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 -22:sc= 0.713 USER MOD Single : A 31 CYS SG : rot 180:sc= -4.31! USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0197 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00455 USER MOD Single : A 37 LYS NZ :NH3+ -161:sc= -3.76! (180deg=-5.83!) USER MOD Single : A 45 SER OG : rot 82:sc= -1.35! USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00946 USER MOD Single : A 62 ASN : amide:sc= -2.31! C(o=-2.3!,f=-7.1!) USER MOD Single : A 75 THR OG1 : rot -130:sc= -4.81! USER MOD Single : A 77 GLN : amide:sc= -9.11! C(o=-9.1!,f=-10!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 88 THR OG1 : rot -30:sc= -2.66! USER MOD Single : A 90 MET CE :methyl 148:sc= -12.7! (180deg=-15.3!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 THR OG1 : rot -179:sc= -3.4! USER MOD Single : A 100 ASN : amide:sc= -4.24! C(o=-4.2!,f=-4.6!) 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 -2.393 -9.431 -13.519 1.00 0.00 N ATOM 350 CA THR A 29 -2.451 -7.987 -13.875 1.00 0.00 C ATOM 351 C THR A 29 -1.657 -7.178 -12.851 1.00 0.00 C ATOM 352 O THR A 29 -1.856 -7.301 -11.658 1.00 0.00 O ATOM 353 CB THR A 29 -3.909 -7.520 -13.876 1.00 0.00 C ATOM 354 OG1 THR A 29 -4.621 -8.194 -12.849 1.00 0.00 O ATOM 355 CG2 THR A 29 -4.546 -7.834 -15.230 1.00 0.00 C ATOM 0 HA THR A 29 -2.022 -7.839 -14.866 1.00 0.00 H new ATOM 0 HB THR A 29 -3.946 -6.445 -13.700 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.149 -9.019 -12.611 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.584 -7.501 -15.230 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.999 -7.316 -16.018 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.510 -8.909 -15.409 1.00 0.00 H new ATOM 363 N VAL A 30 -0.759 -6.348 -13.305 1.00 0.00 N ATOM 364 CA VAL A 30 0.045 -5.531 -12.354 1.00 0.00 C ATOM 365 C VAL A 30 -0.543 -4.124 -12.269 1.00 0.00 C ATOM 366 O VAL A 30 -1.083 -3.600 -13.223 1.00 0.00 O ATOM 367 CB VAL A 30 1.499 -5.446 -12.840 1.00 0.00 C ATOM 368 CG1 VAL A 30 2.210 -4.258 -12.176 1.00 0.00 C ATOM 369 CG2 VAL A 30 2.235 -6.737 -12.477 1.00 0.00 C ATOM 0 H VAL A 30 -0.548 -6.200 -14.292 1.00 0.00 H new ATOM 0 HA VAL A 30 0.021 -5.999 -11.370 1.00 0.00 H new ATOM 0 HB VAL A 30 1.502 -5.308 -13.921 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.240 -4.208 -12.528 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.693 -3.334 -12.434 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.202 -4.388 -11.094 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.267 -6.677 -12.822 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.221 -6.872 -11.395 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.742 -7.584 -12.955 1.00 0.00 H new ATOM 379 N CYS A 31 -0.423 -3.511 -11.130 1.00 0.00 N ATOM 380 CA CYS A 31 -0.951 -2.127 -10.962 1.00 0.00 C ATOM 381 C CYS A 31 0.072 -1.306 -10.174 1.00 0.00 C ATOM 382 O CYS A 31 0.014 -1.220 -8.964 1.00 0.00 O ATOM 383 CB CYS A 31 -2.282 -2.162 -10.206 1.00 0.00 C ATOM 384 SG CYS A 31 -3.213 -3.642 -10.676 1.00 0.00 S ATOM 0 H CYS A 31 0.020 -3.908 -10.301 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.118 -1.675 -11.939 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.101 -2.161 -9.131 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.863 -1.268 -10.432 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.341 -3.668 -10.030 1.00 0.00 H new ATOM 390 N THR A 32 1.019 -0.718 -10.853 1.00 0.00 N ATOM 391 CA THR A 32 2.063 0.083 -10.151 1.00 0.00 C ATOM 392 C THR A 32 1.433 1.334 -9.528 1.00 0.00 C ATOM 393 O THR A 32 0.735 2.083 -10.181 1.00 0.00 O ATOM 394 CB THR A 32 3.142 0.495 -11.156 1.00 0.00 C ATOM 395 OG1 THR A 32 3.340 -0.558 -12.090 1.00 0.00 O ATOM 396 CG2 THR A 32 4.452 0.771 -10.415 1.00 0.00 C ATOM 0 H THR A 32 1.115 -0.758 -11.868 1.00 0.00 H new ATOM 0 HA THR A 32 2.509 -0.519 -9.359 1.00 0.00 H new ATOM 0 HB THR A 32 2.826 1.396 -11.681 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.029 -0.297 -12.736 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.220 1.064 -11.131 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.300 1.575 -9.695 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.770 -0.130 -9.890 1.00 0.00 H new ATOM 404 N VAL A 33 1.665 1.552 -8.260 1.00 0.00 N ATOM 405 CA VAL A 33 1.071 2.742 -7.576 1.00 0.00 C ATOM 406 C VAL A 33 2.084 3.344 -6.589 1.00 0.00 C ATOM 407 O VAL A 33 2.999 2.685 -6.157 1.00 0.00 O ATOM 408 CB VAL A 33 -0.170 2.307 -6.787 1.00 0.00 C ATOM 409 CG1 VAL A 33 -1.420 2.877 -7.452 1.00 0.00 C ATOM 410 CG2 VAL A 33 -0.280 0.777 -6.741 1.00 0.00 C ATOM 0 H VAL A 33 2.242 0.956 -7.666 1.00 0.00 H new ATOM 0 HA VAL A 33 0.805 3.483 -8.330 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.080 2.683 -5.768 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.303 2.568 -6.892 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.361 3.965 -7.465 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.490 2.505 -8.474 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.168 0.493 -6.176 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.356 0.387 -7.756 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.605 0.363 -6.258 1.00 0.00 H new ATOM 420 N THR A 34 1.914 4.588 -6.205 1.00 0.00 N ATOM 421 CA THR A 34 2.858 5.193 -5.224 1.00 0.00 C ATOM 422 C THR A 34 2.143 5.428 -3.897 1.00 0.00 C ATOM 423 O THR A 34 1.029 5.911 -3.858 1.00 0.00 O ATOM 424 CB THR A 34 3.387 6.535 -5.734 1.00 0.00 C ATOM 425 OG1 THR A 34 2.448 7.121 -6.622 1.00 0.00 O ATOM 426 CG2 THR A 34 4.740 6.347 -6.424 1.00 0.00 C ATOM 0 H THR A 34 1.167 5.203 -6.528 1.00 0.00 H new ATOM 0 HA THR A 34 3.692 4.504 -5.090 1.00 0.00 H new ATOM 0 HB THR A 34 3.528 7.205 -4.886 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.793 7.980 -6.943 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.103 7.311 -6.781 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.455 5.930 -5.715 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.627 5.666 -7.268 1.00 0.00 H new ATOM 434 N LEU A 35 2.775 5.098 -2.802 1.00 0.00 N ATOM 435 CA LEU A 35 2.108 5.322 -1.478 1.00 0.00 C ATOM 436 C LEU A 35 2.971 6.188 -0.571 1.00 0.00 C ATOM 437 O LEU A 35 3.477 5.718 0.426 1.00 0.00 O ATOM 438 CB LEU A 35 1.880 3.999 -0.784 1.00 0.00 C ATOM 439 CG LEU A 35 0.499 3.462 -1.152 1.00 0.00 C ATOM 440 CD1 LEU A 35 0.264 2.130 -0.439 1.00 0.00 C ATOM 441 CD2 LEU A 35 -0.564 4.471 -0.709 1.00 0.00 C ATOM 0 H LEU A 35 3.709 4.689 -2.762 1.00 0.00 H new ATOM 0 HA LEU A 35 1.159 5.824 -1.667 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.650 3.285 -1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.957 4.125 0.296 1.00 0.00 H new ATOM 0 HG LEU A 35 0.438 3.311 -2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.722 1.746 -0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.026 1.414 -0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.320 2.280 0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.553 4.095 -0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.502 4.615 0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.394 5.423 -1.212 1.00 0.00 H new ATOM 453 N GLU A 36 3.112 7.442 -0.913 1.00 0.00 N ATOM 454 CA GLU A 36 3.938 8.414 -0.110 1.00 0.00 C ATOM 455 C GLU A 36 4.431 7.784 1.196 1.00 0.00 C ATOM 456 O GLU A 36 3.648 7.368 2.028 1.00 0.00 O ATOM 457 CB GLU A 36 3.094 9.647 0.217 1.00 0.00 C ATOM 458 CG GLU A 36 3.668 10.867 -0.505 1.00 0.00 C ATOM 459 CD GLU A 36 4.883 11.391 0.261 1.00 0.00 C ATOM 460 OE1 GLU A 36 5.039 11.021 1.413 1.00 0.00 O ATOM 461 OE2 GLU A 36 5.640 12.154 -0.317 1.00 0.00 O ATOM 0 H GLU A 36 2.678 7.852 -1.740 1.00 0.00 H new ATOM 0 HA GLU A 36 4.807 8.693 -0.706 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.060 9.484 -0.088 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.085 9.819 1.293 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.954 10.599 -1.522 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.910 11.647 -0.582 1.00 0.00 H new ATOM 468 N LYS A 37 5.720 7.702 1.382 1.00 0.00 N ATOM 469 CA LYS A 37 6.244 7.082 2.629 1.00 0.00 C ATOM 470 C LYS A 37 6.121 8.070 3.790 1.00 0.00 C ATOM 471 O LYS A 37 6.985 8.892 4.018 1.00 0.00 O ATOM 472 CB LYS A 37 7.715 6.706 2.439 1.00 0.00 C ATOM 473 CG LYS A 37 7.833 5.581 1.409 1.00 0.00 C ATOM 474 CD LYS A 37 8.861 4.556 1.892 1.00 0.00 C ATOM 475 CE LYS A 37 9.888 4.304 0.787 1.00 0.00 C ATOM 476 NZ LYS A 37 10.629 3.044 1.075 1.00 0.00 N ATOM 0 H LYS A 37 6.428 8.036 0.728 1.00 0.00 H new ATOM 0 HA LYS A 37 5.664 6.186 2.852 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.282 7.576 2.108 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.144 6.388 3.389 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.865 5.101 1.265 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.134 5.987 0.443 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.359 4.921 2.790 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.363 3.624 2.160 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.388 4.232 -0.179 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.583 5.141 0.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.516 3.032 0.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.843 2.992 2.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.045 2.228 0.802 1.00 0.00 H new ATOM 528 N GLY A 41 4.330 3.856 7.896 1.00 0.00 N ATOM 529 CA GLY A 41 4.824 2.842 6.921 1.00 0.00 C ATOM 530 C GLY A 41 3.829 2.713 5.766 1.00 0.00 C ATOM 531 O GLY A 41 3.107 1.742 5.663 1.00 0.00 O ATOM 0 HA2 GLY A 41 5.802 3.135 6.540 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.950 1.879 7.415 1.00 0.00 H new ATOM 535 N LEU A 42 3.790 3.690 4.896 1.00 0.00 N ATOM 536 CA LEU A 42 2.843 3.643 3.734 1.00 0.00 C ATOM 537 C LEU A 42 1.504 3.062 4.170 1.00 0.00 C ATOM 538 O LEU A 42 0.773 2.501 3.379 1.00 0.00 O ATOM 539 CB LEU A 42 3.420 2.792 2.594 1.00 0.00 C ATOM 540 CG LEU A 42 4.818 2.300 2.961 1.00 0.00 C ATOM 541 CD1 LEU A 42 5.336 1.366 1.869 1.00 0.00 C ATOM 542 CD2 LEU A 42 5.763 3.497 3.093 1.00 0.00 C ATOM 0 H LEU A 42 4.376 4.524 4.939 1.00 0.00 H new ATOM 0 HA LEU A 42 2.698 4.662 3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.767 1.942 2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.462 3.379 1.677 1.00 0.00 H new ATOM 0 HG LEU A 42 4.773 1.763 3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.334 1.016 2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.666 0.512 1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.379 1.903 0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.761 3.146 3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.805 4.034 2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.397 4.165 3.873 1.00 0.00 H new ATOM 554 N GLY A 43 1.172 3.193 5.420 1.00 0.00 N ATOM 555 CA GLY A 43 -0.121 2.652 5.903 1.00 0.00 C ATOM 556 C GLY A 43 -0.239 1.181 5.509 1.00 0.00 C ATOM 557 O GLY A 43 -1.309 0.612 5.548 1.00 0.00 O ATOM 0 H GLY A 43 1.743 3.653 6.129 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.188 2.756 6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.947 3.221 5.476 1.00 0.00 H new ATOM 561 N PHE A 44 0.841 0.545 5.136 1.00 0.00 N ATOM 562 CA PHE A 44 0.735 -0.883 4.764 1.00 0.00 C ATOM 563 C PHE A 44 2.044 -1.607 5.069 1.00 0.00 C ATOM 564 O PHE A 44 3.127 -1.078 4.916 1.00 0.00 O ATOM 565 CB PHE A 44 0.348 -1.019 3.281 1.00 0.00 C ATOM 566 CG PHE A 44 1.562 -1.059 2.375 1.00 0.00 C ATOM 567 CD1 PHE A 44 2.448 -2.148 2.405 1.00 0.00 C ATOM 568 CD2 PHE A 44 1.780 -0.014 1.470 1.00 0.00 C ATOM 569 CE1 PHE A 44 3.540 -2.185 1.534 1.00 0.00 C ATOM 570 CE2 PHE A 44 2.875 -0.052 0.606 1.00 0.00 C ATOM 571 CZ PHE A 44 3.751 -1.136 0.635 1.00 0.00 C ATOM 0 H PHE A 44 1.775 0.951 5.076 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.051 -1.350 5.358 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.237 -1.928 3.142 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.289 -0.182 2.995 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.285 -2.957 3.101 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.099 0.824 1.440 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.220 -3.023 1.556 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.044 0.760 -0.086 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.595 -1.165 -0.039 1.00 0.00 H new ATOM 581 N SER A 45 1.924 -2.825 5.497 1.00 0.00 N ATOM 582 CA SER A 45 3.114 -3.660 5.832 1.00 0.00 C ATOM 583 C SER A 45 3.062 -4.929 4.976 1.00 0.00 C ATOM 584 O SER A 45 1.997 -5.440 4.680 1.00 0.00 O ATOM 585 CB SER A 45 3.075 -4.028 7.319 1.00 0.00 C ATOM 586 OG SER A 45 2.636 -5.372 7.464 1.00 0.00 O ATOM 0 H SER A 45 1.029 -3.294 5.634 1.00 0.00 H new ATOM 0 HA SER A 45 4.035 -3.113 5.631 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.064 -3.908 7.760 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.404 -3.355 7.853 1.00 0.00 H new ATOM 0 HG SER A 45 3.390 -5.980 7.315 1.00 0.00 H new ATOM 592 N LEU A 46 4.193 -5.428 4.557 1.00 0.00 N ATOM 593 CA LEU A 46 4.194 -6.646 3.684 1.00 0.00 C ATOM 594 C LEU A 46 4.319 -7.926 4.512 1.00 0.00 C ATOM 595 O LEU A 46 5.022 -7.973 5.502 1.00 0.00 O ATOM 596 CB LEU A 46 5.384 -6.579 2.720 1.00 0.00 C ATOM 597 CG LEU A 46 4.908 -6.253 1.301 1.00 0.00 C ATOM 598 CD1 LEU A 46 3.753 -5.251 1.350 1.00 0.00 C ATOM 599 CD2 LEU A 46 6.074 -5.646 0.517 1.00 0.00 C ATOM 0 H LEU A 46 5.114 -5.050 4.778 1.00 0.00 H new ATOM 0 HA LEU A 46 3.250 -6.668 3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.090 -5.820 3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.915 -7.531 2.722 1.00 0.00 H new ATOM 0 HG LEU A 46 4.562 -7.166 0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.423 -5.027 0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.925 -5.678 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.088 -4.333 1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.748 -5.409 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.410 -4.735 1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.896 -6.361 0.476 1.00 0.00 H new ATOM 611 N GLU A 47 3.662 -8.981 4.094 1.00 0.00 N ATOM 612 CA GLU A 47 3.775 -10.265 4.844 1.00 0.00 C ATOM 613 C GLU A 47 4.088 -11.401 3.870 1.00 0.00 C ATOM 614 O GLU A 47 3.800 -11.326 2.694 1.00 0.00 O ATOM 615 CB GLU A 47 2.471 -10.575 5.562 1.00 0.00 C ATOM 616 CG GLU A 47 2.466 -9.896 6.934 1.00 0.00 C ATOM 617 CD GLU A 47 2.288 -8.388 6.756 1.00 0.00 C ATOM 618 OE1 GLU A 47 1.978 -7.972 5.652 1.00 0.00 O ATOM 619 OE2 GLU A 47 2.466 -7.673 7.729 1.00 0.00 O ATOM 0 H GLU A 47 3.058 -9.006 3.273 1.00 0.00 H new ATOM 0 HA GLU A 47 4.576 -10.171 5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.626 -10.226 4.969 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.355 -11.653 5.678 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.660 -10.298 7.548 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.399 -10.103 7.458 1.00 0.00 H new ATOM 771 N LEU A 59 5.685 -11.836 -0.793 1.00 0.00 N ATOM 772 CA LEU A 59 5.437 -10.778 0.230 1.00 0.00 C ATOM 773 C LEU A 59 4.134 -10.058 -0.134 1.00 0.00 C ATOM 774 O LEU A 59 4.043 -9.412 -1.160 1.00 0.00 O ATOM 775 CB LEU A 59 6.595 -9.781 0.228 1.00 0.00 C ATOM 776 CG LEU A 59 7.535 -10.085 1.393 1.00 0.00 C ATOM 777 CD1 LEU A 59 8.799 -10.768 0.864 1.00 0.00 C ATOM 778 CD2 LEU A 59 7.915 -8.778 2.094 1.00 0.00 C ATOM 0 HA LEU A 59 5.358 -11.222 1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.138 -9.841 -0.715 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.212 -8.764 0.312 1.00 0.00 H new ATOM 0 HG LEU A 59 7.036 -10.746 2.102 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.470 -10.985 1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.528 -11.698 0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.300 -10.108 0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.586 -8.993 2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.415 -8.117 1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.015 -8.292 2.470 1.00 0.00 H new ATOM 790 N THR A 60 3.113 -10.197 0.665 1.00 0.00 N ATOM 791 CA THR A 60 1.814 -9.553 0.315 1.00 0.00 C ATOM 792 C THR A 60 1.406 -8.520 1.385 1.00 0.00 C ATOM 793 O THR A 60 1.793 -8.641 2.531 1.00 0.00 O ATOM 794 CB THR A 60 0.760 -10.648 0.222 1.00 0.00 C ATOM 795 OG1 THR A 60 1.071 -11.672 1.155 1.00 0.00 O ATOM 796 CG2 THR A 60 0.785 -11.203 -1.196 1.00 0.00 C ATOM 0 H THR A 60 3.120 -10.724 1.538 1.00 0.00 H new ATOM 0 HA THR A 60 1.908 -9.026 -0.635 1.00 0.00 H new ATOM 0 HB THR A 60 -0.231 -10.256 0.449 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.395 -12.380 1.101 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.038 -11.991 -1.291 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.562 -10.404 -1.903 1.00 0.00 H new ATOM 0 HG23 THR A 60 1.773 -11.611 -1.409 1.00 0.00 H new ATOM 804 N ILE A 61 0.616 -7.509 1.052 1.00 0.00 N ATOM 805 CA ILE A 61 0.212 -6.532 2.100 1.00 0.00 C ATOM 806 C ILE A 61 -0.864 -7.153 2.970 1.00 0.00 C ATOM 807 O ILE A 61 -1.961 -7.441 2.532 1.00 0.00 O ATOM 808 CB ILE A 61 -0.360 -5.267 1.486 1.00 0.00 C ATOM 809 CG1 ILE A 61 0.740 -4.442 0.823 1.00 0.00 C ATOM 810 CG2 ILE A 61 -0.990 -4.426 2.588 1.00 0.00 C ATOM 811 CD1 ILE A 61 0.144 -3.114 0.339 1.00 0.00 C ATOM 0 H ILE A 61 0.248 -7.332 0.117 1.00 0.00 H new ATOM 0 HA ILE A 61 1.098 -6.279 2.682 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.099 -5.548 0.736 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.549 -4.256 1.529 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.169 -4.990 -0.016 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.404 -3.514 2.158 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.786 -4.994 3.070 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.231 -4.167 3.327 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.923 -2.517 -0.136 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.651 -3.312 -0.380 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.264 -2.567 1.189 1.00 0.00 H new ATOM 823 N ASN A 62 -0.549 -7.347 4.195 1.00 0.00 N ATOM 824 CA ASN A 62 -1.552 -7.946 5.137 1.00 0.00 C ATOM 825 C ASN A 62 -2.078 -6.908 6.133 1.00 0.00 C ATOM 826 O ASN A 62 -3.264 -6.832 6.383 1.00 0.00 O ATOM 827 CB ASN A 62 -0.938 -9.106 5.912 1.00 0.00 C ATOM 828 CG ASN A 62 -1.148 -10.403 5.126 1.00 0.00 C ATOM 829 OD1 ASN A 62 -0.243 -10.891 4.479 1.00 0.00 O ATOM 830 ND2 ASN A 62 -2.316 -10.985 5.148 1.00 0.00 N ATOM 0 H ASN A 62 0.357 -7.123 4.607 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.383 -8.307 4.531 1.00 0.00 H new ATOM 0 HB2 ASN A 62 0.126 -8.931 6.070 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.398 -9.185 6.897 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.466 -11.847 4.623 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.078 -10.578 5.690 1.00 0.00 H new ATOM 837 N ARG A 63 -1.222 -6.126 6.721 1.00 0.00 N ATOM 838 CA ARG A 63 -1.707 -5.126 7.715 1.00 0.00 C ATOM 839 C ARG A 63 -1.783 -3.739 7.082 1.00 0.00 C ATOM 840 O ARG A 63 -0.839 -2.976 7.124 1.00 0.00 O ATOM 841 CB ARG A 63 -0.756 -5.081 8.915 1.00 0.00 C ATOM 842 CG ARG A 63 -1.453 -5.683 10.136 1.00 0.00 C ATOM 843 CD ARG A 63 -0.593 -5.452 11.380 1.00 0.00 C ATOM 844 NE ARG A 63 -0.553 -6.698 12.192 1.00 0.00 N ATOM 845 CZ ARG A 63 -1.650 -7.375 12.401 1.00 0.00 C ATOM 846 NH1 ARG A 63 -2.696 -6.781 12.905 1.00 0.00 N ATOM 847 NH2 ARG A 63 -1.698 -8.644 12.103 1.00 0.00 N ATOM 0 H ARG A 63 -0.215 -6.133 6.561 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.702 -5.423 8.046 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.155 -5.636 8.692 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.461 -4.052 9.121 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.434 -5.227 10.269 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.615 -6.750 9.986 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.417 -5.162 11.089 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.002 -4.633 11.971 1.00 0.00 H new ATOM 0 HE ARG A 63 0.330 -7.023 12.585 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.657 -5.788 13.136 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.553 -7.309 13.068 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.879 -9.106 11.707 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.554 -9.174 12.266 1.00 0.00 H new ATOM 861 N ILE A 64 -2.905 -3.395 6.513 1.00 0.00 N ATOM 862 CA ILE A 64 -3.028 -2.047 5.905 1.00 0.00 C ATOM 863 C ILE A 64 -3.664 -1.102 6.908 1.00 0.00 C ATOM 864 O ILE A 64 -4.532 -1.468 7.674 1.00 0.00 O ATOM 865 CB ILE A 64 -3.861 -2.105 4.630 1.00 0.00 C ATOM 866 CG1 ILE A 64 -3.070 -2.911 3.607 1.00 0.00 C ATOM 867 CG2 ILE A 64 -4.098 -0.681 4.108 1.00 0.00 C ATOM 868 CD1 ILE A 64 -3.268 -2.356 2.194 1.00 0.00 C ATOM 0 H ILE A 64 -3.734 -3.985 6.444 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.035 -1.683 5.642 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.830 -2.569 4.816 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.011 -2.890 3.864 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.385 -3.954 3.639 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.694 -0.722 3.196 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.629 -0.101 4.862 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.140 -0.208 3.894 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.692 -2.951 1.485 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.325 -2.401 1.930 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.929 -1.321 2.159 1.00 0.00 H new ATOM 880 N PHE A 65 -3.217 0.111 6.913 1.00 0.00 N ATOM 881 CA PHE A 65 -3.763 1.108 7.879 1.00 0.00 C ATOM 882 C PHE A 65 -4.711 2.070 7.163 1.00 0.00 C ATOM 883 O PHE A 65 -5.688 2.521 7.726 1.00 0.00 O ATOM 884 CB PHE A 65 -2.607 1.894 8.502 1.00 0.00 C ATOM 885 CG PHE A 65 -1.510 0.927 8.923 1.00 0.00 C ATOM 886 CD1 PHE A 65 -1.825 -0.413 9.214 1.00 0.00 C ATOM 887 CD2 PHE A 65 -0.179 1.363 9.019 1.00 0.00 C ATOM 888 CE1 PHE A 65 -0.813 -1.307 9.600 1.00 0.00 C ATOM 889 CE2 PHE A 65 0.830 0.463 9.405 1.00 0.00 C ATOM 890 CZ PHE A 65 0.511 -0.868 9.694 1.00 0.00 C ATOM 0 H PHE A 65 -2.492 0.465 6.289 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.315 0.585 8.660 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.216 2.616 7.786 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.960 2.459 9.364 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.847 -0.755 9.140 1.00 0.00 H new ATOM 0 HD2 PHE A 65 0.070 2.390 8.796 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.058 -2.335 9.824 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.853 0.800 9.479 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.288 -1.557 9.990 1.00 0.00 H new ATOM 1003 N GLU A 74 -7.558 4.612 -4.519 1.00 0.00 N ATOM 1004 CA GLU A 74 -6.950 3.732 -3.485 1.00 0.00 C ATOM 1005 C GLU A 74 -5.714 3.051 -4.072 1.00 0.00 C ATOM 1006 O GLU A 74 -5.804 2.284 -5.010 1.00 0.00 O ATOM 1007 CB GLU A 74 -7.964 2.671 -3.062 1.00 0.00 C ATOM 1008 CG GLU A 74 -8.550 2.006 -4.309 1.00 0.00 C ATOM 1009 CD GLU A 74 -9.976 2.512 -4.532 1.00 0.00 C ATOM 1010 OE1 GLU A 74 -10.330 3.511 -3.929 1.00 0.00 O ATOM 1011 OE2 GLU A 74 -10.689 1.890 -5.302 1.00 0.00 O ATOM 0 HA GLU A 74 -6.664 4.326 -2.617 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.484 1.924 -2.429 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.759 3.126 -2.471 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.932 2.231 -5.179 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.551 0.922 -4.190 1.00 0.00 H new ATOM 1018 N THR A 75 -4.559 3.332 -3.537 1.00 0.00 N ATOM 1019 CA THR A 75 -3.320 2.709 -4.079 1.00 0.00 C ATOM 1020 C THR A 75 -2.863 1.565 -3.175 1.00 0.00 C ATOM 1021 O THR A 75 -1.692 1.250 -3.094 1.00 0.00 O ATOM 1022 CB THR A 75 -2.230 3.773 -4.163 1.00 0.00 C ATOM 1023 OG1 THR A 75 -1.940 4.258 -2.858 1.00 0.00 O ATOM 1024 CG2 THR A 75 -2.726 4.921 -5.040 1.00 0.00 C ATOM 0 H THR A 75 -4.419 3.965 -2.749 1.00 0.00 H new ATOM 0 HA THR A 75 -3.520 2.304 -5.071 1.00 0.00 H new ATOM 0 HB THR A 75 -1.325 3.345 -4.595 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.959 5.238 -2.861 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.954 5.688 -5.107 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.952 4.545 -6.038 1.00 0.00 H new ATOM 0 HG23 THR A 75 -3.627 5.351 -4.602 1.00 0.00 H new ATOM 1032 N VAL A 76 -3.783 0.932 -2.511 1.00 0.00 N ATOM 1033 CA VAL A 76 -3.416 -0.210 -1.623 1.00 0.00 C ATOM 1034 C VAL A 76 -4.272 -1.424 -1.988 1.00 0.00 C ATOM 1035 O VAL A 76 -5.337 -1.296 -2.558 1.00 0.00 O ATOM 1036 CB VAL A 76 -3.661 0.160 -0.157 1.00 0.00 C ATOM 1037 CG1 VAL A 76 -2.412 0.831 0.420 1.00 0.00 C ATOM 1038 CG2 VAL A 76 -4.847 1.118 -0.061 1.00 0.00 C ATOM 0 H VAL A 76 -4.778 1.154 -2.542 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.360 -0.443 -1.758 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.880 -0.744 0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.589 1.093 1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.568 0.144 0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.189 1.734 -0.148 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.020 1.380 0.983 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.632 2.022 -0.631 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.737 0.637 -0.466 1.00 0.00 H new ATOM 1048 N GLN A 77 -3.817 -2.605 -1.665 1.00 0.00 N ATOM 1049 CA GLN A 77 -4.612 -3.825 -1.996 1.00 0.00 C ATOM 1050 C GLN A 77 -4.467 -4.847 -0.863 1.00 0.00 C ATOM 1051 O GLN A 77 -3.415 -4.956 -0.263 1.00 0.00 O ATOM 1052 CB GLN A 77 -4.116 -4.444 -3.310 1.00 0.00 C ATOM 1053 CG GLN A 77 -2.715 -3.923 -3.650 1.00 0.00 C ATOM 1054 CD GLN A 77 -2.804 -2.470 -4.128 1.00 0.00 C ATOM 1055 OE1 GLN A 77 -1.990 -1.648 -3.758 1.00 0.00 O ATOM 1056 NE2 GLN A 77 -3.765 -2.114 -4.939 1.00 0.00 N ATOM 0 H GLN A 77 -2.932 -2.778 -1.188 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.659 -3.546 -2.111 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.096 -5.530 -3.223 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -4.807 -4.202 -4.117 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.070 -3.988 -2.774 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.264 -4.543 -4.425 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.450 -2.802 -5.251 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.830 -1.148 -5.260 1.00 0.00 H new ATOM 1065 N PRO A 78 -5.535 -5.559 -0.592 1.00 0.00 N ATOM 1066 CA PRO A 78 -5.563 -6.569 0.480 1.00 0.00 C ATOM 1067 C PRO A 78 -4.944 -7.895 0.023 1.00 0.00 C ATOM 1068 O PRO A 78 -5.503 -8.609 -0.785 1.00 0.00 O ATOM 1069 CB PRO A 78 -7.057 -6.750 0.756 1.00 0.00 C ATOM 1070 CG PRO A 78 -7.798 -6.296 -0.525 1.00 0.00 C ATOM 1071 CD PRO A 78 -6.813 -5.417 -1.319 1.00 0.00 C ATOM 0 HA PRO A 78 -4.990 -6.261 1.355 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -7.285 -7.790 0.988 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -7.368 -6.156 1.615 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.112 -7.156 -1.116 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.699 -5.737 -0.273 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.723 -5.753 -2.352 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.141 -4.378 -1.349 1.00 0.00 H new ATOM 1079 N GLY A 79 -3.808 -8.240 0.561 1.00 0.00 N ATOM 1080 CA GLY A 79 -3.163 -9.547 0.179 1.00 0.00 C ATOM 1081 C GLY A 79 -2.646 -9.506 -1.263 1.00 0.00 C ATOM 1082 O GLY A 79 -2.495 -10.532 -1.896 1.00 0.00 O ATOM 0 H GLY A 79 -3.294 -7.684 1.245 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.338 -9.761 0.858 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.884 -10.357 0.287 1.00 0.00 H new ATOM 1086 N ASP A 80 -2.356 -8.348 -1.794 1.00 0.00 N ATOM 1087 CA ASP A 80 -1.835 -8.307 -3.197 1.00 0.00 C ATOM 1088 C ASP A 80 -0.382 -8.797 -3.190 1.00 0.00 C ATOM 1089 O ASP A 80 0.310 -8.676 -2.198 1.00 0.00 O ATOM 1090 CB ASP A 80 -1.886 -6.878 -3.758 1.00 0.00 C ATOM 1091 CG ASP A 80 -2.674 -6.878 -5.071 1.00 0.00 C ATOM 1092 OD1 ASP A 80 -2.260 -7.568 -5.987 1.00 0.00 O ATOM 1093 OD2 ASP A 80 -3.679 -6.189 -5.138 1.00 0.00 O ATOM 0 H ASP A 80 -2.453 -7.444 -1.331 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.454 -8.945 -3.827 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.357 -6.209 -3.038 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.876 -6.505 -3.927 1.00 0.00 H new ATOM 1098 N GLU A 81 0.103 -9.335 -4.281 1.00 0.00 N ATOM 1099 CA GLU A 81 1.531 -9.806 -4.286 1.00 0.00 C ATOM 1100 C GLU A 81 2.438 -8.622 -4.703 1.00 0.00 C ATOM 1101 O GLU A 81 2.677 -8.410 -5.875 1.00 0.00 O ATOM 1102 CB GLU A 81 1.725 -10.964 -5.286 1.00 0.00 C ATOM 1103 CG GLU A 81 3.155 -11.498 -5.167 1.00 0.00 C ATOM 1104 CD GLU A 81 3.418 -12.510 -6.284 1.00 0.00 C ATOM 1105 OE1 GLU A 81 3.736 -12.083 -7.381 1.00 0.00 O ATOM 1106 OE2 GLU A 81 3.298 -13.696 -6.022 1.00 0.00 O ATOM 0 H GLU A 81 -0.410 -9.469 -5.152 1.00 0.00 H new ATOM 0 HA GLU A 81 1.791 -10.162 -3.289 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.009 -11.760 -5.082 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.537 -10.618 -6.302 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.868 -10.676 -5.232 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.299 -11.969 -4.194 1.00 0.00 H new ATOM 1113 N ILE A 82 2.936 -7.841 -3.766 1.00 0.00 N ATOM 1114 CA ILE A 82 3.807 -6.679 -4.130 1.00 0.00 C ATOM 1115 C ILE A 82 5.226 -7.180 -4.446 1.00 0.00 C ATOM 1116 O ILE A 82 5.878 -7.752 -3.598 1.00 0.00 O ATOM 1117 CB ILE A 82 3.889 -5.709 -2.937 1.00 0.00 C ATOM 1118 CG1 ILE A 82 2.512 -5.572 -2.259 1.00 0.00 C ATOM 1119 CG2 ILE A 82 4.362 -4.335 -3.417 1.00 0.00 C ATOM 1120 CD1 ILE A 82 1.648 -4.550 -3.003 1.00 0.00 C ATOM 0 H ILE A 82 2.774 -7.962 -2.766 1.00 0.00 H new ATOM 0 HA ILE A 82 3.385 -6.174 -4.999 1.00 0.00 H new ATOM 0 HB ILE A 82 4.601 -6.107 -2.214 1.00 0.00 H new ATOM 0 HG12 ILE A 82 2.010 -6.539 -2.244 1.00 0.00 H new ATOM 0 HG13 ILE A 82 2.640 -5.263 -1.222 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.418 -3.653 -2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.347 -4.428 -3.873 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.658 -3.944 -4.151 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.679 -4.466 -2.511 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.144 -3.580 -2.995 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.505 -4.876 -4.033 1.00 0.00 H new ATOM 1132 N LEU A 83 5.720 -6.980 -5.646 1.00 0.00 N ATOM 1133 CA LEU A 83 7.107 -7.458 -5.950 1.00 0.00 C ATOM 1134 C LEU A 83 8.139 -6.412 -5.484 1.00 0.00 C ATOM 1135 O LEU A 83 9.145 -6.753 -4.901 1.00 0.00 O ATOM 1136 CB LEU A 83 7.278 -7.701 -7.456 1.00 0.00 C ATOM 1137 CG LEU A 83 6.422 -8.892 -7.924 1.00 0.00 C ATOM 1138 CD1 LEU A 83 6.343 -9.963 -6.831 1.00 0.00 C ATOM 1139 CD2 LEU A 83 5.010 -8.411 -8.265 1.00 0.00 C ATOM 0 H LEU A 83 5.234 -6.516 -6.414 1.00 0.00 H new ATOM 0 HA LEU A 83 7.269 -8.396 -5.418 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.993 -6.805 -8.007 1.00 0.00 H new ATOM 0 HB3 LEU A 83 8.327 -7.893 -7.680 1.00 0.00 H new ATOM 0 HG LEU A 83 6.888 -9.325 -8.809 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.734 -10.796 -7.181 1.00 0.00 H new ATOM 0 HD12 LEU A 83 7.346 -10.320 -6.598 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.893 -9.536 -5.935 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.407 -9.257 -8.596 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.554 -7.964 -7.381 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.061 -7.668 -9.061 1.00 0.00 H new ATOM 1151 N GLN A 84 7.905 -5.145 -5.733 1.00 0.00 N ATOM 1152 CA GLN A 84 8.879 -4.101 -5.295 1.00 0.00 C ATOM 1153 C GLN A 84 8.142 -3.078 -4.425 1.00 0.00 C ATOM 1154 O GLN A 84 6.933 -2.970 -4.478 1.00 0.00 O ATOM 1155 CB GLN A 84 9.462 -3.402 -6.522 1.00 0.00 C ATOM 1156 CG GLN A 84 10.694 -4.162 -7.020 1.00 0.00 C ATOM 1157 CD GLN A 84 10.332 -4.969 -8.268 1.00 0.00 C ATOM 1158 OE1 GLN A 84 10.247 -6.181 -8.220 1.00 0.00 O ATOM 1159 NE2 GLN A 84 10.114 -4.346 -9.395 1.00 0.00 N ATOM 0 H GLN A 84 7.082 -4.791 -6.220 1.00 0.00 H new ATOM 0 HA GLN A 84 9.688 -4.560 -4.726 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.713 -3.350 -7.312 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.733 -2.376 -6.272 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.498 -3.462 -7.248 1.00 0.00 H new ATOM 0 HG3 GLN A 84 11.063 -4.827 -6.239 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.185 -3.329 -9.438 1.00 0.00 H new ATOM 0 HE22 GLN A 84 9.873 -4.876 -10.232 1.00 0.00 H new ATOM 1168 N LEU A 85 8.845 -2.329 -3.616 1.00 0.00 N ATOM 1169 CA LEU A 85 8.148 -1.330 -2.750 1.00 0.00 C ATOM 1170 C LEU A 85 8.883 0.009 -2.767 1.00 0.00 C ATOM 1171 O LEU A 85 9.626 0.320 -1.858 1.00 0.00 O ATOM 1172 CB LEU A 85 8.102 -1.844 -1.318 1.00 0.00 C ATOM 1173 CG LEU A 85 6.750 -1.518 -0.707 1.00 0.00 C ATOM 1174 CD1 LEU A 85 6.354 -2.627 0.272 1.00 0.00 C ATOM 1175 CD2 LEU A 85 6.832 -0.185 0.037 1.00 0.00 C ATOM 0 H LEU A 85 9.860 -2.364 -3.517 1.00 0.00 H new ATOM 0 HA LEU A 85 7.138 -1.187 -3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.271 -2.921 -1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.898 -1.387 -0.730 1.00 0.00 H new ATOM 0 HG LEU A 85 6.002 -1.445 -1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.384 -2.395 0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.294 -3.577 -0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.102 -2.700 1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.861 0.048 0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.579 -0.255 0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.114 0.604 -0.660 1.00 0.00 H new ATOM 1187 N GLY A 86 8.648 0.800 -3.782 1.00 0.00 N ATOM 1188 CA GLY A 86 9.292 2.150 -3.898 1.00 0.00 C ATOM 1189 C GLY A 86 10.593 2.224 -3.096 1.00 0.00 C ATOM 1190 O GLY A 86 10.845 3.190 -2.402 1.00 0.00 O ATOM 0 H GLY A 86 8.024 0.564 -4.553 1.00 0.00 H new ATOM 0 HA2 GLY A 86 9.497 2.367 -4.946 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.601 2.915 -3.543 1.00 0.00 H new ATOM 1194 N GLY A 87 11.426 1.224 -3.180 1.00 0.00 N ATOM 1195 CA GLY A 87 12.715 1.276 -2.403 1.00 0.00 C ATOM 1196 C GLY A 87 13.101 -0.117 -1.884 1.00 0.00 C ATOM 1197 O GLY A 87 13.932 -0.243 -1.008 1.00 0.00 O ATOM 0 H GLY A 87 11.282 0.384 -3.740 1.00 0.00 H new ATOM 0 HA2 GLY A 87 13.511 1.665 -3.038 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.611 1.965 -1.564 1.00 0.00 H new ATOM 1201 N THR A 88 12.528 -1.162 -2.419 1.00 0.00 N ATOM 1202 CA THR A 88 12.885 -2.523 -1.966 1.00 0.00 C ATOM 1203 C THR A 88 12.304 -3.508 -2.979 1.00 0.00 C ATOM 1204 O THR A 88 11.335 -3.222 -3.653 1.00 0.00 O ATOM 1205 CB THR A 88 12.306 -2.802 -0.553 1.00 0.00 C ATOM 1206 OG1 THR A 88 13.186 -3.671 0.141 1.00 0.00 O ATOM 1207 CG2 THR A 88 10.937 -3.486 -0.650 1.00 0.00 C ATOM 0 H THR A 88 11.823 -1.123 -3.156 1.00 0.00 H new ATOM 0 HA THR A 88 13.968 -2.628 -1.901 1.00 0.00 H new ATOM 0 HB THR A 88 12.197 -1.852 -0.030 1.00 0.00 H new ATOM 0 HG1 THR A 88 13.644 -4.254 -0.500 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.551 -3.672 0.352 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.245 -2.841 -1.191 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.040 -4.433 -1.180 1.00 0.00 H new ATOM 1215 N ALA A 89 12.871 -4.662 -3.078 1.00 0.00 N ATOM 1216 CA ALA A 89 12.340 -5.665 -4.028 1.00 0.00 C ATOM 1217 C ALA A 89 11.983 -6.943 -3.270 1.00 0.00 C ATOM 1218 O ALA A 89 12.844 -7.654 -2.795 1.00 0.00 O ATOM 1219 CB ALA A 89 13.389 -5.966 -5.079 1.00 0.00 C ATOM 0 H ALA A 89 13.685 -4.960 -2.540 1.00 0.00 H new ATOM 0 HA ALA A 89 11.446 -5.274 -4.514 1.00 0.00 H new ATOM 0 HB1 ALA A 89 13.000 -6.705 -5.780 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.638 -5.051 -5.617 1.00 0.00 H new ATOM 0 HB3 ALA A 89 14.284 -6.359 -4.597 1.00 0.00 H new ATOM 1225 N MET A 90 10.716 -7.236 -3.151 1.00 0.00 N ATOM 1226 CA MET A 90 10.292 -8.464 -2.419 1.00 0.00 C ATOM 1227 C MET A 90 11.011 -9.684 -2.994 1.00 0.00 C ATOM 1228 O MET A 90 11.246 -10.657 -2.305 1.00 0.00 O ATOM 1229 CB MET A 90 8.781 -8.654 -2.572 1.00 0.00 C ATOM 1230 CG MET A 90 8.048 -7.695 -1.633 1.00 0.00 C ATOM 1231 SD MET A 90 7.750 -6.131 -2.487 1.00 0.00 S ATOM 1232 CE MET A 90 8.819 -5.120 -1.445 1.00 0.00 C ATOM 0 H MET A 90 9.953 -6.675 -3.531 1.00 0.00 H new ATOM 0 HA MET A 90 10.545 -8.356 -1.364 1.00 0.00 H new ATOM 0 HB2 MET A 90 8.483 -8.468 -3.604 1.00 0.00 H new ATOM 0 HB3 MET A 90 8.508 -9.684 -2.342 1.00 0.00 H new ATOM 0 HG2 MET A 90 7.103 -8.133 -1.313 1.00 0.00 H new ATOM 0 HG3 MET A 90 8.641 -7.524 -0.734 1.00 0.00 H new ATOM 0 HE1 MET A 90 9.250 -4.314 -2.039 1.00 0.00 H new ATOM 0 HE2 MET A 90 8.235 -4.696 -0.628 1.00 0.00 H new ATOM 0 HE3 MET A 90 9.619 -5.738 -1.037 1.00 0.00 H new ATOM 1242 N GLN A 91 11.369 -9.643 -4.247 1.00 0.00 N ATOM 1243 CA GLN A 91 12.081 -10.811 -4.846 1.00 0.00 C ATOM 1244 C GLN A 91 13.504 -10.872 -4.253 1.00 0.00 C ATOM 1245 O GLN A 91 14.008 -9.868 -3.790 1.00 0.00 O ATOM 1246 CB GLN A 91 12.136 -10.653 -6.375 1.00 0.00 C ATOM 1247 CG GLN A 91 10.929 -11.352 -7.023 1.00 0.00 C ATOM 1248 CD GLN A 91 11.141 -11.425 -8.536 1.00 0.00 C ATOM 1249 OE1 GLN A 91 11.237 -12.500 -9.096 1.00 0.00 O ATOM 1250 NE2 GLN A 91 11.221 -10.321 -9.225 1.00 0.00 N ATOM 0 H GLN A 91 11.202 -8.860 -4.879 1.00 0.00 H new ATOM 0 HA GLN A 91 11.554 -11.737 -4.617 1.00 0.00 H new ATOM 0 HB2 GLN A 91 12.138 -9.595 -6.639 1.00 0.00 H new ATOM 0 HB3 GLN A 91 13.062 -11.080 -6.759 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.811 -12.354 -6.612 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.013 -10.805 -6.798 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.140 -9.419 -8.755 1.00 0.00 H new ATOM 0 HE22 GLN A 91 11.364 -10.359 -10.234 1.00 0.00 H new ATOM 1259 N GLY A 92 14.166 -12.019 -4.243 1.00 0.00 N ATOM 1260 CA GLY A 92 15.535 -12.062 -3.652 1.00 0.00 C ATOM 1261 C GLY A 92 15.540 -11.273 -2.339 1.00 0.00 C ATOM 1262 O GLY A 92 16.487 -10.582 -2.023 1.00 0.00 O ATOM 0 H GLY A 92 13.817 -12.903 -4.613 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.834 -13.094 -3.471 1.00 0.00 H new ATOM 0 HA3 GLY A 92 16.258 -11.638 -4.348 1.00 0.00 H new ATOM 1266 N LEU A 93 14.481 -11.366 -1.577 1.00 0.00 N ATOM 1267 CA LEU A 93 14.407 -10.623 -0.296 1.00 0.00 C ATOM 1268 C LEU A 93 13.410 -11.329 0.621 1.00 0.00 C ATOM 1269 O LEU A 93 12.351 -11.748 0.199 1.00 0.00 O ATOM 1270 CB LEU A 93 13.928 -9.193 -0.567 1.00 0.00 C ATOM 1271 CG LEU A 93 15.133 -8.251 -0.621 1.00 0.00 C ATOM 1272 CD1 LEU A 93 14.692 -6.884 -1.146 1.00 0.00 C ATOM 1273 CD2 LEU A 93 15.717 -8.091 0.784 1.00 0.00 C ATOM 0 H LEU A 93 13.660 -11.931 -1.794 1.00 0.00 H new ATOM 0 HA LEU A 93 15.389 -10.591 0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 93 13.380 -9.154 -1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 93 13.239 -8.875 0.216 1.00 0.00 H new ATOM 0 HG LEU A 93 15.889 -8.668 -1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.551 -6.214 -1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 93 14.275 -6.996 -2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.935 -6.466 -0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 93 16.575 -7.420 0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 93 14.959 -7.674 1.448 1.00 0.00 H new ATOM 0 HD23 LEU A 93 16.033 -9.064 1.160 1.00 0.00 H new ATOM 1285 N THR A 94 13.741 -11.464 1.868 1.00 0.00 N ATOM 1286 CA THR A 94 12.810 -12.150 2.814 1.00 0.00 C ATOM 1287 C THR A 94 11.563 -11.284 2.996 1.00 0.00 C ATOM 1288 O THR A 94 11.381 -10.299 2.310 1.00 0.00 O ATOM 1289 CB THR A 94 13.494 -12.340 4.172 1.00 0.00 C ATOM 1290 OG1 THR A 94 14.864 -11.972 4.068 1.00 0.00 O ATOM 1291 CG2 THR A 94 13.382 -13.806 4.600 1.00 0.00 C ATOM 0 H THR A 94 14.613 -11.132 2.279 1.00 0.00 H new ATOM 0 HA THR A 94 12.535 -13.125 2.412 1.00 0.00 H new ATOM 0 HB THR A 94 13.008 -11.710 4.917 1.00 0.00 H new ATOM 0 HG1 THR A 94 15.305 -12.107 4.933 1.00 0.00 H new ATOM 0 HG21 THR A 94 13.869 -13.941 5.566 1.00 0.00 H new ATOM 0 HG22 THR A 94 12.331 -14.082 4.681 1.00 0.00 H new ATOM 0 HG23 THR A 94 13.867 -14.440 3.858 1.00 0.00 H new ATOM 1299 N ARG A 95 10.702 -11.634 3.913 1.00 0.00 N ATOM 1300 CA ARG A 95 9.477 -10.801 4.108 1.00 0.00 C ATOM 1301 C ARG A 95 9.838 -9.580 4.947 1.00 0.00 C ATOM 1302 O ARG A 95 9.820 -8.465 4.464 1.00 0.00 O ATOM 1303 CB ARG A 95 8.353 -11.597 4.796 1.00 0.00 C ATOM 1304 CG ARG A 95 7.229 -10.639 5.192 1.00 0.00 C ATOM 1305 CD ARG A 95 7.259 -10.406 6.703 1.00 0.00 C ATOM 1306 NE ARG A 95 7.196 -11.713 7.415 1.00 0.00 N ATOM 1307 CZ ARG A 95 7.371 -11.759 8.708 1.00 0.00 C ATOM 1308 NH1 ARG A 95 7.347 -10.658 9.411 1.00 0.00 N ATOM 1309 NH2 ARG A 95 7.566 -12.906 9.300 1.00 0.00 N ATOM 0 H ARG A 95 10.789 -12.445 4.526 1.00 0.00 H new ATOM 0 HA ARG A 95 9.108 -10.492 3.130 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.972 -12.366 4.124 1.00 0.00 H new ATOM 0 HB3 ARG A 95 8.740 -12.107 5.678 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.344 -9.691 4.666 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.265 -11.053 4.897 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.169 -9.874 6.980 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.419 -9.778 7.000 1.00 0.00 H new ATOM 0 HE ARG A 95 7.016 -12.571 6.893 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.191 -9.762 8.950 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.484 -10.695 10.421 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.582 -13.766 8.752 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.703 -12.942 10.310 1.00 0.00 H new ATOM 1323 N PHE A 96 10.182 -9.765 6.191 1.00 0.00 N ATOM 1324 CA PHE A 96 10.553 -8.586 7.014 1.00 0.00 C ATOM 1325 C PHE A 96 11.703 -7.865 6.312 1.00 0.00 C ATOM 1326 O PHE A 96 11.716 -6.656 6.195 1.00 0.00 O ATOM 1327 CB PHE A 96 10.986 -9.032 8.415 1.00 0.00 C ATOM 1328 CG PHE A 96 11.815 -10.293 8.330 1.00 0.00 C ATOM 1329 CD1 PHE A 96 13.193 -10.211 8.094 1.00 0.00 C ATOM 1330 CD2 PHE A 96 11.208 -11.544 8.496 1.00 0.00 C ATOM 1331 CE1 PHE A 96 13.963 -11.378 8.025 1.00 0.00 C ATOM 1332 CE2 PHE A 96 11.978 -12.711 8.425 1.00 0.00 C ATOM 1333 CZ PHE A 96 13.355 -12.628 8.189 1.00 0.00 C ATOM 0 H PHE A 96 10.222 -10.667 6.665 1.00 0.00 H new ATOM 0 HA PHE A 96 9.698 -7.918 7.122 1.00 0.00 H new ATOM 0 HB2 PHE A 96 11.563 -8.241 8.894 1.00 0.00 H new ATOM 0 HB3 PHE A 96 10.108 -9.207 9.036 1.00 0.00 H new ATOM 0 HD1 PHE A 96 13.662 -9.247 7.965 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.146 -11.609 8.679 1.00 0.00 H new ATOM 0 HE1 PHE A 96 15.026 -11.314 7.845 1.00 0.00 H new ATOM 0 HE2 PHE A 96 11.509 -13.676 8.552 1.00 0.00 H new ATOM 0 HZ PHE A 96 13.949 -13.529 8.133 1.00 0.00 H new ATOM 1343 N GLU A 97 12.662 -8.607 5.833 1.00 0.00 N ATOM 1344 CA GLU A 97 13.817 -7.973 5.123 1.00 0.00 C ATOM 1345 C GLU A 97 13.311 -6.896 4.159 1.00 0.00 C ATOM 1346 O GLU A 97 13.704 -5.752 4.243 1.00 0.00 O ATOM 1347 CB GLU A 97 14.613 -9.026 4.335 1.00 0.00 C ATOM 1348 CG GLU A 97 16.072 -8.922 4.712 1.00 0.00 C ATOM 1349 CD GLU A 97 16.921 -9.711 3.713 1.00 0.00 C ATOM 1350 OE1 GLU A 97 16.965 -10.925 3.831 1.00 0.00 O ATOM 1351 OE2 GLU A 97 17.515 -9.088 2.849 1.00 0.00 O ATOM 0 H GLU A 97 12.700 -9.624 5.900 1.00 0.00 H new ATOM 0 HA GLU A 97 14.470 -7.520 5.869 1.00 0.00 H new ATOM 0 HB2 GLU A 97 14.237 -10.025 4.556 1.00 0.00 H new ATOM 0 HB3 GLU A 97 14.489 -8.868 3.264 1.00 0.00 H new ATOM 0 HG2 GLU A 97 16.381 -7.877 4.721 1.00 0.00 H new ATOM 0 HG3 GLU A 97 16.226 -9.309 5.719 1.00 0.00 H new ATOM 1358 N ALA A 98 12.446 -7.246 3.244 1.00 0.00 N ATOM 1359 CA ALA A 98 11.933 -6.234 2.276 1.00 0.00 C ATOM 1360 C ALA A 98 11.251 -5.091 3.022 1.00 0.00 C ATOM 1361 O ALA A 98 11.659 -3.949 2.948 1.00 0.00 O ATOM 1362 CB ALA A 98 10.924 -6.900 1.339 1.00 0.00 C ATOM 0 H ALA A 98 12.073 -8.188 3.126 1.00 0.00 H new ATOM 0 HA ALA A 98 12.768 -5.834 1.701 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.546 -6.164 0.629 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.411 -7.710 0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 98 10.095 -7.301 1.922 1.00 0.00 H new ATOM 1368 N TRP A 99 10.207 -5.395 3.726 1.00 0.00 N ATOM 1369 CA TRP A 99 9.463 -4.331 4.476 1.00 0.00 C ATOM 1370 C TRP A 99 10.439 -3.462 5.290 1.00 0.00 C ATOM 1371 O TRP A 99 10.153 -2.317 5.580 1.00 0.00 O ATOM 1372 CB TRP A 99 8.449 -5.004 5.408 1.00 0.00 C ATOM 1373 CG TRP A 99 7.658 -3.984 6.163 1.00 0.00 C ATOM 1374 CD1 TRP A 99 7.305 -4.098 7.464 1.00 0.00 C ATOM 1375 CD2 TRP A 99 7.103 -2.717 5.699 1.00 0.00 C ATOM 1376 NE1 TRP A 99 6.569 -2.986 7.828 1.00 0.00 N ATOM 1377 CE2 TRP A 99 6.418 -2.107 6.776 1.00 0.00 C ATOM 1378 CE3 TRP A 99 7.124 -2.041 4.463 1.00 0.00 C ATOM 1379 CZ2 TRP A 99 5.779 -0.878 6.636 1.00 0.00 C ATOM 1380 CZ3 TRP A 99 6.483 -0.801 4.321 1.00 0.00 C ATOM 1381 CH2 TRP A 99 5.811 -0.222 5.405 1.00 0.00 C ATOM 0 H TRP A 99 9.827 -6.337 3.821 1.00 0.00 H new ATOM 0 HA TRP A 99 8.943 -3.683 3.770 1.00 0.00 H new ATOM 0 HB2 TRP A 99 7.776 -5.634 4.826 1.00 0.00 H new ATOM 0 HB3 TRP A 99 8.970 -5.657 6.108 1.00 0.00 H new ATOM 0 HD1 TRP A 99 7.557 -4.924 8.113 1.00 0.00 H new ATOM 0 HE1 TRP A 99 6.185 -2.834 8.761 1.00 0.00 H new ATOM 0 HE3 TRP A 99 7.637 -2.480 3.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 5.262 -0.435 7.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 6.508 -0.290 3.370 1.00 0.00 H new ATOM 0 HH2 TRP A 99 5.318 0.732 5.288 1.00 0.00 H new ATOM 1392 N ASN A 100 11.582 -3.980 5.668 1.00 0.00 N ATOM 1393 CA ASN A 100 12.543 -3.153 6.462 1.00 0.00 C ATOM 1394 C ASN A 100 13.266 -2.145 5.550 1.00 0.00 C ATOM 1395 O ASN A 100 13.307 -0.966 5.837 1.00 0.00 O ATOM 1396 CB ASN A 100 13.573 -4.059 7.144 1.00 0.00 C ATOM 1397 CG ASN A 100 12.848 -5.154 7.927 1.00 0.00 C ATOM 1398 OD1 ASN A 100 11.700 -4.997 8.291 1.00 0.00 O ATOM 1399 ND2 ASN A 100 13.475 -6.266 8.200 1.00 0.00 N ATOM 0 H ASN A 100 11.889 -4.931 5.463 1.00 0.00 H new ATOM 0 HA ASN A 100 11.984 -2.605 7.221 1.00 0.00 H new ATOM 0 HB2 ASN A 100 14.231 -4.505 6.398 1.00 0.00 H new ATOM 0 HB3 ASN A 100 14.202 -3.473 7.814 1.00 0.00 H new ATOM 0 HD21 ASN A 100 13.001 -7.005 8.720 1.00 0.00 H new ATOM 0 HD22 ASN A 100 14.439 -6.396 7.894 1.00 0.00 H new ATOM 1406 N ILE A 101 13.837 -2.589 4.457 1.00 0.00 N ATOM 1407 CA ILE A 101 14.549 -1.641 3.550 1.00 0.00 C ATOM 1408 C ILE A 101 13.652 -0.443 3.267 1.00 0.00 C ATOM 1409 O ILE A 101 14.101 0.685 3.218 1.00 0.00 O ATOM 1410 CB ILE A 101 14.855 -2.345 2.230 1.00 0.00 C ATOM 1411 CG1 ILE A 101 15.884 -3.441 2.459 1.00 0.00 C ATOM 1412 CG2 ILE A 101 15.372 -1.350 1.194 1.00 0.00 C ATOM 1413 CD1 ILE A 101 15.158 -4.779 2.395 1.00 0.00 C ATOM 0 H ILE A 101 13.840 -3.564 4.156 1.00 0.00 H new ATOM 0 HA ILE A 101 15.474 -1.310 4.023 1.00 0.00 H new ATOM 0 HB ILE A 101 13.934 -2.788 1.850 1.00 0.00 H new ATOM 0 HG12 ILE A 101 16.667 -3.394 1.702 1.00 0.00 H new ATOM 0 HG13 ILE A 101 16.368 -3.315 3.427 1.00 0.00 H new ATOM 0 HG21 ILE A 101 15.584 -1.873 0.261 1.00 0.00 H new ATOM 0 HG22 ILE A 101 14.617 -0.584 1.017 1.00 0.00 H new ATOM 0 HG23 ILE A 101 16.285 -0.882 1.563 1.00 0.00 H new ATOM 0 HD11 ILE A 101 15.871 -5.588 2.556 1.00 0.00 H new ATOM 0 HD12 ILE A 101 14.390 -4.813 3.167 1.00 0.00 H new ATOM 0 HD13 ILE A 101 14.693 -4.894 1.416 1.00 0.00 H new ATOM 1425 N ILE A 102 12.388 -0.677 3.078 1.00 0.00 N ATOM 1426 CA ILE A 102 11.466 0.453 2.795 1.00 0.00 C ATOM 1427 C ILE A 102 11.486 1.408 3.986 1.00 0.00 C ATOM 1428 O ILE A 102 11.939 2.532 3.897 1.00 0.00 O ATOM 1429 CB ILE A 102 10.062 -0.105 2.615 1.00 0.00 C ATOM 1430 CG1 ILE A 102 9.915 -0.708 1.239 1.00 0.00 C ATOM 1431 CG2 ILE A 102 9.009 0.986 2.811 1.00 0.00 C ATOM 1432 CD1 ILE A 102 9.669 -2.191 1.450 1.00 0.00 C ATOM 0 H ILE A 102 11.953 -1.599 3.107 1.00 0.00 H new ATOM 0 HA ILE A 102 11.772 0.984 1.893 1.00 0.00 H new ATOM 0 HB ILE A 102 9.907 -0.877 3.369 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.087 -0.249 0.699 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.813 -0.543 0.644 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.015 0.560 2.677 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.095 1.398 3.817 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.166 1.779 2.080 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.554 -2.682 0.484 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.515 -2.628 1.981 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.761 -2.329 2.037 1.00 0.00 H new ATOM 1444 N LYS A 103 10.992 0.955 5.100 1.00 0.00 N ATOM 1445 CA LYS A 103 10.968 1.816 6.320 1.00 0.00 C ATOM 1446 C LYS A 103 12.295 2.559 6.455 1.00 0.00 C ATOM 1447 O LYS A 103 12.363 3.645 6.997 1.00 0.00 O ATOM 1448 CB LYS A 103 10.761 0.942 7.561 1.00 0.00 C ATOM 1449 CG LYS A 103 9.424 0.210 7.462 1.00 0.00 C ATOM 1450 CD LYS A 103 8.353 0.995 8.222 1.00 0.00 C ATOM 1451 CE LYS A 103 8.007 0.262 9.519 1.00 0.00 C ATOM 1452 NZ LYS A 103 8.932 0.705 10.601 1.00 0.00 N ATOM 0 H LYS A 103 10.601 0.021 5.223 1.00 0.00 H new ATOM 0 HA LYS A 103 10.153 2.534 6.231 1.00 0.00 H new ATOM 0 HB2 LYS A 103 11.574 0.222 7.650 1.00 0.00 H new ATOM 0 HB3 LYS A 103 10.782 1.559 8.459 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.135 0.099 6.417 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.516 -0.794 7.876 1.00 0.00 H new ATOM 0 HD2 LYS A 103 8.713 2.000 8.444 1.00 0.00 H new ATOM 0 HD3 LYS A 103 7.461 1.105 7.605 1.00 0.00 H new ATOM 0 HE2 LYS A 103 6.975 0.468 9.801 1.00 0.00 H new ATOM 0 HE3 LYS A 103 8.089 -0.815 9.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 8.698 0.207 11.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 9.912 0.487 10.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 8.832 1.730 10.745 1.00 0.00 H new ATOM 1466 N ALA A 104 13.352 1.972 5.981 1.00 0.00 N ATOM 1467 CA ALA A 104 14.690 2.626 6.093 1.00 0.00 C ATOM 1468 C ALA A 104 14.796 3.795 5.117 1.00 0.00 C ATOM 1469 O ALA A 104 15.315 4.845 5.442 1.00 0.00 O ATOM 1470 CB ALA A 104 15.785 1.605 5.782 1.00 0.00 C ATOM 0 H ALA A 104 13.352 1.063 5.518 1.00 0.00 H new ATOM 0 HA ALA A 104 14.812 3.002 7.109 1.00 0.00 H new ATOM 0 HB1 ALA A 104 16.761 2.082 5.864 1.00 0.00 H new ATOM 0 HB2 ALA A 104 15.724 0.779 6.491 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.651 1.225 4.769 1.00 0.00 H new ATOM 1476 N LEU A 105 14.323 3.620 3.922 1.00 0.00 N ATOM 1477 CA LEU A 105 14.408 4.715 2.915 1.00 0.00 C ATOM 1478 C LEU A 105 13.816 6.005 3.500 1.00 0.00 C ATOM 1479 O LEU A 105 13.325 6.009 4.611 1.00 0.00 O ATOM 1480 CB LEU A 105 13.625 4.294 1.672 1.00 0.00 C ATOM 1481 CG LEU A 105 14.607 3.963 0.547 1.00 0.00 C ATOM 1482 CD1 LEU A 105 14.631 2.451 0.318 1.00 0.00 C ATOM 1483 CD2 LEU A 105 14.170 4.664 -0.741 1.00 0.00 C ATOM 0 H LEU A 105 13.878 2.763 3.593 1.00 0.00 H new ATOM 0 HA LEU A 105 15.449 4.900 2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 105 13.004 3.427 1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 105 12.954 5.095 1.361 1.00 0.00 H new ATOM 0 HG LEU A 105 15.603 4.306 0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.331 2.216 -0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 105 14.945 1.949 1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 105 13.634 2.109 0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 105 14.872 4.426 -1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 105 13.173 4.324 -1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 105 14.154 5.742 -0.581 1.00 0.00 H new ATOM 1495 N PRO A 106 13.883 7.065 2.730 1.00 0.00 N ATOM 1496 CA PRO A 106 13.362 8.381 3.143 1.00 0.00 C ATOM 1497 C PRO A 106 11.841 8.447 2.963 1.00 0.00 C ATOM 1498 O PRO A 106 11.213 7.500 2.534 1.00 0.00 O ATOM 1499 CB PRO A 106 14.066 9.359 2.197 1.00 0.00 C ATOM 1500 CG PRO A 106 14.493 8.537 0.958 1.00 0.00 C ATOM 1501 CD PRO A 106 14.495 7.056 1.384 1.00 0.00 C ATOM 0 HA PRO A 106 13.548 8.600 4.195 1.00 0.00 H new ATOM 0 HB2 PRO A 106 13.399 10.172 1.912 1.00 0.00 H new ATOM 0 HB3 PRO A 106 14.932 9.811 2.680 1.00 0.00 H new ATOM 0 HG2 PRO A 106 13.803 8.700 0.130 1.00 0.00 H new ATOM 0 HG3 PRO A 106 15.482 8.842 0.614 1.00 0.00 H new ATOM 0 HD2 PRO A 106 13.922 6.441 0.690 1.00 0.00 H new ATOM 0 HD3 PRO A 106 15.506 6.650 1.409 1.00 0.00 H new ATOM 1509 N ASP A 107 11.249 9.563 3.294 1.00 0.00 N ATOM 1510 CA ASP A 107 9.772 9.703 3.153 1.00 0.00 C ATOM 1511 C ASP A 107 9.440 10.399 1.831 1.00 0.00 C ATOM 1512 O ASP A 107 9.356 11.608 1.760 1.00 0.00 O ATOM 1513 CB ASP A 107 9.231 10.538 4.315 1.00 0.00 C ATOM 1514 CG ASP A 107 9.586 9.861 5.641 1.00 0.00 C ATOM 1515 OD1 ASP A 107 10.447 8.996 5.631 1.00 0.00 O ATOM 1516 OD2 ASP A 107 8.990 10.219 6.643 1.00 0.00 O ATOM 0 H ASP A 107 11.728 10.387 3.658 1.00 0.00 H new ATOM 0 HA ASP A 107 9.313 8.714 3.163 1.00 0.00 H new ATOM 0 HB2 ASP A 107 9.654 11.542 4.283 1.00 0.00 H new ATOM 0 HB3 ASP A 107 8.150 10.645 4.227 1.00 0.00 H new ATOM 1521 N GLY A 108 9.244 9.647 0.784 1.00 0.00 N ATOM 1522 CA GLY A 108 8.908 10.274 -0.533 1.00 0.00 C ATOM 1523 C GLY A 108 7.869 9.414 -1.260 1.00 0.00 C ATOM 1524 O GLY A 108 7.072 8.744 -0.631 1.00 0.00 O ATOM 0 H GLY A 108 9.301 8.629 0.779 1.00 0.00 H new ATOM 0 HA2 GLY A 108 8.519 11.281 -0.380 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.807 10.369 -1.142 1.00 0.00 H new ATOM 1528 N PRO A 109 7.918 9.453 -2.567 1.00 0.00 N ATOM 1529 CA PRO A 109 6.999 8.680 -3.425 1.00 0.00 C ATOM 1530 C PRO A 109 7.413 7.210 -3.456 1.00 0.00 C ATOM 1531 O PRO A 109 8.297 6.815 -4.189 1.00 0.00 O ATOM 1532 CB PRO A 109 7.164 9.327 -4.803 1.00 0.00 C ATOM 1533 CG PRO A 109 8.537 10.037 -4.791 1.00 0.00 C ATOM 1534 CD PRO A 109 8.898 10.269 -3.313 1.00 0.00 C ATOM 0 HA PRO A 109 5.967 8.697 -3.076 1.00 0.00 H new ATOM 0 HB2 PRO A 109 7.122 8.576 -5.592 1.00 0.00 H new ATOM 0 HB3 PRO A 109 6.361 10.038 -4.997 1.00 0.00 H new ATOM 0 HG2 PRO A 109 9.294 9.426 -5.284 1.00 0.00 H new ATOM 0 HG3 PRO A 109 8.489 10.982 -5.331 1.00 0.00 H new ATOM 0 HD2 PRO A 109 9.920 9.957 -3.099 1.00 0.00 H new ATOM 0 HD3 PRO A 109 8.824 11.323 -3.046 1.00 0.00 H new ATOM 1542 N VAL A 110 6.765 6.396 -2.674 1.00 0.00 N ATOM 1543 CA VAL A 110 7.100 4.954 -2.663 1.00 0.00 C ATOM 1544 C VAL A 110 6.273 4.290 -3.741 1.00 0.00 C ATOM 1545 O VAL A 110 5.069 4.186 -3.638 1.00 0.00 O ATOM 1546 CB VAL A 110 6.764 4.354 -1.298 1.00 0.00 C ATOM 1547 CG1 VAL A 110 5.542 5.045 -0.718 1.00 0.00 C ATOM 1548 CG2 VAL A 110 6.458 2.858 -1.414 1.00 0.00 C ATOM 0 H VAL A 110 6.015 6.672 -2.040 1.00 0.00 H new ATOM 0 HA VAL A 110 8.163 4.802 -2.848 1.00 0.00 H new ATOM 0 HB VAL A 110 7.629 4.497 -0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.307 4.613 0.255 1.00 0.00 H new ATOM 0 HG12 VAL A 110 5.746 6.109 -0.603 1.00 0.00 H new ATOM 0 HG13 VAL A 110 4.694 4.909 -1.389 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.222 2.457 -0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 110 5.606 2.711 -2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 110 7.327 2.339 -1.818 1.00 0.00 H new ATOM 1558 N THR A 111 6.904 3.858 -4.781 1.00 0.00 N ATOM 1559 CA THR A 111 6.141 3.226 -5.880 1.00 0.00 C ATOM 1560 C THR A 111 6.006 1.727 -5.629 1.00 0.00 C ATOM 1561 O THR A 111 6.977 1.009 -5.501 1.00 0.00 O ATOM 1562 CB THR A 111 6.851 3.461 -7.212 1.00 0.00 C ATOM 1563 OG1 THR A 111 7.481 4.733 -7.192 1.00 0.00 O ATOM 1564 CG2 THR A 111 5.825 3.410 -8.346 1.00 0.00 C ATOM 0 H THR A 111 7.913 3.913 -4.921 1.00 0.00 H new ATOM 0 HA THR A 111 5.148 3.673 -5.919 1.00 0.00 H new ATOM 0 HB THR A 111 7.604 2.689 -7.370 1.00 0.00 H new ATOM 0 HG1 THR A 111 7.939 4.885 -8.045 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.327 3.577 -9.299 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.343 2.433 -8.357 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.073 4.184 -8.191 1.00 0.00 H new ATOM 1572 N ILE A 112 4.799 1.263 -5.566 1.00 0.00 N ATOM 1573 CA ILE A 112 4.540 -0.174 -5.328 1.00 0.00 C ATOM 1574 C ILE A 112 4.148 -0.849 -6.638 1.00 0.00 C ATOM 1575 O ILE A 112 3.640 -0.222 -7.548 1.00 0.00 O ATOM 1576 CB ILE A 112 3.397 -0.324 -4.320 1.00 0.00 C ATOM 1577 CG1 ILE A 112 2.459 0.880 -4.404 1.00 0.00 C ATOM 1578 CG2 ILE A 112 3.965 -0.428 -2.904 1.00 0.00 C ATOM 1579 CD1 ILE A 112 1.289 0.681 -3.446 1.00 0.00 C ATOM 0 H ILE A 112 3.960 1.834 -5.672 1.00 0.00 H new ATOM 0 HA ILE A 112 5.442 -0.643 -4.934 1.00 0.00 H new ATOM 0 HB ILE A 112 2.838 -1.230 -4.556 1.00 0.00 H new ATOM 0 HG12 ILE A 112 2.998 1.793 -4.152 1.00 0.00 H new ATOM 0 HG13 ILE A 112 2.092 0.998 -5.424 1.00 0.00 H new ATOM 0 HG21 ILE A 112 3.147 -0.535 -2.191 1.00 0.00 H new ATOM 0 HG22 ILE A 112 4.620 -1.297 -2.838 1.00 0.00 H new ATOM 0 HG23 ILE A 112 4.533 0.473 -2.673 1.00 0.00 H new ATOM 0 HD11 ILE A 112 0.620 1.539 -3.506 1.00 0.00 H new ATOM 0 HD12 ILE A 112 0.745 -0.223 -3.719 1.00 0.00 H new ATOM 0 HD13 ILE A 112 1.665 0.584 -2.428 1.00 0.00 H new ATOM 1591 N VAL A 113 4.362 -2.127 -6.731 1.00 0.00 N ATOM 1592 CA VAL A 113 3.985 -2.858 -7.968 1.00 0.00 C ATOM 1593 C VAL A 113 3.187 -4.087 -7.556 1.00 0.00 C ATOM 1594 O VAL A 113 3.734 -5.134 -7.273 1.00 0.00 O ATOM 1595 CB VAL A 113 5.229 -3.309 -8.731 1.00 0.00 C ATOM 1596 CG1 VAL A 113 5.010 -3.106 -10.232 1.00 0.00 C ATOM 1597 CG2 VAL A 113 6.451 -2.503 -8.280 1.00 0.00 C ATOM 0 H VAL A 113 4.784 -2.700 -6.000 1.00 0.00 H new ATOM 0 HA VAL A 113 3.402 -2.203 -8.616 1.00 0.00 H new ATOM 0 HB VAL A 113 5.406 -4.365 -8.524 1.00 0.00 H new ATOM 0 HG11 VAL A 113 5.898 -3.428 -10.776 1.00 0.00 H new ATOM 0 HG12 VAL A 113 4.152 -3.694 -10.557 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.824 -2.051 -10.433 1.00 0.00 H new ATOM 0 HG21 VAL A 113 7.330 -2.835 -8.832 1.00 0.00 H new ATOM 0 HG22 VAL A 113 6.280 -1.444 -8.473 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.614 -2.655 -7.213 1.00 0.00 H new ATOM 1607 N ILE A 114 1.902 -3.959 -7.500 1.00 0.00 N ATOM 1608 CA ILE A 114 1.057 -5.111 -7.085 1.00 0.00 C ATOM 1609 C ILE A 114 0.659 -5.928 -8.311 1.00 0.00 C ATOM 1610 O ILE A 114 0.205 -5.399 -9.306 1.00 0.00 O ATOM 1611 CB ILE A 114 -0.201 -4.598 -6.375 1.00 0.00 C ATOM 1612 CG1 ILE A 114 -1.189 -4.037 -7.403 1.00 0.00 C ATOM 1613 CG2 ILE A 114 0.182 -3.491 -5.390 1.00 0.00 C ATOM 1614 CD1 ILE A 114 -2.022 -5.179 -7.986 1.00 0.00 C ATOM 0 H ILE A 114 1.392 -3.105 -7.724 1.00 0.00 H new ATOM 0 HA ILE A 114 1.624 -5.744 -6.402 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.667 -5.424 -5.838 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.841 -3.301 -6.933 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -0.650 -3.523 -8.199 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -0.713 -3.127 -4.886 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.879 -3.886 -4.651 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.653 -2.670 -5.931 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -2.725 -4.780 -8.717 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.363 -5.899 -8.471 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -2.573 -5.673 -7.186 1.00 0.00 H new ATOM 1626 N ARG A 115 0.806 -7.218 -8.236 1.00 0.00 N ATOM 1627 CA ARG A 115 0.414 -8.080 -9.383 1.00 0.00 C ATOM 1628 C ARG A 115 -0.668 -9.041 -8.887 1.00 0.00 C ATOM 1629 O ARG A 115 -0.381 -10.049 -8.273 1.00 0.00 O ATOM 1630 CB ARG A 115 1.643 -8.860 -9.903 1.00 0.00 C ATOM 1631 CG ARG A 115 1.222 -10.248 -10.410 1.00 0.00 C ATOM 1632 CD ARG A 115 2.100 -10.652 -11.595 1.00 0.00 C ATOM 1633 NE ARG A 115 3.080 -11.684 -11.156 1.00 0.00 N ATOM 1634 CZ ARG A 115 4.342 -11.552 -11.456 1.00 0.00 C ATOM 1635 NH1 ARG A 115 5.066 -10.647 -10.856 1.00 0.00 N ATOM 1636 NH2 ARG A 115 4.881 -12.325 -12.358 1.00 0.00 N ATOM 0 H ARG A 115 1.182 -7.715 -7.428 1.00 0.00 H new ATOM 0 HA ARG A 115 0.032 -7.479 -10.208 1.00 0.00 H new ATOM 0 HB2 ARG A 115 2.122 -8.302 -10.708 1.00 0.00 H new ATOM 0 HB3 ARG A 115 2.379 -8.965 -9.106 1.00 0.00 H new ATOM 0 HG2 ARG A 115 1.315 -10.982 -9.609 1.00 0.00 H new ATOM 0 HG3 ARG A 115 0.174 -10.234 -10.710 1.00 0.00 H new ATOM 0 HD2 ARG A 115 1.482 -11.042 -12.403 1.00 0.00 H new ATOM 0 HD3 ARG A 115 2.624 -9.780 -11.987 1.00 0.00 H new ATOM 0 HE ARG A 115 2.764 -12.493 -10.621 1.00 0.00 H new ATOM 0 HH11 ARG A 115 4.645 -10.042 -10.151 1.00 0.00 H new ATOM 0 HH12 ARG A 115 6.053 -10.545 -11.092 1.00 0.00 H new ATOM 0 HH21 ARG A 115 4.315 -13.032 -12.828 1.00 0.00 H new ATOM 0 HH22 ARG A 115 5.868 -12.223 -12.593 1.00 0.00 H new ATOM 1650 N ARG A 116 -1.909 -8.733 -9.135 1.00 0.00 N ATOM 1651 CA ARG A 116 -2.996 -9.631 -8.660 1.00 0.00 C ATOM 1652 C ARG A 116 -3.352 -10.622 -9.773 1.00 0.00 C ATOM 1653 O ARG A 116 -3.364 -10.279 -10.938 1.00 0.00 O ATOM 1654 CB ARG A 116 -4.229 -8.791 -8.288 1.00 0.00 C ATOM 1655 CG ARG A 116 -5.038 -8.451 -9.545 1.00 0.00 C ATOM 1656 CD ARG A 116 -6.118 -7.423 -9.202 1.00 0.00 C ATOM 1657 NE ARG A 116 -7.289 -7.615 -10.105 1.00 0.00 N ATOM 1658 CZ ARG A 116 -8.122 -6.632 -10.310 1.00 0.00 C ATOM 1659 NH1 ARG A 116 -8.391 -5.793 -9.347 1.00 0.00 N ATOM 1660 NH2 ARG A 116 -8.691 -6.489 -11.477 1.00 0.00 N ATOM 0 H ARG A 116 -2.217 -7.904 -9.643 1.00 0.00 H new ATOM 0 HA ARG A 116 -2.664 -10.182 -7.780 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -4.853 -9.340 -7.583 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -3.916 -7.874 -7.789 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -4.378 -8.056 -10.318 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -5.497 -9.354 -9.949 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -6.425 -7.535 -8.162 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -5.722 -6.413 -9.311 1.00 0.00 H new ATOM 0 HE ARG A 116 -7.439 -8.514 -10.562 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -7.950 -5.906 -8.434 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -9.042 -5.024 -9.507 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -8.484 -7.146 -12.229 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -9.342 -5.720 -11.636 1.00 0.00 H new