USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=13 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 -27:sc= 0.651 USER MOD Single : A 31 CYS SG : rot 180:sc= -3.97! USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0489 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00146 USER MOD Single : A 37 LYS NZ :NH3+ -128:sc= -0.11 (180deg=-1.28) USER MOD Single : A 45 SER OG : rot 83:sc= 0.0332 USER MOD Single : A 60 THR OG1 : rot -6:sc= 0.261 USER MOD Single : A 62 ASN : amide:sc= -4.61! C(o=-4.6!,f=-6.3!) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0377 USER MOD Single : A 77 GLN : amide:sc= -5.13! C(o=-5.1!,f=-6.2!) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 88 THR OG1 : rot -152:sc= -2.52! USER MOD Single : A 90 MET CE :methyl -141:sc= -22! (180deg=-26.5!) USER MOD Single : A 91 GLN : amide:sc= -1.12! X(o=-1.1!,f=-0.82) USER MOD Single : A 94 THR OG1 : rot -150:sc= -2.08! USER MOD Single : A 100 ASN : amide:sc= -2.85! C(o=-2.8!,f=-3.2!) USER MOD Single : A 103 LYS NZ :NH3+ 129:sc= -0.0193 (180deg=-0.673) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 349 N THR A 29 -4.066 -9.268 -12.958 1.00 0.00 N ATOM 350 CA THR A 29 -4.011 -7.799 -13.212 1.00 0.00 C ATOM 351 C THR A 29 -2.895 -7.174 -12.369 1.00 0.00 C ATOM 352 O THR A 29 -2.595 -7.630 -11.284 1.00 0.00 O ATOM 353 CB THR A 29 -5.351 -7.164 -12.832 1.00 0.00 C ATOM 354 OG1 THR A 29 -5.911 -7.864 -11.730 1.00 0.00 O ATOM 355 CG2 THR A 29 -6.309 -7.233 -14.021 1.00 0.00 C ATOM 0 HA THR A 29 -3.811 -7.622 -14.269 1.00 0.00 H new ATOM 0 HB THR A 29 -5.192 -6.121 -12.558 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.583 -8.787 -11.728 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.262 -6.780 -13.747 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.880 -6.694 -14.866 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.469 -8.275 -14.299 1.00 0.00 H new ATOM 363 N VAL A 30 -2.281 -6.129 -12.858 1.00 0.00 N ATOM 364 CA VAL A 30 -1.190 -5.473 -12.080 1.00 0.00 C ATOM 365 C VAL A 30 -1.649 -4.081 -11.647 1.00 0.00 C ATOM 366 O VAL A 30 -2.431 -3.437 -12.317 1.00 0.00 O ATOM 367 CB VAL A 30 0.065 -5.347 -12.951 1.00 0.00 C ATOM 368 CG1 VAL A 30 1.042 -4.353 -12.314 1.00 0.00 C ATOM 369 CG2 VAL A 30 0.743 -6.714 -13.068 1.00 0.00 C ATOM 0 H VAL A 30 -2.488 -5.702 -13.761 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.958 -6.076 -11.202 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.221 -4.991 -13.941 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.932 -4.267 -12.937 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.564 -3.377 -12.228 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.326 -4.706 -11.323 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.636 -6.626 -13.687 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.023 -7.067 -12.076 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.054 -7.424 -13.525 1.00 0.00 H new ATOM 379 N CYS A 31 -1.163 -3.610 -10.535 1.00 0.00 N ATOM 380 CA CYS A 31 -1.570 -2.255 -10.067 1.00 0.00 C ATOM 381 C CYS A 31 -0.331 -1.477 -9.615 1.00 0.00 C ATOM 382 O CYS A 31 -0.014 -1.424 -8.443 1.00 0.00 O ATOM 383 CB CYS A 31 -2.549 -2.379 -8.894 1.00 0.00 C ATOM 384 SG CYS A 31 -3.598 -3.838 -9.120 1.00 0.00 S ATOM 0 H CYS A 31 -0.504 -4.101 -9.931 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.057 -1.726 -10.886 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.999 -2.457 -7.956 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.166 -1.483 -8.828 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.424 -3.938 -8.121 1.00 0.00 H new ATOM 390 N THR A 32 0.369 -0.867 -10.535 1.00 0.00 N ATOM 391 CA THR A 32 1.581 -0.085 -10.155 1.00 0.00 C ATOM 392 C THR A 32 1.140 1.197 -9.441 1.00 0.00 C ATOM 393 O THR A 32 0.394 1.991 -9.979 1.00 0.00 O ATOM 394 CB THR A 32 2.369 0.276 -11.418 1.00 0.00 C ATOM 395 OG1 THR A 32 2.174 -0.731 -12.401 1.00 0.00 O ATOM 396 CG2 THR A 32 3.858 0.384 -11.084 1.00 0.00 C ATOM 0 H THR A 32 0.154 -0.877 -11.532 1.00 0.00 H new ATOM 0 HA THR A 32 2.213 -0.677 -9.493 1.00 0.00 H new ATOM 0 HB THR A 32 2.017 1.233 -11.802 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.676 -0.500 -13.210 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.415 0.641 -11.985 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.007 1.159 -10.332 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.214 -0.571 -10.697 1.00 0.00 H new ATOM 404 N VAL A 33 1.567 1.390 -8.222 1.00 0.00 N ATOM 405 CA VAL A 33 1.139 2.603 -7.462 1.00 0.00 C ATOM 406 C VAL A 33 2.275 3.127 -6.567 1.00 0.00 C ATOM 407 O VAL A 33 3.216 2.426 -6.268 1.00 0.00 O ATOM 408 CB VAL A 33 -0.049 2.235 -6.565 1.00 0.00 C ATOM 409 CG1 VAL A 33 -1.306 2.915 -7.092 1.00 0.00 C ATOM 410 CG2 VAL A 33 -0.269 0.716 -6.552 1.00 0.00 C ATOM 0 H VAL A 33 2.193 0.761 -7.719 1.00 0.00 H new ATOM 0 HA VAL A 33 0.866 3.378 -8.179 1.00 0.00 H new ATOM 0 HB VAL A 33 0.164 2.569 -5.550 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.153 2.656 -6.457 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.165 3.996 -7.086 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.501 2.580 -8.111 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.116 0.477 -5.910 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.472 0.369 -7.565 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.625 0.222 -6.172 1.00 0.00 H new ATOM 420 N THR A 34 2.171 4.355 -6.112 1.00 0.00 N ATOM 421 CA THR A 34 3.211 4.918 -5.205 1.00 0.00 C ATOM 422 C THR A 34 2.580 5.187 -3.837 1.00 0.00 C ATOM 423 O THR A 34 1.496 5.728 -3.747 1.00 0.00 O ATOM 424 CB THR A 34 3.750 6.236 -5.761 1.00 0.00 C ATOM 425 OG1 THR A 34 2.760 6.861 -6.563 1.00 0.00 O ATOM 426 CG2 THR A 34 5.022 5.991 -6.572 1.00 0.00 C ATOM 0 H THR A 34 1.405 4.990 -6.334 1.00 0.00 H new ATOM 0 HA THR A 34 4.030 4.204 -5.120 1.00 0.00 H new ATOM 0 HB THR A 34 3.997 6.897 -4.930 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.110 7.706 -6.915 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.394 6.939 -6.961 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.780 5.539 -5.932 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.801 5.320 -7.402 1.00 0.00 H new ATOM 434 N LEU A 35 3.235 4.811 -2.772 1.00 0.00 N ATOM 435 CA LEU A 35 2.633 5.055 -1.421 1.00 0.00 C ATOM 436 C LEU A 35 3.441 6.080 -0.630 1.00 0.00 C ATOM 437 O LEU A 35 4.006 5.770 0.399 1.00 0.00 O ATOM 438 CB LEU A 35 2.598 3.759 -0.643 1.00 0.00 C ATOM 439 CG LEU A 35 1.269 3.041 -0.890 1.00 0.00 C ATOM 440 CD1 LEU A 35 0.162 3.738 -0.098 1.00 0.00 C ATOM 441 CD2 LEU A 35 0.924 3.086 -2.381 1.00 0.00 C ATOM 0 H LEU A 35 4.146 4.353 -2.772 1.00 0.00 H new ATOM 0 HA LEU A 35 1.625 5.442 -1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.428 3.121 -0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.721 3.960 0.421 1.00 0.00 H new ATOM 0 HG LEU A 35 1.357 2.003 -0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.786 3.229 -0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.401 3.707 0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.081 4.776 -0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.023 2.573 -2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.838 4.124 -2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.711 2.593 -2.952 1.00 0.00 H new ATOM 453 N GLU A 36 3.473 7.290 -1.105 1.00 0.00 N ATOM 454 CA GLU A 36 4.230 8.395 -0.425 1.00 0.00 C ATOM 455 C GLU A 36 4.472 8.074 1.053 1.00 0.00 C ATOM 456 O GLU A 36 3.577 8.152 1.871 1.00 0.00 O ATOM 457 CB GLU A 36 3.426 9.693 -0.530 1.00 0.00 C ATOM 458 CG GLU A 36 1.951 9.402 -0.247 1.00 0.00 C ATOM 459 CD GLU A 36 1.196 10.718 -0.056 1.00 0.00 C ATOM 460 OE1 GLU A 36 1.697 11.569 0.659 1.00 0.00 O ATOM 461 OE2 GLU A 36 0.126 10.851 -0.628 1.00 0.00 O ATOM 0 H GLU A 36 2.995 7.575 -1.960 1.00 0.00 H new ATOM 0 HA GLU A 36 5.197 8.503 -0.917 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.806 10.427 0.180 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.539 10.124 -1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.516 8.838 -1.072 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.857 8.784 0.646 1.00 0.00 H new ATOM 468 N LYS A 37 5.681 7.717 1.402 1.00 0.00 N ATOM 469 CA LYS A 37 5.969 7.397 2.838 1.00 0.00 C ATOM 470 C LYS A 37 6.128 8.704 3.616 1.00 0.00 C ATOM 471 O LYS A 37 7.019 9.489 3.358 1.00 0.00 O ATOM 472 CB LYS A 37 7.259 6.563 2.977 1.00 0.00 C ATOM 473 CG LYS A 37 7.726 6.591 4.436 1.00 0.00 C ATOM 474 CD LYS A 37 8.232 5.206 4.844 1.00 0.00 C ATOM 475 CE LYS A 37 7.356 4.650 5.967 1.00 0.00 C ATOM 476 NZ LYS A 37 8.222 4.195 7.090 1.00 0.00 N ATOM 0 H LYS A 37 6.474 7.633 0.766 1.00 0.00 H new ATOM 0 HA LYS A 37 5.140 6.812 3.236 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.077 5.536 2.661 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.037 6.964 2.327 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.519 7.329 4.560 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.904 6.894 5.085 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.212 4.533 3.987 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.269 5.269 5.175 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.662 5.415 6.315 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.755 3.819 5.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.975 3.218 7.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.219 4.235 6.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.078 4.815 7.913 1.00 0.00 H new ATOM 528 N GLY A 41 4.943 4.131 7.764 1.00 0.00 N ATOM 529 CA GLY A 41 4.785 2.750 7.225 1.00 0.00 C ATOM 530 C GLY A 41 3.827 2.767 6.034 1.00 0.00 C ATOM 531 O GLY A 41 3.012 1.880 5.872 1.00 0.00 O ATOM 0 HA2 GLY A 41 5.754 2.356 6.919 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.403 2.088 8.002 1.00 0.00 H new ATOM 535 N LEU A 42 3.927 3.769 5.194 1.00 0.00 N ATOM 536 CA LEU A 42 3.030 3.864 3.997 1.00 0.00 C ATOM 537 C LEU A 42 1.632 3.371 4.346 1.00 0.00 C ATOM 538 O LEU A 42 0.910 2.873 3.504 1.00 0.00 O ATOM 539 CB LEU A 42 3.576 3.038 2.821 1.00 0.00 C ATOM 540 CG LEU A 42 4.944 2.443 3.155 1.00 0.00 C ATOM 541 CD1 LEU A 42 5.178 1.199 2.299 1.00 0.00 C ATOM 542 CD2 LEU A 42 6.038 3.470 2.863 1.00 0.00 C ATOM 0 H LEU A 42 4.597 4.532 5.287 1.00 0.00 H new ATOM 0 HA LEU A 42 2.990 4.912 3.699 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.877 2.237 2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.657 3.669 1.936 1.00 0.00 H new ATOM 0 HG LEU A 42 4.972 2.174 4.211 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.153 0.773 2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.401 0.463 2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.147 1.472 1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.012 3.042 3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.010 3.741 1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.873 4.360 3.471 1.00 0.00 H new ATOM 554 N GLY A 43 1.242 3.498 5.579 1.00 0.00 N ATOM 555 CA GLY A 43 -0.109 3.028 5.973 1.00 0.00 C ATOM 556 C GLY A 43 -0.312 1.605 5.456 1.00 0.00 C ATOM 557 O GLY A 43 -1.426 1.145 5.305 1.00 0.00 O ATOM 0 H GLY A 43 1.799 3.906 6.330 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.215 3.053 7.058 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.872 3.690 5.563 1.00 0.00 H new ATOM 561 N PHE A 44 0.755 0.898 5.174 1.00 0.00 N ATOM 562 CA PHE A 44 0.603 -0.487 4.663 1.00 0.00 C ATOM 563 C PHE A 44 1.837 -1.322 5.039 1.00 0.00 C ATOM 564 O PHE A 44 2.962 -0.868 4.969 1.00 0.00 O ATOM 565 CB PHE A 44 0.389 -0.435 3.136 1.00 0.00 C ATOM 566 CG PHE A 44 1.588 -0.929 2.363 1.00 0.00 C ATOM 567 CD1 PHE A 44 1.963 -2.276 2.432 1.00 0.00 C ATOM 568 CD2 PHE A 44 2.296 -0.046 1.543 1.00 0.00 C ATOM 569 CE1 PHE A 44 3.049 -2.738 1.687 1.00 0.00 C ATOM 570 CE2 PHE A 44 3.373 -0.510 0.792 1.00 0.00 C ATOM 571 CZ PHE A 44 3.752 -1.850 0.863 1.00 0.00 C ATOM 0 H PHE A 44 1.716 1.223 5.277 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.265 -0.966 5.116 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.481 -1.038 2.874 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.167 0.590 2.839 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.412 -2.958 3.062 1.00 0.00 H new ATOM 0 HD2 PHE A 44 2.008 0.994 1.492 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.346 -3.775 1.746 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.916 0.170 0.153 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.590 -2.204 0.281 1.00 0.00 H new ATOM 581 N SER A 45 1.614 -2.549 5.412 1.00 0.00 N ATOM 582 CA SER A 45 2.735 -3.471 5.779 1.00 0.00 C ATOM 583 C SER A 45 2.522 -4.736 4.959 1.00 0.00 C ATOM 584 O SER A 45 1.412 -5.005 4.544 1.00 0.00 O ATOM 585 CB SER A 45 2.660 -3.805 7.270 1.00 0.00 C ATOM 586 OG SER A 45 3.376 -5.007 7.521 1.00 0.00 O ATOM 0 H SER A 45 0.685 -2.965 5.481 1.00 0.00 H new ATOM 0 HA SER A 45 3.708 -3.021 5.581 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.080 -2.989 7.858 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.620 -3.917 7.577 1.00 0.00 H new ATOM 0 HG SER A 45 4.331 -4.806 7.614 1.00 0.00 H new ATOM 592 N LEU A 46 3.522 -5.524 4.691 1.00 0.00 N ATOM 593 CA LEU A 46 3.209 -6.727 3.872 1.00 0.00 C ATOM 594 C LEU A 46 3.956 -7.973 4.295 1.00 0.00 C ATOM 595 O LEU A 46 4.933 -7.934 5.016 1.00 0.00 O ATOM 596 CB LEU A 46 3.409 -6.451 2.381 1.00 0.00 C ATOM 597 CG LEU A 46 4.885 -6.315 2.051 1.00 0.00 C ATOM 598 CD1 LEU A 46 5.013 -5.891 0.590 1.00 0.00 C ATOM 599 CD2 LEU A 46 5.507 -5.253 2.953 1.00 0.00 C ATOM 0 H LEU A 46 4.492 -5.402 4.983 1.00 0.00 H new ATOM 0 HA LEU A 46 2.155 -6.936 4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.974 -7.261 1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.884 -5.538 2.102 1.00 0.00 H new ATOM 0 HG LEU A 46 5.400 -7.262 2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.067 -5.787 0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.555 -6.646 -0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.508 -4.936 0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.567 -5.152 2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.007 -4.298 2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.392 -5.549 3.996 1.00 0.00 H new ATOM 611 N GLU A 47 3.455 -9.101 3.847 1.00 0.00 N ATOM 612 CA GLU A 47 4.078 -10.395 4.217 1.00 0.00 C ATOM 613 C GLU A 47 3.932 -11.392 3.078 1.00 0.00 C ATOM 614 O GLU A 47 3.032 -11.313 2.266 1.00 0.00 O ATOM 615 CB GLU A 47 3.375 -10.969 5.446 1.00 0.00 C ATOM 616 CG GLU A 47 3.600 -10.047 6.636 1.00 0.00 C ATOM 617 CD GLU A 47 3.897 -10.882 7.883 1.00 0.00 C ATOM 618 OE1 GLU A 47 3.683 -12.082 7.834 1.00 0.00 O ATOM 619 OE2 GLU A 47 4.334 -10.306 8.865 1.00 0.00 O ATOM 0 H GLU A 47 2.639 -9.172 3.240 1.00 0.00 H new ATOM 0 HA GLU A 47 5.134 -10.223 4.427 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.308 -11.075 5.251 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.759 -11.965 5.666 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.430 -9.370 6.433 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.718 -9.429 6.802 1.00 0.00 H new ATOM 771 N LEU A 59 5.910 -11.624 -1.311 1.00 0.00 N ATOM 772 CA LEU A 59 5.376 -10.791 -0.199 1.00 0.00 C ATOM 773 C LEU A 59 4.090 -10.092 -0.647 1.00 0.00 C ATOM 774 O LEU A 59 4.022 -9.519 -1.717 1.00 0.00 O ATOM 775 CB LEU A 59 6.417 -9.747 0.189 1.00 0.00 C ATOM 776 CG LEU A 59 7.142 -10.224 1.438 1.00 0.00 C ATOM 777 CD1 LEU A 59 8.233 -11.218 1.044 1.00 0.00 C ATOM 778 CD2 LEU A 59 7.763 -9.022 2.154 1.00 0.00 C ATOM 0 HA LEU A 59 5.156 -11.427 0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.125 -9.598 -0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.938 -8.786 0.374 1.00 0.00 H new ATOM 0 HG LEU A 59 6.437 -10.715 2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.753 -11.561 1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.782 -12.071 0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.943 -10.732 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.283 -9.361 3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.471 -8.528 1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.978 -8.320 2.434 1.00 0.00 H new ATOM 790 N THR A 60 3.065 -10.144 0.159 1.00 0.00 N ATOM 791 CA THR A 60 1.780 -9.496 -0.225 1.00 0.00 C ATOM 792 C THR A 60 1.313 -8.588 0.921 1.00 0.00 C ATOM 793 O THR A 60 1.655 -8.832 2.061 1.00 0.00 O ATOM 794 CB THR A 60 0.756 -10.586 -0.477 1.00 0.00 C ATOM 795 OG1 THR A 60 0.770 -11.497 0.611 1.00 0.00 O ATOM 796 CG2 THR A 60 1.148 -11.288 -1.767 1.00 0.00 C ATOM 0 H THR A 60 3.062 -10.608 1.067 1.00 0.00 H new ATOM 0 HA THR A 60 1.905 -8.893 -1.124 1.00 0.00 H new ATOM 0 HB THR A 60 -0.250 -10.175 -0.567 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.501 -11.266 1.222 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.432 -12.081 -1.982 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.150 -10.569 -2.586 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.144 -11.718 -1.659 1.00 0.00 H new ATOM 804 N ILE A 61 0.544 -7.543 0.676 1.00 0.00 N ATOM 805 CA ILE A 61 0.136 -6.705 1.833 1.00 0.00 C ATOM 806 C ILE A 61 -0.797 -7.503 2.742 1.00 0.00 C ATOM 807 O ILE A 61 -1.665 -8.226 2.296 1.00 0.00 O ATOM 808 CB ILE A 61 -0.536 -5.416 1.391 1.00 0.00 C ATOM 809 CG1 ILE A 61 0.490 -4.520 0.704 1.00 0.00 C ATOM 810 CG2 ILE A 61 -1.025 -4.680 2.630 1.00 0.00 C ATOM 811 CD1 ILE A 61 -0.199 -3.263 0.166 1.00 0.00 C ATOM 0 H ILE A 61 0.199 -7.252 -0.239 1.00 0.00 H new ATOM 0 HA ILE A 61 1.036 -6.430 2.382 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.358 -5.646 0.713 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.274 -4.243 1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.970 -5.060 -0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.511 -3.751 2.333 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.737 -5.306 3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.178 -4.455 3.278 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.537 -2.626 -0.324 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.967 -3.548 -0.553 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.658 -2.719 0.991 1.00 0.00 H new ATOM 823 N ASN A 62 -0.596 -7.376 4.018 1.00 0.00 N ATOM 824 CA ASN A 62 -1.426 -8.115 5.008 1.00 0.00 C ATOM 825 C ASN A 62 -2.233 -7.134 5.867 1.00 0.00 C ATOM 826 O ASN A 62 -3.432 -7.271 6.015 1.00 0.00 O ATOM 827 CB ASN A 62 -0.515 -8.984 5.898 1.00 0.00 C ATOM 828 CG ASN A 62 -0.068 -8.208 7.144 1.00 0.00 C ATOM 829 OD1 ASN A 62 -0.837 -8.022 8.067 1.00 0.00 O ATOM 830 ND2 ASN A 62 1.148 -7.742 7.209 1.00 0.00 N ATOM 0 H ASN A 62 0.123 -6.779 4.428 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.126 -8.759 4.477 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.047 -9.887 6.198 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.359 -9.303 5.330 1.00 0.00 H new ATOM 0 HD21 ASN A 62 1.452 -7.223 8.033 1.00 0.00 H new ATOM 0 HD22 ASN A 62 1.795 -7.897 6.436 1.00 0.00 H new ATOM 837 N ARG A 63 -1.590 -6.155 6.448 1.00 0.00 N ATOM 838 CA ARG A 63 -2.333 -5.195 7.299 1.00 0.00 C ATOM 839 C ARG A 63 -2.257 -3.795 6.703 1.00 0.00 C ATOM 840 O ARG A 63 -1.342 -3.042 6.962 1.00 0.00 O ATOM 841 CB ARG A 63 -1.745 -5.194 8.718 1.00 0.00 C ATOM 842 CG ARG A 63 -0.264 -4.796 8.678 1.00 0.00 C ATOM 843 CD ARG A 63 0.380 -5.095 10.033 1.00 0.00 C ATOM 844 NE ARG A 63 1.389 -4.042 10.346 1.00 0.00 N ATOM 845 CZ ARG A 63 1.681 -3.763 11.588 1.00 0.00 C ATOM 846 NH1 ARG A 63 1.415 -4.623 12.531 1.00 0.00 N ATOM 847 NH2 ARG A 63 2.241 -2.622 11.885 1.00 0.00 N ATOM 0 H ARG A 63 -0.588 -5.984 6.367 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.379 -5.500 7.345 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.299 -4.499 9.348 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.851 -6.183 9.164 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.250 -5.345 7.890 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.167 -3.736 8.443 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.382 -5.126 10.811 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.856 -6.076 10.013 1.00 0.00 H new ATOM 0 HE ARG A 63 1.852 -3.539 9.589 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.978 -5.515 12.299 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.644 -4.404 13.501 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.450 -1.949 11.147 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.469 -2.403 12.855 1.00 0.00 H new ATOM 861 N ILE A 64 -3.226 -3.429 5.918 1.00 0.00 N ATOM 862 CA ILE A 64 -3.207 -2.070 5.338 1.00 0.00 C ATOM 863 C ILE A 64 -4.044 -1.167 6.228 1.00 0.00 C ATOM 864 O ILE A 64 -4.909 -1.614 6.954 1.00 0.00 O ATOM 865 CB ILE A 64 -3.724 -2.099 3.893 1.00 0.00 C ATOM 866 CG1 ILE A 64 -2.540 -1.934 2.969 1.00 0.00 C ATOM 867 CG2 ILE A 64 -4.693 -0.954 3.604 1.00 0.00 C ATOM 868 CD1 ILE A 64 -2.955 -2.285 1.553 1.00 0.00 C ATOM 0 H ILE A 64 -4.023 -4.009 5.656 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.190 -1.681 5.296 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.247 -3.043 3.742 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.173 -0.908 3.009 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.721 -2.578 3.290 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.032 -1.016 2.570 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.551 -1.026 4.272 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.188 -0.001 3.764 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.103 -2.167 0.884 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -3.301 -3.318 1.521 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.760 -1.623 1.235 1.00 0.00 H new ATOM 880 N PHE A 65 -3.773 0.095 6.190 1.00 0.00 N ATOM 881 CA PHE A 65 -4.533 1.031 7.063 1.00 0.00 C ATOM 882 C PHE A 65 -5.196 2.120 6.221 1.00 0.00 C ATOM 883 O PHE A 65 -4.566 3.072 5.808 1.00 0.00 O ATOM 884 CB PHE A 65 -3.577 1.671 8.078 1.00 0.00 C ATOM 885 CG PHE A 65 -2.499 0.666 8.473 1.00 0.00 C ATOM 886 CD1 PHE A 65 -2.835 -0.678 8.705 1.00 0.00 C ATOM 887 CD2 PHE A 65 -1.162 1.075 8.594 1.00 0.00 C ATOM 888 CE1 PHE A 65 -1.838 -1.605 9.055 1.00 0.00 C ATOM 889 CE2 PHE A 65 -0.168 0.145 8.946 1.00 0.00 C ATOM 890 CZ PHE A 65 -0.509 -1.190 9.175 1.00 0.00 C ATOM 0 H PHE A 65 -3.063 0.525 5.598 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.309 0.476 7.591 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.118 2.561 7.648 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.130 1.992 8.961 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.862 -1.000 8.614 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.896 2.107 8.416 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.099 -2.638 9.231 1.00 0.00 H new ATOM 0 HE2 PHE A 65 0.860 0.463 9.039 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.256 -1.903 9.445 1.00 0.00 H new ATOM 1003 N GLU A 74 -7.373 4.191 -4.009 1.00 0.00 N ATOM 1004 CA GLU A 74 -7.144 2.739 -4.273 1.00 0.00 C ATOM 1005 C GLU A 74 -5.666 2.496 -4.578 1.00 0.00 C ATOM 1006 O GLU A 74 -5.323 1.755 -5.477 1.00 0.00 O ATOM 1007 CB GLU A 74 -7.988 2.299 -5.470 1.00 0.00 C ATOM 1008 CG GLU A 74 -9.066 1.324 -5.000 1.00 0.00 C ATOM 1009 CD GLU A 74 -9.582 0.521 -6.196 1.00 0.00 C ATOM 1010 OE1 GLU A 74 -8.769 0.141 -7.023 1.00 0.00 O ATOM 1011 OE2 GLU A 74 -10.780 0.303 -6.265 1.00 0.00 O ATOM 0 HA GLU A 74 -7.430 2.164 -3.392 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.448 3.167 -5.943 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.355 1.825 -6.220 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.659 0.651 -4.245 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.886 1.869 -4.533 1.00 0.00 H new ATOM 1018 N THR A 75 -4.789 3.118 -3.842 1.00 0.00 N ATOM 1019 CA THR A 75 -3.336 2.922 -4.098 1.00 0.00 C ATOM 1020 C THR A 75 -2.819 1.776 -3.237 1.00 0.00 C ATOM 1021 O THR A 75 -1.655 1.712 -2.897 1.00 0.00 O ATOM 1022 CB THR A 75 -2.581 4.207 -3.763 1.00 0.00 C ATOM 1023 OG1 THR A 75 -2.333 4.258 -2.364 1.00 0.00 O ATOM 1024 CG2 THR A 75 -3.429 5.408 -4.180 1.00 0.00 C ATOM 0 H THR A 75 -5.015 3.752 -3.076 1.00 0.00 H new ATOM 0 HA THR A 75 -3.179 2.679 -5.149 1.00 0.00 H new ATOM 0 HB THR A 75 -1.631 4.228 -4.297 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.847 5.081 -2.148 1.00 0.00 H new ATOM 0 HG21 THR A 75 -2.896 6.329 -3.944 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.620 5.364 -5.252 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.377 5.389 -3.642 1.00 0.00 H new ATOM 1032 N VAL A 76 -3.679 0.871 -2.889 1.00 0.00 N ATOM 1033 CA VAL A 76 -3.254 -0.288 -2.052 1.00 0.00 C ATOM 1034 C VAL A 76 -4.232 -1.443 -2.258 1.00 0.00 C ATOM 1035 O VAL A 76 -5.363 -1.250 -2.658 1.00 0.00 O ATOM 1036 CB VAL A 76 -3.234 0.099 -0.566 1.00 0.00 C ATOM 1037 CG1 VAL A 76 -1.785 0.201 -0.081 1.00 0.00 C ATOM 1038 CG2 VAL A 76 -3.935 1.444 -0.354 1.00 0.00 C ATOM 0 H VAL A 76 -4.666 0.879 -3.147 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.250 -0.588 -2.351 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.761 -0.668 0.002 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.773 0.476 0.974 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.289 -0.761 -0.211 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.260 0.961 -0.660 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.912 1.703 0.704 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.422 2.216 -0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.970 1.371 -0.687 1.00 0.00 H new ATOM 1048 N GLN A 77 -3.806 -2.644 -1.988 1.00 0.00 N ATOM 1049 CA GLN A 77 -4.709 -3.818 -2.167 1.00 0.00 C ATOM 1050 C GLN A 77 -4.352 -4.888 -1.127 1.00 0.00 C ATOM 1051 O GLN A 77 -3.202 -5.037 -0.768 1.00 0.00 O ATOM 1052 CB GLN A 77 -4.545 -4.397 -3.581 1.00 0.00 C ATOM 1053 CG GLN A 77 -3.207 -3.950 -4.186 1.00 0.00 C ATOM 1054 CD GLN A 77 -3.338 -2.523 -4.720 1.00 0.00 C ATOM 1055 OE1 GLN A 77 -4.392 -2.129 -5.179 1.00 0.00 O ATOM 1056 NE2 GLN A 77 -2.306 -1.725 -4.678 1.00 0.00 N ATOM 0 H GLN A 77 -2.869 -2.866 -1.650 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.744 -3.503 -2.033 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.590 -5.485 -3.543 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -5.368 -4.066 -4.215 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.422 -3.996 -3.432 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.916 -4.625 -4.991 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.421 -2.055 -4.293 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.384 -0.771 -5.030 1.00 0.00 H new ATOM 1065 N PRO A 78 -5.354 -5.594 -0.664 1.00 0.00 N ATOM 1066 CA PRO A 78 -5.178 -6.650 0.351 1.00 0.00 C ATOM 1067 C PRO A 78 -4.649 -7.941 -0.282 1.00 0.00 C ATOM 1068 O PRO A 78 -5.161 -8.411 -1.280 1.00 0.00 O ATOM 1069 CB PRO A 78 -6.593 -6.858 0.897 1.00 0.00 C ATOM 1070 CG PRO A 78 -7.564 -6.351 -0.195 1.00 0.00 C ATOM 1071 CD PRO A 78 -6.753 -5.408 -1.104 1.00 0.00 C ATOM 0 HA PRO A 78 -4.456 -6.378 1.121 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -6.773 -7.910 1.118 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -6.734 -6.308 1.828 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -7.972 -7.184 -0.767 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.409 -5.827 0.251 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.877 -5.665 -2.156 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.072 -4.372 -0.989 1.00 0.00 H new ATOM 1079 N GLY A 79 -3.632 -8.522 0.298 1.00 0.00 N ATOM 1080 CA GLY A 79 -3.077 -9.800 -0.273 1.00 0.00 C ATOM 1081 C GLY A 79 -2.485 -9.542 -1.662 1.00 0.00 C ATOM 1082 O GLY A 79 -2.173 -10.463 -2.391 1.00 0.00 O ATOM 0 H GLY A 79 -3.161 -8.177 1.134 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.310 -10.200 0.389 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.865 -10.551 -0.338 1.00 0.00 H new ATOM 1086 N ASP A 80 -2.329 -8.302 -2.040 1.00 0.00 N ATOM 1087 CA ASP A 80 -1.761 -7.996 -3.383 1.00 0.00 C ATOM 1088 C ASP A 80 -0.331 -8.563 -3.475 1.00 0.00 C ATOM 1089 O ASP A 80 0.379 -8.611 -2.491 1.00 0.00 O ATOM 1090 CB ASP A 80 -1.737 -6.476 -3.561 1.00 0.00 C ATOM 1091 CG ASP A 80 -0.843 -5.846 -2.491 1.00 0.00 C ATOM 1092 OD1 ASP A 80 -0.353 -6.578 -1.646 1.00 0.00 O ATOM 1093 OD2 ASP A 80 -0.668 -4.640 -2.532 1.00 0.00 O ATOM 0 H ASP A 80 -2.571 -7.487 -1.476 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.368 -8.449 -4.166 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.366 -6.222 -4.554 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.748 -6.075 -3.486 1.00 0.00 H new ATOM 1098 N GLU A 81 0.107 -9.004 -4.634 1.00 0.00 N ATOM 1099 CA GLU A 81 1.502 -9.564 -4.721 1.00 0.00 C ATOM 1100 C GLU A 81 2.502 -8.440 -5.084 1.00 0.00 C ATOM 1101 O GLU A 81 2.963 -8.356 -6.205 1.00 0.00 O ATOM 1102 CB GLU A 81 1.579 -10.659 -5.798 1.00 0.00 C ATOM 1103 CG GLU A 81 2.648 -11.677 -5.399 1.00 0.00 C ATOM 1104 CD GLU A 81 4.036 -11.081 -5.638 1.00 0.00 C ATOM 1105 OE1 GLU A 81 4.520 -10.384 -4.760 1.00 0.00 O ATOM 1106 OE2 GLU A 81 4.592 -11.331 -6.695 1.00 0.00 O ATOM 0 H GLU A 81 -0.424 -9.003 -5.505 1.00 0.00 H new ATOM 0 HA GLU A 81 1.757 -9.991 -3.751 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.612 -11.151 -5.904 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.821 -10.219 -6.765 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.533 -11.948 -4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.529 -12.592 -5.980 1.00 0.00 H new ATOM 1113 N ILE A 82 2.844 -7.583 -4.148 1.00 0.00 N ATOM 1114 CA ILE A 82 3.817 -6.476 -4.437 1.00 0.00 C ATOM 1115 C ILE A 82 5.243 -7.062 -4.534 1.00 0.00 C ATOM 1116 O ILE A 82 5.746 -7.630 -3.586 1.00 0.00 O ATOM 1117 CB ILE A 82 3.758 -5.454 -3.284 1.00 0.00 C ATOM 1118 CG1 ILE A 82 2.330 -5.408 -2.699 1.00 0.00 C ATOM 1119 CG2 ILE A 82 4.147 -4.065 -3.803 1.00 0.00 C ATOM 1120 CD1 ILE A 82 2.007 -4.002 -2.172 1.00 0.00 C ATOM 0 H ILE A 82 2.490 -7.603 -3.192 1.00 0.00 H new ATOM 0 HA ILE A 82 3.563 -5.989 -5.379 1.00 0.00 H new ATOM 0 HB ILE A 82 4.456 -5.755 -2.503 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.608 -5.690 -3.465 1.00 0.00 H new ATOM 0 HG13 ILE A 82 2.238 -6.135 -1.892 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.104 -3.346 -2.985 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.160 -4.097 -4.205 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.454 -3.763 -4.589 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.996 -3.990 -1.764 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.718 -3.734 -1.390 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.077 -3.283 -2.988 1.00 0.00 H new ATOM 1132 N LEU A 83 5.900 -6.941 -5.670 1.00 0.00 N ATOM 1133 CA LEU A 83 7.283 -7.507 -5.798 1.00 0.00 C ATOM 1134 C LEU A 83 8.303 -6.584 -5.114 1.00 0.00 C ATOM 1135 O LEU A 83 9.144 -7.039 -4.363 1.00 0.00 O ATOM 1136 CB LEU A 83 7.642 -7.636 -7.279 1.00 0.00 C ATOM 1137 CG LEU A 83 6.955 -8.870 -7.866 1.00 0.00 C ATOM 1138 CD1 LEU A 83 5.729 -8.438 -8.671 1.00 0.00 C ATOM 1139 CD2 LEU A 83 7.932 -9.608 -8.783 1.00 0.00 C ATOM 0 H LEU A 83 5.540 -6.479 -6.505 1.00 0.00 H new ATOM 0 HA LEU A 83 7.309 -8.486 -5.319 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.330 -6.742 -7.819 1.00 0.00 H new ATOM 0 HB3 LEU A 83 8.723 -7.718 -7.396 1.00 0.00 H new ATOM 0 HG LEU A 83 6.643 -9.531 -7.057 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.240 -9.318 -9.089 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.033 -7.911 -8.019 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.039 -7.777 -9.480 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.444 -10.488 -9.202 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.243 -8.946 -9.591 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.806 -9.917 -8.210 1.00 0.00 H new ATOM 1151 N GLN A 84 8.243 -5.297 -5.346 1.00 0.00 N ATOM 1152 CA GLN A 84 9.220 -4.385 -4.677 1.00 0.00 C ATOM 1153 C GLN A 84 8.463 -3.241 -4.004 1.00 0.00 C ATOM 1154 O GLN A 84 7.410 -2.831 -4.449 1.00 0.00 O ATOM 1155 CB GLN A 84 10.242 -3.836 -5.700 1.00 0.00 C ATOM 1156 CG GLN A 84 9.880 -2.411 -6.147 1.00 0.00 C ATOM 1157 CD GLN A 84 10.389 -2.176 -7.570 1.00 0.00 C ATOM 1158 OE1 GLN A 84 9.620 -2.166 -8.511 1.00 0.00 O ATOM 1159 NE2 GLN A 84 11.665 -1.983 -7.770 1.00 0.00 N ATOM 0 H GLN A 84 7.569 -4.842 -5.962 1.00 0.00 H new ATOM 0 HA GLN A 84 9.772 -4.943 -3.921 1.00 0.00 H new ATOM 0 HB2 GLN A 84 11.238 -3.838 -5.258 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.278 -4.493 -6.569 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.800 -2.270 -6.108 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.321 -1.682 -5.467 1.00 0.00 H new ATOM 0 HE21 GLN A 84 12.312 -1.991 -6.981 1.00 0.00 H new ATOM 0 HE22 GLN A 84 12.015 -1.824 -8.715 1.00 0.00 H new ATOM 1168 N LEU A 85 8.999 -2.715 -2.942 1.00 0.00 N ATOM 1169 CA LEU A 85 8.324 -1.593 -2.248 1.00 0.00 C ATOM 1170 C LEU A 85 9.169 -0.340 -2.436 1.00 0.00 C ATOM 1171 O LEU A 85 10.287 -0.288 -1.976 1.00 0.00 O ATOM 1172 CB LEU A 85 8.222 -1.909 -0.762 1.00 0.00 C ATOM 1173 CG LEU A 85 6.765 -1.992 -0.344 1.00 0.00 C ATOM 1174 CD1 LEU A 85 6.643 -2.964 0.832 1.00 0.00 C ATOM 1175 CD2 LEU A 85 6.274 -0.605 0.077 1.00 0.00 C ATOM 0 H LEU A 85 9.879 -3.017 -2.525 1.00 0.00 H new ATOM 0 HA LEU A 85 7.324 -1.443 -2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.724 -2.853 -0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.731 -1.139 -0.183 1.00 0.00 H new ATOM 0 HG LEU A 85 6.158 -2.346 -1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.600 -3.032 1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.996 -3.949 0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.246 -2.604 1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.228 -0.665 0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.872 -0.246 0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.372 0.085 -0.761 1.00 0.00 H new ATOM 1187 N GLY A 86 8.637 0.646 -3.120 1.00 0.00 N ATOM 1188 CA GLY A 86 9.383 1.923 -3.380 1.00 0.00 C ATOM 1189 C GLY A 86 10.526 2.112 -2.380 1.00 0.00 C ATOM 1190 O GLY A 86 10.385 2.780 -1.375 1.00 0.00 O ATOM 0 H GLY A 86 7.698 0.620 -3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 86 9.782 1.914 -4.394 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.697 2.767 -3.315 1.00 0.00 H new ATOM 1194 N GLY A 87 11.653 1.512 -2.646 1.00 0.00 N ATOM 1195 CA GLY A 87 12.807 1.643 -1.696 1.00 0.00 C ATOM 1196 C GLY A 87 13.231 0.249 -1.224 1.00 0.00 C ATOM 1197 O GLY A 87 14.068 0.111 -0.356 1.00 0.00 O ATOM 0 H GLY A 87 11.830 0.940 -3.472 1.00 0.00 H new ATOM 0 HA2 GLY A 87 13.642 2.144 -2.186 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.523 2.258 -0.842 1.00 0.00 H new ATOM 1201 N THR A 88 12.671 -0.790 -1.792 1.00 0.00 N ATOM 1202 CA THR A 88 13.061 -2.154 -1.372 1.00 0.00 C ATOM 1203 C THR A 88 12.510 -3.155 -2.380 1.00 0.00 C ATOM 1204 O THR A 88 11.416 -3.006 -2.889 1.00 0.00 O ATOM 1205 CB THR A 88 12.506 -2.475 0.039 1.00 0.00 C ATOM 1206 OG1 THR A 88 13.393 -3.370 0.689 1.00 0.00 O ATOM 1207 CG2 THR A 88 11.123 -3.132 -0.044 1.00 0.00 C ATOM 0 H THR A 88 11.964 -0.745 -2.525 1.00 0.00 H new ATOM 0 HA THR A 88 14.148 -2.218 -1.333 1.00 0.00 H new ATOM 0 HB THR A 88 12.416 -1.541 0.594 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.894 -3.914 1.334 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.760 -3.345 0.962 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.429 -2.457 -0.545 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.195 -4.062 -0.608 1.00 0.00 H new ATOM 1215 N ALA A 89 13.234 -4.191 -2.631 1.00 0.00 N ATOM 1216 CA ALA A 89 12.737 -5.233 -3.559 1.00 0.00 C ATOM 1217 C ALA A 89 12.674 -6.549 -2.796 1.00 0.00 C ATOM 1218 O ALA A 89 13.526 -6.844 -1.987 1.00 0.00 O ATOM 1219 CB ALA A 89 13.663 -5.356 -4.752 1.00 0.00 C ATOM 0 H ALA A 89 14.156 -4.367 -2.233 1.00 0.00 H new ATOM 0 HA ALA A 89 11.747 -4.968 -3.931 1.00 0.00 H new ATOM 0 HB1 ALA A 89 13.287 -6.125 -5.427 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.708 -4.402 -5.278 1.00 0.00 H new ATOM 0 HB3 ALA A 89 14.662 -5.629 -4.411 1.00 0.00 H new ATOM 1225 N MET A 90 11.660 -7.327 -3.027 1.00 0.00 N ATOM 1226 CA MET A 90 11.537 -8.614 -2.284 1.00 0.00 C ATOM 1227 C MET A 90 12.267 -9.738 -3.023 1.00 0.00 C ATOM 1228 O MET A 90 13.125 -10.381 -2.457 1.00 0.00 O ATOM 1229 CB MET A 90 10.059 -9.000 -2.093 1.00 0.00 C ATOM 1230 CG MET A 90 9.948 -10.461 -1.631 1.00 0.00 C ATOM 1231 SD MET A 90 11.286 -10.879 -0.469 1.00 0.00 S ATOM 1232 CE MET A 90 11.086 -9.481 0.661 1.00 0.00 C ATOM 0 H MET A 90 10.913 -7.133 -3.693 1.00 0.00 H new ATOM 0 HA MET A 90 11.995 -8.475 -1.305 1.00 0.00 H new ATOM 0 HB2 MET A 90 9.596 -8.342 -1.358 1.00 0.00 H new ATOM 0 HB3 MET A 90 9.516 -8.864 -3.029 1.00 0.00 H new ATOM 0 HG2 MET A 90 8.982 -10.623 -1.153 1.00 0.00 H new ATOM 0 HG3 MET A 90 9.991 -11.124 -2.495 1.00 0.00 H new ATOM 0 HE1 MET A 90 12.067 -9.126 0.978 1.00 0.00 H new ATOM 0 HE2 MET A 90 10.555 -8.676 0.153 1.00 0.00 H new ATOM 0 HE3 MET A 90 10.515 -9.798 1.534 1.00 0.00 H new ATOM 1242 N GLN A 91 11.910 -10.022 -4.253 1.00 0.00 N ATOM 1243 CA GLN A 91 12.594 -11.165 -4.966 1.00 0.00 C ATOM 1244 C GLN A 91 14.087 -11.286 -4.601 1.00 0.00 C ATOM 1245 O GLN A 91 14.627 -12.375 -4.614 1.00 0.00 O ATOM 1246 CB GLN A 91 12.411 -11.058 -6.498 1.00 0.00 C ATOM 1247 CG GLN A 91 11.156 -11.830 -6.942 1.00 0.00 C ATOM 1248 CD GLN A 91 11.216 -13.258 -6.395 1.00 0.00 C ATOM 1249 OE1 GLN A 91 11.891 -14.104 -6.947 1.00 0.00 O ATOM 1250 NE2 GLN A 91 10.530 -13.563 -5.328 1.00 0.00 N ATOM 0 H GLN A 91 11.194 -9.531 -4.789 1.00 0.00 H new ATOM 0 HA GLN A 91 12.108 -12.078 -4.622 1.00 0.00 H new ATOM 0 HB2 GLN A 91 12.324 -10.011 -6.788 1.00 0.00 H new ATOM 0 HB3 GLN A 91 13.290 -11.457 -7.005 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.259 -11.327 -6.579 1.00 0.00 H new ATOM 0 HG3 GLN A 91 11.093 -11.848 -8.030 1.00 0.00 H new ATOM 0 HE21 GLN A 91 9.964 -12.852 -4.865 1.00 0.00 H new ATOM 0 HE22 GLN A 91 10.560 -14.512 -4.956 1.00 0.00 H new ATOM 1259 N GLY A 92 14.761 -10.231 -4.230 1.00 0.00 N ATOM 1260 CA GLY A 92 16.179 -10.384 -3.827 1.00 0.00 C ATOM 1261 C GLY A 92 16.258 -9.985 -2.359 1.00 0.00 C ATOM 1262 O GLY A 92 17.089 -9.193 -1.965 1.00 0.00 O ATOM 0 H GLY A 92 14.392 -9.281 -4.190 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.513 -11.412 -3.968 1.00 0.00 H new ATOM 0 HA3 GLY A 92 16.826 -9.752 -4.436 1.00 0.00 H new ATOM 1266 N LEU A 93 15.363 -10.502 -1.549 1.00 0.00 N ATOM 1267 CA LEU A 93 15.356 -10.114 -0.121 1.00 0.00 C ATOM 1268 C LEU A 93 14.540 -11.136 0.679 1.00 0.00 C ATOM 1269 O LEU A 93 14.270 -12.231 0.228 1.00 0.00 O ATOM 1270 CB LEU A 93 14.679 -8.737 -0.007 1.00 0.00 C ATOM 1271 CG LEU A 93 15.648 -7.662 0.507 1.00 0.00 C ATOM 1272 CD1 LEU A 93 16.607 -8.246 1.547 1.00 0.00 C ATOM 1273 CD2 LEU A 93 16.442 -7.094 -0.670 1.00 0.00 C ATOM 0 H LEU A 93 14.644 -11.172 -1.823 1.00 0.00 H new ATOM 0 HA LEU A 93 16.374 -10.078 0.267 1.00 0.00 H new ATOM 0 HB2 LEU A 93 14.293 -8.441 -0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 93 13.825 -8.807 0.666 1.00 0.00 H new ATOM 0 HG LEU A 93 15.072 -6.868 0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 93 17.284 -7.466 1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 93 16.036 -8.636 2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 93 17.185 -9.053 1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 93 17.131 -6.330 -0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 93 17.006 -7.895 -1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 93 15.756 -6.652 -1.392 1.00 0.00 H new ATOM 1285 N THR A 94 14.128 -10.763 1.856 1.00 0.00 N ATOM 1286 CA THR A 94 13.307 -11.670 2.705 1.00 0.00 C ATOM 1287 C THR A 94 12.036 -10.926 3.111 1.00 0.00 C ATOM 1288 O THR A 94 11.971 -9.717 3.034 1.00 0.00 O ATOM 1289 CB THR A 94 14.086 -12.058 3.960 1.00 0.00 C ATOM 1290 OG1 THR A 94 15.403 -11.536 3.876 1.00 0.00 O ATOM 1291 CG2 THR A 94 14.145 -13.581 4.077 1.00 0.00 C ATOM 0 H THR A 94 14.328 -9.854 2.273 1.00 0.00 H new ATOM 0 HA THR A 94 13.061 -12.575 2.149 1.00 0.00 H new ATOM 0 HB THR A 94 13.587 -11.649 4.839 1.00 0.00 H new ATOM 0 HG1 THR A 94 16.019 -12.122 4.364 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.701 -13.856 4.973 1.00 0.00 H new ATOM 0 HG22 THR A 94 13.133 -13.980 4.141 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.643 -13.994 3.200 1.00 0.00 H new ATOM 1299 N ARG A 95 11.024 -11.624 3.540 1.00 0.00 N ATOM 1300 CA ARG A 95 9.770 -10.912 3.927 1.00 0.00 C ATOM 1301 C ARG A 95 10.088 -9.837 4.975 1.00 0.00 C ATOM 1302 O ARG A 95 9.949 -8.657 4.725 1.00 0.00 O ATOM 1303 CB ARG A 95 8.729 -11.912 4.475 1.00 0.00 C ATOM 1304 CG ARG A 95 7.823 -11.237 5.505 1.00 0.00 C ATOM 1305 CD ARG A 95 6.741 -12.223 5.916 1.00 0.00 C ATOM 1306 NE ARG A 95 6.866 -12.525 7.370 1.00 0.00 N ATOM 1307 CZ ARG A 95 6.781 -13.758 7.790 1.00 0.00 C ATOM 1308 NH1 ARG A 95 5.621 -14.258 8.113 1.00 0.00 N ATOM 1309 NH2 ARG A 95 7.857 -14.489 7.890 1.00 0.00 N ATOM 0 H ARG A 95 11.006 -12.639 3.640 1.00 0.00 H new ATOM 0 HA ARG A 95 9.347 -10.431 3.045 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.127 -12.304 3.655 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.238 -12.761 4.931 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.403 -10.927 6.374 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.375 -10.337 5.083 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.756 -11.807 5.704 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.831 -13.141 5.335 1.00 0.00 H new ATOM 0 HE ARG A 95 7.018 -11.768 8.037 1.00 0.00 H new ATOM 0 HH11 ARG A 95 4.780 -13.686 8.037 1.00 0.00 H new ATOM 0 HH12 ARG A 95 5.554 -15.221 8.441 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.765 -14.097 7.640 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.790 -15.452 8.218 1.00 0.00 H new ATOM 1323 N PHE A 96 10.494 -10.233 6.148 1.00 0.00 N ATOM 1324 CA PHE A 96 10.794 -9.229 7.208 1.00 0.00 C ATOM 1325 C PHE A 96 11.833 -8.225 6.706 1.00 0.00 C ATOM 1326 O PHE A 96 11.644 -7.030 6.812 1.00 0.00 O ATOM 1327 CB PHE A 96 11.324 -9.944 8.453 1.00 0.00 C ATOM 1328 CG PHE A 96 10.266 -9.933 9.530 1.00 0.00 C ATOM 1329 CD1 PHE A 96 9.519 -8.773 9.770 1.00 0.00 C ATOM 1330 CD2 PHE A 96 10.035 -11.085 10.289 1.00 0.00 C ATOM 1331 CE1 PHE A 96 8.540 -8.768 10.770 1.00 0.00 C ATOM 1332 CE2 PHE A 96 9.055 -11.079 11.290 1.00 0.00 C ATOM 1333 CZ PHE A 96 8.308 -9.921 11.530 1.00 0.00 C ATOM 0 H PHE A 96 10.631 -11.207 6.419 1.00 0.00 H new ATOM 0 HA PHE A 96 9.879 -8.692 7.459 1.00 0.00 H new ATOM 0 HB2 PHE A 96 11.597 -10.970 8.207 1.00 0.00 H new ATOM 0 HB3 PHE A 96 12.228 -9.451 8.811 1.00 0.00 H new ATOM 0 HD1 PHE A 96 9.698 -7.884 9.184 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.612 -11.979 10.103 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.963 -7.874 10.956 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.876 -11.968 11.876 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.552 -9.916 12.302 1.00 0.00 H new ATOM 1343 N GLU A 97 12.927 -8.684 6.163 1.00 0.00 N ATOM 1344 CA GLU A 97 13.946 -7.723 5.669 1.00 0.00 C ATOM 1345 C GLU A 97 13.274 -6.738 4.713 1.00 0.00 C ATOM 1346 O GLU A 97 13.516 -5.550 4.761 1.00 0.00 O ATOM 1347 CB GLU A 97 15.061 -8.475 4.940 1.00 0.00 C ATOM 1348 CG GLU A 97 15.768 -9.416 5.917 1.00 0.00 C ATOM 1349 CD GLU A 97 16.967 -8.701 6.542 1.00 0.00 C ATOM 1350 OE1 GLU A 97 16.758 -7.686 7.184 1.00 0.00 O ATOM 1351 OE2 GLU A 97 18.075 -9.183 6.367 1.00 0.00 O ATOM 0 H GLU A 97 13.156 -9.671 6.042 1.00 0.00 H new ATOM 0 HA GLU A 97 14.380 -7.183 6.510 1.00 0.00 H new ATOM 0 HB2 GLU A 97 14.646 -9.043 4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 97 15.775 -7.768 4.519 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.075 -9.735 6.696 1.00 0.00 H new ATOM 0 HG3 GLU A 97 16.099 -10.315 5.397 1.00 0.00 H new ATOM 1358 N ALA A 98 12.426 -7.223 3.846 1.00 0.00 N ATOM 1359 CA ALA A 98 11.738 -6.315 2.886 1.00 0.00 C ATOM 1360 C ALA A 98 11.067 -5.164 3.631 1.00 0.00 C ATOM 1361 O ALA A 98 11.473 -4.025 3.526 1.00 0.00 O ATOM 1362 CB ALA A 98 10.680 -7.100 2.108 1.00 0.00 C ATOM 0 H ALA A 98 12.181 -8.209 3.762 1.00 0.00 H new ATOM 0 HA ALA A 98 12.478 -5.908 2.197 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.177 -6.435 1.406 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.159 -7.911 1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.949 -7.513 2.803 1.00 0.00 H new ATOM 1368 N TRP A 99 10.037 -5.447 4.372 1.00 0.00 N ATOM 1369 CA TRP A 99 9.326 -4.352 5.112 1.00 0.00 C ATOM 1370 C TRP A 99 10.312 -3.581 6.010 1.00 0.00 C ATOM 1371 O TRP A 99 10.008 -2.505 6.486 1.00 0.00 O ATOM 1372 CB TRP A 99 8.192 -4.974 5.945 1.00 0.00 C ATOM 1373 CG TRP A 99 7.329 -3.924 6.567 1.00 0.00 C ATOM 1374 CD1 TRP A 99 6.834 -3.987 7.826 1.00 0.00 C ATOM 1375 CD2 TRP A 99 6.827 -2.683 5.993 1.00 0.00 C ATOM 1376 NE1 TRP A 99 6.064 -2.866 8.060 1.00 0.00 N ATOM 1377 CE2 TRP A 99 6.031 -2.030 6.964 1.00 0.00 C ATOM 1378 CE3 TRP A 99 6.984 -2.063 4.742 1.00 0.00 C ATOM 1379 CZ2 TRP A 99 5.415 -0.813 6.703 1.00 0.00 C ATOM 1380 CZ3 TRP A 99 6.366 -0.834 4.478 1.00 0.00 C ATOM 1381 CH2 TRP A 99 5.581 -0.211 5.458 1.00 0.00 C ATOM 0 H TRP A 99 9.652 -6.382 4.502 1.00 0.00 H new ATOM 0 HA TRP A 99 8.903 -3.640 4.403 1.00 0.00 H new ATOM 0 HB2 TRP A 99 7.583 -5.617 5.310 1.00 0.00 H new ATOM 0 HB3 TRP A 99 8.617 -5.606 6.725 1.00 0.00 H new ATOM 0 HD1 TRP A 99 7.013 -4.785 8.532 1.00 0.00 H new ATOM 0 HE1 TRP A 99 5.578 -2.679 8.937 1.00 0.00 H new ATOM 0 HE3 TRP A 99 7.585 -2.537 3.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 4.811 -0.336 7.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 6.495 -0.364 3.514 1.00 0.00 H new ATOM 0 HH2 TRP A 99 5.105 0.735 5.248 1.00 0.00 H new ATOM 1392 N ASN A 100 11.492 -4.104 6.241 1.00 0.00 N ATOM 1393 CA ASN A 100 12.474 -3.374 7.097 1.00 0.00 C ATOM 1394 C ASN A 100 13.215 -2.299 6.274 1.00 0.00 C ATOM 1395 O ASN A 100 13.308 -1.159 6.682 1.00 0.00 O ATOM 1396 CB ASN A 100 13.488 -4.365 7.681 1.00 0.00 C ATOM 1397 CG ASN A 100 12.767 -5.359 8.595 1.00 0.00 C ATOM 1398 OD1 ASN A 100 11.708 -5.067 9.113 1.00 0.00 O ATOM 1399 ND2 ASN A 100 13.301 -6.529 8.818 1.00 0.00 N ATOM 0 H ASN A 100 11.815 -5.000 5.875 1.00 0.00 H new ATOM 0 HA ASN A 100 11.934 -2.884 7.907 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.996 -4.897 6.877 1.00 0.00 H new ATOM 0 HB3 ASN A 100 14.254 -3.829 8.242 1.00 0.00 H new ATOM 0 HD21 ASN A 100 12.829 -7.197 9.427 1.00 0.00 H new ATOM 0 HD22 ASN A 100 14.190 -6.775 8.383 1.00 0.00 H new ATOM 1406 N ILE A 101 13.749 -2.643 5.123 1.00 0.00 N ATOM 1407 CA ILE A 101 14.479 -1.633 4.303 1.00 0.00 C ATOM 1408 C ILE A 101 13.582 -0.430 4.033 1.00 0.00 C ATOM 1409 O ILE A 101 14.010 0.704 4.108 1.00 0.00 O ATOM 1410 CB ILE A 101 14.870 -2.260 2.969 1.00 0.00 C ATOM 1411 CG1 ILE A 101 15.921 -3.333 3.200 1.00 0.00 C ATOM 1412 CG2 ILE A 101 15.407 -1.190 2.022 1.00 0.00 C ATOM 1413 CD1 ILE A 101 15.232 -4.687 3.101 1.00 0.00 C ATOM 0 H ILE A 101 13.708 -3.579 4.721 1.00 0.00 H new ATOM 0 HA ILE A 101 15.367 -1.309 4.846 1.00 0.00 H new ATOM 0 HB ILE A 101 13.990 -2.714 2.514 1.00 0.00 H new ATOM 0 HG12 ILE A 101 16.717 -3.254 2.459 1.00 0.00 H new ATOM 0 HG13 ILE A 101 16.384 -3.210 4.179 1.00 0.00 H new ATOM 0 HG21 ILE A 101 15.683 -1.649 1.073 1.00 0.00 H new ATOM 0 HG22 ILE A 101 14.638 -0.437 1.851 1.00 0.00 H new ATOM 0 HG23 ILE A 101 16.284 -0.719 2.465 1.00 0.00 H new ATOM 0 HD11 ILE A 101 15.963 -5.480 3.263 1.00 0.00 H new ATOM 0 HD12 ILE A 101 14.451 -4.754 3.858 1.00 0.00 H new ATOM 0 HD13 ILE A 101 14.789 -4.798 2.111 1.00 0.00 H new ATOM 1425 N ILE A 102 12.343 -0.663 3.714 1.00 0.00 N ATOM 1426 CA ILE A 102 11.433 0.479 3.434 1.00 0.00 C ATOM 1427 C ILE A 102 11.438 1.411 4.638 1.00 0.00 C ATOM 1428 O ILE A 102 11.719 2.584 4.534 1.00 0.00 O ATOM 1429 CB ILE A 102 10.033 -0.068 3.228 1.00 0.00 C ATOM 1430 CG1 ILE A 102 9.900 -0.661 1.851 1.00 0.00 C ATOM 1431 CG2 ILE A 102 8.977 1.022 3.425 1.00 0.00 C ATOM 1432 CD1 ILE A 102 9.697 -2.149 2.066 1.00 0.00 C ATOM 0 H ILE A 102 11.922 -1.589 3.635 1.00 0.00 H new ATOM 0 HA ILE A 102 11.757 1.023 2.546 1.00 0.00 H new ATOM 0 HB ILE A 102 9.867 -0.846 3.973 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.057 -0.224 1.316 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.791 -0.469 1.254 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.984 0.599 3.271 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.049 1.419 4.437 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.145 1.825 2.707 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.592 -2.645 1.101 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.557 -2.561 2.594 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.796 -2.312 2.657 1.00 0.00 H new ATOM 1444 N LYS A 103 11.119 0.882 5.781 1.00 0.00 N ATOM 1445 CA LYS A 103 11.094 1.724 7.013 1.00 0.00 C ATOM 1446 C LYS A 103 12.304 2.658 7.025 1.00 0.00 C ATOM 1447 O LYS A 103 12.240 3.775 7.502 1.00 0.00 O ATOM 1448 CB LYS A 103 11.145 0.826 8.252 1.00 0.00 C ATOM 1449 CG LYS A 103 9.890 -0.044 8.312 1.00 0.00 C ATOM 1450 CD LYS A 103 8.949 0.485 9.397 1.00 0.00 C ATOM 1451 CE LYS A 103 7.810 -0.512 9.612 1.00 0.00 C ATOM 1452 NZ LYS A 103 8.358 -1.771 10.191 1.00 0.00 N ATOM 0 H LYS A 103 10.873 -0.098 5.920 1.00 0.00 H new ATOM 0 HA LYS A 103 10.176 2.312 7.022 1.00 0.00 H new ATOM 0 HB2 LYS A 103 12.034 0.196 8.220 1.00 0.00 H new ATOM 0 HB3 LYS A 103 11.219 1.436 9.152 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.386 -0.040 7.346 1.00 0.00 H new ATOM 0 HG3 LYS A 103 10.162 -1.078 8.525 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.497 0.634 10.328 1.00 0.00 H new ATOM 0 HD3 LYS A 103 8.547 1.455 9.104 1.00 0.00 H new ATOM 0 HE2 LYS A 103 7.061 -0.087 10.280 1.00 0.00 H new ATOM 0 HE3 LYS A 103 7.311 -0.721 8.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 7.810 -2.032 11.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 8.293 -2.534 9.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 9.354 -1.627 10.455 1.00 0.00 H new ATOM 1466 N ALA A 104 13.411 2.197 6.523 1.00 0.00 N ATOM 1467 CA ALA A 104 14.647 3.037 6.518 1.00 0.00 C ATOM 1468 C ALA A 104 14.769 3.848 5.218 1.00 0.00 C ATOM 1469 O ALA A 104 15.732 4.562 5.021 1.00 0.00 O ATOM 1470 CB ALA A 104 15.863 2.123 6.644 1.00 0.00 C ATOM 0 H ALA A 104 13.518 1.270 6.112 1.00 0.00 H new ATOM 0 HA ALA A 104 14.593 3.734 7.354 1.00 0.00 H new ATOM 0 HB1 ALA A 104 16.772 2.724 6.642 1.00 0.00 H new ATOM 0 HB2 ALA A 104 15.802 1.562 7.577 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.885 1.429 5.804 1.00 0.00 H new ATOM 1476 N LEU A 105 13.824 3.742 4.327 1.00 0.00 N ATOM 1477 CA LEU A 105 13.925 4.509 3.047 1.00 0.00 C ATOM 1478 C LEU A 105 13.619 6.002 3.290 1.00 0.00 C ATOM 1479 O LEU A 105 13.271 6.381 4.391 1.00 0.00 O ATOM 1480 CB LEU A 105 12.961 3.868 2.019 1.00 0.00 C ATOM 1481 CG LEU A 105 11.493 4.355 2.144 1.00 0.00 C ATOM 1482 CD1 LEU A 105 11.155 4.883 3.545 1.00 0.00 C ATOM 1483 CD2 LEU A 105 11.237 5.456 1.118 1.00 0.00 C ATOM 0 H LEU A 105 12.990 3.163 4.425 1.00 0.00 H new ATOM 0 HA LEU A 105 14.939 4.463 2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 105 13.321 4.085 1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 105 12.986 2.785 2.139 1.00 0.00 H new ATOM 0 HG LEU A 105 10.852 3.493 1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 105 10.115 5.209 3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 105 11.305 4.091 4.278 1.00 0.00 H new ATOM 0 HD13 LEU A 105 11.805 5.725 3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 105 10.206 5.800 1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 105 11.915 6.290 1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 105 11.407 5.065 0.115 1.00 0.00 H new ATOM 1495 N PRO A 106 13.768 6.804 2.259 1.00 0.00 N ATOM 1496 CA PRO A 106 13.526 8.259 2.336 1.00 0.00 C ATOM 1497 C PRO A 106 12.037 8.595 2.174 1.00 0.00 C ATOM 1498 O PRO A 106 11.421 8.269 1.181 1.00 0.00 O ATOM 1499 CB PRO A 106 14.330 8.812 1.155 1.00 0.00 C ATOM 1500 CG PRO A 106 14.501 7.643 0.154 1.00 0.00 C ATOM 1501 CD PRO A 106 14.216 6.342 0.930 1.00 0.00 C ATOM 0 HA PRO A 106 13.818 8.679 3.299 1.00 0.00 H new ATOM 0 HB2 PRO A 106 13.809 9.649 0.689 1.00 0.00 H new ATOM 0 HB3 PRO A 106 15.299 9.184 1.486 1.00 0.00 H new ATOM 0 HG2 PRO A 106 13.814 7.750 -0.685 1.00 0.00 H new ATOM 0 HG3 PRO A 106 15.510 7.633 -0.259 1.00 0.00 H new ATOM 0 HD2 PRO A 106 13.450 5.744 0.437 1.00 0.00 H new ATOM 0 HD3 PRO A 106 15.107 5.719 1.004 1.00 0.00 H new ATOM 1509 N ASP A 107 11.465 9.260 3.141 1.00 0.00 N ATOM 1510 CA ASP A 107 10.024 9.638 3.060 1.00 0.00 C ATOM 1511 C ASP A 107 9.731 10.266 1.698 1.00 0.00 C ATOM 1512 O ASP A 107 9.808 11.467 1.525 1.00 0.00 O ATOM 1513 CB ASP A 107 9.707 10.656 4.157 1.00 0.00 C ATOM 1514 CG ASP A 107 9.736 9.969 5.523 1.00 0.00 C ATOM 1515 OD1 ASP A 107 10.277 8.879 5.604 1.00 0.00 O ATOM 1516 OD2 ASP A 107 9.215 10.545 6.465 1.00 0.00 O ATOM 0 H ASP A 107 11.939 9.561 3.993 1.00 0.00 H new ATOM 0 HA ASP A 107 9.410 8.747 3.190 1.00 0.00 H new ATOM 0 HB2 ASP A 107 10.433 11.469 4.133 1.00 0.00 H new ATOM 0 HB3 ASP A 107 8.726 11.099 3.983 1.00 0.00 H new ATOM 1521 N GLY A 108 9.395 9.465 0.728 1.00 0.00 N ATOM 1522 CA GLY A 108 9.099 10.022 -0.628 1.00 0.00 C ATOM 1523 C GLY A 108 8.090 9.125 -1.355 1.00 0.00 C ATOM 1524 O GLY A 108 7.277 8.473 -0.730 1.00 0.00 O ATOM 0 H GLY A 108 9.312 8.452 0.810 1.00 0.00 H new ATOM 0 HA2 GLY A 108 8.700 11.032 -0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 108 10.018 10.094 -1.209 1.00 0.00 H new ATOM 1528 N PRO A 109 8.179 9.123 -2.663 1.00 0.00 N ATOM 1529 CA PRO A 109 7.292 8.321 -3.527 1.00 0.00 C ATOM 1530 C PRO A 109 7.711 6.853 -3.520 1.00 0.00 C ATOM 1531 O PRO A 109 8.570 6.439 -4.273 1.00 0.00 O ATOM 1532 CB PRO A 109 7.491 8.932 -4.916 1.00 0.00 C ATOM 1533 CG PRO A 109 8.859 9.649 -4.885 1.00 0.00 C ATOM 1534 CD PRO A 109 9.179 9.923 -3.403 1.00 0.00 C ATOM 0 HA PRO A 109 6.253 8.340 -3.199 1.00 0.00 H new ATOM 0 HB2 PRO A 109 7.474 8.160 -5.686 1.00 0.00 H new ATOM 0 HB3 PRO A 109 6.690 9.633 -5.150 1.00 0.00 H new ATOM 0 HG2 PRO A 109 9.632 9.029 -5.340 1.00 0.00 H new ATOM 0 HG3 PRO A 109 8.822 10.579 -5.452 1.00 0.00 H new ATOM 0 HD2 PRO A 109 10.196 9.620 -3.152 1.00 0.00 H new ATOM 0 HD3 PRO A 109 9.095 10.984 -3.167 1.00 0.00 H new ATOM 1542 N VAL A 110 7.094 6.054 -2.694 1.00 0.00 N ATOM 1543 CA VAL A 110 7.444 4.617 -2.669 1.00 0.00 C ATOM 1544 C VAL A 110 6.587 3.939 -3.719 1.00 0.00 C ATOM 1545 O VAL A 110 5.381 3.871 -3.603 1.00 0.00 O ATOM 1546 CB VAL A 110 7.153 4.027 -1.290 1.00 0.00 C ATOM 1547 CG1 VAL A 110 5.895 4.649 -0.716 1.00 0.00 C ATOM 1548 CG2 VAL A 110 6.939 2.510 -1.374 1.00 0.00 C ATOM 0 H VAL A 110 6.365 6.338 -2.039 1.00 0.00 H new ATOM 0 HA VAL A 110 8.504 4.470 -2.875 1.00 0.00 H new ATOM 0 HB VAL A 110 8.011 4.239 -0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.694 4.223 0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 110 6.031 5.726 -0.624 1.00 0.00 H new ATOM 0 HG13 VAL A 110 5.054 4.445 -1.378 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.734 2.116 -0.379 1.00 0.00 H new ATOM 0 HG22 VAL A 110 6.095 2.297 -2.030 1.00 0.00 H new ATOM 0 HG23 VAL A 110 7.836 2.038 -1.773 1.00 0.00 H new ATOM 1558 N THR A 111 7.197 3.471 -4.759 1.00 0.00 N ATOM 1559 CA THR A 111 6.408 2.841 -5.841 1.00 0.00 C ATOM 1560 C THR A 111 6.208 1.361 -5.567 1.00 0.00 C ATOM 1561 O THR A 111 7.119 0.641 -5.210 1.00 0.00 O ATOM 1562 CB THR A 111 7.128 3.000 -7.178 1.00 0.00 C ATOM 1563 OG1 THR A 111 6.304 2.498 -8.222 1.00 0.00 O ATOM 1564 CG2 THR A 111 8.444 2.222 -7.146 1.00 0.00 C ATOM 0 H THR A 111 8.206 3.496 -4.909 1.00 0.00 H new ATOM 0 HA THR A 111 5.437 3.336 -5.881 1.00 0.00 H new ATOM 0 HB THR A 111 7.336 4.055 -7.355 1.00 0.00 H new ATOM 0 HG1 THR A 111 6.765 2.601 -9.081 1.00 0.00 H new ATOM 0 HG21 THR A 111 8.957 2.336 -8.101 1.00 0.00 H new ATOM 0 HG22 THR A 111 9.076 2.608 -6.346 1.00 0.00 H new ATOM 0 HG23 THR A 111 8.238 1.166 -6.968 1.00 0.00 H new ATOM 1572 N ILE A 112 5.010 0.914 -5.755 1.00 0.00 N ATOM 1573 CA ILE A 112 4.685 -0.505 -5.541 1.00 0.00 C ATOM 1574 C ILE A 112 4.198 -1.102 -6.856 1.00 0.00 C ATOM 1575 O ILE A 112 3.661 -0.417 -7.704 1.00 0.00 O ATOM 1576 CB ILE A 112 3.576 -0.630 -4.501 1.00 0.00 C ATOM 1577 CG1 ILE A 112 2.685 0.610 -4.534 1.00 0.00 C ATOM 1578 CG2 ILE A 112 4.185 -0.790 -3.107 1.00 0.00 C ATOM 1579 CD1 ILE A 112 1.545 0.429 -3.536 1.00 0.00 C ATOM 0 H ILE A 112 4.224 1.490 -6.056 1.00 0.00 H new ATOM 0 HA ILE A 112 5.572 -1.032 -5.190 1.00 0.00 H new ATOM 0 HB ILE A 112 2.973 -1.508 -4.732 1.00 0.00 H new ATOM 0 HG12 ILE A 112 3.266 1.498 -4.285 1.00 0.00 H new ATOM 0 HG13 ILE A 112 2.287 0.761 -5.537 1.00 0.00 H new ATOM 0 HG21 ILE A 112 3.387 -0.879 -2.369 1.00 0.00 H new ATOM 0 HG22 ILE A 112 4.804 -1.687 -3.081 1.00 0.00 H new ATOM 0 HG23 ILE A 112 4.798 0.081 -2.876 1.00 0.00 H new ATOM 0 HD11 ILE A 112 0.903 1.310 -3.553 1.00 0.00 H new ATOM 0 HD12 ILE A 112 0.961 -0.451 -3.807 1.00 0.00 H new ATOM 0 HD13 ILE A 112 1.955 0.298 -2.535 1.00 0.00 H new ATOM 1591 N VAL A 113 4.360 -2.375 -7.016 1.00 0.00 N ATOM 1592 CA VAL A 113 3.888 -3.039 -8.258 1.00 0.00 C ATOM 1593 C VAL A 113 3.265 -4.363 -7.851 1.00 0.00 C ATOM 1594 O VAL A 113 3.950 -5.332 -7.591 1.00 0.00 O ATOM 1595 CB VAL A 113 5.051 -3.302 -9.211 1.00 0.00 C ATOM 1596 CG1 VAL A 113 4.595 -3.054 -10.650 1.00 0.00 C ATOM 1597 CG2 VAL A 113 6.223 -2.375 -8.882 1.00 0.00 C ATOM 0 H VAL A 113 4.803 -2.994 -6.336 1.00 0.00 H new ATOM 0 HA VAL A 113 3.171 -2.399 -8.772 1.00 0.00 H new ATOM 0 HB VAL A 113 5.375 -4.337 -9.099 1.00 0.00 H new ATOM 0 HG11 VAL A 113 5.424 -3.241 -11.332 1.00 0.00 H new ATOM 0 HG12 VAL A 113 3.769 -3.724 -10.890 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.266 -2.020 -10.754 1.00 0.00 H new ATOM 0 HG21 VAL A 113 7.047 -2.572 -9.568 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.906 -1.337 -8.984 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.553 -2.555 -7.859 1.00 0.00 H new ATOM 1607 N ILE A 114 1.975 -4.406 -7.762 1.00 0.00 N ATOM 1608 CA ILE A 114 1.311 -5.661 -7.333 1.00 0.00 C ATOM 1609 C ILE A 114 0.562 -6.295 -8.499 1.00 0.00 C ATOM 1610 O ILE A 114 0.010 -5.620 -9.345 1.00 0.00 O ATOM 1611 CB ILE A 114 0.330 -5.347 -6.200 1.00 0.00 C ATOM 1612 CG1 ILE A 114 -0.960 -4.748 -6.772 1.00 0.00 C ATOM 1613 CG2 ILE A 114 0.963 -4.338 -5.243 1.00 0.00 C ATOM 1614 CD1 ILE A 114 -1.895 -5.872 -7.222 1.00 0.00 C ATOM 0 H ILE A 114 1.348 -3.628 -7.967 1.00 0.00 H new ATOM 0 HA ILE A 114 2.068 -6.364 -6.985 1.00 0.00 H new ATOM 0 HB ILE A 114 0.097 -6.270 -5.669 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.452 -4.132 -6.019 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -0.728 -4.096 -7.614 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.265 -4.114 -4.436 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.878 -4.758 -4.825 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.198 -3.421 -5.784 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -2.811 -5.443 -7.628 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.403 -6.469 -7.990 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -2.138 -6.506 -6.369 1.00 0.00 H new ATOM 1626 N ARG A 115 0.509 -7.593 -8.521 1.00 0.00 N ATOM 1627 CA ARG A 115 -0.239 -8.290 -9.599 1.00 0.00 C ATOM 1628 C ARG A 115 -1.154 -9.314 -8.938 1.00 0.00 C ATOM 1629 O ARG A 115 -0.703 -10.251 -8.311 1.00 0.00 O ATOM 1630 CB ARG A 115 0.718 -8.995 -10.564 1.00 0.00 C ATOM 1631 CG ARG A 115 -0.100 -9.817 -11.561 1.00 0.00 C ATOM 1632 CD ARG A 115 0.798 -10.255 -12.712 1.00 0.00 C ATOM 1633 NE ARG A 115 0.014 -10.276 -13.978 1.00 0.00 N ATOM 1634 CZ ARG A 115 0.500 -10.866 -15.036 1.00 0.00 C ATOM 1635 NH1 ARG A 115 1.792 -10.906 -15.223 1.00 0.00 N ATOM 1636 NH2 ARG A 115 -0.303 -11.415 -15.904 1.00 0.00 N ATOM 0 H ARG A 115 0.953 -8.205 -7.836 1.00 0.00 H new ATOM 0 HA ARG A 115 -0.815 -7.567 -10.176 1.00 0.00 H new ATOM 0 HB2 ARG A 115 1.329 -8.262 -11.091 1.00 0.00 H new ATOM 0 HB3 ARG A 115 1.401 -9.642 -10.013 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -0.527 -10.689 -11.066 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -0.933 -9.225 -11.940 1.00 0.00 H new ATOM 0 HD2 ARG A 115 1.643 -9.573 -12.807 1.00 0.00 H new ATOM 0 HD3 ARG A 115 1.208 -11.244 -12.510 1.00 0.00 H new ATOM 0 HE ARG A 115 -0.902 -9.830 -14.018 1.00 0.00 H new ATOM 0 HH11 ARG A 115 2.419 -10.477 -14.543 1.00 0.00 H new ATOM 0 HH12 ARG A 115 2.174 -11.367 -16.049 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -1.312 -11.384 -15.757 1.00 0.00 H new ATOM 0 HH22 ARG A 115 0.078 -11.876 -16.731 1.00 0.00 H new ATOM 1650 N ARG A 116 -2.436 -9.131 -9.050 1.00 0.00 N ATOM 1651 CA ARG A 116 -3.376 -10.082 -8.403 1.00 0.00 C ATOM 1652 C ARG A 116 -3.718 -11.211 -9.376 1.00 0.00 C ATOM 1653 O ARG A 116 -4.711 -11.159 -10.075 1.00 0.00 O ATOM 1654 CB ARG A 116 -4.657 -9.341 -8.016 1.00 0.00 C ATOM 1655 CG ARG A 116 -5.076 -9.748 -6.602 1.00 0.00 C ATOM 1656 CD ARG A 116 -5.596 -8.520 -5.850 1.00 0.00 C ATOM 1657 NE ARG A 116 -7.082 -8.578 -5.771 1.00 0.00 N ATOM 1658 CZ ARG A 116 -7.738 -7.669 -5.101 1.00 0.00 C ATOM 1659 NH1 ARG A 116 -7.528 -6.403 -5.341 1.00 0.00 N ATOM 1660 NH2 ARG A 116 -8.600 -8.026 -4.189 1.00 0.00 N ATOM 0 H ARG A 116 -2.874 -8.365 -9.561 1.00 0.00 H new ATOM 0 HA ARG A 116 -2.910 -10.502 -7.512 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -4.495 -8.264 -8.063 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -5.453 -9.574 -8.724 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -5.850 -10.515 -6.647 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -4.229 -10.181 -6.071 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -5.169 -8.486 -4.848 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -5.284 -7.609 -6.360 1.00 0.00 H new ATOM 0 HE ARG A 116 -7.588 -9.329 -6.241 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -6.852 -6.124 -6.052 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -8.040 -5.693 -4.818 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -8.762 -9.015 -3.999 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -9.112 -7.316 -3.666 1.00 0.00 H new