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= 0.296 USER MOD Single : A 31 CYS SG : rot 180:sc= -1.57! USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00361 USER MOD Single : A 37 LYS NZ :NH3+ -106:sc= 0.551 (180deg=-1.24) USER MOD Single : A 45 SER OG : rot 60:sc= 0.778 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -4.46! C(o=-4.5!,f=-5.2!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -7.24! C(o=-7.2!,f=-7.7!) USER MOD Single : A 84 GLN : amide:sc= -0.381 K(o=-0.38,f=-2.4!) USER MOD Single : A 88 THR OG1 : rot 178:sc= -5.66! USER MOD Single : A 90 MET CE :methyl 162:sc= -5.71 (180deg=-7.8!) USER MOD Single : A 91 GLN : amide:sc= -1.58! C(o=-1.6!,f=-2.8!) USER MOD Single : A 94 THR OG1 : rot -160:sc= -1.19 USER MOD Single : A 100 ASN : amide:sc= -1.66 K(o=-1.7,f=-0.35) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 349 N THR A 29 -3.924 -8.876 -13.501 1.00 0.00 N ATOM 350 CA THR A 29 -3.763 -7.416 -13.760 1.00 0.00 C ATOM 351 C THR A 29 -2.681 -6.835 -12.846 1.00 0.00 C ATOM 352 O THR A 29 -2.554 -7.215 -11.698 1.00 0.00 O ATOM 353 CB THR A 29 -5.092 -6.705 -13.491 1.00 0.00 C ATOM 354 OG1 THR A 29 -5.600 -7.120 -12.229 1.00 0.00 O ATOM 355 CG2 THR A 29 -6.095 -7.061 -14.589 1.00 0.00 C ATOM 0 HA THR A 29 -3.468 -7.268 -14.799 1.00 0.00 H new ATOM 0 HB THR A 29 -4.934 -5.627 -13.484 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.201 -7.981 -11.983 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.041 -6.554 -14.396 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.704 -6.744 -15.556 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.256 -8.139 -14.599 1.00 0.00 H new ATOM 363 N VAL A 30 -1.904 -5.911 -13.347 1.00 0.00 N ATOM 364 CA VAL A 30 -0.833 -5.296 -12.512 1.00 0.00 C ATOM 365 C VAL A 30 -1.386 -4.045 -11.824 1.00 0.00 C ATOM 366 O VAL A 30 -2.382 -3.484 -12.237 1.00 0.00 O ATOM 367 CB VAL A 30 0.359 -4.917 -13.409 1.00 0.00 C ATOM 368 CG1 VAL A 30 1.155 -3.761 -12.788 1.00 0.00 C ATOM 369 CG2 VAL A 30 1.278 -6.128 -13.564 1.00 0.00 C ATOM 0 H VAL A 30 -1.966 -5.556 -14.301 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.500 -6.006 -11.755 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.020 -4.604 -14.382 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.994 -3.507 -13.436 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.507 -2.892 -12.676 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.531 -4.062 -11.810 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.124 -5.864 -14.199 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.642 -6.436 -12.584 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.724 -6.949 -14.020 1.00 0.00 H new ATOM 379 N CYS A 31 -0.741 -3.602 -10.782 1.00 0.00 N ATOM 380 CA CYS A 31 -1.222 -2.383 -10.072 1.00 0.00 C ATOM 381 C CYS A 31 -0.025 -1.570 -9.572 1.00 0.00 C ATOM 382 O CYS A 31 0.427 -1.736 -8.456 1.00 0.00 O ATOM 383 CB CYS A 31 -2.096 -2.794 -8.885 1.00 0.00 C ATOM 384 SG CYS A 31 -3.230 -4.107 -9.397 1.00 0.00 S ATOM 0 H CYS A 31 0.098 -4.030 -10.391 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.808 -1.773 -10.759 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.471 -3.139 -8.062 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.659 -1.935 -8.519 1.00 0.00 H new ATOM 0 HG CYS A 31 -3.971 -4.458 -8.388 1.00 0.00 H new ATOM 390 N THR A 32 0.490 -0.687 -10.386 1.00 0.00 N ATOM 391 CA THR A 32 1.651 0.141 -9.951 1.00 0.00 C ATOM 392 C THR A 32 1.133 1.380 -9.212 1.00 0.00 C ATOM 393 O THR A 32 0.350 2.144 -9.740 1.00 0.00 O ATOM 394 CB THR A 32 2.455 0.580 -11.176 1.00 0.00 C ATOM 395 OG1 THR A 32 2.393 -0.437 -12.168 1.00 0.00 O ATOM 396 CG2 THR A 32 3.911 0.826 -10.774 1.00 0.00 C ATOM 0 H THR A 32 0.157 -0.504 -11.332 1.00 0.00 H new ATOM 0 HA THR A 32 2.291 -0.444 -9.290 1.00 0.00 H new ATOM 0 HB THR A 32 2.036 1.503 -11.577 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.906 -0.158 -12.955 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.482 1.139 -11.648 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.952 1.608 -10.015 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.338 -0.093 -10.372 1.00 0.00 H new ATOM 404 N VAL A 33 1.540 1.575 -7.987 1.00 0.00 N ATOM 405 CA VAL A 33 1.040 2.755 -7.215 1.00 0.00 C ATOM 406 C VAL A 33 2.147 3.367 -6.342 1.00 0.00 C ATOM 407 O VAL A 33 3.061 2.691 -5.912 1.00 0.00 O ATOM 408 CB VAL A 33 -0.105 2.312 -6.296 1.00 0.00 C ATOM 409 CG1 VAL A 33 -1.417 2.917 -6.789 1.00 0.00 C ATOM 410 CG2 VAL A 33 -0.231 0.782 -6.285 1.00 0.00 C ATOM 0 H VAL A 33 2.194 0.973 -7.487 1.00 0.00 H new ATOM 0 HA VAL A 33 0.701 3.503 -7.932 1.00 0.00 H new ATOM 0 HB VAL A 33 0.110 2.656 -5.284 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.231 2.602 -6.136 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.343 4.004 -6.778 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.615 2.577 -7.805 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.049 0.489 -5.627 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.433 0.426 -7.295 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.699 0.343 -5.925 1.00 0.00 H new ATOM 420 N THR A 34 2.042 4.645 -6.049 1.00 0.00 N ATOM 421 CA THR A 34 3.045 5.318 -5.173 1.00 0.00 C ATOM 422 C THR A 34 2.370 5.699 -3.851 1.00 0.00 C ATOM 423 O THR A 34 1.316 6.304 -3.842 1.00 0.00 O ATOM 424 CB THR A 34 3.562 6.591 -5.843 1.00 0.00 C ATOM 425 OG1 THR A 34 2.575 7.104 -6.726 1.00 0.00 O ATOM 426 CG2 THR A 34 4.860 6.301 -6.597 1.00 0.00 C ATOM 0 H THR A 34 1.295 5.252 -6.386 1.00 0.00 H new ATOM 0 HA THR A 34 3.879 4.639 -4.998 1.00 0.00 H new ATOM 0 HB THR A 34 3.770 7.339 -5.078 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.910 7.921 -7.152 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.218 7.215 -7.070 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.612 5.935 -5.899 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.676 5.546 -7.361 1.00 0.00 H new ATOM 434 N LEU A 35 2.949 5.350 -2.732 1.00 0.00 N ATOM 435 CA LEU A 35 2.297 5.705 -1.429 1.00 0.00 C ATOM 436 C LEU A 35 3.084 6.788 -0.692 1.00 0.00 C ATOM 437 O LEU A 35 3.543 6.571 0.410 1.00 0.00 O ATOM 438 CB LEU A 35 2.244 4.476 -0.546 1.00 0.00 C ATOM 439 CG LEU A 35 0.930 3.718 -0.769 1.00 0.00 C ATOM 440 CD1 LEU A 35 -0.192 4.411 0.006 1.00 0.00 C ATOM 441 CD2 LEU A 35 0.581 3.701 -2.262 1.00 0.00 C ATOM 0 H LEU A 35 3.831 4.843 -2.659 1.00 0.00 H new ATOM 0 HA LEU A 35 1.295 6.077 -1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.090 3.825 -0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.331 4.768 0.501 1.00 0.00 H new ATOM 0 HG LEU A 35 1.044 2.693 -0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.128 3.874 -0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.050 4.417 1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.299 5.437 -0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.354 3.161 -2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.470 4.724 -2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.378 3.206 -2.816 1.00 0.00 H new ATOM 453 N GLU A 36 3.221 7.939 -1.293 1.00 0.00 N ATOM 454 CA GLU A 36 3.978 9.084 -0.673 1.00 0.00 C ATOM 455 C GLU A 36 4.255 8.831 0.813 1.00 0.00 C ATOM 456 O GLU A 36 3.356 8.842 1.629 1.00 0.00 O ATOM 457 CB GLU A 36 3.156 10.368 -0.811 1.00 0.00 C ATOM 458 CG GLU A 36 2.855 10.629 -2.287 1.00 0.00 C ATOM 459 CD GLU A 36 1.353 10.473 -2.536 1.00 0.00 C ATOM 460 OE1 GLU A 36 0.603 10.544 -1.577 1.00 0.00 O ATOM 461 OE2 GLU A 36 0.980 10.289 -3.682 1.00 0.00 O ATOM 0 H GLU A 36 2.832 8.146 -2.213 1.00 0.00 H new ATOM 0 HA GLU A 36 4.931 9.180 -1.192 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.226 10.278 -0.250 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.704 11.210 -0.387 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.178 11.633 -2.563 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.413 9.931 -2.912 1.00 0.00 H new ATOM 468 N LYS A 37 5.489 8.589 1.171 1.00 0.00 N ATOM 469 CA LYS A 37 5.802 8.322 2.606 1.00 0.00 C ATOM 470 C LYS A 37 5.820 9.640 3.383 1.00 0.00 C ATOM 471 O LYS A 37 6.350 10.636 2.933 1.00 0.00 O ATOM 472 CB LYS A 37 7.174 7.653 2.726 1.00 0.00 C ATOM 473 CG LYS A 37 6.995 6.146 2.909 1.00 0.00 C ATOM 474 CD LYS A 37 8.315 5.529 3.376 1.00 0.00 C ATOM 475 CE LYS A 37 8.639 6.024 4.787 1.00 0.00 C ATOM 476 NZ LYS A 37 9.805 6.952 4.735 1.00 0.00 N ATOM 0 H LYS A 37 6.288 8.565 0.537 1.00 0.00 H new ATOM 0 HA LYS A 37 5.038 7.662 3.016 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.767 7.853 1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.720 8.070 3.572 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.210 5.948 3.639 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.680 5.690 1.971 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.243 4.441 3.368 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.118 5.800 2.691 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.774 6.534 5.212 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.863 5.179 5.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.647 6.472 5.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.980 7.235 3.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.602 7.796 5.307 1.00 0.00 H new ATOM 528 N GLY A 41 4.539 4.609 7.317 1.00 0.00 N ATOM 529 CA GLY A 41 4.807 3.234 6.807 1.00 0.00 C ATOM 530 C GLY A 41 3.839 2.912 5.666 1.00 0.00 C ATOM 531 O GLY A 41 3.185 1.888 5.668 1.00 0.00 O ATOM 0 HA2 GLY A 41 5.836 3.160 6.456 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.691 2.508 7.612 1.00 0.00 H new ATOM 535 N LEU A 42 3.749 3.781 4.690 1.00 0.00 N ATOM 536 CA LEU A 42 2.827 3.544 3.530 1.00 0.00 C ATOM 537 C LEU A 42 1.526 2.900 3.998 1.00 0.00 C ATOM 538 O LEU A 42 0.856 2.217 3.248 1.00 0.00 O ATOM 539 CB LEU A 42 3.493 2.642 2.482 1.00 0.00 C ATOM 540 CG LEU A 42 4.945 2.359 2.862 1.00 0.00 C ATOM 541 CD1 LEU A 42 5.483 1.218 2.000 1.00 0.00 C ATOM 542 CD2 LEU A 42 5.791 3.613 2.640 1.00 0.00 C ATOM 0 H LEU A 42 4.278 4.652 4.645 1.00 0.00 H new ATOM 0 HA LEU A 42 2.605 4.511 3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.944 1.704 2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.454 3.122 1.504 1.00 0.00 H new ATOM 0 HG LEU A 42 4.995 2.075 3.913 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.519 1.015 2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.883 0.323 2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.431 1.501 0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.826 3.407 2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.743 3.903 1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.408 4.425 3.259 1.00 0.00 H new ATOM 554 N GLY A 43 1.155 3.120 5.222 1.00 0.00 N ATOM 555 CA GLY A 43 -0.110 2.535 5.739 1.00 0.00 C ATOM 556 C GLY A 43 -0.231 1.057 5.351 1.00 0.00 C ATOM 557 O GLY A 43 -1.304 0.492 5.413 1.00 0.00 O ATOM 0 H GLY A 43 1.676 3.684 5.893 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.144 2.634 6.824 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.960 3.090 5.342 1.00 0.00 H new ATOM 561 N PHE A 44 0.836 0.404 4.960 1.00 0.00 N ATOM 562 CA PHE A 44 0.698 -1.028 4.605 1.00 0.00 C ATOM 563 C PHE A 44 1.908 -1.819 5.097 1.00 0.00 C ATOM 564 O PHE A 44 3.022 -1.338 5.142 1.00 0.00 O ATOM 565 CB PHE A 44 0.513 -1.192 3.081 1.00 0.00 C ATOM 566 CG PHE A 44 1.844 -1.240 2.352 1.00 0.00 C ATOM 567 CD1 PHE A 44 2.735 -2.305 2.556 1.00 0.00 C ATOM 568 CD2 PHE A 44 2.177 -0.222 1.450 1.00 0.00 C ATOM 569 CE1 PHE A 44 3.950 -2.346 1.869 1.00 0.00 C ATOM 570 CE2 PHE A 44 3.396 -0.266 0.763 1.00 0.00 C ATOM 571 CZ PHE A 44 4.280 -1.328 0.974 1.00 0.00 C ATOM 0 H PHE A 44 1.774 0.796 4.875 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.190 -1.425 5.098 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.045 -2.106 2.879 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.082 -0.364 2.696 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.480 -3.095 3.247 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.493 0.597 1.284 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.634 -3.166 2.031 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.654 0.521 0.070 1.00 0.00 H new ATOM 0 HZ PHE A 44 5.220 -1.361 0.443 1.00 0.00 H new ATOM 581 N SER A 45 1.667 -3.043 5.445 1.00 0.00 N ATOM 582 CA SER A 45 2.749 -3.956 5.929 1.00 0.00 C ATOM 583 C SER A 45 2.780 -5.180 5.012 1.00 0.00 C ATOM 584 O SER A 45 1.751 -5.704 4.631 1.00 0.00 O ATOM 585 CB SER A 45 2.446 -4.393 7.364 1.00 0.00 C ATOM 586 OG SER A 45 1.220 -3.808 7.785 1.00 0.00 O ATOM 0 H SER A 45 0.741 -3.469 5.416 1.00 0.00 H new ATOM 0 HA SER A 45 3.713 -3.447 5.913 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.382 -5.480 7.419 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.255 -4.087 8.028 1.00 0.00 H new ATOM 0 HG SER A 45 0.497 -4.099 7.190 1.00 0.00 H new ATOM 592 N LEU A 46 3.948 -5.621 4.633 1.00 0.00 N ATOM 593 CA LEU A 46 4.036 -6.792 3.707 1.00 0.00 C ATOM 594 C LEU A 46 4.191 -8.101 4.480 1.00 0.00 C ATOM 595 O LEU A 46 4.892 -8.170 5.470 1.00 0.00 O ATOM 596 CB LEU A 46 5.249 -6.619 2.788 1.00 0.00 C ATOM 597 CG LEU A 46 4.793 -6.181 1.394 1.00 0.00 C ATOM 598 CD1 LEU A 46 3.644 -5.176 1.510 1.00 0.00 C ATOM 599 CD2 LEU A 46 5.969 -5.526 0.667 1.00 0.00 C ATOM 0 H LEU A 46 4.843 -5.225 4.921 1.00 0.00 H new ATOM 0 HA LEU A 46 3.114 -6.835 3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.930 -5.877 3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.801 -7.556 2.721 1.00 0.00 H new ATOM 0 HG LEU A 46 4.448 -7.052 0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.326 -4.870 0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.807 -5.639 2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.980 -4.302 2.068 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.652 -5.211 -0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.308 -4.658 1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.786 -6.242 0.578 1.00 0.00 H new ATOM 611 N GLU A 47 3.551 -9.152 4.025 1.00 0.00 N ATOM 612 CA GLU A 47 3.689 -10.459 4.736 1.00 0.00 C ATOM 613 C GLU A 47 3.965 -11.585 3.733 1.00 0.00 C ATOM 614 O GLU A 47 3.617 -11.505 2.572 1.00 0.00 O ATOM 615 CB GLU A 47 2.408 -10.775 5.502 1.00 0.00 C ATOM 616 CG GLU A 47 2.425 -10.041 6.845 1.00 0.00 C ATOM 617 CD GLU A 47 1.112 -10.298 7.587 1.00 0.00 C ATOM 618 OE1 GLU A 47 0.685 -11.441 7.616 1.00 0.00 O ATOM 619 OE2 GLU A 47 0.555 -9.348 8.111 1.00 0.00 O ATOM 0 H GLU A 47 2.947 -9.161 3.203 1.00 0.00 H new ATOM 0 HA GLU A 47 4.524 -10.385 5.433 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.538 -10.471 4.920 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.323 -11.850 5.663 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.267 -10.382 7.447 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.560 -8.971 6.685 1.00 0.00 H new ATOM 771 N LEU A 59 5.930 -11.946 -0.827 1.00 0.00 N ATOM 772 CA LEU A 59 5.622 -10.832 0.116 1.00 0.00 C ATOM 773 C LEU A 59 4.328 -10.164 -0.341 1.00 0.00 C ATOM 774 O LEU A 59 4.237 -9.658 -1.443 1.00 0.00 O ATOM 775 CB LEU A 59 6.754 -9.807 0.110 1.00 0.00 C ATOM 776 CG LEU A 59 7.716 -10.108 1.258 1.00 0.00 C ATOM 777 CD1 LEU A 59 9.125 -10.308 0.699 1.00 0.00 C ATOM 778 CD2 LEU A 59 7.718 -8.937 2.243 1.00 0.00 C ATOM 0 HA LEU A 59 5.514 -11.223 1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.284 -9.840 -0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.349 -8.801 0.215 1.00 0.00 H new ATOM 0 HG LEU A 59 7.397 -11.014 1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.814 -10.523 1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.123 -11.142 -0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.444 -9.402 0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.404 -9.152 3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.038 -8.030 1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.713 -8.794 2.640 1.00 0.00 H new ATOM 790 N THR A 60 3.315 -10.179 0.477 1.00 0.00 N ATOM 791 CA THR A 60 2.023 -9.566 0.056 1.00 0.00 C ATOM 792 C THR A 60 1.500 -8.609 1.153 1.00 0.00 C ATOM 793 O THR A 60 1.875 -8.734 2.302 1.00 0.00 O ATOM 794 CB THR A 60 1.032 -10.700 -0.177 1.00 0.00 C ATOM 795 OG1 THR A 60 1.291 -11.736 0.756 1.00 0.00 O ATOM 796 CG2 THR A 60 1.234 -11.214 -1.599 1.00 0.00 C ATOM 0 H THR A 60 3.323 -10.586 1.412 1.00 0.00 H new ATOM 0 HA THR A 60 2.155 -8.983 -0.855 1.00 0.00 H new ATOM 0 HB THR A 60 0.006 -10.356 -0.048 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.657 -12.470 0.615 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.536 -12.028 -1.794 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.055 -10.405 -2.307 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.256 -11.576 -1.713 1.00 0.00 H new ATOM 804 N ILE A 61 0.642 -7.652 0.832 1.00 0.00 N ATOM 805 CA ILE A 61 0.142 -6.735 1.898 1.00 0.00 C ATOM 806 C ILE A 61 -0.905 -7.438 2.751 1.00 0.00 C ATOM 807 O ILE A 61 -1.933 -7.880 2.278 1.00 0.00 O ATOM 808 CB ILE A 61 -0.494 -5.503 1.278 1.00 0.00 C ATOM 809 CG1 ILE A 61 0.583 -4.617 0.649 1.00 0.00 C ATOM 810 CG2 ILE A 61 -1.212 -4.710 2.364 1.00 0.00 C ATOM 811 CD1 ILE A 61 -0.051 -3.307 0.170 1.00 0.00 C ATOM 0 H ILE A 61 0.279 -7.477 -0.105 1.00 0.00 H new ATOM 0 HA ILE A 61 0.991 -6.443 2.517 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.200 -5.815 0.509 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.369 -4.409 1.376 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.052 -5.134 -0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.671 -3.824 1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.984 -5.331 2.818 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.495 -4.407 3.127 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.715 -2.675 -0.278 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.821 -3.525 -0.570 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.499 -2.788 1.018 1.00 0.00 H new ATOM 823 N ASN A 62 -0.635 -7.527 4.009 1.00 0.00 N ATOM 824 CA ASN A 62 -1.599 -8.190 4.951 1.00 0.00 C ATOM 825 C ASN A 62 -2.272 -7.169 5.876 1.00 0.00 C ATOM 826 O ASN A 62 -3.478 -7.168 6.034 1.00 0.00 O ATOM 827 CB ASN A 62 -0.870 -9.219 5.810 1.00 0.00 C ATOM 828 CG ASN A 62 -0.762 -10.538 5.042 1.00 0.00 C ATOM 829 OD1 ASN A 62 -0.312 -10.563 3.914 1.00 0.00 O ATOM 830 ND2 ASN A 62 -1.157 -11.644 5.609 1.00 0.00 N ATOM 0 H ASN A 62 0.216 -7.171 4.444 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.364 -8.676 4.345 1.00 0.00 H new ATOM 0 HB2 ASN A 62 0.124 -8.854 6.069 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.407 -9.373 6.746 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.088 -12.528 5.105 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.535 -11.625 6.556 1.00 0.00 H new ATOM 837 N ARG A 63 -1.514 -6.321 6.511 1.00 0.00 N ATOM 838 CA ARG A 63 -2.127 -5.331 7.445 1.00 0.00 C ATOM 839 C ARG A 63 -2.090 -3.935 6.833 1.00 0.00 C ATOM 840 O ARG A 63 -1.094 -3.243 6.892 1.00 0.00 O ATOM 841 CB ARG A 63 -1.359 -5.324 8.768 1.00 0.00 C ATOM 842 CG ARG A 63 -2.267 -5.834 9.887 1.00 0.00 C ATOM 843 CD ARG A 63 -2.015 -5.021 11.157 1.00 0.00 C ATOM 844 NE ARG A 63 -1.992 -5.936 12.332 1.00 0.00 N ATOM 845 CZ ARG A 63 -2.972 -5.917 13.190 1.00 0.00 C ATOM 846 NH1 ARG A 63 -4.207 -5.882 12.769 1.00 0.00 N ATOM 847 NH2 ARG A 63 -2.718 -5.931 14.469 1.00 0.00 N ATOM 0 H ARG A 63 -0.499 -6.269 6.426 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.164 -5.615 7.625 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.472 -5.953 8.689 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.015 -4.315 8.996 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.312 -5.749 9.589 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.074 -6.890 10.074 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.068 -4.487 11.079 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.795 -4.270 11.282 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.210 -6.577 12.465 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.405 -5.870 11.768 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.975 -5.867 13.441 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.753 -5.957 14.797 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.485 -5.916 15.141 1.00 0.00 H new ATOM 861 N ILE A 64 -3.175 -3.516 6.250 1.00 0.00 N ATOM 862 CA ILE A 64 -3.213 -2.165 5.637 1.00 0.00 C ATOM 863 C ILE A 64 -3.845 -1.175 6.605 1.00 0.00 C ATOM 864 O ILE A 64 -4.732 -1.501 7.367 1.00 0.00 O ATOM 865 CB ILE A 64 -4.015 -2.215 4.342 1.00 0.00 C ATOM 866 CG1 ILE A 64 -3.217 -3.052 3.346 1.00 0.00 C ATOM 867 CG2 ILE A 64 -4.229 -0.794 3.801 1.00 0.00 C ATOM 868 CD1 ILE A 64 -3.356 -2.502 1.928 1.00 0.00 C ATOM 0 H ILE A 64 -4.039 -4.053 6.172 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.196 -1.840 5.416 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.997 -2.657 4.510 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.166 -3.061 3.634 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.564 -4.085 3.374 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.803 -0.840 2.875 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.774 -0.203 4.537 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.262 -0.330 3.606 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.777 -3.118 1.240 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.405 -2.517 1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.985 -1.477 1.897 1.00 0.00 H new ATOM 880 N PHE A 65 -3.379 0.035 6.577 1.00 0.00 N ATOM 881 CA PHE A 65 -3.930 1.071 7.495 1.00 0.00 C ATOM 882 C PHE A 65 -4.739 2.092 6.691 1.00 0.00 C ATOM 883 O PHE A 65 -4.724 2.091 5.476 1.00 0.00 O ATOM 884 CB PHE A 65 -2.776 1.775 8.212 1.00 0.00 C ATOM 885 CG PHE A 65 -1.819 0.729 8.762 1.00 0.00 C ATOM 886 CD1 PHE A 65 -2.307 -0.524 9.168 1.00 0.00 C ATOM 887 CD2 PHE A 65 -0.447 1.007 8.862 1.00 0.00 C ATOM 888 CE1 PHE A 65 -1.424 -1.495 9.671 1.00 0.00 C ATOM 889 CE2 PHE A 65 0.432 0.033 9.366 1.00 0.00 C ATOM 890 CZ PHE A 65 -0.058 -1.214 9.769 1.00 0.00 C ATOM 0 H PHE A 65 -2.636 0.357 5.956 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.581 0.599 8.231 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.253 2.437 7.522 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.159 2.396 9.021 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.362 -0.742 9.094 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.067 1.969 8.552 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.801 -2.458 9.982 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.488 0.248 9.442 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.620 -1.960 10.156 1.00 0.00 H new ATOM 1003 N GLU A 74 -7.561 3.836 -3.701 1.00 0.00 N ATOM 1004 CA GLU A 74 -7.381 2.403 -4.060 1.00 0.00 C ATOM 1005 C GLU A 74 -5.907 2.156 -4.375 1.00 0.00 C ATOM 1006 O GLU A 74 -5.562 1.347 -5.214 1.00 0.00 O ATOM 1007 CB GLU A 74 -8.231 2.067 -5.287 1.00 0.00 C ATOM 1008 CG GLU A 74 -9.672 1.805 -4.850 1.00 0.00 C ATOM 1009 CD GLU A 74 -10.243 0.631 -5.646 1.00 0.00 C ATOM 1010 OE1 GLU A 74 -9.781 -0.479 -5.440 1.00 0.00 O ATOM 1011 OE2 GLU A 74 -11.133 0.861 -6.448 1.00 0.00 O ATOM 0 HA GLU A 74 -7.694 1.772 -3.228 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.200 2.890 -6.001 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.828 1.190 -5.793 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.705 1.585 -3.783 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.279 2.696 -5.010 1.00 0.00 H new ATOM 1018 N THR A 75 -5.032 2.857 -3.706 1.00 0.00 N ATOM 1019 CA THR A 75 -3.574 2.678 -3.960 1.00 0.00 C ATOM 1020 C THR A 75 -3.025 1.571 -3.064 1.00 0.00 C ATOM 1021 O THR A 75 -1.843 1.504 -2.789 1.00 0.00 O ATOM 1022 CB THR A 75 -2.845 3.989 -3.664 1.00 0.00 C ATOM 1023 OG1 THR A 75 -2.815 4.207 -2.259 1.00 0.00 O ATOM 1024 CG2 THR A 75 -3.583 5.139 -4.345 1.00 0.00 C ATOM 0 H THR A 75 -5.265 3.548 -2.993 1.00 0.00 H new ATOM 0 HA THR A 75 -3.419 2.401 -5.003 1.00 0.00 H new ATOM 0 HB THR A 75 -1.824 3.936 -4.043 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.346 5.046 -2.068 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.067 6.076 -4.137 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.607 4.969 -5.421 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.603 5.194 -3.963 1.00 0.00 H new ATOM 1032 N VAL A 76 -3.877 0.701 -2.620 1.00 0.00 N ATOM 1033 CA VAL A 76 -3.425 -0.420 -1.751 1.00 0.00 C ATOM 1034 C VAL A 76 -4.364 -1.607 -1.949 1.00 0.00 C ATOM 1035 O VAL A 76 -5.494 -1.453 -2.366 1.00 0.00 O ATOM 1036 CB VAL A 76 -3.451 0.004 -0.284 1.00 0.00 C ATOM 1037 CG1 VAL A 76 -2.515 1.192 -0.071 1.00 0.00 C ATOM 1038 CG2 VAL A 76 -4.877 0.390 0.116 1.00 0.00 C ATOM 0 H VAL A 76 -4.877 0.715 -2.821 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.405 -0.696 -2.020 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.117 -0.828 0.335 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.538 1.490 0.977 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.499 0.908 -0.346 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.839 2.027 -0.692 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.892 0.692 1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.218 1.218 -0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.538 -0.465 -0.025 1.00 0.00 H new ATOM 1048 N GLN A 77 -3.904 -2.791 -1.672 1.00 0.00 N ATOM 1049 CA GLN A 77 -4.776 -3.982 -1.866 1.00 0.00 C ATOM 1050 C GLN A 77 -4.376 -5.074 -0.867 1.00 0.00 C ATOM 1051 O GLN A 77 -3.202 -5.312 -0.659 1.00 0.00 O ATOM 1052 CB GLN A 77 -4.599 -4.496 -3.299 1.00 0.00 C ATOM 1053 CG GLN A 77 -3.177 -4.187 -3.789 1.00 0.00 C ATOM 1054 CD GLN A 77 -3.060 -2.707 -4.172 1.00 0.00 C ATOM 1055 OE1 GLN A 77 -2.081 -2.063 -3.849 1.00 0.00 O ATOM 1056 NE2 GLN A 77 -4.020 -2.136 -4.849 1.00 0.00 N ATOM 0 H GLN A 77 -2.967 -2.988 -1.321 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.819 -3.713 -1.700 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.781 -5.570 -3.335 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -5.330 -4.027 -3.957 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.455 -4.426 -3.008 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.936 -4.813 -4.648 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.842 -2.675 -5.121 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.947 -1.152 -5.106 1.00 0.00 H new ATOM 1065 N PRO A 78 -5.358 -5.710 -0.270 1.00 0.00 N ATOM 1066 CA PRO A 78 -5.119 -6.777 0.715 1.00 0.00 C ATOM 1067 C PRO A 78 -4.814 -8.103 0.012 1.00 0.00 C ATOM 1068 O PRO A 78 -5.602 -8.599 -0.768 1.00 0.00 O ATOM 1069 CB PRO A 78 -6.444 -6.865 1.478 1.00 0.00 C ATOM 1070 CG PRO A 78 -7.526 -6.278 0.541 1.00 0.00 C ATOM 1071 CD PRO A 78 -6.790 -5.426 -0.511 1.00 0.00 C ATOM 0 HA PRO A 78 -4.267 -6.573 1.363 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -6.674 -7.898 1.739 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -6.393 -6.305 2.412 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.097 -7.074 0.063 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.236 -5.670 1.103 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -7.086 -5.701 -1.524 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.012 -4.366 -0.391 1.00 0.00 H new ATOM 1079 N GLY A 79 -3.684 -8.690 0.300 1.00 0.00 N ATOM 1080 CA GLY A 79 -3.344 -10.006 -0.342 1.00 0.00 C ATOM 1081 C GLY A 79 -2.749 -9.814 -1.747 1.00 0.00 C ATOM 1082 O GLY A 79 -2.583 -10.773 -2.476 1.00 0.00 O ATOM 0 H GLY A 79 -2.983 -8.325 0.945 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.633 -10.544 0.285 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.241 -10.622 -0.407 1.00 0.00 H new ATOM 1086 N ASP A 80 -2.411 -8.614 -2.148 1.00 0.00 N ATOM 1087 CA ASP A 80 -1.823 -8.455 -3.513 1.00 0.00 C ATOM 1088 C ASP A 80 -0.336 -8.827 -3.452 1.00 0.00 C ATOM 1089 O ASP A 80 0.285 -8.727 -2.412 1.00 0.00 O ATOM 1090 CB ASP A 80 -1.983 -7.014 -4.006 1.00 0.00 C ATOM 1091 CG ASP A 80 -2.912 -7.005 -5.223 1.00 0.00 C ATOM 1092 OD1 ASP A 80 -2.418 -7.201 -6.322 1.00 0.00 O ATOM 1093 OD2 ASP A 80 -4.100 -6.802 -5.035 1.00 0.00 O ATOM 0 H ASP A 80 -2.513 -7.757 -1.605 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.345 -9.110 -4.211 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.394 -6.388 -3.214 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.012 -6.596 -4.271 1.00 0.00 H new ATOM 1098 N GLU A 81 0.243 -9.271 -4.541 1.00 0.00 N ATOM 1099 CA GLU A 81 1.696 -9.666 -4.486 1.00 0.00 C ATOM 1100 C GLU A 81 2.609 -8.481 -4.865 1.00 0.00 C ATOM 1101 O GLU A 81 3.164 -8.450 -5.946 1.00 0.00 O ATOM 1102 CB GLU A 81 1.973 -10.828 -5.456 1.00 0.00 C ATOM 1103 CG GLU A 81 3.134 -11.669 -4.919 1.00 0.00 C ATOM 1104 CD GLU A 81 2.943 -13.128 -5.340 1.00 0.00 C ATOM 1105 OE1 GLU A 81 2.061 -13.772 -4.796 1.00 0.00 O ATOM 1106 OE2 GLU A 81 3.682 -13.577 -6.201 1.00 0.00 O ATOM 0 H GLU A 81 -0.210 -9.378 -5.449 1.00 0.00 H new ATOM 0 HA GLU A 81 1.912 -9.974 -3.463 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.082 -11.446 -5.566 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.216 -10.441 -6.445 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.081 -11.289 -5.303 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.179 -11.595 -3.832 1.00 0.00 H new ATOM 1113 N ILE A 82 2.795 -7.520 -3.988 1.00 0.00 N ATOM 1114 CA ILE A 82 3.705 -6.371 -4.321 1.00 0.00 C ATOM 1115 C ILE A 82 5.133 -6.916 -4.516 1.00 0.00 C ATOM 1116 O ILE A 82 5.661 -7.584 -3.648 1.00 0.00 O ATOM 1117 CB ILE A 82 3.682 -5.364 -3.167 1.00 0.00 C ATOM 1118 CG1 ILE A 82 2.237 -5.254 -2.637 1.00 0.00 C ATOM 1119 CG2 ILE A 82 4.177 -4.004 -3.675 1.00 0.00 C ATOM 1120 CD1 ILE A 82 1.940 -3.838 -2.125 1.00 0.00 C ATOM 0 H ILE A 82 2.362 -7.480 -3.065 1.00 0.00 H new ATOM 0 HA ILE A 82 3.375 -5.875 -5.234 1.00 0.00 H new ATOM 0 HB ILE A 82 4.335 -5.692 -2.358 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.535 -5.511 -3.430 1.00 0.00 H new ATOM 0 HG13 ILE A 82 2.086 -5.974 -1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.163 -3.283 -2.858 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.195 -4.105 -4.052 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.526 -3.656 -4.477 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.915 -3.791 -1.758 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.627 -3.592 -1.315 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.067 -3.123 -2.938 1.00 0.00 H new ATOM 1132 N LEU A 83 5.761 -6.675 -5.650 1.00 0.00 N ATOM 1133 CA LEU A 83 7.140 -7.236 -5.858 1.00 0.00 C ATOM 1134 C LEU A 83 8.233 -6.284 -5.339 1.00 0.00 C ATOM 1135 O LEU A 83 9.242 -6.726 -4.827 1.00 0.00 O ATOM 1136 CB LEU A 83 7.373 -7.504 -7.346 1.00 0.00 C ATOM 1137 CG LEU A 83 7.067 -6.250 -8.166 1.00 0.00 C ATOM 1138 CD1 LEU A 83 8.208 -5.998 -9.152 1.00 0.00 C ATOM 1139 CD2 LEU A 83 5.763 -6.454 -8.941 1.00 0.00 C ATOM 0 H LEU A 83 5.387 -6.126 -6.424 1.00 0.00 H new ATOM 0 HA LEU A 83 7.203 -8.165 -5.292 1.00 0.00 H new ATOM 0 HB2 LEU A 83 8.406 -7.811 -7.510 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.740 -8.327 -7.678 1.00 0.00 H new ATOM 0 HG LEU A 83 6.965 -5.394 -7.499 1.00 0.00 H new ATOM 0 HD11 LEU A 83 7.992 -5.104 -9.738 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.139 -5.856 -8.603 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.308 -6.854 -9.819 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.544 -5.561 -9.526 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.867 -7.309 -9.609 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.948 -6.638 -8.241 1.00 0.00 H new ATOM 1151 N GLN A 84 8.065 -4.992 -5.463 1.00 0.00 N ATOM 1152 CA GLN A 84 9.120 -4.059 -4.975 1.00 0.00 C ATOM 1153 C GLN A 84 8.460 -2.912 -4.220 1.00 0.00 C ATOM 1154 O GLN A 84 7.267 -2.701 -4.311 1.00 0.00 O ATOM 1155 CB GLN A 84 9.895 -3.488 -6.164 1.00 0.00 C ATOM 1156 CG GLN A 84 11.391 -3.750 -5.989 1.00 0.00 C ATOM 1157 CD GLN A 84 12.183 -2.562 -6.535 1.00 0.00 C ATOM 1158 OE1 GLN A 84 11.702 -1.447 -6.541 1.00 0.00 O ATOM 1159 NE2 GLN A 84 13.388 -2.757 -6.998 1.00 0.00 N ATOM 0 H GLN A 84 7.247 -4.547 -5.879 1.00 0.00 H new ATOM 0 HA GLN A 84 9.804 -4.598 -4.319 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.544 -3.944 -7.090 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.712 -2.417 -6.247 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.624 -3.902 -4.935 1.00 0.00 H new ATOM 0 HG3 GLN A 84 11.675 -4.662 -6.513 1.00 0.00 H new ATOM 0 HE21 GLN A 84 13.791 -3.694 -6.992 1.00 0.00 H new ATOM 0 HE22 GLN A 84 13.926 -1.972 -7.365 1.00 0.00 H new ATOM 1168 N LEU A 85 9.224 -2.163 -3.482 1.00 0.00 N ATOM 1169 CA LEU A 85 8.634 -1.029 -2.730 1.00 0.00 C ATOM 1170 C LEU A 85 9.468 0.226 -2.992 1.00 0.00 C ATOM 1171 O LEU A 85 10.330 0.238 -3.849 1.00 0.00 O ATOM 1172 CB LEU A 85 8.654 -1.366 -1.244 1.00 0.00 C ATOM 1173 CG LEU A 85 7.241 -1.305 -0.669 1.00 0.00 C ATOM 1174 CD1 LEU A 85 6.624 0.070 -0.943 1.00 0.00 C ATOM 1175 CD2 LEU A 85 6.390 -2.400 -1.316 1.00 0.00 C ATOM 0 H LEU A 85 10.230 -2.287 -3.367 1.00 0.00 H new ATOM 0 HA LEU A 85 7.607 -0.852 -3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.072 -2.362 -1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.300 -0.666 -0.714 1.00 0.00 H new ATOM 0 HG LEU A 85 7.278 -1.462 0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.616 0.105 -0.530 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.235 0.843 -0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.581 0.242 -2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.379 -2.363 -0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.354 -2.244 -2.394 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.830 -3.375 -1.105 1.00 0.00 H new ATOM 1187 N GLY A 86 9.227 1.280 -2.262 1.00 0.00 N ATOM 1188 CA GLY A 86 10.016 2.523 -2.474 1.00 0.00 C ATOM 1189 C GLY A 86 11.492 2.166 -2.628 1.00 0.00 C ATOM 1190 O GLY A 86 12.250 2.883 -3.251 1.00 0.00 O ATOM 0 H GLY A 86 8.519 1.333 -1.530 1.00 0.00 H new ATOM 0 HA2 GLY A 86 9.662 3.045 -3.363 1.00 0.00 H new ATOM 0 HA3 GLY A 86 9.880 3.201 -1.632 1.00 0.00 H new ATOM 1194 N GLY A 87 11.915 1.063 -2.067 1.00 0.00 N ATOM 1195 CA GLY A 87 13.358 0.683 -2.202 1.00 0.00 C ATOM 1196 C GLY A 87 13.594 -0.738 -1.679 1.00 0.00 C ATOM 1197 O GLY A 87 14.584 -1.001 -1.027 1.00 0.00 O ATOM 0 H GLY A 87 11.337 0.417 -1.529 1.00 0.00 H new ATOM 0 HA2 GLY A 87 13.660 0.746 -3.248 1.00 0.00 H new ATOM 0 HA3 GLY A 87 13.978 1.388 -1.648 1.00 0.00 H new ATOM 1201 N THR A 88 12.725 -1.671 -1.978 1.00 0.00 N ATOM 1202 CA THR A 88 12.972 -3.062 -1.505 1.00 0.00 C ATOM 1203 C THR A 88 12.309 -4.023 -2.495 1.00 0.00 C ATOM 1204 O THR A 88 11.142 -3.897 -2.805 1.00 0.00 O ATOM 1205 CB THR A 88 12.389 -3.290 -0.087 1.00 0.00 C ATOM 1206 OG1 THR A 88 13.268 -4.141 0.632 1.00 0.00 O ATOM 1207 CG2 THR A 88 11.032 -4.003 -0.165 1.00 0.00 C ATOM 0 H THR A 88 11.871 -1.532 -2.519 1.00 0.00 H new ATOM 0 HA THR A 88 14.046 -3.237 -1.451 1.00 0.00 H new ATOM 0 HB THR A 88 12.271 -2.321 0.398 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.925 -4.274 1.540 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.641 -4.153 0.841 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.333 -3.394 -0.739 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.156 -4.969 -0.653 1.00 0.00 H new ATOM 1215 N ALA A 89 13.027 -4.983 -2.974 1.00 0.00 N ATOM 1216 CA ALA A 89 12.415 -5.947 -3.922 1.00 0.00 C ATOM 1217 C ALA A 89 12.083 -7.239 -3.191 1.00 0.00 C ATOM 1218 O ALA A 89 12.952 -7.954 -2.741 1.00 0.00 O ATOM 1219 CB ALA A 89 13.376 -6.236 -5.054 1.00 0.00 C ATOM 0 H ALA A 89 14.010 -5.147 -2.754 1.00 0.00 H new ATOM 0 HA ALA A 89 11.501 -5.516 -4.331 1.00 0.00 H new ATOM 0 HB1 ALA A 89 12.921 -6.944 -5.746 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.606 -5.310 -5.581 1.00 0.00 H new ATOM 0 HB3 ALA A 89 14.295 -6.662 -4.651 1.00 0.00 H new ATOM 1225 N MET A 90 10.827 -7.541 -3.076 1.00 0.00 N ATOM 1226 CA MET A 90 10.418 -8.781 -2.372 1.00 0.00 C ATOM 1227 C MET A 90 11.227 -9.958 -2.903 1.00 0.00 C ATOM 1228 O MET A 90 12.060 -10.516 -2.215 1.00 0.00 O ATOM 1229 CB MET A 90 8.930 -9.044 -2.624 1.00 0.00 C ATOM 1230 CG MET A 90 8.092 -7.819 -2.231 1.00 0.00 C ATOM 1231 SD MET A 90 8.665 -7.149 -0.648 1.00 0.00 S ATOM 1232 CE MET A 90 8.426 -5.399 -1.044 1.00 0.00 C ATOM 0 H MET A 90 10.059 -6.978 -3.442 1.00 0.00 H new ATOM 0 HA MET A 90 10.596 -8.664 -1.303 1.00 0.00 H new ATOM 0 HB2 MET A 90 8.770 -9.279 -3.676 1.00 0.00 H new ATOM 0 HB3 MET A 90 8.606 -9.912 -2.050 1.00 0.00 H new ATOM 0 HG2 MET A 90 8.166 -7.055 -3.005 1.00 0.00 H new ATOM 0 HG3 MET A 90 7.041 -8.097 -2.157 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.409 -4.816 -0.123 1.00 0.00 H new ATOM 0 HE2 MET A 90 9.244 -5.054 -1.677 1.00 0.00 H new ATOM 0 HE3 MET A 90 7.481 -5.271 -1.571 1.00 0.00 H new ATOM 1242 N GLN A 91 10.961 -10.369 -4.107 1.00 0.00 N ATOM 1243 CA GLN A 91 11.698 -11.556 -4.661 1.00 0.00 C ATOM 1244 C GLN A 91 13.205 -11.537 -4.329 1.00 0.00 C ATOM 1245 O GLN A 91 13.811 -12.585 -4.223 1.00 0.00 O ATOM 1246 CB GLN A 91 11.478 -11.672 -6.190 1.00 0.00 C ATOM 1247 CG GLN A 91 10.024 -12.086 -6.536 1.00 0.00 C ATOM 1248 CD GLN A 91 9.224 -12.429 -5.271 1.00 0.00 C ATOM 1249 OE1 GLN A 91 9.484 -13.425 -4.625 1.00 0.00 O ATOM 1250 NE2 GLN A 91 8.257 -11.639 -4.890 1.00 0.00 N ATOM 0 H GLN A 91 10.275 -9.947 -4.733 1.00 0.00 H new ATOM 0 HA GLN A 91 11.281 -12.437 -4.173 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.706 -10.717 -6.663 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.172 -12.405 -6.602 1.00 0.00 H new ATOM 0 HG2 GLN A 91 9.531 -11.275 -7.072 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.038 -12.947 -7.204 1.00 0.00 H new ATOM 0 HE21 GLN A 91 8.038 -10.803 -5.432 1.00 0.00 H new ATOM 0 HE22 GLN A 91 7.720 -11.858 -4.051 1.00 0.00 H new ATOM 1259 N GLY A 92 13.831 -10.407 -4.133 1.00 0.00 N ATOM 1260 CA GLY A 92 15.273 -10.433 -3.781 1.00 0.00 C ATOM 1261 C GLY A 92 15.399 -9.978 -2.333 1.00 0.00 C ATOM 1262 O GLY A 92 16.229 -9.156 -1.999 1.00 0.00 O ATOM 0 H GLY A 92 13.410 -9.481 -4.201 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.680 -11.437 -3.904 1.00 0.00 H new ATOM 0 HA3 GLY A 92 15.840 -9.776 -4.440 1.00 0.00 H new ATOM 1266 N LEU A 93 14.561 -10.490 -1.467 1.00 0.00 N ATOM 1267 CA LEU A 93 14.620 -10.065 -0.050 1.00 0.00 C ATOM 1268 C LEU A 93 13.689 -10.943 0.782 1.00 0.00 C ATOM 1269 O LEU A 93 12.653 -11.381 0.322 1.00 0.00 O ATOM 1270 CB LEU A 93 14.172 -8.604 0.050 1.00 0.00 C ATOM 1271 CG LEU A 93 15.383 -7.719 0.345 1.00 0.00 C ATOM 1272 CD1 LEU A 93 15.088 -6.288 -0.110 1.00 0.00 C ATOM 1273 CD2 LEU A 93 15.675 -7.735 1.848 1.00 0.00 C ATOM 0 H LEU A 93 13.844 -11.181 -1.686 1.00 0.00 H new ATOM 0 HA LEU A 93 15.639 -10.164 0.325 1.00 0.00 H new ATOM 0 HB2 LEU A 93 13.699 -8.293 -0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 93 13.427 -8.494 0.838 1.00 0.00 H new ATOM 0 HG LEU A 93 16.252 -8.097 -0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.950 -5.655 0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 93 14.884 -6.281 -1.181 1.00 0.00 H new ATOM 0 HD13 LEU A 93 14.219 -5.907 0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 93 16.539 -7.104 2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 93 14.809 -7.357 2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 93 15.886 -8.756 2.167 1.00 0.00 H new ATOM 1285 N THR A 94 14.042 -11.191 2.005 1.00 0.00 N ATOM 1286 CA THR A 94 13.169 -12.026 2.876 1.00 0.00 C ATOM 1287 C THR A 94 11.908 -11.233 3.195 1.00 0.00 C ATOM 1288 O THR A 94 11.827 -10.051 2.930 1.00 0.00 O ATOM 1289 CB THR A 94 13.892 -12.357 4.184 1.00 0.00 C ATOM 1290 OG1 THR A 94 15.296 -12.246 3.994 1.00 0.00 O ATOM 1291 CG2 THR A 94 13.543 -13.780 4.624 1.00 0.00 C ATOM 0 H THR A 94 14.898 -10.853 2.444 1.00 0.00 H new ATOM 0 HA THR A 94 12.921 -12.955 2.362 1.00 0.00 H new ATOM 0 HB THR A 94 13.575 -11.656 4.956 1.00 0.00 H new ATOM 0 HG1 THR A 94 15.762 -12.747 4.696 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.060 -14.010 5.555 1.00 0.00 H new ATOM 0 HG22 THR A 94 12.467 -13.860 4.777 1.00 0.00 H new ATOM 0 HG23 THR A 94 13.853 -14.486 3.853 1.00 0.00 H new ATOM 1299 N ARG A 95 10.921 -11.862 3.760 1.00 0.00 N ATOM 1300 CA ARG A 95 9.673 -11.092 4.078 1.00 0.00 C ATOM 1301 C ARG A 95 10.013 -9.952 5.040 1.00 0.00 C ATOM 1302 O ARG A 95 9.752 -8.798 4.763 1.00 0.00 O ATOM 1303 CB ARG A 95 8.593 -11.976 4.719 1.00 0.00 C ATOM 1304 CG ARG A 95 7.341 -11.129 4.948 1.00 0.00 C ATOM 1305 CD ARG A 95 7.357 -10.554 6.363 1.00 0.00 C ATOM 1306 NE ARG A 95 6.217 -11.122 7.136 1.00 0.00 N ATOM 1307 CZ ARG A 95 6.071 -10.830 8.400 1.00 0.00 C ATOM 1308 NH1 ARG A 95 6.417 -9.653 8.844 1.00 0.00 N ATOM 1309 NH2 ARG A 95 5.574 -11.716 9.219 1.00 0.00 N ATOM 0 H ARG A 95 10.913 -12.850 4.013 1.00 0.00 H new ATOM 0 HA ARG A 95 9.278 -10.705 3.139 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.364 -12.822 4.072 1.00 0.00 H new ATOM 0 HB3 ARG A 95 8.951 -12.385 5.664 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.299 -10.321 4.218 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.448 -11.737 4.803 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.300 -10.793 6.855 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.282 -9.467 6.328 1.00 0.00 H new ATOM 0 HE ARG A 95 5.549 -11.741 6.676 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.802 -8.959 8.203 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.302 -9.427 9.832 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.300 -12.635 8.871 1.00 0.00 H new ATOM 0 HH22 ARG A 95 5.459 -11.490 10.207 1.00 0.00 H new ATOM 1323 N PHE A 96 10.590 -10.259 6.169 1.00 0.00 N ATOM 1324 CA PHE A 96 10.936 -9.181 7.136 1.00 0.00 C ATOM 1325 C PHE A 96 11.957 -8.242 6.501 1.00 0.00 C ATOM 1326 O PHE A 96 11.774 -7.041 6.472 1.00 0.00 O ATOM 1327 CB PHE A 96 11.529 -9.795 8.407 1.00 0.00 C ATOM 1328 CG PHE A 96 10.754 -11.034 8.779 1.00 0.00 C ATOM 1329 CD1 PHE A 96 9.455 -10.920 9.288 1.00 0.00 C ATOM 1330 CD2 PHE A 96 11.334 -12.298 8.617 1.00 0.00 C ATOM 1331 CE1 PHE A 96 8.736 -12.071 9.635 1.00 0.00 C ATOM 1332 CE2 PHE A 96 10.615 -13.448 8.963 1.00 0.00 C ATOM 1333 CZ PHE A 96 9.317 -13.334 9.472 1.00 0.00 C ATOM 0 H PHE A 96 10.836 -11.205 6.462 1.00 0.00 H new ATOM 0 HA PHE A 96 10.035 -8.624 7.393 1.00 0.00 H new ATOM 0 HB2 PHE A 96 12.578 -10.044 8.247 1.00 0.00 H new ATOM 0 HB3 PHE A 96 11.493 -9.073 9.223 1.00 0.00 H new ATOM 0 HD1 PHE A 96 9.007 -9.945 9.413 1.00 0.00 H new ATOM 0 HD2 PHE A 96 12.336 -12.386 8.225 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.734 -11.984 10.028 1.00 0.00 H new ATOM 0 HE2 PHE A 96 11.062 -14.423 8.837 1.00 0.00 H new ATOM 0 HZ PHE A 96 8.763 -14.221 9.739 1.00 0.00 H new ATOM 1343 N GLU A 97 13.029 -8.774 5.986 1.00 0.00 N ATOM 1344 CA GLU A 97 14.047 -7.898 5.352 1.00 0.00 C ATOM 1345 C GLU A 97 13.355 -6.986 4.340 1.00 0.00 C ATOM 1346 O GLU A 97 13.601 -5.799 4.293 1.00 0.00 O ATOM 1347 CB GLU A 97 15.104 -8.747 4.648 1.00 0.00 C ATOM 1348 CG GLU A 97 15.817 -9.628 5.677 1.00 0.00 C ATOM 1349 CD GLU A 97 17.122 -8.954 6.105 1.00 0.00 C ATOM 1350 OE1 GLU A 97 17.382 -7.857 5.636 1.00 0.00 O ATOM 1351 OE2 GLU A 97 17.841 -9.546 6.893 1.00 0.00 O ATOM 0 H GLU A 97 13.242 -9.771 5.977 1.00 0.00 H new ATOM 0 HA GLU A 97 14.537 -7.295 6.117 1.00 0.00 H new ATOM 0 HB2 GLU A 97 14.637 -9.367 3.883 1.00 0.00 H new ATOM 0 HB3 GLU A 97 15.824 -8.104 4.142 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.175 -9.786 6.544 1.00 0.00 H new ATOM 0 HG3 GLU A 97 16.024 -10.609 5.251 1.00 0.00 H new ATOM 1358 N ALA A 98 12.483 -7.527 3.533 1.00 0.00 N ATOM 1359 CA ALA A 98 11.779 -6.680 2.530 1.00 0.00 C ATOM 1360 C ALA A 98 11.088 -5.515 3.223 1.00 0.00 C ATOM 1361 O ALA A 98 11.446 -4.368 3.037 1.00 0.00 O ATOM 1362 CB ALA A 98 10.739 -7.522 1.788 1.00 0.00 C ATOM 0 H ALA A 98 12.229 -8.515 3.525 1.00 0.00 H new ATOM 0 HA ALA A 98 12.508 -6.290 1.820 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.225 -6.901 1.054 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.236 -8.348 1.280 1.00 0.00 H new ATOM 0 HB3 ALA A 98 10.015 -7.917 2.501 1.00 0.00 H new ATOM 1368 N TRP A 99 10.095 -5.789 4.008 1.00 0.00 N ATOM 1369 CA TRP A 99 9.373 -4.675 4.698 1.00 0.00 C ATOM 1370 C TRP A 99 10.345 -3.853 5.565 1.00 0.00 C ATOM 1371 O TRP A 99 10.001 -2.789 6.040 1.00 0.00 O ATOM 1372 CB TRP A 99 8.248 -5.257 5.567 1.00 0.00 C ATOM 1373 CG TRP A 99 7.410 -4.151 6.115 1.00 0.00 C ATOM 1374 CD1 TRP A 99 6.968 -4.072 7.391 1.00 0.00 C ATOM 1375 CD2 TRP A 99 6.900 -2.975 5.429 1.00 0.00 C ATOM 1376 NE1 TRP A 99 6.219 -2.918 7.532 1.00 0.00 N ATOM 1377 CE2 TRP A 99 6.149 -2.208 6.350 1.00 0.00 C ATOM 1378 CE3 TRP A 99 7.015 -2.503 4.111 1.00 0.00 C ATOM 1379 CZ2 TRP A 99 5.536 -1.015 5.975 1.00 0.00 C ATOM 1380 CZ3 TRP A 99 6.403 -1.306 3.731 1.00 0.00 C ATOM 1381 CH2 TRP A 99 5.664 -0.561 4.660 1.00 0.00 C ATOM 0 H TRP A 99 9.747 -6.727 4.207 1.00 0.00 H new ATOM 0 HA TRP A 99 8.944 -4.011 3.947 1.00 0.00 H new ATOM 0 HB2 TRP A 99 7.632 -5.934 4.975 1.00 0.00 H new ATOM 0 HB3 TRP A 99 8.672 -5.843 6.383 1.00 0.00 H new ATOM 0 HD1 TRP A 99 7.167 -4.792 8.171 1.00 0.00 H new ATOM 0 HE1 TRP A 99 5.773 -2.627 8.402 1.00 0.00 H new ATOM 0 HE3 TRP A 99 7.581 -3.070 3.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 4.967 -0.446 6.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 6.500 -0.953 2.715 1.00 0.00 H new ATOM 0 HH2 TRP A 99 5.194 0.364 4.359 1.00 0.00 H new ATOM 1392 N ASN A 100 11.550 -4.324 5.784 1.00 0.00 N ATOM 1393 CA ASN A 100 12.509 -3.545 6.625 1.00 0.00 C ATOM 1394 C ASN A 100 13.215 -2.451 5.796 1.00 0.00 C ATOM 1395 O ASN A 100 13.297 -1.316 6.224 1.00 0.00 O ATOM 1396 CB ASN A 100 13.553 -4.491 7.233 1.00 0.00 C ATOM 1397 CG ASN A 100 13.003 -5.091 8.528 1.00 0.00 C ATOM 1398 OD1 ASN A 100 13.713 -5.201 9.508 1.00 0.00 O ATOM 1399 ND2 ASN A 100 11.761 -5.485 8.575 1.00 0.00 N ATOM 0 H ASN A 100 11.907 -5.207 5.419 1.00 0.00 H new ATOM 0 HA ASN A 100 11.947 -3.059 7.422 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.796 -5.284 6.526 1.00 0.00 H new ATOM 0 HB3 ASN A 100 14.477 -3.949 7.434 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.385 -5.886 9.434 1.00 0.00 H new ATOM 0 HD22 ASN A 100 11.165 -5.393 7.752 1.00 0.00 H new ATOM 1406 N ILE A 101 13.733 -2.758 4.626 1.00 0.00 N ATOM 1407 CA ILE A 101 14.421 -1.697 3.828 1.00 0.00 C ATOM 1408 C ILE A 101 13.459 -0.540 3.592 1.00 0.00 C ATOM 1409 O ILE A 101 13.828 0.616 3.666 1.00 0.00 O ATOM 1410 CB ILE A 101 14.864 -2.253 2.475 1.00 0.00 C ATOM 1411 CG1 ILE A 101 15.987 -3.257 2.685 1.00 0.00 C ATOM 1412 CG2 ILE A 101 15.348 -1.111 1.586 1.00 0.00 C ATOM 1413 CD1 ILE A 101 15.368 -4.637 2.860 1.00 0.00 C ATOM 0 H ILE A 101 13.708 -3.683 4.198 1.00 0.00 H new ATOM 0 HA ILE A 101 15.296 -1.355 4.381 1.00 0.00 H new ATOM 0 HB ILE A 101 14.023 -2.749 1.991 1.00 0.00 H new ATOM 0 HG12 ILE A 101 16.666 -3.251 1.832 1.00 0.00 H new ATOM 0 HG13 ILE A 101 16.575 -2.991 3.563 1.00 0.00 H new ATOM 0 HG21 ILE A 101 15.664 -1.509 0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 101 14.537 -0.398 1.436 1.00 0.00 H new ATOM 0 HG23 ILE A 101 16.189 -0.609 2.064 1.00 0.00 H new ATOM 0 HD11 ILE A 101 16.157 -5.373 3.012 1.00 0.00 H new ATOM 0 HD12 ILE A 101 14.705 -4.631 3.725 1.00 0.00 H new ATOM 0 HD13 ILE A 101 14.798 -4.896 1.968 1.00 0.00 H new ATOM 1425 N ILE A 102 12.223 -0.842 3.318 1.00 0.00 N ATOM 1426 CA ILE A 102 11.233 0.240 3.087 1.00 0.00 C ATOM 1427 C ILE A 102 11.285 1.198 4.268 1.00 0.00 C ATOM 1428 O ILE A 102 11.683 2.339 4.154 1.00 0.00 O ATOM 1429 CB ILE A 102 9.850 -0.396 2.999 1.00 0.00 C ATOM 1430 CG1 ILE A 102 9.572 -0.779 1.575 1.00 0.00 C ATOM 1431 CG2 ILE A 102 8.756 0.551 3.503 1.00 0.00 C ATOM 1432 CD1 ILE A 102 9.710 -2.281 1.531 1.00 0.00 C ATOM 0 H ILE A 102 11.857 -1.791 3.244 1.00 0.00 H new ATOM 0 HA ILE A 102 11.450 0.783 2.167 1.00 0.00 H new ATOM 0 HB ILE A 102 9.841 -1.280 3.636 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.573 -0.467 1.272 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.276 -0.299 0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.786 0.061 3.424 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.949 0.808 4.545 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.754 1.459 2.900 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.520 -2.634 0.517 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.720 -2.563 1.830 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.990 -2.733 2.214 1.00 0.00 H new ATOM 1444 N LYS A 103 10.874 0.722 5.403 1.00 0.00 N ATOM 1445 CA LYS A 103 10.882 1.582 6.623 1.00 0.00 C ATOM 1446 C LYS A 103 12.176 2.396 6.672 1.00 0.00 C ATOM 1447 O LYS A 103 12.207 3.506 7.164 1.00 0.00 O ATOM 1448 CB LYS A 103 10.797 0.703 7.876 1.00 0.00 C ATOM 1449 CG LYS A 103 9.525 -0.146 7.831 1.00 0.00 C ATOM 1450 CD LYS A 103 8.367 0.635 8.452 1.00 0.00 C ATOM 1451 CE LYS A 103 7.479 -0.321 9.250 1.00 0.00 C ATOM 1452 NZ LYS A 103 8.008 -0.452 10.637 1.00 0.00 N ATOM 0 H LYS A 103 10.531 -0.228 5.545 1.00 0.00 H new ATOM 0 HA LYS A 103 10.026 2.255 6.588 1.00 0.00 H new ATOM 0 HB2 LYS A 103 11.673 0.058 7.938 1.00 0.00 H new ATOM 0 HB3 LYS A 103 10.797 1.327 8.770 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.288 -0.410 6.800 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.679 -1.080 8.372 1.00 0.00 H new ATOM 0 HD2 LYS A 103 8.751 1.420 9.103 1.00 0.00 H new ATOM 0 HD3 LYS A 103 7.784 1.124 7.672 1.00 0.00 H new ATOM 0 HE2 LYS A 103 6.455 0.052 9.274 1.00 0.00 H new ATOM 0 HE3 LYS A 103 7.451 -1.297 8.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 7.404 -1.102 11.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 8.978 -0.826 10.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 8.012 0.481 11.097 1.00 0.00 H new ATOM 1466 N ALA A 104 13.245 1.839 6.183 1.00 0.00 N ATOM 1467 CA ALA A 104 14.553 2.561 6.216 1.00 0.00 C ATOM 1468 C ALA A 104 14.683 3.538 5.037 1.00 0.00 C ATOM 1469 O ALA A 104 15.573 4.363 5.010 1.00 0.00 O ATOM 1470 CB ALA A 104 15.694 1.543 6.151 1.00 0.00 C ATOM 0 H ALA A 104 13.274 0.912 5.759 1.00 0.00 H new ATOM 0 HA ALA A 104 14.603 3.132 7.143 1.00 0.00 H new ATOM 0 HB1 ALA A 104 16.650 2.066 6.175 1.00 0.00 H new ATOM 0 HB2 ALA A 104 15.628 0.868 7.004 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.617 0.969 5.228 1.00 0.00 H new ATOM 1476 N LEU A 105 13.822 3.457 4.060 1.00 0.00 N ATOM 1477 CA LEU A 105 13.932 4.385 2.898 1.00 0.00 C ATOM 1478 C LEU A 105 13.603 5.816 3.345 1.00 0.00 C ATOM 1479 O LEU A 105 13.249 6.039 4.486 1.00 0.00 O ATOM 1480 CB LEU A 105 12.942 3.933 1.823 1.00 0.00 C ATOM 1481 CG LEU A 105 13.708 3.247 0.693 1.00 0.00 C ATOM 1482 CD1 LEU A 105 13.335 1.765 0.645 1.00 0.00 C ATOM 1483 CD2 LEU A 105 13.350 3.904 -0.643 1.00 0.00 C ATOM 0 H LEU A 105 13.050 2.792 4.015 1.00 0.00 H new ATOM 0 HA LEU A 105 14.946 4.369 2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.210 3.248 2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 105 12.390 4.790 1.437 1.00 0.00 H new ATOM 0 HG LEU A 105 14.778 3.347 0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 105 13.883 1.278 -0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 105 13.592 1.294 1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 105 12.264 1.665 0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 105 13.897 3.413 -1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 105 12.279 3.807 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 105 13.619 4.960 -0.613 1.00 0.00 H new ATOM 1495 N PRO A 106 13.730 6.746 2.427 1.00 0.00 N ATOM 1496 CA PRO A 106 13.450 8.169 2.692 1.00 0.00 C ATOM 1497 C PRO A 106 11.948 8.458 2.600 1.00 0.00 C ATOM 1498 O PRO A 106 11.152 7.587 2.312 1.00 0.00 O ATOM 1499 CB PRO A 106 14.208 8.895 1.578 1.00 0.00 C ATOM 1500 CG PRO A 106 14.392 7.869 0.433 1.00 0.00 C ATOM 1501 CD PRO A 106 14.181 6.472 1.047 1.00 0.00 C ATOM 0 HA PRO A 106 13.755 8.481 3.691 1.00 0.00 H new ATOM 0 HB2 PRO A 106 13.651 9.766 1.233 1.00 0.00 H new ATOM 0 HB3 PRO A 106 15.173 9.255 1.936 1.00 0.00 H new ATOM 0 HG2 PRO A 106 13.675 8.051 -0.368 1.00 0.00 H new ATOM 0 HG3 PRO A 106 15.387 7.953 -0.004 1.00 0.00 H new ATOM 0 HD2 PRO A 106 13.437 5.901 0.491 1.00 0.00 H new ATOM 0 HD3 PRO A 106 15.102 5.890 1.038 1.00 0.00 H new ATOM 1509 N ASP A 107 11.559 9.681 2.844 1.00 0.00 N ATOM 1510 CA ASP A 107 10.115 10.044 2.773 1.00 0.00 C ATOM 1511 C ASP A 107 9.807 10.659 1.406 1.00 0.00 C ATOM 1512 O ASP A 107 9.929 11.852 1.211 1.00 0.00 O ATOM 1513 CB ASP A 107 9.792 11.060 3.871 1.00 0.00 C ATOM 1514 CG ASP A 107 9.800 10.361 5.231 1.00 0.00 C ATOM 1515 OD1 ASP A 107 10.855 9.895 5.630 1.00 0.00 O ATOM 1516 OD2 ASP A 107 8.751 10.303 5.851 1.00 0.00 O ATOM 0 H ASP A 107 12.184 10.448 3.091 1.00 0.00 H new ATOM 0 HA ASP A 107 9.509 9.149 2.913 1.00 0.00 H new ATOM 0 HB2 ASP A 107 10.524 11.867 3.861 1.00 0.00 H new ATOM 0 HB3 ASP A 107 8.817 11.512 3.688 1.00 0.00 H new ATOM 1521 N GLY A 108 9.408 9.857 0.461 1.00 0.00 N ATOM 1522 CA GLY A 108 9.091 10.403 -0.896 1.00 0.00 C ATOM 1523 C GLY A 108 8.053 9.506 -1.577 1.00 0.00 C ATOM 1524 O GLY A 108 7.169 8.984 -0.928 1.00 0.00 O ATOM 0 H GLY A 108 9.286 8.850 0.564 1.00 0.00 H new ATOM 0 HA2 GLY A 108 8.708 11.420 -0.810 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.997 10.453 -1.500 1.00 0.00 H new ATOM 1528 N PRO A 109 8.196 9.350 -2.870 1.00 0.00 N ATOM 1529 CA PRO A 109 7.282 8.516 -3.672 1.00 0.00 C ATOM 1530 C PRO A 109 7.600 7.035 -3.469 1.00 0.00 C ATOM 1531 O PRO A 109 8.477 6.483 -4.104 1.00 0.00 O ATOM 1532 CB PRO A 109 7.571 8.948 -5.113 1.00 0.00 C ATOM 1533 CG PRO A 109 8.988 9.567 -5.107 1.00 0.00 C ATOM 1534 CD PRO A 109 9.277 9.986 -3.652 1.00 0.00 C ATOM 0 HA PRO A 109 6.234 8.641 -3.400 1.00 0.00 H new ATOM 0 HB2 PRO A 109 7.522 8.096 -5.791 1.00 0.00 H new ATOM 0 HB3 PRO A 109 6.832 9.672 -5.457 1.00 0.00 H new ATOM 0 HG2 PRO A 109 9.727 8.847 -5.457 1.00 0.00 H new ATOM 0 HG3 PRO A 109 9.039 10.426 -5.775 1.00 0.00 H new ATOM 0 HD2 PRO A 109 10.259 9.643 -3.326 1.00 0.00 H new ATOM 0 HD3 PRO A 109 9.265 11.070 -3.540 1.00 0.00 H new ATOM 1542 N VAL A 110 6.883 6.386 -2.594 1.00 0.00 N ATOM 1543 CA VAL A 110 7.126 4.941 -2.359 1.00 0.00 C ATOM 1544 C VAL A 110 6.280 4.170 -3.356 1.00 0.00 C ATOM 1545 O VAL A 110 5.074 4.290 -3.384 1.00 0.00 O ATOM 1546 CB VAL A 110 6.721 4.580 -0.933 1.00 0.00 C ATOM 1547 CG1 VAL A 110 5.455 5.326 -0.560 1.00 0.00 C ATOM 1548 CG2 VAL A 110 6.452 3.080 -0.816 1.00 0.00 C ATOM 0 H VAL A 110 6.138 6.798 -2.032 1.00 0.00 H new ATOM 0 HA VAL A 110 8.180 4.696 -2.487 1.00 0.00 H new ATOM 0 HB VAL A 110 7.536 4.856 -0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.167 5.067 0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 110 5.633 6.399 -0.625 1.00 0.00 H new ATOM 0 HG13 VAL A 110 4.654 5.049 -1.245 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.164 2.841 0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 110 5.645 2.801 -1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 110 7.354 2.527 -1.078 1.00 0.00 H new ATOM 1558 N THR A 111 6.906 3.411 -4.195 1.00 0.00 N ATOM 1559 CA THR A 111 6.140 2.669 -5.227 1.00 0.00 C ATOM 1560 C THR A 111 5.857 1.230 -4.791 1.00 0.00 C ATOM 1561 O THR A 111 6.729 0.517 -4.339 1.00 0.00 O ATOM 1562 CB THR A 111 6.944 2.648 -6.529 1.00 0.00 C ATOM 1563 OG1 THR A 111 7.696 3.849 -6.638 1.00 0.00 O ATOM 1564 CG2 THR A 111 5.991 2.531 -7.719 1.00 0.00 C ATOM 0 H THR A 111 7.916 3.269 -4.214 1.00 0.00 H new ATOM 0 HA THR A 111 5.186 3.175 -5.371 1.00 0.00 H new ATOM 0 HB THR A 111 7.621 1.793 -6.524 1.00 0.00 H new ATOM 0 HG1 THR A 111 8.213 3.837 -7.470 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.566 2.516 -8.645 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.415 1.610 -7.635 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.312 3.384 -7.727 1.00 0.00 H new ATOM 1572 N ILE A 112 4.643 0.798 -4.982 1.00 0.00 N ATOM 1573 CA ILE A 112 4.258 -0.592 -4.655 1.00 0.00 C ATOM 1574 C ILE A 112 3.861 -1.270 -5.957 1.00 0.00 C ATOM 1575 O ILE A 112 2.744 -1.153 -6.420 1.00 0.00 O ATOM 1576 CB ILE A 112 3.076 -0.623 -3.683 1.00 0.00 C ATOM 1577 CG1 ILE A 112 2.257 0.663 -3.821 1.00 0.00 C ATOM 1578 CG2 ILE A 112 3.577 -0.787 -2.247 1.00 0.00 C ATOM 1579 CD1 ILE A 112 2.916 1.765 -2.992 1.00 0.00 C ATOM 0 H ILE A 112 3.887 1.368 -5.361 1.00 0.00 H new ATOM 0 HA ILE A 112 5.093 -1.104 -4.177 1.00 0.00 H new ATOM 0 HB ILE A 112 2.438 -1.473 -3.924 1.00 0.00 H new ATOM 0 HG12 ILE A 112 2.200 0.962 -4.868 1.00 0.00 H new ATOM 0 HG13 ILE A 112 1.235 0.497 -3.481 1.00 0.00 H new ATOM 0 HG21 ILE A 112 2.727 -0.808 -1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 112 4.134 -1.720 -2.160 1.00 0.00 H new ATOM 0 HG23 ILE A 112 4.227 0.049 -1.991 1.00 0.00 H new ATOM 0 HD11 ILE A 112 2.339 2.685 -3.085 1.00 0.00 H new ATOM 0 HD12 ILE A 112 2.950 1.462 -1.946 1.00 0.00 H new ATOM 0 HD13 ILE A 112 3.930 1.935 -3.354 1.00 0.00 H new ATOM 1591 N VAL A 113 4.771 -1.969 -6.553 1.00 0.00 N ATOM 1592 CA VAL A 113 4.459 -2.650 -7.833 1.00 0.00 C ATOM 1593 C VAL A 113 3.934 -4.038 -7.511 1.00 0.00 C ATOM 1594 O VAL A 113 4.604 -4.832 -6.881 1.00 0.00 O ATOM 1595 CB VAL A 113 5.726 -2.760 -8.680 1.00 0.00 C ATOM 1596 CG1 VAL A 113 5.351 -2.864 -10.159 1.00 0.00 C ATOM 1597 CG2 VAL A 113 6.597 -1.520 -8.463 1.00 0.00 C ATOM 0 H VAL A 113 5.723 -2.101 -6.210 1.00 0.00 H new ATOM 0 HA VAL A 113 3.714 -2.084 -8.392 1.00 0.00 H new ATOM 0 HB VAL A 113 6.279 -3.651 -8.383 1.00 0.00 H new ATOM 0 HG11 VAL A 113 6.257 -2.942 -10.760 1.00 0.00 H new ATOM 0 HG12 VAL A 113 4.734 -3.749 -10.317 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.794 -1.975 -10.457 1.00 0.00 H new ATOM 0 HG21 VAL A 113 7.500 -1.600 -9.068 1.00 0.00 H new ATOM 0 HG22 VAL A 113 6.041 -0.629 -8.756 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.870 -1.447 -7.410 1.00 0.00 H new ATOM 1607 N ILE A 114 2.735 -4.335 -7.904 1.00 0.00 N ATOM 1608 CA ILE A 114 2.178 -5.666 -7.573 1.00 0.00 C ATOM 1609 C ILE A 114 1.620 -6.342 -8.820 1.00 0.00 C ATOM 1610 O ILE A 114 1.690 -5.830 -9.920 1.00 0.00 O ATOM 1611 CB ILE A 114 1.064 -5.493 -6.532 1.00 0.00 C ATOM 1612 CG1 ILE A 114 -0.276 -5.250 -7.242 1.00 0.00 C ATOM 1613 CG2 ILE A 114 1.389 -4.292 -5.635 1.00 0.00 C ATOM 1614 CD1 ILE A 114 -1.283 -4.667 -6.259 1.00 0.00 C ATOM 0 H ILE A 114 2.120 -3.719 -8.436 1.00 0.00 H new ATOM 0 HA ILE A 114 2.971 -6.296 -7.170 1.00 0.00 H new ATOM 0 HB ILE A 114 0.993 -6.396 -5.926 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -0.135 -4.568 -8.080 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -0.655 -6.186 -7.653 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.599 -4.167 -4.894 1.00 0.00 H new ATOM 0 HG22 ILE A 114 2.338 -4.463 -5.128 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.461 -3.391 -6.245 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -2.232 -4.497 -6.768 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.433 -5.365 -5.435 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.906 -3.722 -5.869 1.00 0.00 H new ATOM 1626 N ARG A 115 1.048 -7.489 -8.625 1.00 0.00 N ATOM 1627 CA ARG A 115 0.445 -8.239 -9.752 1.00 0.00 C ATOM 1628 C ARG A 115 -0.678 -9.103 -9.189 1.00 0.00 C ATOM 1629 O ARG A 115 -0.432 -10.091 -8.524 1.00 0.00 O ATOM 1630 CB ARG A 115 1.507 -9.130 -10.402 1.00 0.00 C ATOM 1631 CG ARG A 115 0.852 -10.021 -11.458 1.00 0.00 C ATOM 1632 CD ARG A 115 1.555 -9.817 -12.800 1.00 0.00 C ATOM 1633 NE ARG A 115 0.551 -9.854 -13.899 1.00 0.00 N ATOM 1634 CZ ARG A 115 0.667 -9.048 -14.918 1.00 0.00 C ATOM 1635 NH1 ARG A 115 1.818 -8.919 -15.520 1.00 0.00 N ATOM 1636 NH2 ARG A 115 -0.367 -8.371 -15.336 1.00 0.00 N ATOM 0 H ARG A 115 0.971 -7.947 -7.717 1.00 0.00 H new ATOM 0 HA ARG A 115 0.056 -7.553 -10.505 1.00 0.00 H new ATOM 0 HB2 ARG A 115 2.282 -8.515 -10.860 1.00 0.00 H new ATOM 0 HB3 ARG A 115 1.994 -9.744 -9.645 1.00 0.00 H new ATOM 0 HG2 ARG A 115 0.915 -11.067 -11.157 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -0.207 -9.778 -11.549 1.00 0.00 H new ATOM 0 HD2 ARG A 115 2.080 -8.862 -12.806 1.00 0.00 H new ATOM 0 HD3 ARG A 115 2.304 -10.594 -12.952 1.00 0.00 H new ATOM 0 HE ARG A 115 -0.228 -10.510 -13.855 1.00 0.00 H new ATOM 0 HH11 ARG A 115 2.626 -9.448 -15.194 1.00 0.00 H new ATOM 0 HH12 ARG A 115 1.909 -8.289 -16.317 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -1.267 -8.472 -14.866 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -0.276 -7.741 -16.133 1.00 0.00 H new ATOM 1650 N ARG A 116 -1.904 -8.749 -9.428 1.00 0.00 N ATOM 1651 CA ARG A 116 -3.012 -9.569 -8.876 1.00 0.00 C ATOM 1652 C ARG A 116 -3.342 -10.682 -9.871 1.00 0.00 C ATOM 1653 O ARG A 116 -4.425 -10.740 -10.421 1.00 0.00 O ATOM 1654 CB ARG A 116 -4.248 -8.691 -8.663 1.00 0.00 C ATOM 1655 CG ARG A 116 -5.383 -9.540 -8.084 1.00 0.00 C ATOM 1656 CD ARG A 116 -6.690 -9.216 -8.812 1.00 0.00 C ATOM 1657 NE ARG A 116 -7.709 -8.765 -7.824 1.00 0.00 N ATOM 1658 CZ ARG A 116 -8.711 -9.544 -7.516 1.00 0.00 C ATOM 1659 NH1 ARG A 116 -9.291 -10.258 -8.441 1.00 0.00 N ATOM 1660 NH2 ARG A 116 -9.130 -9.607 -6.282 1.00 0.00 N ATOM 0 H ARG A 116 -2.187 -7.936 -9.976 1.00 0.00 H new ATOM 0 HA ARG A 116 -2.712 -9.999 -7.920 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -4.012 -7.870 -7.986 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -4.558 -8.246 -9.608 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -5.149 -10.599 -8.190 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -5.491 -9.343 -7.017 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -6.521 -8.438 -9.557 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -7.049 -10.096 -9.346 1.00 0.00 H new ATOM 0 HE ARG A 116 -7.624 -7.847 -7.388 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -8.962 -10.208 -9.405 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -10.074 -10.866 -8.200 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -8.675 -9.048 -5.560 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -9.912 -10.215 -6.039 1.00 0.00 H new