00 N ATOM 593 CA LEU A 46 4.021 -6.828 3.858 1.00 0.00 C ATOM 594 C LEU A 46 4.217 -8.143 4.610 1.00 0.00 C ATOM 595 O LEU A 46 5.076 -8.264 5.460 1.00 0.00 O ATOM 596 CB LEU A 46 5.160 -6.666 2.858 1.00 0.00 C ATOM 597 CG LEU A 46 4.613 -6.032 1.588 1.00 0.00 C ATOM 598 CD1 LEU A 46 4.175 -4.598 1.890 1.00 0.00 C ATOM 599 CD2 LEU A 46 5.700 -6.024 0.514 1.00 0.00 C ATOM 0 H LEU A 46 4.923 -5.353 5.115 1.00 0.00 H new ATOM 0 HA LEU A 46 3.055 -6.866 3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.948 -6.043 3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.606 -7.635 2.634 1.00 0.00 H new ATOM 0 HG LEU A 46 3.758 -6.605 1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.782 -4.139 0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.400 -4.608 2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.030 -4.024 2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.309 -5.570 -0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.556 -5.449 0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.012 -7.047 0.304 1.00 0.00 H new ATOM 611 N GLU A 47 3.448 -9.145 4.262 1.00 0.00 N ATOM 612 CA GLU A 47 3.614 -10.477 4.917 1.00 0.00 C ATOM 613 C GLU A 47 3.756 -11.542 3.832 1.00 0.00 C ATOM 614 O GLU A 47 3.210 -11.419 2.754 1.00 0.00 O ATOM 615 CB GLU A 47 2.395 -10.818 5.785 1.00 0.00 C ATOM 616 CG GLU A 47 2.580 -10.340 7.241 1.00 0.00 C ATOM 617 CD GLU A 47 3.595 -9.195 7.329 1.00 0.00 C ATOM 618 OE1 GLU A 47 4.774 -9.487 7.422 1.00 0.00 O ATOM 619 OE2 GLU A 47 3.177 -8.050 7.310 1.00 0.00 O ATOM 0 H GLU A 47 2.715 -9.098 3.555 1.00 0.00 H new ATOM 0 HA GLU A 47 4.499 -10.447 5.553 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.505 -10.355 5.360 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.230 -11.895 5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.622 -10.010 7.642 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.914 -11.173 7.859 1.00 0.00 H new ATOM 771 N LEU A 59 5.992 -11.977 -0.889 1.00 0.00 N ATOM 772 CA LEU A 59 5.468 -11.119 0.210 1.00 0.00 C ATOM 773 C LEU A 59 4.148 -10.492 -0.248 1.00 0.00 C ATOM 774 O LEU A 59 3.914 -10.323 -1.427 1.00 0.00 O ATOM 775 CB LEU A 59 6.478 -10.016 0.527 1.00 0.00 C ATOM 776 CG LEU A 59 7.388 -10.474 1.666 1.00 0.00 C ATOM 777 CD1 LEU A 59 8.594 -11.214 1.086 1.00 0.00 C ATOM 778 CD2 LEU A 59 7.867 -9.251 2.453 1.00 0.00 C ATOM 0 HA LEU A 59 5.305 -11.718 1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.072 -9.786 -0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.957 -9.101 0.808 1.00 0.00 H new ATOM 0 HG LEU A 59 6.838 -11.142 2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.244 -11.542 1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.252 -12.082 0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.147 -10.547 0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.517 -9.574 3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.419 -8.585 1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.007 -8.723 2.863 1.00 0.00 H new ATOM 790 N THR A 60 3.274 -10.172 0.662 1.00 0.00 N ATOM 791 CA THR A 60 1.965 -9.585 0.250 1.00 0.00 C ATOM 792 C THR A 60 1.486 -8.569 1.309 1.00 0.00 C ATOM 793 O THR A 60 1.910 -8.629 2.445 1.00 0.00 O ATOM 794 CB THR A 60 0.960 -10.726 0.145 1.00 0.00 C ATOM 795 OG1 THR A 60 1.351 -11.762 1.032 1.00 0.00 O ATOM 796 CG2 THR A 60 0.965 -11.231 -1.290 1.00 0.00 C ATOM 0 H THR A 60 3.405 -10.289 1.667 1.00 0.00 H new ATOM 0 HA THR A 60 2.064 -9.068 -0.704 1.00 0.00 H new ATOM 0 HB THR A 60 -0.042 -10.391 0.411 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.751 -11.370 1.836 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.252 -12.049 -1.390 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.683 -10.420 -1.962 1.00 0.00 H new ATOM 0 HG23 THR A 60 1.963 -11.586 -1.547 1.00 0.00 H new ATOM 804 N ILE A 61 0.599 -7.643 0.979 1.00 0.00 N ATOM 805 CA ILE A 61 0.141 -6.686 2.025 1.00 0.00 C ATOM 806 C ILE A 61 -0.900 -7.354 2.911 1.00 0.00 C ATOM 807 O ILE A 61 -1.899 -7.872 2.453 1.00 0.00 O ATOM 808 CB ILE A 61 -0.488 -5.459 1.399 1.00 0.00 C ATOM 809 CG1 ILE A 61 0.561 -4.658 0.640 1.00 0.00 C ATOM 810 CG2 ILE A 61 -1.063 -4.579 2.499 1.00 0.00 C ATOM 811 CD1 ILE A 61 -0.128 -3.491 -0.071 1.00 0.00 C ATOM 0 H ILE A 61 0.189 -7.519 0.053 1.00 0.00 H new ATOM 0 HA ILE A 61 1.011 -6.388 2.610 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.272 -5.776 0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.321 -4.286 1.327 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.070 -5.294 -0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.518 -3.693 2.056 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.818 -5.136 3.053 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.265 -4.276 3.177 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.614 -2.909 -0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.872 -3.877 -0.767 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.617 -2.854 0.666 1.00 0.00 H new ATOM 823 N ASN A 62 -0.658 -7.333 4.176 1.00 0.00 N ATOM 824 CA ASN A 62 -1.618 -7.958 5.141 1.00 0.00 C ATOM 825 C ASN A 62 -2.280 -6.904 6.025 1.00 0.00 C ATOM 826 O ASN A 62 -3.485 -6.894 6.192 1.00 0.00 O ATOM 827 CB ASN A 62 -0.891 -8.951 6.041 1.00 0.00 C ATOM 828 CG ASN A 62 0.430 -8.343 6.517 1.00 0.00 C ATOM 829 OD1 ASN A 62 0.568 -7.996 7.673 1.00 0.00 O ATOM 830 ND2 ASN A 62 1.414 -8.201 5.671 1.00 0.00 N ATOM 0 H ASN A 62 0.167 -6.910 4.601 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.382 -8.468 4.554 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.515 -9.205 6.898 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.702 -9.877 5.499 1.00 0.00 H new ATOM 0 HD21 ASN A 62 2.299 -7.799 5.981 1.00 0.00 H new ATOM 0 HD22 ASN A 62 1.298 -8.492 4.700 1.00 0.00 H new ATOM 837 N ARG A 63 -1.517 -6.036 6.621 1.00 0.00 N ATOM 838 CA ARG A 63 -2.136 -5.017 7.516 1.00 0.00 C ATOM 839 C ARG A 63 -2.030 -3.624 6.908 1.00 0.00 C ATOM 840 O ARG A 63 -1.055 -2.925 7.098 1.00 0.00 O ATOM 841 CB ARG A 63 -1.444 -5.026 8.884 1.00 0.00 C ATOM 842 CG ARG A 63 -2.506 -5.003 9.986 1.00 0.00 C ATOM 843 CD ARG A 63 -1.850 -5.280 11.339 1.00 0.00 C ATOM 844 NE ARG A 63 -2.227 -6.644 11.805 1.00 0.00 N ATOM 845 CZ ARG A 63 -2.315 -6.895 13.082 1.00 0.00 C ATOM 846 NH1 ARG A 63 -2.912 -6.048 13.874 1.00 0.00 N ATOM 847 NH2 ARG A 63 -1.803 -7.993 13.568 1.00 0.00 N ATOM 0 H ARG A 63 -0.502 -5.985 6.531 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.189 -5.270 7.636 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.819 -5.914 8.983 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.787 -4.162 8.978 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.004 -4.034 10.004 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.272 -5.751 9.782 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.766 -5.200 11.253 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.167 -4.535 12.068 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.416 -7.381 11.126 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.310 -5.189 13.495 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.981 -6.245 14.873 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.334 -8.655 12.949 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.872 -8.189 14.567 1.00 0.00 H new ATOM 861 N ILE A 64 -3.039 -3.200 6.201 1.00 0.00 N ATOM 862 CA ILE A 64 -2.997 -1.839 5.618 1.00 0.00 C ATOM 863 C ILE A 64 -3.638 -0.882 6.604 1.00 0.00 C ATOM 864 O ILE A 64 -4.564 -1.221 7.313 1.00 0.00 O ATOM 865 CB ILE A 64 -3.722 -1.812 4.279 1.00 0.00 C ATOM 866 CG1 ILE A 64 -2.935 -2.709 3.329 1.00 0.00 C ATOM 867 CG2 ILE A 64 -3.771 -0.376 3.737 1.00 0.00 C ATOM 868 CD1 ILE A 64 -2.881 -2.116 1.918 1.00 0.00 C ATOM 0 H ILE A 64 -3.884 -3.736 6.005 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.965 -1.539 5.435 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.748 -2.164 4.382 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.922 -2.843 3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.395 -3.696 3.293 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.291 -0.366 2.779 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.301 0.262 4.444 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.756 -0.003 3.602 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.313 -2.780 1.266 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -3.894 -2.006 1.531 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.398 -1.140 1.952 1.00 0.00 H new ATOM 880 N PHE A 65 -3.121 0.297 6.682 1.00 0.00 N ATOM 881 CA PHE A 65 -3.665 1.281 7.661 1.00 0.00 C ATOM 882 C PHE A 65 -4.442 2.383 6.944 1.00 0.00 C ATOM 883 O PHE A 65 -4.427 2.487 5.733 1.00 0.00 O ATOM 884 CB PHE A 65 -2.507 1.895 8.458 1.00 0.00 C ATOM 885 CG PHE A 65 -1.594 0.784 8.964 1.00 0.00 C ATOM 886 CD1 PHE A 65 -2.085 -0.526 9.107 1.00 0.00 C ATOM 887 CD2 PHE A 65 -0.255 1.060 9.286 1.00 0.00 C ATOM 888 CE1 PHE A 65 -1.240 -1.551 9.565 1.00 0.00 C ATOM 889 CE2 PHE A 65 0.587 0.030 9.745 1.00 0.00 C ATOM 890 CZ PHE A 65 0.092 -1.270 9.882 1.00 0.00 C ATOM 0 H PHE A 65 -2.343 0.632 6.113 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.347 0.766 8.338 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -1.944 2.585 7.829 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.895 2.472 9.297 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.114 -0.745 8.864 1.00 0.00 H new ATOM 0 HD2 PHE A 65 0.129 2.064 9.181 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.620 -2.556 9.672 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.616 0.244 9.992 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.740 -2.059 10.234 1.00 0.00 H new ATOM 1003 N GLU A 74 -7.672 4.439 -4.397 1.00 0.00 N ATOM 1004 CA GLU A 74 -6.987 3.513 -3.452 1.00 0.00 C ATOM 1005 C GLU A 74 -5.706 2.980 -4.096 1.00 0.00 C ATOM 1006 O GLU A 74 -5.745 2.210 -5.034 1.00 0.00 O ATOM 1007 CB GLU A 74 -7.915 2.343 -3.120 1.00 0.00 C ATOM 1008 CG GLU A 74 -8.432 1.720 -4.419 1.00 0.00 C ATOM 1009 CD GLU A 74 -9.879 2.156 -4.655 1.00 0.00 C ATOM 1010 OE1 GLU A 74 -10.073 3.269 -5.114 1.00 0.00 O ATOM 1011 OE2 GLU A 74 -10.767 1.369 -4.375 1.00 0.00 O ATOM 0 HA GLU A 74 -6.737 4.050 -2.537 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.381 1.596 -2.533 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.751 2.689 -2.512 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.807 2.029 -5.257 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.373 0.633 -4.362 1.00 0.00 H new ATOM 1018 N THR A 75 -4.570 3.381 -3.599 1.00 0.00 N ATOM 1019 CA THR A 75 -3.291 2.897 -4.182 1.00 0.00 C ATOM 1020 C THR A 75 -2.797 1.691 -3.392 1.00 0.00 C ATOM 1021 O THR A 75 -1.616 1.410 -3.335 1.00 0.00 O ATOM 1022 CB THR A 75 -2.256 4.016 -4.120 1.00 0.00 C ATOM 1023 OG1 THR A 75 -1.934 4.292 -2.761 1.00 0.00 O ATOM 1024 CG2 THR A 75 -2.836 5.269 -4.771 1.00 0.00 C ATOM 0 H THR A 75 -4.473 4.024 -2.813 1.00 0.00 H new ATOM 0 HA THR A 75 -3.446 2.605 -5.221 1.00 0.00 H new ATOM 0 HB THR A 75 -1.353 3.711 -4.649 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.394 5.109 -2.712 1.00 0.00 H new ATOM 0 HG21 THR A 75 -2.102 6.073 -4.730 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.085 5.057 -5.811 1.00 0.00 H new ATOM 0 HG23 THR A 75 -3.737 5.573 -4.237 1.00 0.00 H new ATOM 1032 N VAL A 76 -3.694 0.977 -2.784 1.00 0.00 N ATOM 1033 CA VAL A 76 -3.284 -0.218 -1.992 1.00 0.00 C ATOM 1034 C VAL A 76 -4.246 -1.379 -2.256 1.00 0.00 C ATOM 1035 O VAL A 76 -5.346 -1.197 -2.741 1.00 0.00 O ATOM 1036 CB VAL A 76 -3.302 0.113 -0.497 1.00 0.00 C ATOM 1037 CG1 VAL A 76 -2.011 0.834 -0.110 1.00 0.00 C ATOM 1038 CG2 VAL A 76 -4.502 1.010 -0.184 1.00 0.00 C ATOM 0 H VAL A 76 -4.696 1.166 -2.798 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.276 -0.503 -2.292 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.382 -0.812 0.073 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.029 1.067 0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.157 0.192 -0.326 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.925 1.758 -0.682 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.513 1.244 0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.426 1.933 -0.758 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.423 0.492 -0.451 1.00 0.00 H new ATOM 1048 N GLN A 77 -3.833 -2.570 -1.926 1.00 0.00 N ATOM 1049 CA GLN A 77 -4.704 -3.766 -2.133 1.00 0.00 C ATOM 1050 C GLN A 77 -4.345 -4.823 -1.081 1.00 0.00 C ATOM 1051 O GLN A 77 -3.185 -5.015 -0.778 1.00 0.00 O ATOM 1052 CB GLN A 77 -4.486 -4.345 -3.537 1.00 0.00 C ATOM 1053 CG GLN A 77 -3.099 -3.959 -4.058 1.00 0.00 C ATOM 1054 CD GLN A 77 -3.222 -2.725 -4.955 1.00 0.00 C ATOM 1055 OE1 GLN A 77 -3.900 -2.758 -5.963 1.00 0.00 O ATOM 1056 NE2 GLN A 77 -2.590 -1.631 -4.630 1.00 0.00 N ATOM 0 H GLN A 77 -2.920 -2.771 -1.517 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.750 -3.476 -2.034 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.583 -5.430 -3.510 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -5.254 -3.973 -4.215 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.429 -3.751 -3.224 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.664 -4.788 -4.617 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -2.021 -1.603 -3.784 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.665 -0.804 -5.222 1.00 0.00 H new ATOM 1065 N PRO A 78 -5.347 -5.477 -0.547 1.00 0.00 N ATOM 1066 CA PRO A 78 -5.152 -6.513 0.482 1.00 0.00 C ATOM 1067 C PRO A 78 -4.743 -7.847 -0.155 1.00 0.00 C ATOM 1068 O PRO A 78 -5.347 -8.304 -1.105 1.00 0.00 O ATOM 1069 CB PRO A 78 -6.529 -6.631 1.137 1.00 0.00 C ATOM 1070 CG PRO A 78 -7.552 -6.104 0.101 1.00 0.00 C ATOM 1071 CD PRO A 78 -6.762 -5.245 -0.906 1.00 0.00 C ATOM 0 HA PRO A 78 -4.362 -6.262 1.189 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -6.745 -7.665 1.404 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -6.573 -6.048 2.057 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.052 -6.931 -0.404 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.327 -5.513 0.589 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.967 -5.546 -1.933 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.026 -4.191 -0.824 1.00 0.00 H new ATOM 1079 N GLY A 79 -3.734 -8.480 0.376 1.00 0.00 N ATOM 1080 CA GLY A 79 -3.297 -9.807 -0.189 1.00 0.00 C ATOM 1081 C GLY A 79 -2.663 -9.633 -1.577 1.00 0.00 C ATOM 1082 O GLY A 79 -2.455 -10.597 -2.286 1.00 0.00 O ATOM 0 H GLY A 79 -3.190 -8.146 1.172 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.580 -10.275 0.486 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.154 -10.477 -0.258 1.00 0.00 H new ATOM 1086 N ASP A 80 -2.348 -8.431 -1.980 1.00 0.00 N ATOM 1087 CA ASP A 80 -1.731 -8.251 -3.324 1.00 0.00 C ATOM 1088 C ASP A 80 -0.288 -8.785 -3.289 1.00 0.00 C ATOM 1089 O ASP A 80 0.418 -8.589 -2.319 1.00 0.00 O ATOM 1090 CB ASP A 80 -1.723 -6.765 -3.684 1.00 0.00 C ATOM 1091 CG ASP A 80 -0.919 -5.987 -2.641 1.00 0.00 C ATOM 1092 OD1 ASP A 80 -0.555 -6.578 -1.638 1.00 0.00 O ATOM 1093 OD2 ASP A 80 -0.682 -4.813 -2.865 1.00 0.00 O ATOM 0 H ASP A 80 -2.490 -7.575 -1.443 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.305 -8.798 -4.072 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.288 -6.623 -4.673 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.744 -6.386 -3.727 1.00 0.00 H new ATOM 1098 N GLU A 81 0.171 -9.452 -4.327 1.00 0.00 N ATOM 1099 CA GLU A 81 1.585 -9.972 -4.288 1.00 0.00 C ATOM 1100 C GLU A 81 2.553 -8.849 -4.700 1.00 0.00 C ATOM 1101 O GLU A 81 3.215 -8.938 -5.715 1.00 0.00 O ATOM 1102 CB GLU A 81 1.763 -11.165 -5.251 1.00 0.00 C ATOM 1103 CG GLU A 81 3.208 -11.667 -5.171 1.00 0.00 C ATOM 1104 CD GLU A 81 3.359 -12.933 -6.016 1.00 0.00 C ATOM 1105 OE1 GLU A 81 2.344 -13.508 -6.372 1.00 0.00 O ATOM 1106 OE2 GLU A 81 4.488 -13.306 -6.291 1.00 0.00 O ATOM 0 H GLU A 81 -0.353 -9.656 -5.178 1.00 0.00 H new ATOM 0 HA GLU A 81 1.799 -10.306 -3.273 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.072 -11.966 -4.988 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.527 -10.862 -6.271 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.892 -10.896 -5.527 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.474 -11.875 -4.135 1.00 0.00 H new ATOM 1113 N ILE A 82 2.646 -7.794 -3.926 1.00 0.00 N ATOM 1114 CA ILE A 82 3.587 -6.678 -4.298 1.00 0.00 C ATOM 1115 C ILE A 82 5.003 -7.244 -4.485 1.00 0.00 C ATOM 1116 O ILE A 82 5.546 -7.862 -3.589 1.00 0.00 O ATOM 1117 CB ILE A 82 3.615 -5.637 -3.175 1.00 0.00 C ATOM 1118 CG1 ILE A 82 2.176 -5.387 -2.677 1.00 0.00 C ATOM 1119 CG2 ILE A 82 4.240 -4.344 -3.711 1.00 0.00 C ATOM 1120 CD1 ILE A 82 1.960 -3.904 -2.337 1.00 0.00 C ATOM 0 H ILE A 82 2.121 -7.653 -3.063 1.00 0.00 H new ATOM 0 HA ILE A 82 3.247 -6.215 -5.224 1.00 0.00 H new ATOM 0 HB ILE A 82 4.213 -5.996 -2.338 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.464 -5.696 -3.442 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.981 -5.998 -1.796 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.265 -3.596 -2.919 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.256 -4.545 -4.052 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.645 -3.970 -4.544 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.938 -3.756 -1.989 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.657 -3.605 -1.554 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.132 -3.298 -3.227 1.00 0.00 H new ATOM 1132 N LEU A 83 5.616 -7.057 -5.633 1.00 0.00 N ATOM 1133 CA LEU A 83 6.994 -7.616 -5.817 1.00 0.00 C ATOM 1134 C LEU A 83 8.059 -6.625 -5.305 1.00 0.00 C ATOM 1135 O LEU A 83 9.014 -7.020 -4.668 1.00 0.00 O ATOM 1136 CB LEU A 83 7.272 -7.923 -7.295 1.00 0.00 C ATOM 1137 CG LEU A 83 5.988 -8.349 -8.016 1.00 0.00 C ATOM 1138 CD1 LEU A 83 5.820 -7.518 -9.290 1.00 0.00 C ATOM 1139 CD2 LEU A 83 6.083 -9.829 -8.392 1.00 0.00 C ATOM 0 H LEU A 83 5.232 -6.553 -6.433 1.00 0.00 H new ATOM 0 HA LEU A 83 7.048 -8.540 -5.241 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.692 -7.042 -7.781 1.00 0.00 H new ATOM 0 HB3 LEU A 83 8.017 -8.715 -7.372 1.00 0.00 H new ATOM 0 HG LEU A 83 5.133 -8.191 -7.358 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.907 -7.820 -9.804 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.757 -6.461 -9.030 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.676 -7.680 -9.945 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.171 -10.133 -8.905 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.938 -9.983 -9.050 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.208 -10.426 -7.489 1.00 0.00 H new ATOM 1151 N GLN A 84 7.918 -5.347 -5.578 1.00 0.00 N ATOM 1152 CA GLN A 84 8.940 -4.369 -5.100 1.00 0.00 C ATOM 1153 C GLN A 84 8.230 -3.103 -4.609 1.00 0.00 C ATOM 1154 O GLN A 84 7.198 -2.713 -5.121 1.00 0.00 O ATOM 1155 CB GLN A 84 9.929 -4.065 -6.252 1.00 0.00 C ATOM 1156 CG GLN A 84 10.267 -2.569 -6.366 1.00 0.00 C ATOM 1157 CD GLN A 84 11.357 -2.214 -5.355 1.00 0.00 C ATOM 1158 OE1 GLN A 84 11.065 -1.855 -4.238 1.00 0.00 O ATOM 1159 NE2 GLN A 84 12.612 -2.299 -5.705 1.00 0.00 N ATOM 0 H GLN A 84 7.144 -4.945 -6.107 1.00 0.00 H new ATOM 0 HA GLN A 84 9.510 -4.781 -4.267 1.00 0.00 H new ATOM 0 HB2 GLN A 84 10.848 -4.630 -6.095 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.500 -4.409 -7.193 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.604 -2.337 -7.376 1.00 0.00 H new ATOM 0 HG3 GLN A 84 9.376 -1.969 -6.182 1.00 0.00 H new ATOM 0 HE21 GLN A 84 12.859 -2.602 -6.647 1.00 0.00 H new ATOM 0 HE22 GLN A 84 13.345 -2.063 -5.036 1.00 0.00 H new ATOM 1168 N LEU A 85 8.780 -2.468 -3.616 1.00 0.00 N ATOM 1169 CA LEU A 85 8.156 -1.226 -3.067 1.00 0.00 C ATOM 1170 C LEU A 85 8.882 -0.011 -3.645 1.00 0.00 C ATOM 1171 O LEU A 85 9.632 -0.123 -4.592 1.00 0.00 O ATOM 1172 CB LEU A 85 8.304 -1.233 -1.541 1.00 0.00 C ATOM 1173 CG LEU A 85 6.940 -1.416 -0.883 1.00 0.00 C ATOM 1174 CD1 LEU A 85 6.123 -0.134 -1.027 1.00 0.00 C ATOM 1175 CD2 LEU A 85 6.206 -2.575 -1.556 1.00 0.00 C ATOM 0 H LEU A 85 9.643 -2.755 -3.154 1.00 0.00 H new ATOM 0 HA LEU A 85 7.100 -1.182 -3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.974 -2.037 -1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.755 -0.298 -1.207 1.00 0.00 H new ATOM 0 HG LEU A 85 7.073 -1.636 0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.149 -0.268 -0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.649 0.689 -0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.986 0.093 -2.084 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.231 -2.709 -1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.073 -2.356 -2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.790 -3.489 -1.445 1.00 0.00 H new ATOM 1187 N GLY A 86 8.685 1.152 -3.088 1.00 0.00 N ATOM 1188 CA GLY A 86 9.397 2.334 -3.620 1.00 0.00 C ATOM 1189 C GLY A 86 10.905 2.121 -3.447 1.00 0.00 C ATOM 1190 O GLY A 86 11.707 2.862 -3.981 1.00 0.00 O ATOM 0 H GLY A 86 8.067 1.329 -2.296 1.00 0.00 H new ATOM 0 HA2 GLY A 86 9.155 2.478 -4.673 1.00 0.00 H new ATOM 0 HA3 GLY A 86 9.080 3.234 -3.093 1.00 0.00 H new ATOM 1194 N GLY A 87 11.310 1.115 -2.700 1.00 0.00 N ATOM 1195 CA GLY A 87 12.785 0.892 -2.515 1.00 0.00 C ATOM 1196 C GLY A 87 13.090 -0.501 -1.934 1.00 0.00 C ATOM 1197 O GLY A 87 14.066 -0.669 -1.235 1.00 0.00 O ATOM 0 H GLY A 87 10.699 0.453 -2.221 1.00 0.00 H new ATOM 0 HA2 GLY A 87 13.291 1.004 -3.474 1.00 0.00 H new ATOM 0 HA3 GLY A 87 13.187 1.657 -1.851 1.00 0.00 H new ATOM 1201 N THR A 88 12.316 -1.515 -2.245 1.00 0.00 N ATOM 1202 CA THR A 88 12.649 -2.876 -1.728 1.00 0.00 C ATOM 1203 C THR A 88 12.035 -3.899 -2.674 1.00 0.00 C ATOM 1204 O THR A 88 10.882 -3.807 -3.047 1.00 0.00 O ATOM 1205 CB THR A 88 12.103 -3.126 -0.300 1.00 0.00 C ATOM 1206 OG1 THR A 88 13.027 -3.957 0.387 1.00 0.00 O ATOM 1207 CG2 THR A 88 10.770 -3.880 -0.356 1.00 0.00 C ATOM 0 H THR A 88 11.480 -1.459 -2.827 1.00 0.00 H new ATOM 0 HA THR A 88 13.734 -2.963 -1.677 1.00 0.00 H new ATOM 0 HB THR A 88 11.963 -2.166 0.197 1.00 0.00 H new ATOM 0 HG1 THR A 88 13.120 -4.808 -0.091 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.403 -4.046 0.657 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.042 -3.291 -0.914 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.916 -4.840 -0.851 1.00 0.00 H new ATOM 1215 N ALA A 89 12.775 -4.882 -3.042 1.00 0.00 N ATOM 1216 CA ALA A 89 12.215 -5.912 -3.941 1.00 0.00 C ATOM 1217 C ALA A 89 12.007 -7.208 -3.164 1.00 0.00 C ATOM 1218 O ALA A 89 12.945 -7.882 -2.798 1.00 0.00 O ATOM 1219 CB ALA A 89 13.171 -6.137 -5.085 1.00 0.00 C ATOM 0 H ALA A 89 13.746 -5.023 -2.763 1.00 0.00 H new ATOM 0 HA ALA A 89 11.254 -5.581 -4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 89 12.766 -6.896 -5.754 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.307 -5.205 -5.634 1.00 0.00 H new ATOM 0 HB3 ALA A 89 14.132 -6.473 -4.695 1.00 0.00 H new ATOM 1225 N MET A 90 10.778 -7.548 -2.903 1.00 0.00 N ATOM 1226 CA MET A 90 10.489 -8.790 -2.134 1.00 0.00 C ATOM 1227 C MET A 90 11.200 -9.980 -2.774 1.00 0.00 C ATOM 1228 O MET A 90 11.945 -10.688 -2.127 1.00 0.00 O ATOM 1229 CB MET A 90 8.979 -9.069 -2.120 1.00 0.00 C ATOM 1230 CG MET A 90 8.181 -7.784 -1.856 1.00 0.00 C ATOM 1231 SD MET A 90 8.973 -6.815 -0.545 1.00 0.00 S ATOM 1232 CE MET A 90 8.394 -5.190 -1.090 1.00 0.00 C ATOM 0 H MET A 90 9.956 -7.017 -3.190 1.00 0.00 H new ATOM 0 HA MET A 90 10.845 -8.650 -1.113 1.00 0.00 H new ATOM 0 HB2 MET A 90 8.677 -9.499 -3.075 1.00 0.00 H new ATOM 0 HB3 MET A 90 8.750 -9.807 -1.352 1.00 0.00 H new ATOM 0 HG2 MET A 90 8.118 -7.192 -2.769 1.00 0.00 H new ATOM 0 HG3 MET A 90 7.160 -8.034 -1.568 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.353 -4.513 -0.236 1.00 0.00 H new ATOM 0 HE2 MET A 90 9.080 -4.791 -1.837 1.00 0.00 H new ATOM 0 HE3 MET A 90 7.399 -5.285 -1.526 1.00 0.00 H new ATOM 1242 N GLN A 91 10.941 -10.242 -4.026 1.00 0.00 N ATOM 1243 CA GLN A 91 11.583 -11.443 -4.669 1.00 0.00 C ATOM 1244 C GLN A 91 13.060 -11.625 -4.267 1.00 0.00 C ATOM 1245 O GLN A 91 13.519 -12.744 -4.150 1.00 0.00 O ATOM 1246 CB GLN A 91 11.427 -11.399 -6.207 1.00 0.00 C ATOM 1247 CG GLN A 91 10.136 -12.118 -6.633 1.00 0.00 C ATOM 1248 CD GLN A 91 9.784 -11.711 -8.065 1.00 0.00 C ATOM 1249 OE1 GLN A 91 8.930 -10.872 -8.279 1.00 0.00 O ATOM 1250 NE2 GLN A 91 10.409 -12.275 -9.061 1.00 0.00 N ATOM 0 H GLN A 91 10.327 -9.694 -4.628 1.00 0.00 H new ATOM 0 HA GLN A 91 11.051 -12.316 -4.291 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.404 -10.364 -6.548 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.288 -11.871 -6.680 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.270 -13.198 -6.571 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.321 -11.859 -5.957 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.125 -12.979 -8.881 1.00 0.00 H new ATOM 0 HE22 GLN A 91 10.182 -12.012 -10.020 1.00 0.00 H new ATOM 1259 N GLY A 92 13.812 -10.590 -4.010 1.00 0.00 N ATOM 1260 CA GLY A 92 15.214 -10.809 -3.580 1.00 0.00 C ATOM 1261 C GLY A 92 15.313 -10.280 -2.162 1.00 0.00 C ATOM 1262 O GLY A 92 16.180 -9.496 -1.838 1.00 0.00 O ATOM 0 H GLY A 92 13.518 -9.616 -4.079 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.472 -11.867 -3.619 1.00 0.00 H new ATOM 0 HA3 GLY A 92 15.908 -10.288 -4.239 1.00 0.00 H new ATOM 1266 N LEU A 93 14.397 -10.682 -1.319 1.00 0.00 N ATOM 1267 CA LEU A 93 14.398 -10.173 0.071 1.00 0.00 C ATOM 1268 C LEU A 93 13.568 -11.105 0.947 1.00 0.00 C ATOM 1269 O LEU A 93 12.621 -11.721 0.500 1.00 0.00 O ATOM 1270 CB LEU A 93 13.754 -8.781 0.083 1.00 0.00 C ATOM 1271 CG LEU A 93 14.720 -7.752 0.664 1.00 0.00 C ATOM 1272 CD1 LEU A 93 15.312 -8.294 1.958 1.00 0.00 C ATOM 1273 CD2 LEU A 93 15.840 -7.473 -0.340 1.00 0.00 C ATOM 0 H LEU A 93 13.651 -11.341 -1.540 1.00 0.00 H new ATOM 0 HA LEU A 93 15.419 -10.123 0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 93 13.474 -8.494 -0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.838 -8.802 0.673 1.00 0.00 H new ATOM 0 HG LEU A 93 14.186 -6.824 0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 93 16.003 -7.562 2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 93 14.511 -8.487 2.672 1.00 0.00 H new ATOM 0 HD13 LEU A 93 15.846 -9.222 1.753 1.00 0.00 H new ATOM 0 HD21 LEU A 93 16.528 -6.738 0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 93 16.379 -8.397 -0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 93 15.412 -7.085 -1.264 1.00 0.00 H new ATOM 1285 N THR A 94 13.904 -11.190 2.193 1.00 0.00 N ATOM 1286 CA THR A 94 13.125 -12.056 3.119 1.00 0.00 C ATOM 1287 C THR A 94 11.875 -11.282 3.537 1.00 0.00 C ATOM 1288 O THR A 94 11.643 -10.189 3.066 1.00 0.00 O ATOM 1289 CB THR A 94 13.975 -12.395 4.348 1.00 0.00 C ATOM 1290 OG1 THR A 94 14.887 -11.339 4.598 1.00 0.00 O ATOM 1291 CG2 THR A 94 14.751 -13.686 4.088 1.00 0.00 C ATOM 0 H THR A 94 14.689 -10.696 2.618 1.00 0.00 H new ATOM 0 HA THR A 94 12.845 -12.989 2.631 1.00 0.00 H new ATOM 0 HB THR A 94 13.326 -12.527 5.214 1.00 0.00 H new ATOM 0 HG1 THR A 94 15.722 -11.506 4.113 1.00 0.00 H new ATOM 0 HG21 THR A 94 15.356 -13.929 4.961 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.051 -14.499 3.894 1.00 0.00 H new ATOM 0 HG23 THR A 94 15.400 -13.552 3.222 1.00 0.00 H new ATOM 1299 N ARG A 95 11.062 -11.820 4.404 1.00 0.00 N ATOM 1300 CA ARG A 95 9.836 -11.065 4.809 1.00 0.00 C ATOM 1301 C ARG A 95 10.236 -9.865 5.671 1.00 0.00 C ATOM 1302 O ARG A 95 9.905 -8.738 5.365 1.00 0.00 O ATOM 1303 CB ARG A 95 8.857 -11.964 5.589 1.00 0.00 C ATOM 1304 CG ARG A 95 7.531 -11.228 5.753 1.00 0.00 C ATOM 1305 CD ARG A 95 7.552 -10.447 7.062 1.00 0.00 C ATOM 1306 NE ARG A 95 7.271 -11.373 8.196 1.00 0.00 N ATOM 1307 CZ ARG A 95 6.388 -11.053 9.104 1.00 0.00 C ATOM 1308 NH1 ARG A 95 6.566 -9.992 9.843 1.00 0.00 N ATOM 1309 NH2 ARG A 95 5.329 -11.798 9.274 1.00 0.00 N ATOM 0 H ARG A 95 11.186 -12.732 4.844 1.00 0.00 H new ATOM 0 HA ARG A 95 9.332 -10.721 3.906 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.703 -12.903 5.058 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.272 -12.214 6.565 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.371 -10.551 4.914 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.704 -11.938 5.752 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.523 -9.971 7.199 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.808 -9.651 7.035 1.00 0.00 H new ATOM 0 HE ARG A 95 7.770 -12.260 8.263 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.395 -9.412 9.712 1.00 0.00 H new ATOM 0 HH12 ARG A 95 5.876 -9.743 10.552 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.192 -12.629 8.698 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.639 -11.549 9.983 1.00 0.00 H new ATOM 1323 N PHE A 96 10.942 -10.089 6.747 1.00 0.00 N ATOM 1324 CA PHE A 96 11.348 -8.946 7.613 1.00 0.00 C ATOM 1325 C PHE A 96 12.311 -8.043 6.844 1.00 0.00 C ATOM 1326 O PHE A 96 12.099 -6.853 6.726 1.00 0.00 O ATOM 1327 CB PHE A 96 12.038 -9.473 8.871 1.00 0.00 C ATOM 1328 CG PHE A 96 11.072 -10.333 9.645 1.00 0.00 C ATOM 1329 CD1 PHE A 96 10.981 -11.702 9.370 1.00 0.00 C ATOM 1330 CD2 PHE A 96 10.264 -9.761 10.633 1.00 0.00 C ATOM 1331 CE1 PHE A 96 10.080 -12.501 10.084 1.00 0.00 C ATOM 1332 CE2 PHE A 96 9.362 -10.559 11.346 1.00 0.00 C ATOM 1333 CZ PHE A 96 9.271 -11.928 11.072 1.00 0.00 C ATOM 0 H PHE A 96 11.253 -11.008 7.062 1.00 0.00 H new ATOM 0 HA PHE A 96 10.463 -8.377 7.899 1.00 0.00 H new ATOM 0 HB2 PHE A 96 12.921 -10.051 8.600 1.00 0.00 H new ATOM 0 HB3 PHE A 96 12.378 -8.642 9.489 1.00 0.00 H new ATOM 0 HD1 PHE A 96 11.606 -12.142 8.607 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.336 -8.705 10.846 1.00 0.00 H new ATOM 0 HE1 PHE A 96 10.009 -13.558 9.873 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.736 -10.118 12.108 1.00 0.00 H new ATOM 0 HZ PHE A 96 8.576 -12.543 11.624 1.00 0.00 H new ATOM 1343 N GLU A 97 13.367 -8.598 6.318 1.00 0.00 N ATOM 1344 CA GLU A 97 14.335 -7.765 5.558 1.00 0.00 C ATOM 1345 C GLU A 97 13.586 -6.947 4.508 1.00 0.00 C ATOM 1346 O GLU A 97 13.880 -5.790 4.283 1.00 0.00 O ATOM 1347 CB GLU A 97 15.356 -8.668 4.876 1.00 0.00 C ATOM 1348 CG GLU A 97 16.073 -9.505 5.931 1.00 0.00 C ATOM 1349 CD GLU A 97 16.763 -8.578 6.934 1.00 0.00 C ATOM 1350 OE1 GLU A 97 17.323 -7.584 6.503 1.00 0.00 O ATOM 1351 OE2 GLU A 97 16.719 -8.880 8.115 1.00 0.00 O ATOM 0 H GLU A 97 13.600 -9.589 6.382 1.00 0.00 H new ATOM 0 HA GLU A 97 14.851 -7.090 6.240 1.00 0.00 H new ATOM 0 HB2 GLU A 97 14.860 -9.318 4.155 1.00 0.00 H new ATOM 0 HB3 GLU A 97 16.076 -8.067 4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.360 -10.149 6.446 1.00 0.00 H new ATOM 0 HG3 GLU A 97 16.807 -10.156 5.457 1.00 0.00 H new ATOM 1358 N ALA A 98 12.619 -7.537 3.861 1.00 0.00 N ATOM 1359 CA ALA A 98 11.859 -6.785 2.822 1.00 0.00 C ATOM 1360 C ALA A 98 11.162 -5.582 3.448 1.00 0.00 C ATOM 1361 O ALA A 98 11.449 -4.448 3.123 1.00 0.00 O ATOM 1362 CB ALA A 98 10.810 -7.698 2.185 1.00 0.00 C ATOM 0 H ALA A 98 12.323 -8.502 4.005 1.00 0.00 H new ATOM 0 HA ALA A 98 12.558 -6.440 2.060 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.257 -7.144 1.426 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.304 -8.552 1.722 1.00 0.00 H new ATOM 0 HB3 ALA A 98 10.120 -8.050 2.952 1.00 0.00 H new ATOM 1368 N TRP A 99 10.241 -5.818 4.331 1.00 0.00 N ATOM 1369 CA TRP A 99 9.511 -4.672 4.964 1.00 0.00 C ATOM 1370 C TRP A 99 10.493 -3.722 5.678 1.00 0.00 C ATOM 1371 O TRP A 99 10.117 -2.647 6.100 1.00 0.00 O ATOM 1372 CB TRP A 99 8.467 -5.210 5.959 1.00 0.00 C ATOM 1373 CG TRP A 99 7.651 -4.084 6.495 1.00 0.00 C ATOM 1374 CD1 TRP A 99 7.290 -3.924 7.790 1.00 0.00 C ATOM 1375 CD2 TRP A 99 7.082 -2.963 5.769 1.00 0.00 C ATOM 1376 NE1 TRP A 99 6.536 -2.769 7.901 1.00 0.00 N ATOM 1377 CE2 TRP A 99 6.381 -2.142 6.681 1.00 0.00 C ATOM 1378 CE3 TRP A 99 7.107 -2.585 4.418 1.00 0.00 C ATOM 1379 CZ2 TRP A 99 5.730 -0.981 6.264 1.00 0.00 C ATOM 1380 CZ3 TRP A 99 6.460 -1.425 3.995 1.00 0.00 C ATOM 1381 CH2 TRP A 99 5.770 -0.619 4.914 1.00 0.00 C ATOM 0 H TRP A 99 9.957 -6.745 4.646 1.00 0.00 H new ATOM 0 HA TRP A 99 9.004 -4.106 4.183 1.00 0.00 H new ATOM 0 HB2 TRP A 99 7.821 -5.936 5.465 1.00 0.00 H new ATOM 0 HB3 TRP A 99 8.965 -5.731 6.776 1.00 0.00 H new ATOM 0 HD1 TRP A 99 7.548 -4.588 8.602 1.00 0.00 H new ATOM 0 HE1 TRP A 99 6.143 -2.423 8.777 1.00 0.00 H new ATOM 0 HE3 TRP A 99 7.632 -3.198 3.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 5.200 -0.367 6.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 6.490 -1.144 2.953 1.00 0.00 H new ATOM 0 HH2 TRP A 99 5.271 0.279 4.579 1.00 0.00 H new ATOM 1392 N ASN A 100 11.743 -4.095 5.818 1.00 0.00 N ATOM 1393 CA ASN A 100 12.717 -3.194 6.507 1.00 0.00 C ATOM 1394 C ASN A 100 13.260 -2.119 5.542 1.00 0.00 C ATOM 1395 O ASN A 100 13.324 -0.958 5.891 1.00 0.00 O ATOM 1396 CB ASN A 100 13.885 -4.021 7.058 1.00 0.00 C ATOM 1397 CG ASN A 100 13.536 -4.535 8.457 1.00 0.00 C ATOM 1398 OD1 ASN A 100 14.260 -4.293 9.403 1.00 0.00 O ATOM 1399 ND2 ASN A 100 12.451 -5.239 8.630 1.00 0.00 N ATOM 0 H ASN A 100 12.128 -4.980 5.487 1.00 0.00 H new ATOM 0 HA ASN A 100 12.198 -2.693 7.324 1.00 0.00 H new ATOM 0 HB2 ASN A 100 14.095 -4.859 6.394 1.00 0.00 H new ATOM 0 HB3 ASN A 100 14.788 -3.412 7.098 1.00 0.00 H new ATOM 0 HD21 ASN A 100 12.211 -5.586 9.559 1.00 0.00 H new ATOM 0 HD22 ASN A 100 11.843 -5.442 7.837 1.00 0.00 H new ATOM 1406 N ILE A 101 13.665 -2.476 4.341 1.00 0.00 N ATOM 1407 CA ILE A 101 14.204 -1.437 3.412 1.00 0.00 C ATOM 1408 C ILE A 101 13.165 -0.337 3.210 1.00 0.00 C ATOM 1409 O ILE A 101 13.489 0.833 3.170 1.00 0.00 O ATOM 1410 CB ILE A 101 14.537 -2.063 2.058 1.00 0.00 C ATOM 1411 CG1 ILE A 101 15.634 -3.109 2.227 1.00 0.00 C ATOM 1412 CG2 ILE A 101 15.006 -0.974 1.100 1.00 0.00 C ATOM 1413 CD1 ILE A 101 14.987 -4.489 2.317 1.00 0.00 C ATOM 0 H ILE A 101 13.645 -3.427 3.973 1.00 0.00 H new ATOM 0 HA ILE A 101 15.109 -1.015 3.848 1.00 0.00 H new ATOM 0 HB ILE A 101 13.647 -2.545 1.653 1.00 0.00 H new ATOM 0 HG12 ILE A 101 16.325 -3.070 1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 101 16.215 -2.905 3.126 1.00 0.00 H new ATOM 0 HG21 ILE A 101 15.244 -1.418 0.133 1.00 0.00 H new ATOM 0 HG22 ILE A 101 14.215 -0.234 0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 101 15.894 -0.490 1.506 1.00 0.00 H new ATOM 0 HD11 ILE A 101 15.761 -5.247 2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 101 14.312 -4.519 3.173 1.00 0.00 H new ATOM 0 HD13 ILE A 101 14.425 -4.687 1.405 1.00 0.00 H new ATOM 1425 N ILE A 102 11.919 -0.696 3.094 1.00 0.00 N ATOM 1426 CA ILE A 102 10.866 0.344 2.911 1.00 0.00 C ATOM 1427 C ILE A 102 10.930 1.293 4.098 1.00 0.00 C ATOM 1428 O ILE A 102 11.216 2.463 3.975 1.00 0.00 O ATOM 1429 CB ILE A 102 9.504 -0.344 2.876 1.00 0.00 C ATOM 1430 CG1 ILE A 102 9.156 -0.702 1.453 1.00 0.00 C ATOM 1431 CG2 ILE A 102 8.400 0.546 3.460 1.00 0.00 C ATOM 1432 CD1 ILE A 102 9.350 -2.194 1.351 1.00 0.00 C ATOM 0 H ILE A 102 11.583 -1.659 3.117 1.00 0.00 H new ATOM 0 HA ILE A 102 11.018 0.896 1.984 1.00 0.00 H new ATOM 0 HB ILE A 102 9.570 -1.244 3.488 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.129 -0.423 1.219 1.00 0.00 H new ATOM 0 HG13 ILE A 102 9.798 -0.174 0.748 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.447 0.019 3.416 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.636 0.785 4.497 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.332 1.468 2.882 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.114 -2.523 0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.386 -2.443 1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.691 -2.696 2.059 1.00 0.00 H new ATOM 1444 N LYS A 103 10.652 0.773 5.249 1.00 0.00 N ATOM 1445 CA LYS A 103 10.679 1.618 6.482 1.00 0.00 C ATOM 1446 C LYS A 103 11.893 2.548 6.451 1.00 0.00 C ATOM 1447 O LYS A 103 11.846 3.672 6.909 1.00 0.00 O ATOM 1448 CB LYS A 103 10.780 0.723 7.719 1.00 0.00 C ATOM 1449 CG LYS A 103 9.496 -0.091 7.867 1.00 0.00 C ATOM 1450 CD LYS A 103 9.211 -0.334 9.351 1.00 0.00 C ATOM 1451 CE LYS A 103 8.865 0.993 10.032 1.00 0.00 C ATOM 1452 NZ LYS A 103 8.562 0.747 11.470 1.00 0.00 N ATOM 0 H LYS A 103 10.405 -0.205 5.400 1.00 0.00 H new ATOM 0 HA LYS A 103 9.763 2.208 6.522 1.00 0.00 H new ATOM 0 HB2 LYS A 103 11.637 0.056 7.629 1.00 0.00 H new ATOM 0 HB3 LYS A 103 10.942 1.332 8.609 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.662 0.440 7.408 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.594 -1.043 7.345 1.00 0.00 H new ATOM 0 HD2 LYS A 103 8.386 -1.038 9.463 1.00 0.00 H new ATOM 0 HD3 LYS A 103 10.081 -0.784 9.830 1.00 0.00 H new ATOM 0 HE2 LYS A 103 9.698 1.690 9.939 1.00 0.00 H new ATOM 0 HE3 LYS A 103 8.007 1.453 9.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 8.327 1.647 11.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 7.755 0.096 11.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 9.393 0.326 11.933 1.00 0.00 H new ATOM 1466 N ALA A 104 12.985 2.070 5.937 1.00 0.00 N ATOM 1467 CA ALA A 104 14.227 2.899 5.892 1.00 0.00 C ATOM 1468 C ALA A 104 14.225 3.840 4.681 1.00 0.00 C ATOM 1469 O ALA A 104 15.143 4.614 4.491 1.00 0.00 O ATOM 1470 CB ALA A 104 15.439 1.973 5.800 1.00 0.00 C ATOM 0 H ALA A 104 13.077 1.134 5.542 1.00 0.00 H new ATOM 0 HA ALA A 104 14.271 3.504 6.798 1.00 0.00 H new ATOM 0 HB1 ALA A 104 16.351 2.569 5.767 1.00 0.00 H new ATOM 0 HB2 ALA A 104 15.465 1.319 6.672 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.367 1.369 4.896 1.00 0.00 H new ATOM 1476 N LEU A 105 13.216 3.784 3.857 1.00 0.00 N ATOM 1477 CA LEU A 105 13.184 4.680 2.660 1.00 0.00 C ATOM 1478 C LEU A 105 13.009 6.138 3.113 1.00 0.00 C ATOM 1479 O LEU A 105 12.849 6.399 4.289 1.00 0.00 O ATOM 1480 CB LEU A 105 12.003 4.264 1.775 1.00 0.00 C ATOM 1481 CG LEU A 105 12.473 3.269 0.709 1.00 0.00 C ATOM 1482 CD1 LEU A 105 11.273 2.820 -0.126 1.00 0.00 C ATOM 1483 CD2 LEU A 105 13.505 3.927 -0.211 1.00 0.00 C ATOM 0 H LEU A 105 12.415 3.161 3.957 1.00 0.00 H new ATOM 0 HA LEU A 105 14.116 4.595 2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 105 11.221 3.813 2.386 1.00 0.00 H new ATOM 0 HB3 LEU A 105 11.568 5.142 1.298 1.00 0.00 H new ATOM 0 HG LEU A 105 12.929 2.410 1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 105 11.603 2.112 -0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 105 10.538 2.341 0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 105 10.821 3.686 -0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 105 13.831 3.210 -0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 105 13.056 4.790 -0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 105 14.363 4.250 0.378 1.00 0.00 H new ATOM 1495 N PRO A 106 13.038 7.049 2.165 1.00 0.00 N ATOM 1496 CA PRO A 106 12.877 8.489 2.442 1.00 0.00 C ATOM 1497 C PRO A 106 11.392 8.854 2.560 1.00 0.00 C ATOM 1498 O PRO A 106 10.525 8.021 2.393 1.00 0.00 O ATOM 1499 CB PRO A 106 13.509 9.158 1.219 1.00 0.00 C ATOM 1500 CG PRO A 106 13.474 8.113 0.079 1.00 0.00 C ATOM 1501 CD PRO A 106 13.258 6.737 0.737 1.00 0.00 C ATOM 0 HA PRO A 106 13.337 8.799 3.380 1.00 0.00 H new ATOM 0 HB2 PRO A 106 12.957 10.056 0.939 1.00 0.00 H new ATOM 0 HB3 PRO A 106 14.533 9.466 1.431 1.00 0.00 H new ATOM 0 HG2 PRO A 106 12.671 8.335 -0.623 1.00 0.00 H new ATOM 0 HG3 PRO A 106 14.405 8.128 -0.487 1.00 0.00 H new ATOM 0 HD2 PRO A 106 12.401 6.219 0.306 1.00 0.00 H new ATOM 0 HD3 PRO A 106 14.124 6.089 0.600 1.00 0.00 H new ATOM 1509 N ASP A 107 11.095 10.093 2.850 1.00 0.00 N ATOM 1510 CA ASP A 107 9.670 10.510 2.987 1.00 0.00 C ATOM 1511 C ASP A 107 9.172 11.119 1.676 1.00 0.00 C ATOM 1512 O ASP A 107 9.308 12.302 1.436 1.00 0.00 O ATOM 1513 CB ASP A 107 9.549 11.548 4.104 1.00 0.00 C ATOM 1514 CG ASP A 107 10.213 11.012 5.373 1.00 0.00 C ATOM 1515 OD1 ASP A 107 11.406 11.219 5.525 1.00 0.00 O ATOM 1516 OD2 ASP A 107 9.519 10.406 6.171 1.00 0.00 O ATOM 0 H ASP A 107 11.779 10.835 2.998 1.00 0.00 H new ATOM 0 HA ASP A 107 9.066 9.635 3.227 1.00 0.00 H new ATOM 0 HB2 ASP A 107 10.022 12.482 3.800 1.00 0.00 H new ATOM 0 HB3 ASP A 107 8.499 11.770 4.296 1.00 0.00 H new ATOM 1521 N GLY A 108 8.590 10.319 0.830 1.00 0.00 N ATOM 1522 CA GLY A 108 8.073 10.850 -0.468 1.00 0.00 C ATOM 1523 C GLY A 108 7.143 9.815 -1.114 1.00 0.00 C ATOM 1524 O GLY A 108 6.510 9.039 -0.428 1.00 0.00 O ATOM 0 H GLY A 108 8.448 9.320 0.977 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.535 11.784 -0.302 1.00 0.00 H new ATOM 0 HA3 GLY A 108 8.904 11.075 -1.137 1.00 0.00 H new ATOM 1528 N PRO A 109 7.097 9.841 -2.423 1.00 0.00 N ATOM 1529 CA PRO A 109 6.262 8.919 -3.215 1.00 0.00 C ATOM 1530 C PRO A 109 6.914 7.541 -3.294 1.00 0.00 C ATOM 1531 O PRO A 109 7.862 7.327 -4.023 1.00 0.00 O ATOM 1532 CB PRO A 109 6.213 9.580 -4.597 1.00 0.00 C ATOM 1533 CG PRO A 109 7.447 10.507 -4.682 1.00 0.00 C ATOM 1534 CD PRO A 109 7.882 10.795 -3.234 1.00 0.00 C ATOM 0 HA PRO A 109 5.272 8.761 -2.786 1.00 0.00 H new ATOM 0 HB2 PRO A 109 6.236 8.830 -5.387 1.00 0.00 H new ATOM 0 HB3 PRO A 109 5.291 10.148 -4.723 1.00 0.00 H new ATOM 0 HG2 PRO A 109 8.252 10.030 -5.241 1.00 0.00 H new ATOM 0 HG3 PRO A 109 7.201 11.432 -5.204 1.00 0.00 H new ATOM 0 HD2 PRO A 109 8.953 10.643 -3.102 1.00 0.00 H new ATOM 0 HD3 PRO A 109 7.670 11.826 -2.952 1.00 0.00 H new ATOM 1542 N VAL A 110 6.395 6.601 -2.558 1.00 0.00 N ATOM 1543 CA VAL A 110 6.958 5.229 -2.595 1.00 0.00 C ATOM 1544 C VAL A 110 6.270 4.492 -3.733 1.00 0.00 C ATOM 1545 O VAL A 110 5.067 4.437 -3.802 1.00 0.00 O ATOM 1546 CB VAL A 110 6.677 4.526 -1.260 1.00 0.00 C ATOM 1547 CG1 VAL A 110 5.315 4.952 -0.727 1.00 0.00 C ATOM 1548 CG2 VAL A 110 6.663 3.010 -1.449 1.00 0.00 C ATOM 0 H VAL A 110 5.601 6.727 -1.930 1.00 0.00 H new ATOM 0 HA VAL A 110 8.037 5.248 -2.750 1.00 0.00 H new ATOM 0 HB VAL A 110 7.463 4.804 -0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.122 4.449 0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 110 5.305 6.031 -0.574 1.00 0.00 H new ATOM 0 HG13 VAL A 110 4.542 4.681 -1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.462 2.526 -0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 110 5.885 2.740 -2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 110 7.632 2.681 -1.826 1.00 0.00 H new ATOM 1558 N THR A 111 7.019 3.947 -4.639 1.00 0.00 N ATOM 1559 CA THR A 111 6.380 3.252 -5.787 1.00 0.00 C ATOM 1560 C THR A 111 6.119 1.785 -5.453 1.00 0.00 C ATOM 1561 O THR A 111 7.000 1.058 -5.038 1.00 0.00 O ATOM 1562 CB THR A 111 7.290 3.340 -7.012 1.00 0.00 C ATOM 1563 OG1 THR A 111 7.825 4.654 -7.106 1.00 0.00 O ATOM 1564 CG2 THR A 111 6.484 3.023 -8.273 1.00 0.00 C ATOM 0 H THR A 111 8.039 3.950 -4.639 1.00 0.00 H new ATOM 0 HA THR A 111 5.427 3.738 -5.999 1.00 0.00 H new ATOM 0 HB THR A 111 8.103 2.621 -6.915 1.00 0.00 H new ATOM 0 HG1 THR A 111 8.411 4.714 -7.890 1.00 0.00 H new ATOM 0 HG21 THR A 111 7.134 3.086 -9.146 1.00 0.00 H new ATOM 0 HG22 THR A 111 6.073 2.016 -8.199 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.670 3.741 -8.374 1.00 0.00 H new ATOM 1572 N ILE A 112 4.905 1.351 -5.646 1.00 0.00 N ATOM 1573 CA ILE A 112 4.552 -0.056 -5.367 1.00 0.00 C ATOM 1574 C ILE A 112 4.281 -0.763 -6.691 1.00 0.00 C ATOM 1575 O ILE A 112 3.866 -0.153 -7.656 1.00 0.00 O ATOM 1576 CB ILE A 112 3.285 -0.109 -4.512 1.00 0.00 C ATOM 1577 CG1 ILE A 112 2.401 1.099 -4.817 1.00 0.00 C ATOM 1578 CG2 ILE A 112 3.656 -0.107 -3.029 1.00 0.00 C ATOM 1579 CD1 ILE A 112 1.086 0.960 -4.059 1.00 0.00 C ATOM 0 H ILE A 112 4.136 1.925 -5.991 1.00 0.00 H new ATOM 0 HA ILE A 112 5.371 -0.541 -4.836 1.00 0.00 H new ATOM 0 HB ILE A 112 2.740 -1.024 -4.746 1.00 0.00 H new ATOM 0 HG12 ILE A 112 2.908 2.019 -4.525 1.00 0.00 H new ATOM 0 HG13 ILE A 112 2.212 1.166 -5.888 1.00 0.00 H new ATOM 0 HG21 ILE A 112 2.748 -0.145 -2.427 1.00 0.00 H new ATOM 0 HG22 ILE A 112 4.275 -0.977 -2.808 1.00 0.00 H new ATOM 0 HG23 ILE A 112 4.210 0.802 -2.794 1.00 0.00 H new ATOM 0 HD11 ILE A 112 0.450 1.819 -4.272 1.00 0.00 H new ATOM 0 HD12 ILE A 112 0.580 0.047 -4.373 1.00 0.00 H new ATOM 0 HD13 ILE A 112 1.286 0.914 -2.989 1.00 0.00 H new ATOM 1591 N VAL A 113 4.485 -2.044 -6.743 1.00 0.00 N ATOM 1592 CA VAL A 113 4.209 -2.781 -8.000 1.00 0.00 C ATOM 1593 C VAL A 113 3.541 -4.090 -7.619 1.00 0.00 C ATOM 1594 O VAL A 113 4.157 -4.975 -7.061 1.00 0.00 O ATOM 1595 CB VAL A 113 5.509 -3.075 -8.745 1.00 0.00 C ATOM 1596 CG1 VAL A 113 5.241 -3.093 -10.251 1.00 0.00 C ATOM 1597 CG2 VAL A 113 6.548 -1.998 -8.423 1.00 0.00 C ATOM 0 H VAL A 113 4.831 -2.613 -5.970 1.00 0.00 H new ATOM 0 HA VAL A 113 3.571 -2.185 -8.652 1.00 0.00 H new ATOM 0 HB VAL A 113 5.891 -4.046 -8.431 1.00 0.00 H new ATOM 0 HG11 VAL A 113 6.169 -3.303 -10.783 1.00 0.00 H new ATOM 0 HG12 VAL A 113 4.508 -3.866 -10.481 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.855 -2.123 -10.563 1.00 0.00 H new ATOM 0 HG21 VAL A 113 7.473 -2.214 -8.958 1.00 0.00 H new ATOM 0 HG22 VAL A 113 6.169 -1.023 -8.731 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.742 -1.989 -7.351 1.00 0.00 H new ATOM 1607 N ILE A 114 2.282 -4.211 -7.884 1.00 0.00 N ATOM 1608 CA ILE A 114 1.578 -5.455 -7.497 1.00 0.00 C ATOM 1609 C ILE A 114 0.969 -6.128 -8.721 1.00 0.00 C ATOM 1610 O ILE A 114 0.441 -5.487 -9.608 1.00 0.00 O ATOM 1611 CB ILE A 114 0.480 -5.110 -6.487 1.00 0.00 C ATOM 1612 CG1 ILE A 114 -0.727 -4.512 -7.216 1.00 0.00 C ATOM 1613 CG2 ILE A 114 1.023 -4.086 -5.489 1.00 0.00 C ATOM 1614 CD1 ILE A 114 -1.628 -5.640 -7.723 1.00 0.00 C ATOM 0 H ILE A 114 1.709 -3.507 -8.350 1.00 0.00 H new ATOM 0 HA ILE A 114 2.290 -6.147 -7.047 1.00 0.00 H new ATOM 0 HB ILE A 114 0.172 -6.015 -5.963 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.285 -3.861 -6.543 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -0.392 -3.896 -8.051 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.247 -3.835 -4.766 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.882 -4.507 -4.967 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.328 -3.185 -6.022 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -2.487 -5.214 -8.242 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.067 -6.273 -8.410 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -1.973 -6.237 -6.879 1.00 0.00 H new ATOM 1626 N ARG A 115 1.021 -7.426 -8.751 1.00 0.00 N ATOM 1627 CA ARG A 115 0.427 -8.173 -9.888 1.00 0.00 C ATOM 1628 C ARG A 115 -0.596 -9.145 -9.305 1.00 0.00 C ATOM 1629 O ARG A 115 -0.248 -10.165 -8.745 1.00 0.00 O ATOM 1630 CB ARG A 115 1.524 -8.940 -10.655 1.00 0.00 C ATOM 1631 CG ARG A 115 0.914 -10.145 -11.382 1.00 0.00 C ATOM 1632 CD ARG A 115 1.667 -10.391 -12.691 1.00 0.00 C ATOM 1633 NE ARG A 115 2.787 -11.342 -12.452 1.00 0.00 N ATOM 1634 CZ ARG A 115 3.961 -11.114 -12.975 1.00 0.00 C ATOM 1635 NH1 ARG A 115 4.628 -10.043 -12.640 1.00 0.00 N ATOM 1636 NH2 ARG A 115 4.468 -11.955 -13.834 1.00 0.00 N ATOM 0 H ARG A 115 1.453 -8.006 -8.031 1.00 0.00 H new ATOM 0 HA ARG A 115 -0.050 -7.491 -10.592 1.00 0.00 H new ATOM 0 HB2 ARG A 115 2.007 -8.278 -11.374 1.00 0.00 H new ATOM 0 HB3 ARG A 115 2.296 -9.276 -9.962 1.00 0.00 H new ATOM 0 HG2 ARG A 115 0.968 -11.030 -10.748 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -0.141 -9.963 -11.586 1.00 0.00 H new ATOM 0 HD2 ARG A 115 0.988 -10.794 -13.442 1.00 0.00 H new ATOM 0 HD3 ARG A 115 2.053 -9.450 -13.083 1.00 0.00 H new ATOM 0 HE ARG A 115 2.637 -12.172 -11.879 1.00 0.00 H new ATOM 0 HH11 ARG A 115 4.232 -9.384 -11.970 1.00 0.00 H new ATOM 0 HH12 ARG A 115 5.545 -9.865 -13.049 1.00 0.00 H new ATOM 0 HH21 ARG A 115 3.947 -12.791 -14.097 1.00 0.00 H new ATOM 0 HH22 ARG A 115 5.385 -11.776 -14.242 1.00 0.00 H new ATOM 1650 N ARG A 116 -1.852 -8.832 -9.418 1.00 0.00 N ATOM 1651 CA ARG A 116 -2.887 -9.734 -8.852 1.00 0.00 C ATOM 1652 C ARG A 116 -3.263 -10.768 -9.914 1.00 0.00 C ATOM 1653 O ARG A 116 -3.759 -10.432 -10.971 1.00 0.00 O ATOM 1654 CB ARG A 116 -4.125 -8.916 -8.478 1.00 0.00 C ATOM 1655 CG ARG A 116 -4.457 -9.128 -7.000 1.00 0.00 C ATOM 1656 CD ARG A 116 -5.969 -9.018 -6.801 1.00 0.00 C ATOM 1657 NE ARG A 116 -6.613 -10.305 -7.185 1.00 0.00 N ATOM 1658 CZ ARG A 116 -6.361 -11.387 -6.504 1.00 0.00 C ATOM 1659 NH1 ARG A 116 -6.370 -11.353 -5.199 1.00 0.00 N ATOM 1660 NH2 ARG A 116 -6.099 -12.503 -7.127 1.00 0.00 N ATOM 0 H ARG A 116 -2.207 -7.993 -9.877 1.00 0.00 H new ATOM 0 HA ARG A 116 -2.504 -10.233 -7.962 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -3.946 -7.858 -8.672 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -4.971 -9.215 -9.097 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -4.106 -10.107 -6.673 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -3.943 -8.385 -6.390 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -6.194 -8.782 -5.761 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -6.368 -8.204 -7.406 1.00 0.00 H new ATOM 0 HE ARG A 116 -7.251 -10.339 -7.980 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -6.574 -10.480 -4.713 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -6.173 -12.200 -4.665 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -6.091 -12.528 -8.147 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -5.902 -13.350 -6.594 1.00 0.00 H new