USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 576 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 Set 1.1: A 84 ASN : amide:sc= 0.873 K(o=-0.63,f=-2.7) USER MOD Set 1.2: A 99 GLN :FLIP amide:sc= -1.5! F(o=-1.4,f=-0.63!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -27:sc= 0.584 USER MOD Single : A 68 SER OG : rot -160:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 148:sc= -0.733 (180deg=-2.25!) USER MOD Single : A 78 GLN : amide:sc= -0.979 K(o=-0.98,f=-5.1!) USER MOD Single : A 80 HIS : no HD1:sc= -0.0834 X(o=-0.083,f=-0.039) USER MOD Single : A 86 CYS SG : rot 99:sc= -2.28! USER MOD Single : A 93 HIS :FLIP no HD1:sc= -0.0129 F(o=-0.85,f=-0.013) USER MOD Single : A 95 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.34) USER MOD Single : A 100 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.116) USER MOD Single : A 101 THR OG1 : rot -120:sc= 0 USER MOD Single : A 103 THR OG1 : rot -177:sc= -0.857 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 108 THR OG1 : rot 107:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 427 N SER A 31 -10.049 7.742 -3.501 1.00 0.00 N ATOM 428 CA SER A 31 -11.328 7.338 -2.930 1.00 0.00 C ATOM 429 C SER A 31 -11.214 5.978 -2.249 1.00 0.00 C ATOM 430 O SER A 31 -10.240 5.252 -2.449 1.00 0.00 O ATOM 431 CB SER A 31 -12.403 7.289 -4.017 1.00 0.00 C ATOM 432 OG SER A 31 -13.651 7.743 -3.522 1.00 0.00 O ATOM 0 HA SER A 31 -11.613 8.077 -2.181 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.098 7.905 -4.863 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.504 6.269 -4.387 1.00 0.00 H new ATOM 0 HG SER A 31 -14.320 7.703 -4.237 1.00 0.00 H new ATOM 438 N ALA A 32 -12.216 5.639 -1.444 1.00 0.00 N ATOM 439 CA ALA A 32 -12.228 4.366 -0.734 1.00 0.00 C ATOM 440 C ALA A 32 -12.184 3.193 -1.707 1.00 0.00 C ATOM 441 O ALA A 32 -11.438 2.235 -1.505 1.00 0.00 O ATOM 442 CB ALA A 32 -13.459 4.270 0.154 1.00 0.00 C ATOM 0 H ALA A 32 -13.030 6.228 -1.267 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.336 4.319 -0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.456 3.314 0.679 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.448 5.083 0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.357 4.344 -0.460 1.00 0.00 H new ATOM 448 N ASP A 33 -12.987 3.276 -2.763 1.00 0.00 N ATOM 449 CA ASP A 33 -13.039 2.221 -3.769 1.00 0.00 C ATOM 450 C ASP A 33 -11.718 2.125 -4.524 1.00 0.00 C ATOM 451 O ASP A 33 -11.313 1.043 -4.952 1.00 0.00 O ATOM 452 CB ASP A 33 -14.183 2.479 -4.750 1.00 0.00 C ATOM 453 CG ASP A 33 -14.873 1.201 -5.183 1.00 0.00 C ATOM 454 OD1 ASP A 33 -15.365 0.464 -4.303 1.00 0.00 O ATOM 455 OD2 ASP A 33 -14.921 0.936 -6.403 1.00 0.00 O ATOM 0 H ASP A 33 -13.610 4.063 -2.944 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.215 1.274 -3.258 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.912 3.143 -4.287 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.795 2.995 -5.628 1.00 0.00 H new ATOM 460 N TYR A 34 -11.049 3.262 -4.686 1.00 0.00 N ATOM 461 CA TYR A 34 -9.774 3.307 -5.391 1.00 0.00 C ATOM 462 C TYR A 34 -8.735 2.434 -4.693 1.00 0.00 C ATOM 463 O TYR A 34 -8.118 1.569 -5.313 1.00 0.00 O ATOM 464 CB TYR A 34 -9.267 4.747 -5.483 1.00 0.00 C ATOM 465 CG TYR A 34 -8.083 4.917 -6.408 1.00 0.00 C ATOM 466 CD1 TYR A 34 -8.116 4.423 -7.706 1.00 0.00 C ATOM 467 CD2 TYR A 34 -6.933 5.571 -5.983 1.00 0.00 C ATOM 468 CE1 TYR A 34 -7.036 4.575 -8.555 1.00 0.00 C ATOM 469 CE2 TYR A 34 -5.850 5.727 -6.826 1.00 0.00 C ATOM 470 CZ TYR A 34 -5.906 5.228 -8.110 1.00 0.00 C ATOM 471 OH TYR A 34 -4.828 5.382 -8.952 1.00 0.00 O ATOM 0 H TYR A 34 -11.370 4.166 -4.338 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.931 2.920 -6.398 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.080 5.388 -5.826 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.990 5.090 -4.486 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -9.000 3.912 -8.057 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.885 5.963 -4.978 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.077 4.185 -9.561 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.963 6.238 -6.481 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.114 5.865 -8.485 1.00 0.00 H new ATOM 481 N LEU A 35 -8.547 2.669 -3.398 1.00 0.00 N ATOM 482 CA LEU A 35 -7.583 1.904 -2.614 1.00 0.00 C ATOM 483 C LEU A 35 -8.070 0.476 -2.393 1.00 0.00 C ATOM 484 O LEU A 35 -7.270 -0.453 -2.281 1.00 0.00 O ATOM 485 CB LEU A 35 -7.336 2.586 -1.267 1.00 0.00 C ATOM 486 CG LEU A 35 -7.106 4.095 -1.337 1.00 0.00 C ATOM 487 CD1 LEU A 35 -6.933 4.676 0.059 1.00 0.00 C ATOM 488 CD2 LEU A 35 -5.892 4.409 -2.199 1.00 0.00 C ATOM 0 H LEU A 35 -9.049 3.383 -2.870 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.647 1.866 -3.172 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.190 2.394 -0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.468 2.123 -0.797 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.982 4.555 -1.794 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.770 5.751 -0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.830 4.483 0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.074 4.210 0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.743 5.488 -2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.009 3.936 -1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.054 4.028 -3.208 1.00 0.00 H new ATOM 500 N ARG A 36 -9.388 0.307 -2.331 1.00 0.00 N ATOM 501 CA ARG A 36 -9.981 -1.008 -2.123 1.00 0.00 C ATOM 502 C ARG A 36 -9.740 -1.912 -3.327 1.00 0.00 C ATOM 503 O ARG A 36 -9.122 -2.970 -3.208 1.00 0.00 O ATOM 504 CB ARG A 36 -11.483 -0.878 -1.863 1.00 0.00 C ATOM 505 CG ARG A 36 -12.141 -2.177 -1.429 1.00 0.00 C ATOM 506 CD ARG A 36 -13.626 -2.187 -1.754 1.00 0.00 C ATOM 507 NE ARG A 36 -14.080 -3.503 -2.196 1.00 0.00 N ATOM 508 CZ ARG A 36 -15.256 -3.723 -2.781 1.00 0.00 C ATOM 509 NH1 ARG A 36 -16.098 -2.719 -2.994 1.00 0.00 N ATOM 510 NH2 ARG A 36 -15.592 -4.950 -3.153 1.00 0.00 N ATOM 0 H ARG A 36 -10.064 1.065 -2.422 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.505 -1.458 -1.252 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.646 -0.123 -1.093 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.970 -0.519 -2.770 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.654 -3.016 -1.925 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.001 -2.316 -0.357 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.192 -1.885 -0.873 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.832 -1.452 -2.532 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.460 -4.300 -2.048 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.846 -1.773 -2.709 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.997 -2.894 -3.443 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.950 -5.726 -2.991 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.493 -5.118 -3.601 1.00 0.00 H new ATOM 524 N GLU A 37 -10.232 -1.489 -4.487 1.00 0.00 N ATOM 525 CA GLU A 37 -10.070 -2.261 -5.713 1.00 0.00 C ATOM 526 C GLU A 37 -8.595 -2.438 -6.056 1.00 0.00 C ATOM 527 O GLU A 37 -8.198 -3.452 -6.629 1.00 0.00 O ATOM 528 CB GLU A 37 -10.796 -1.575 -6.872 1.00 0.00 C ATOM 529 CG GLU A 37 -12.305 -1.522 -6.699 1.00 0.00 C ATOM 530 CD GLU A 37 -13.049 -1.756 -7.999 1.00 0.00 C ATOM 531 OE1 GLU A 37 -12.646 -1.175 -9.028 1.00 0.00 O ATOM 532 OE2 GLU A 37 -14.035 -2.524 -7.989 1.00 0.00 O ATOM 0 H GLU A 37 -10.746 -0.616 -4.603 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.507 -3.247 -5.551 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.415 -0.559 -6.978 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.563 -2.101 -7.798 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.610 -2.273 -5.970 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.587 -0.550 -6.293 1.00 0.00 H new ATOM 539 N LYS A 38 -7.787 -1.444 -5.702 1.00 0.00 N ATOM 540 CA LYS A 38 -6.355 -1.490 -5.973 1.00 0.00 C ATOM 541 C LYS A 38 -5.678 -2.577 -5.145 1.00 0.00 C ATOM 542 O LYS A 38 -5.014 -3.460 -5.687 1.00 0.00 O ATOM 543 CB LYS A 38 -5.714 -0.133 -5.675 1.00 0.00 C ATOM 544 CG LYS A 38 -4.226 -0.083 -5.976 1.00 0.00 C ATOM 545 CD LYS A 38 -3.785 1.315 -6.380 1.00 0.00 C ATOM 546 CE LYS A 38 -2.338 1.330 -6.846 1.00 0.00 C ATOM 547 NZ LYS A 38 -2.209 0.918 -8.270 1.00 0.00 N ATOM 0 H LYS A 38 -8.099 -0.597 -5.227 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.219 -1.725 -7.029 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.220 0.635 -6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.872 0.111 -4.624 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.665 -0.403 -5.098 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.992 -0.785 -6.776 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.429 1.684 -7.178 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.903 1.993 -5.535 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.926 2.331 -6.719 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.748 0.661 -6.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.207 0.941 -8.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.578 -0.047 -8.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.751 1.571 -8.871 1.00 0.00 H new ATOM 561 N LEU A 39 -5.850 -2.507 -3.829 1.00 0.00 N ATOM 562 CA LEU A 39 -5.256 -3.485 -2.926 1.00 0.00 C ATOM 563 C LEU A 39 -5.833 -4.875 -3.173 1.00 0.00 C ATOM 564 O LEU A 39 -5.102 -5.865 -3.211 1.00 0.00 O ATOM 565 CB LEU A 39 -5.487 -3.075 -1.471 1.00 0.00 C ATOM 566 CG LEU A 39 -4.915 -1.710 -1.085 1.00 0.00 C ATOM 567 CD1 LEU A 39 -5.646 -1.150 0.126 1.00 0.00 C ATOM 568 CD2 LEU A 39 -3.424 -1.816 -0.807 1.00 0.00 C ATOM 0 H LEU A 39 -6.397 -1.782 -3.364 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.184 -3.517 -3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.559 -3.071 -1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.048 -3.833 -0.822 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.060 -1.026 -1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.226 -0.178 0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.705 -1.037 -0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.532 -1.833 0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.034 -0.835 -0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.255 -2.515 0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.912 -2.174 -1.700 1.00 0.00 H new ATOM 580 N ARG A 40 -7.150 -4.942 -3.338 1.00 0.00 N ATOM 581 CA ARG A 40 -7.828 -6.211 -3.581 1.00 0.00 C ATOM 582 C ARG A 40 -7.297 -6.885 -4.833 1.00 0.00 C ATOM 583 O ARG A 40 -6.975 -8.072 -4.821 1.00 0.00 O ATOM 584 CB ARG A 40 -9.337 -5.994 -3.703 1.00 0.00 C ATOM 585 CG ARG A 40 -10.148 -7.271 -3.565 1.00 0.00 C ATOM 586 CD ARG A 40 -11.547 -7.108 -4.136 1.00 0.00 C ATOM 587 NE ARG A 40 -12.348 -8.320 -3.979 1.00 0.00 N ATOM 588 CZ ARG A 40 -13.454 -8.573 -4.675 1.00 0.00 C ATOM 589 NH1 ARG A 40 -13.893 -7.703 -5.576 1.00 0.00 N ATOM 590 NH2 ARG A 40 -14.122 -9.701 -4.470 1.00 0.00 N ATOM 0 H ARG A 40 -7.770 -4.132 -3.308 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.630 -6.864 -2.731 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.657 -5.286 -2.938 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.553 -5.539 -4.669 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.637 -8.085 -4.079 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.214 -7.550 -2.513 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.047 -6.277 -3.639 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.479 -6.853 -5.194 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.042 -9.013 -3.296 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.382 -6.835 -5.738 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.741 -7.902 -6.106 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.788 -10.373 -3.780 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.970 -9.896 -5.003 1.00 0.00 H new ATOM 604 N GLN A 41 -7.209 -6.125 -5.910 1.00 0.00 N ATOM 605 CA GLN A 41 -6.717 -6.662 -7.166 1.00 0.00 C ATOM 606 C GLN A 41 -5.202 -6.838 -7.132 1.00 0.00 C ATOM 607 O GLN A 41 -4.678 -7.874 -7.539 1.00 0.00 O ATOM 608 CB GLN A 41 -7.118 -5.757 -8.331 1.00 0.00 C ATOM 609 CG GLN A 41 -8.622 -5.621 -8.508 1.00 0.00 C ATOM 610 CD GLN A 41 -9.105 -6.165 -9.839 1.00 0.00 C ATOM 611 OE1 GLN A 41 -9.583 -7.296 -9.925 1.00 0.00 O ATOM 612 NE2 GLN A 41 -8.981 -5.358 -10.887 1.00 0.00 N ATOM 0 H GLN A 41 -7.470 -5.139 -5.941 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.171 -7.642 -7.311 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.688 -4.767 -8.176 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.687 -6.151 -9.251 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.128 -6.148 -7.699 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.900 -4.570 -8.427 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.579 -4.428 -10.770 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.288 -5.668 -11.809 1.00 0.00 H new ATOM 621 N ASP A 42 -4.504 -5.819 -6.643 1.00 0.00 N ATOM 622 CA ASP A 42 -3.048 -5.862 -6.555 1.00 0.00 C ATOM 623 C ASP A 42 -2.588 -7.025 -5.683 1.00 0.00 C ATOM 624 O ASP A 42 -1.867 -7.911 -6.142 1.00 0.00 O ATOM 625 CB ASP A 42 -2.510 -4.545 -5.994 1.00 0.00 C ATOM 626 CG ASP A 42 -1.000 -4.452 -6.083 1.00 0.00 C ATOM 627 OD1 ASP A 42 -0.484 -4.201 -7.192 1.00 0.00 O ATOM 628 OD2 ASP A 42 -0.332 -4.630 -5.042 1.00 0.00 O ATOM 0 H ASP A 42 -4.922 -4.953 -6.302 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.654 -6.008 -7.561 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.955 -3.713 -6.539 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.817 -4.445 -4.953 1.00 0.00 H new ATOM 633 N LEU A 43 -3.012 -7.016 -4.423 1.00 0.00 N ATOM 634 CA LEU A 43 -2.644 -8.071 -3.486 1.00 0.00 C ATOM 635 C LEU A 43 -3.379 -9.370 -3.805 1.00 0.00 C ATOM 636 O LEU A 43 -2.917 -10.456 -3.456 1.00 0.00 O ATOM 637 CB LEU A 43 -2.952 -7.637 -2.052 1.00 0.00 C ATOM 638 CG LEU A 43 -2.146 -6.438 -1.549 1.00 0.00 C ATOM 639 CD1 LEU A 43 -2.803 -5.830 -0.321 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.715 -6.851 -1.243 1.00 0.00 C ATOM 0 H LEU A 43 -3.610 -6.290 -4.028 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.573 -8.250 -3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.013 -7.397 -1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.771 -8.481 -1.387 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.125 -5.682 -2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.215 -4.979 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.810 -5.498 -0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.856 -6.577 0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.155 -5.986 -0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.716 -7.625 -0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.247 -7.238 -2.148 1.00 0.00 H new ATOM 652 N GLU A 44 -4.525 -9.252 -4.470 1.00 0.00 N ATOM 653 CA GLU A 44 -5.323 -10.419 -4.834 1.00 0.00 C ATOM 654 C GLU A 44 -5.840 -11.131 -3.588 1.00 0.00 C ATOM 655 O GLU A 44 -5.317 -12.173 -3.193 1.00 0.00 O ATOM 656 CB GLU A 44 -4.496 -11.386 -5.684 1.00 0.00 C ATOM 657 CG GLU A 44 -3.872 -10.739 -6.909 1.00 0.00 C ATOM 658 CD GLU A 44 -3.182 -11.743 -7.812 1.00 0.00 C ATOM 659 OE1 GLU A 44 -3.860 -12.679 -8.286 1.00 0.00 O ATOM 660 OE2 GLU A 44 -1.964 -11.593 -8.044 1.00 0.00 O ATOM 0 H GLU A 44 -4.922 -8.361 -4.768 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.178 -10.077 -5.418 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.706 -11.814 -5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.133 -12.211 -6.004 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.645 -10.219 -7.474 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.150 -9.987 -6.590 1.00 0.00 H new ATOM 667 N ALA A 45 -6.871 -10.561 -2.973 1.00 0.00 N ATOM 668 CA ALA A 45 -7.460 -11.139 -1.772 1.00 0.00 C ATOM 669 C ALA A 45 -8.839 -11.722 -2.061 1.00 0.00 C ATOM 670 O ALA A 45 -9.361 -11.587 -3.168 1.00 0.00 O ATOM 671 CB ALA A 45 -7.548 -10.091 -0.673 1.00 0.00 C ATOM 0 H ALA A 45 -7.316 -9.699 -3.287 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.816 -11.951 -1.436 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.990 -10.535 0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.549 -9.724 -0.439 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.169 -9.261 -1.010 1.00 0.00 H new ATOM 677 N GLU A 46 -9.425 -12.369 -1.059 1.00 0.00 N ATOM 678 CA GLU A 46 -10.744 -12.972 -1.206 1.00 0.00 C ATOM 679 C GLU A 46 -11.841 -11.970 -0.859 1.00 0.00 C ATOM 680 O GLU A 46 -12.711 -11.678 -1.680 1.00 0.00 O ATOM 681 CB GLU A 46 -10.865 -14.208 -0.313 1.00 0.00 C ATOM 682 CG GLU A 46 -12.037 -15.106 -0.673 1.00 0.00 C ATOM 683 CD GLU A 46 -11.697 -16.580 -0.561 1.00 0.00 C ATOM 684 OE1 GLU A 46 -10.662 -16.996 -1.124 1.00 0.00 O ATOM 685 OE2 GLU A 46 -12.466 -17.318 0.089 1.00 0.00 O ATOM 0 H GLU A 46 -9.007 -12.489 -0.136 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.866 -13.271 -2.247 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.943 -14.785 -0.378 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.968 -13.888 0.724 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.878 -14.880 -0.018 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.358 -14.887 -1.691 1.00 0.00 H new ATOM 692 N HIS A 47 -11.792 -11.446 0.361 1.00 0.00 N ATOM 693 CA HIS A 47 -12.781 -10.475 0.817 1.00 0.00 C ATOM 694 C HIS A 47 -12.103 -9.266 1.452 1.00 0.00 C ATOM 695 O HIS A 47 -11.226 -9.411 2.304 1.00 0.00 O ATOM 696 CB HIS A 47 -13.738 -11.124 1.818 1.00 0.00 C ATOM 697 CG HIS A 47 -15.152 -10.649 1.687 1.00 0.00 C ATOM 698 ND1 HIS A 47 -16.078 -11.258 0.867 1.00 0.00 N ATOM 699 CD2 HIS A 47 -15.798 -9.616 2.279 1.00 0.00 C ATOM 700 CE1 HIS A 47 -17.232 -10.621 0.959 1.00 0.00 C ATOM 701 NE2 HIS A 47 -17.089 -9.621 1.810 1.00 0.00 N ATOM 0 H HIS A 47 -11.078 -11.677 1.052 1.00 0.00 H new ATOM 0 HA HIS A 47 -13.349 -10.136 -0.050 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.713 -12.205 1.684 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -13.387 -10.920 2.829 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -15.377 -8.918 2.988 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -18.138 -10.875 0.429 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -17.819 -8.960 2.076 1.00 0.00 H new ATOM 710 N VAL A 48 -12.513 -8.075 1.032 1.00 0.00 N ATOM 711 CA VAL A 48 -11.945 -6.841 1.560 1.00 0.00 C ATOM 712 C VAL A 48 -13.037 -5.839 1.915 1.00 0.00 C ATOM 713 O VAL A 48 -14.176 -5.961 1.465 1.00 0.00 O ATOM 714 CB VAL A 48 -10.978 -6.192 0.553 1.00 0.00 C ATOM 715 CG1 VAL A 48 -9.764 -7.080 0.328 1.00 0.00 C ATOM 716 CG2 VAL A 48 -11.689 -5.905 -0.761 1.00 0.00 C ATOM 0 H VAL A 48 -13.237 -7.938 0.327 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.394 -7.109 2.462 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.633 -5.245 0.968 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.093 -6.604 -0.387 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.242 -7.229 1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.086 -8.045 -0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.990 -5.446 -1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.065 -6.837 -1.182 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.522 -5.225 -0.583 1.00 0.00 H new ATOM 726 N GLU A 49 -12.682 -4.847 2.726 1.00 0.00 N ATOM 727 CA GLU A 49 -13.632 -3.822 3.142 1.00 0.00 C ATOM 728 C GLU A 49 -12.925 -2.491 3.377 1.00 0.00 C ATOM 729 O GLU A 49 -12.033 -2.391 4.219 1.00 0.00 O ATOM 730 CB GLU A 49 -14.360 -4.258 4.414 1.00 0.00 C ATOM 731 CG GLU A 49 -15.736 -3.631 4.574 1.00 0.00 C ATOM 732 CD GLU A 49 -16.813 -4.390 3.825 1.00 0.00 C ATOM 733 OE1 GLU A 49 -16.597 -4.713 2.637 1.00 0.00 O ATOM 734 OE2 GLU A 49 -17.874 -4.662 4.425 1.00 0.00 O ATOM 0 H GLU A 49 -11.743 -4.732 3.108 1.00 0.00 H new ATOM 0 HA GLU A 49 -14.361 -3.690 2.342 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.463 -5.343 4.410 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.749 -3.999 5.279 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.993 -3.593 5.633 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.706 -2.602 4.216 1.00 0.00 H new ATOM 741 N VAL A 50 -13.330 -1.472 2.626 1.00 0.00 N ATOM 742 CA VAL A 50 -12.735 -0.146 2.753 1.00 0.00 C ATOM 743 C VAL A 50 -13.692 0.823 3.439 1.00 0.00 C ATOM 744 O VAL A 50 -14.908 0.630 3.418 1.00 0.00 O ATOM 745 CB VAL A 50 -12.335 0.422 1.377 1.00 0.00 C ATOM 746 CG1 VAL A 50 -13.556 0.577 0.483 1.00 0.00 C ATOM 747 CG2 VAL A 50 -11.609 1.750 1.536 1.00 0.00 C ATOM 0 H VAL A 50 -14.067 -1.539 1.924 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.839 -0.256 3.365 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.654 -0.283 0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.251 0.979 -0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.027 -0.395 0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.266 1.258 0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.335 2.135 0.554 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.263 2.465 2.036 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.708 1.603 2.132 1.00 0.00 H new ATOM 757 N GLU A 51 -13.136 1.866 4.046 1.00 0.00 N ATOM 758 CA GLU A 51 -13.940 2.866 4.739 1.00 0.00 C ATOM 759 C GLU A 51 -13.349 4.259 4.556 1.00 0.00 C ATOM 760 O GLU A 51 -12.172 4.408 4.227 1.00 0.00 O ATOM 761 CB GLU A 51 -14.039 2.531 6.227 1.00 0.00 C ATOM 762 CG GLU A 51 -15.043 3.389 6.979 1.00 0.00 C ATOM 763 CD GLU A 51 -16.456 3.230 6.452 1.00 0.00 C ATOM 764 OE1 GLU A 51 -16.827 3.967 5.516 1.00 0.00 O ATOM 765 OE2 GLU A 51 -17.191 2.367 6.977 1.00 0.00 O ATOM 0 H GLU A 51 -12.131 2.041 4.072 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.940 2.856 4.306 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.316 1.482 6.337 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.057 2.651 6.684 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.022 3.125 8.036 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.748 4.436 6.906 1.00 0.00 H new ATOM 772 N ASP A 52 -14.176 5.276 4.771 1.00 0.00 N ATOM 773 CA ASP A 52 -13.739 6.658 4.627 1.00 0.00 C ATOM 774 C ASP A 52 -14.518 7.573 5.569 1.00 0.00 C ATOM 775 O ASP A 52 -15.729 7.427 5.732 1.00 0.00 O ATOM 776 CB ASP A 52 -13.918 7.116 3.178 1.00 0.00 C ATOM 777 CG ASP A 52 -13.559 8.577 2.977 1.00 0.00 C ATOM 778 OD1 ASP A 52 -12.741 9.100 3.763 1.00 0.00 O ATOM 779 OD2 ASP A 52 -14.095 9.196 2.035 1.00 0.00 O ATOM 0 H ASP A 52 -15.152 5.169 5.046 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.683 6.715 4.890 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.297 6.501 2.527 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.953 6.955 2.876 1.00 0.00 H new ATOM 904 N SER A 61 -9.290 10.131 7.056 1.00 0.00 N ATOM 905 CA SER A 61 -8.807 8.838 7.528 1.00 0.00 C ATOM 906 C SER A 61 -9.423 7.701 6.719 1.00 0.00 C ATOM 907 O SER A 61 -10.644 7.610 6.588 1.00 0.00 O ATOM 908 CB SER A 61 -9.131 8.658 9.012 1.00 0.00 C ATOM 909 OG SER A 61 -10.283 9.399 9.375 1.00 0.00 O ATOM 0 HA SER A 61 -7.725 8.811 7.395 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.291 7.602 9.227 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.282 8.981 9.615 1.00 0.00 H new ATOM 0 HG SER A 61 -10.376 10.172 8.780 1.00 0.00 H new ATOM 915 N PHE A 62 -8.571 6.836 6.178 1.00 0.00 N ATOM 916 CA PHE A 62 -9.033 5.705 5.381 1.00 0.00 C ATOM 917 C PHE A 62 -8.707 4.383 6.070 1.00 0.00 C ATOM 918 O PHE A 62 -7.668 4.248 6.716 1.00 0.00 O ATOM 919 CB PHE A 62 -8.395 5.740 3.992 1.00 0.00 C ATOM 920 CG PHE A 62 -9.035 6.732 3.061 1.00 0.00 C ATOM 921 CD1 PHE A 62 -10.302 6.503 2.549 1.00 0.00 C ATOM 922 CD2 PHE A 62 -8.368 7.891 2.700 1.00 0.00 C ATOM 923 CE1 PHE A 62 -10.892 7.413 1.694 1.00 0.00 C ATOM 924 CE2 PHE A 62 -8.954 8.805 1.845 1.00 0.00 C ATOM 925 CZ PHE A 62 -10.218 8.566 1.341 1.00 0.00 C ATOM 0 H PHE A 62 -7.558 6.896 6.277 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.115 5.783 5.279 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.337 5.980 4.093 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -8.456 4.746 3.548 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -10.834 5.603 2.821 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.380 8.082 3.091 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -11.880 7.223 1.301 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.424 9.705 1.571 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.678 9.279 0.673 1.00 0.00 H new ATOM 935 N ARG A 63 -9.602 3.411 5.925 1.00 0.00 N ATOM 936 CA ARG A 63 -9.410 2.100 6.532 1.00 0.00 C ATOM 937 C ARG A 63 -9.700 0.990 5.526 1.00 0.00 C ATOM 938 O ARG A 63 -10.801 0.905 4.980 1.00 0.00 O ATOM 939 CB ARG A 63 -10.313 1.946 7.760 1.00 0.00 C ATOM 940 CG ARG A 63 -9.558 1.580 9.027 1.00 0.00 C ATOM 941 CD ARG A 63 -10.502 1.401 10.206 1.00 0.00 C ATOM 942 NE ARG A 63 -9.944 1.945 11.441 1.00 0.00 N ATOM 943 CZ ARG A 63 -10.671 2.240 12.517 1.00 0.00 C ATOM 944 NH1 ARG A 63 -11.983 2.043 12.513 1.00 0.00 N ATOM 945 NH2 ARG A 63 -10.083 2.731 13.600 1.00 0.00 N ATOM 0 H ARG A 63 -10.467 3.507 5.393 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.369 2.018 6.845 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.851 2.879 7.924 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -11.060 1.179 7.558 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.998 0.659 8.865 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.831 2.359 9.257 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.450 1.893 9.989 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.716 0.341 10.341 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.938 2.109 11.482 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -12.439 1.664 11.683 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.535 2.271 13.340 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.074 2.882 13.608 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.640 2.957 14.424 1.00 0.00 H new ATOM 959 N VAL A 64 -8.705 0.142 5.283 1.00 0.00 N ATOM 960 CA VAL A 64 -8.854 -0.960 4.340 1.00 0.00 C ATOM 961 C VAL A 64 -8.654 -2.306 5.029 1.00 0.00 C ATOM 962 O VAL A 64 -7.772 -2.458 5.874 1.00 0.00 O ATOM 963 CB VAL A 64 -7.855 -0.841 3.174 1.00 0.00 C ATOM 964 CG1 VAL A 64 -8.152 0.395 2.340 1.00 0.00 C ATOM 965 CG2 VAL A 64 -6.426 -0.809 3.697 1.00 0.00 C ATOM 0 H VAL A 64 -7.788 0.197 5.726 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.869 -0.903 3.947 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.965 -1.717 2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.436 0.462 1.521 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.161 0.326 1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.072 1.284 2.966 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.734 -0.725 2.859 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.300 0.047 4.359 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.219 -1.727 4.247 1.00 0.00 H new ATOM 975 N LEU A 65 -9.479 -3.281 4.659 1.00 0.00 N ATOM 976 CA LEU A 65 -9.395 -4.616 5.238 1.00 0.00 C ATOM 977 C LEU A 65 -9.131 -5.660 4.158 1.00 0.00 C ATOM 978 O LEU A 65 -9.740 -5.628 3.089 1.00 0.00 O ATOM 979 CB LEU A 65 -10.686 -4.954 5.985 1.00 0.00 C ATOM 980 CG LEU A 65 -10.526 -5.938 7.145 1.00 0.00 C ATOM 981 CD1 LEU A 65 -10.019 -7.280 6.640 1.00 0.00 C ATOM 982 CD2 LEU A 65 -9.583 -5.371 8.197 1.00 0.00 C ATOM 0 H LEU A 65 -10.214 -3.170 3.960 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.563 -4.628 5.942 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.117 -4.030 6.370 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.401 -5.368 5.274 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.502 -6.092 7.605 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.911 -7.967 7.479 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.730 -7.691 5.923 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.052 -7.145 6.155 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.480 -6.084 9.015 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.606 -5.189 7.750 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.987 -4.434 8.580 1.00 0.00 H new ATOM 994 N VAL A 66 -8.218 -6.583 4.442 1.00 0.00 N ATOM 995 CA VAL A 66 -7.875 -7.634 3.492 1.00 0.00 C ATOM 996 C VAL A 66 -7.821 -8.997 4.173 1.00 0.00 C ATOM 997 O VAL A 66 -7.287 -9.133 5.274 1.00 0.00 O ATOM 998 CB VAL A 66 -6.520 -7.359 2.814 1.00 0.00 C ATOM 999 CG1 VAL A 66 -6.288 -8.333 1.669 1.00 0.00 C ATOM 1000 CG2 VAL A 66 -6.450 -5.921 2.321 1.00 0.00 C ATOM 0 H VAL A 66 -7.703 -6.624 5.321 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.658 -7.640 2.734 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.731 -7.505 3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.326 -8.123 1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.290 -9.353 2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.082 -8.222 0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.485 -5.746 1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.248 -5.744 1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.567 -5.241 3.165 1.00 0.00 H new ATOM 1010 N VAL A 67 -8.376 -10.005 3.509 1.00 0.00 N ATOM 1011 CA VAL A 67 -8.391 -11.360 4.046 1.00 0.00 C ATOM 1012 C VAL A 67 -8.172 -12.390 2.943 1.00 0.00 C ATOM 1013 O VAL A 67 -8.951 -12.470 1.993 1.00 0.00 O ATOM 1014 CB VAL A 67 -9.722 -11.666 4.761 1.00 0.00 C ATOM 1015 CG1 VAL A 67 -9.656 -13.014 5.462 1.00 0.00 C ATOM 1016 CG2 VAL A 67 -10.064 -10.561 5.748 1.00 0.00 C ATOM 0 H VAL A 67 -8.822 -9.909 2.597 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.576 -11.424 4.767 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.512 -11.711 4.012 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.605 -13.212 5.961 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.462 -13.796 4.728 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.854 -13.001 6.200 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.007 -10.794 6.243 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.273 -10.481 6.493 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.158 -9.614 5.216 1.00 0.00 H new ATOM 1026 N SER A 68 -7.107 -13.174 3.074 1.00 0.00 N ATOM 1027 CA SER A 68 -6.788 -14.198 2.086 1.00 0.00 C ATOM 1028 C SER A 68 -5.560 -14.999 2.507 1.00 0.00 C ATOM 1029 O SER A 68 -4.947 -14.721 3.537 1.00 0.00 O ATOM 1030 CB SER A 68 -6.548 -13.558 0.717 1.00 0.00 C ATOM 1031 OG SER A 68 -7.053 -14.376 -0.325 1.00 0.00 O ATOM 0 H SER A 68 -6.451 -13.120 3.853 1.00 0.00 H new ATOM 0 HA SER A 68 -7.637 -14.878 2.019 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.028 -12.580 0.680 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.480 -13.395 0.571 1.00 0.00 H new ATOM 0 HG SER A 68 -6.626 -14.128 -1.172 1.00 0.00 H new ATOM 1037 N ALA A 69 -5.206 -15.995 1.700 1.00 0.00 N ATOM 1038 CA ALA A 69 -4.051 -16.838 1.987 1.00 0.00 C ATOM 1039 C ALA A 69 -2.786 -16.294 1.326 1.00 0.00 C ATOM 1040 O ALA A 69 -1.673 -16.657 1.707 1.00 0.00 O ATOM 1041 CB ALA A 69 -4.316 -18.264 1.527 1.00 0.00 C ATOM 0 H ALA A 69 -5.702 -16.238 0.843 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.891 -16.835 3.065 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.447 -18.884 1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.186 -18.660 2.051 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.505 -18.271 0.454 1.00 0.00 H new ATOM 1047 N LYS A 70 -2.962 -15.423 0.335 1.00 0.00 N ATOM 1048 CA LYS A 70 -1.830 -14.833 -0.373 1.00 0.00 C ATOM 1049 C LYS A 70 -0.861 -14.169 0.599 1.00 0.00 C ATOM 1050 O LYS A 70 0.348 -14.146 0.368 1.00 0.00 O ATOM 1051 CB LYS A 70 -2.322 -13.810 -1.399 1.00 0.00 C ATOM 1052 CG LYS A 70 -1.418 -13.684 -2.615 1.00 0.00 C ATOM 1053 CD LYS A 70 -0.584 -12.415 -2.562 1.00 0.00 C ATOM 1054 CE LYS A 70 -0.463 -11.769 -3.933 1.00 0.00 C ATOM 1055 NZ LYS A 70 0.645 -12.365 -4.730 1.00 0.00 N ATOM 0 H LYS A 70 -3.875 -15.111 0.005 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.302 -15.634 -0.890 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.323 -14.090 -1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.406 -12.836 -0.917 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.760 -14.551 -2.671 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.024 -13.685 -3.521 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.037 -11.710 -1.865 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.410 -12.647 -2.179 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.402 -11.885 -4.473 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.292 -10.699 -3.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.695 -11.898 -5.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.545 -12.232 -4.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.469 -13.381 -4.863 1.00 0.00 H new ATOM 1069 N PHE A 71 -1.400 -13.631 1.689 1.00 0.00 N ATOM 1070 CA PHE A 71 -0.583 -12.968 2.698 1.00 0.00 C ATOM 1071 C PHE A 71 0.174 -13.987 3.543 1.00 0.00 C ATOM 1072 O PHE A 71 1.274 -13.715 4.023 1.00 0.00 O ATOM 1073 CB PHE A 71 -1.457 -12.091 3.597 1.00 0.00 C ATOM 1074 CG PHE A 71 -1.609 -10.682 3.098 1.00 0.00 C ATOM 1075 CD1 PHE A 71 -0.508 -9.968 2.654 1.00 0.00 C ATOM 1076 CD2 PHE A 71 -2.853 -10.073 3.073 1.00 0.00 C ATOM 1077 CE1 PHE A 71 -0.644 -8.671 2.195 1.00 0.00 C ATOM 1078 CE2 PHE A 71 -2.996 -8.777 2.614 1.00 0.00 C ATOM 1079 CZ PHE A 71 -1.890 -8.076 2.174 1.00 0.00 C ATOM 0 H PHE A 71 -2.399 -13.642 1.895 1.00 0.00 H new ATOM 0 HA PHE A 71 0.144 -12.339 2.184 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.444 -12.545 3.685 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.026 -12.069 4.598 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.468 -10.430 2.667 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.721 -10.617 3.416 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.223 -8.124 1.854 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.971 -8.313 2.599 1.00 0.00 H new ATOM 0 HZ PHE A 71 -2.000 -7.064 1.814 1.00 0.00 H new ATOM 1089 N GLU A 72 -0.423 -15.162 3.720 1.00 0.00 N ATOM 1090 CA GLU A 72 0.195 -16.222 4.507 1.00 0.00 C ATOM 1091 C GLU A 72 1.538 -16.631 3.911 1.00 0.00 C ATOM 1092 O GLU A 72 2.457 -17.019 4.632 1.00 0.00 O ATOM 1093 CB GLU A 72 -0.737 -17.434 4.583 1.00 0.00 C ATOM 1094 CG GLU A 72 -1.427 -17.585 5.929 1.00 0.00 C ATOM 1095 CD GLU A 72 -0.544 -18.255 6.965 1.00 0.00 C ATOM 1096 OE1 GLU A 72 0.163 -19.221 6.607 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -0.561 -17.814 8.132 1.00 0.00 O ATOM 0 H GLU A 72 -1.334 -15.403 3.329 1.00 0.00 H new ATOM 0 HA GLU A 72 0.369 -15.842 5.514 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.494 -17.350 3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.163 -18.337 4.374 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.725 -16.602 6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.339 -18.168 5.802 1.00 0.00 H new ATOM 1104 N GLY A 73 1.646 -16.539 2.590 1.00 0.00 N ATOM 1105 CA GLY A 73 2.881 -16.902 1.919 1.00 0.00 C ATOM 1106 C GLY A 73 4.059 -16.070 2.386 1.00 0.00 C ATOM 1107 O GLY A 73 5.140 -16.601 2.640 1.00 0.00 O ATOM 0 H GLY A 73 0.900 -16.220 1.972 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.091 -17.957 2.097 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.756 -16.779 0.843 1.00 0.00 H new ATOM 1111 N LYS A 74 3.849 -14.762 2.499 1.00 0.00 N ATOM 1112 CA LYS A 74 4.902 -13.855 2.939 1.00 0.00 C ATOM 1113 C LYS A 74 4.864 -13.671 4.455 1.00 0.00 C ATOM 1114 O LYS A 74 3.845 -13.934 5.094 1.00 0.00 O ATOM 1115 CB LYS A 74 4.756 -12.498 2.246 1.00 0.00 C ATOM 1116 CG LYS A 74 5.377 -12.454 0.859 1.00 0.00 C ATOM 1117 CD LYS A 74 5.200 -11.090 0.214 1.00 0.00 C ATOM 1118 CE LYS A 74 5.924 -11.007 -1.120 1.00 0.00 C ATOM 1119 NZ LYS A 74 5.745 -9.678 -1.769 1.00 0.00 N ATOM 0 H LYS A 74 2.960 -14.307 2.292 1.00 0.00 H new ATOM 0 HA LYS A 74 5.862 -14.294 2.668 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.697 -12.251 2.169 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.218 -11.731 2.867 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.439 -12.691 0.927 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.920 -13.218 0.230 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.139 -10.891 0.066 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.579 -10.318 0.884 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.987 -11.197 -0.968 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.552 -11.788 -1.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.596 -9.443 -2.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.921 -9.709 -2.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.594 -8.953 -1.039 1.00 0.00 H new ATOM 1133 N PRO A 75 5.979 -13.215 5.051 1.00 0.00 N ATOM 1134 CA PRO A 75 6.067 -12.997 6.499 1.00 0.00 C ATOM 1135 C PRO A 75 5.157 -11.867 6.969 1.00 0.00 C ATOM 1136 O PRO A 75 4.627 -11.106 6.159 1.00 0.00 O ATOM 1137 CB PRO A 75 7.537 -12.628 6.719 1.00 0.00 C ATOM 1138 CG PRO A 75 8.002 -12.108 5.403 1.00 0.00 C ATOM 1139 CD PRO A 75 7.238 -12.876 4.363 1.00 0.00 C ATOM 0 HA PRO A 75 5.748 -13.874 7.062 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.643 -11.876 7.501 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.120 -13.495 7.030 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.812 -11.038 5.317 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.076 -12.251 5.284 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.060 -12.277 3.470 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.776 -13.769 4.046 1.00 0.00 H new ATOM 1147 N LEU A 76 4.981 -11.763 8.282 1.00 0.00 N ATOM 1148 CA LEU A 76 4.135 -10.726 8.862 1.00 0.00 C ATOM 1149 C LEU A 76 4.637 -9.336 8.480 1.00 0.00 C ATOM 1150 O LEU A 76 3.856 -8.470 8.087 1.00 0.00 O ATOM 1151 CB LEU A 76 4.092 -10.865 10.384 1.00 0.00 C ATOM 1152 CG LEU A 76 3.064 -9.976 11.086 1.00 0.00 C ATOM 1153 CD1 LEU A 76 1.719 -10.680 11.172 1.00 0.00 C ATOM 1154 CD2 LEU A 76 3.556 -9.589 12.474 1.00 0.00 C ATOM 0 H LEU A 76 5.413 -12.385 8.965 1.00 0.00 H new ATOM 0 HA LEU A 76 3.128 -10.850 8.465 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.881 -11.905 10.633 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.080 -10.636 10.783 1.00 0.00 H new ATOM 0 HG LEU A 76 2.937 -9.066 10.499 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.001 -10.032 11.674 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.362 -10.907 10.167 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.829 -11.606 11.736 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.813 -8.957 12.960 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.712 -10.489 13.069 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.496 -9.044 12.388 1.00 0.00 H new ATOM 1166 N LEU A 77 5.945 -9.133 8.600 1.00 0.00 N ATOM 1167 CA LEU A 77 6.551 -7.848 8.268 1.00 0.00 C ATOM 1168 C LEU A 77 6.303 -7.489 6.807 1.00 0.00 C ATOM 1169 O LEU A 77 6.199 -6.314 6.454 1.00 0.00 O ATOM 1170 CB LEU A 77 8.055 -7.883 8.548 1.00 0.00 C ATOM 1171 CG LEU A 77 8.814 -9.023 7.868 1.00 0.00 C ATOM 1172 CD1 LEU A 77 9.367 -8.569 6.526 1.00 0.00 C ATOM 1173 CD2 LEU A 77 9.935 -9.526 8.765 1.00 0.00 C ATOM 0 H LEU A 77 6.605 -9.840 8.924 1.00 0.00 H new ATOM 0 HA LEU A 77 6.088 -7.085 8.894 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.491 -6.936 8.229 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.207 -7.957 9.625 1.00 0.00 H new ATOM 0 HG LEU A 77 8.119 -9.844 7.693 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.904 -9.393 6.056 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.546 -8.257 5.881 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.048 -7.732 6.678 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.465 -10.337 8.265 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.630 -8.712 8.971 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.515 -9.890 9.703 1.00 0.00 H new ATOM 1185 N GLN A 78 6.208 -8.509 5.959 1.00 0.00 N ATOM 1186 CA GLN A 78 5.972 -8.300 4.534 1.00 0.00 C ATOM 1187 C GLN A 78 4.520 -7.913 4.274 1.00 0.00 C ATOM 1188 O GLN A 78 4.223 -7.186 3.325 1.00 0.00 O ATOM 1189 CB GLN A 78 6.324 -9.564 3.748 1.00 0.00 C ATOM 1190 CG GLN A 78 7.772 -9.608 3.286 1.00 0.00 C ATOM 1191 CD GLN A 78 8.068 -8.592 2.201 1.00 0.00 C ATOM 1192 OE1 GLN A 78 7.417 -7.551 2.114 1.00 0.00 O ATOM 1193 NE2 GLN A 78 9.057 -8.891 1.365 1.00 0.00 N ATOM 0 H GLN A 78 6.291 -9.488 6.234 1.00 0.00 H new ATOM 0 HA GLN A 78 6.612 -7.483 4.201 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.123 -10.437 4.370 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.671 -9.635 2.878 1.00 0.00 H new ATOM 0 HG2 GLN A 78 8.427 -9.426 4.138 1.00 0.00 H new ATOM 0 HG3 GLN A 78 8.001 -10.607 2.916 1.00 0.00 H new ATOM 0 HE21 GLN A 78 9.570 -9.766 1.474 1.00 0.00 H new ATOM 0 HE22 GLN A 78 9.303 -8.246 0.614 1.00 0.00 H new ATOM 1202 N ARG A 79 3.619 -8.403 5.119 1.00 0.00 N ATOM 1203 CA ARG A 79 2.198 -8.107 4.978 1.00 0.00 C ATOM 1204 C ARG A 79 1.944 -6.604 5.048 1.00 0.00 C ATOM 1205 O ARG A 79 1.389 -6.014 4.121 1.00 0.00 O ATOM 1206 CB ARG A 79 1.396 -8.822 6.067 1.00 0.00 C ATOM 1207 CG ARG A 79 1.582 -10.329 6.069 1.00 0.00 C ATOM 1208 CD ARG A 79 0.416 -11.033 6.747 1.00 0.00 C ATOM 1209 NE ARG A 79 0.672 -12.459 6.935 1.00 0.00 N ATOM 1210 CZ ARG A 79 -0.249 -13.331 7.339 1.00 0.00 C ATOM 1211 NH1 ARG A 79 -1.487 -12.927 7.597 1.00 0.00 N ATOM 1212 NH2 ARG A 79 0.069 -14.610 7.486 1.00 0.00 N ATOM 0 H ARG A 79 3.848 -9.007 5.909 1.00 0.00 H new ATOM 0 HA ARG A 79 1.874 -8.467 4.001 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.688 -8.427 7.040 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.338 -8.595 5.935 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.678 -10.686 5.044 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.510 -10.582 6.583 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.225 -10.568 7.714 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.485 -10.902 6.147 1.00 0.00 H new ATOM 0 HE ARG A 79 1.612 -12.807 6.746 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.736 -11.944 7.486 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.189 -13.599 7.906 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.019 -14.925 7.290 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.636 -15.279 7.796 1.00 0.00 H new ATOM 1226 N HIS A 80 2.356 -5.990 6.152 1.00 0.00 N ATOM 1227 CA HIS A 80 2.173 -4.556 6.343 1.00 0.00 C ATOM 1228 C HIS A 80 2.941 -3.765 5.289 1.00 0.00 C ATOM 1229 O HIS A 80 2.473 -2.732 4.809 1.00 0.00 O ATOM 1230 CB HIS A 80 2.634 -4.143 7.742 1.00 0.00 C ATOM 1231 CG HIS A 80 1.985 -4.927 8.841 1.00 0.00 C ATOM 1232 ND1 HIS A 80 2.557 -5.096 10.084 1.00 0.00 N ATOM 1233 CD2 HIS A 80 0.804 -5.589 8.879 1.00 0.00 C ATOM 1234 CE1 HIS A 80 1.758 -5.830 10.839 1.00 0.00 C ATOM 1235 NE2 HIS A 80 0.688 -6.141 10.131 1.00 0.00 N ATOM 0 H HIS A 80 2.819 -6.463 6.928 1.00 0.00 H new ATOM 0 HA HIS A 80 1.111 -4.334 6.237 1.00 0.00 H new ATOM 0 HB2 HIS A 80 3.715 -4.264 7.810 1.00 0.00 H new ATOM 0 HB3 HIS A 80 2.422 -3.084 7.888 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.087 -5.668 8.075 1.00 0.00 H new ATOM 0 HE1 HIS A 80 1.948 -6.125 11.860 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -0.098 -6.701 10.461 1.00 0.00 H new ATOM 1244 N ARG A 81 4.123 -4.256 4.932 1.00 0.00 N ATOM 1245 CA ARG A 81 4.956 -3.596 3.934 1.00 0.00 C ATOM 1246 C ARG A 81 4.325 -3.693 2.548 1.00 0.00 C ATOM 1247 O ARG A 81 4.492 -2.801 1.715 1.00 0.00 O ATOM 1248 CB ARG A 81 6.356 -4.214 3.918 1.00 0.00 C ATOM 1249 CG ARG A 81 7.475 -3.186 3.889 1.00 0.00 C ATOM 1250 CD ARG A 81 8.786 -3.799 3.425 1.00 0.00 C ATOM 1251 NE ARG A 81 9.909 -3.395 4.269 1.00 0.00 N ATOM 1252 CZ ARG A 81 11.172 -3.752 4.044 1.00 0.00 C ATOM 1253 NH1 ARG A 81 11.477 -4.519 3.004 1.00 0.00 N ATOM 1254 NH2 ARG A 81 12.132 -3.340 4.860 1.00 0.00 N ATOM 0 H ARG A 81 4.526 -5.109 5.319 1.00 0.00 H new ATOM 0 HA ARG A 81 5.036 -2.543 4.202 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.476 -4.844 4.799 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.448 -4.863 3.047 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.200 -2.367 3.224 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.604 -2.760 4.884 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.700 -4.886 3.431 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.981 -3.501 2.395 1.00 0.00 H new ATOM 0 HE ARG A 81 9.714 -2.805 5.078 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.742 -4.838 2.373 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.446 -4.789 2.837 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.903 -2.750 5.660 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.100 -3.613 4.688 1.00 0.00 H new ATOM 1268 N LEU A 82 3.600 -4.780 2.309 1.00 0.00 N ATOM 1269 CA LEU A 82 2.944 -4.994 1.024 1.00 0.00 C ATOM 1270 C LEU A 82 1.914 -3.902 0.751 1.00 0.00 C ATOM 1271 O LEU A 82 1.894 -3.308 -0.326 1.00 0.00 O ATOM 1272 CB LEU A 82 2.272 -6.368 0.993 1.00 0.00 C ATOM 1273 CG LEU A 82 3.146 -7.504 0.462 1.00 0.00 C ATOM 1274 CD1 LEU A 82 2.742 -8.828 1.092 1.00 0.00 C ATOM 1275 CD2 LEU A 82 3.050 -7.583 -1.054 1.00 0.00 C ATOM 0 H LEU A 82 3.452 -5.527 2.988 1.00 0.00 H new ATOM 0 HA LEU A 82 3.704 -4.953 0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.949 -6.620 2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.374 -6.303 0.378 1.00 0.00 H new ATOM 0 HG LEU A 82 4.182 -7.298 0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.375 -9.625 0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.860 -8.767 2.174 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.700 -9.042 0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.678 -8.397 -1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.015 -7.766 -1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.388 -6.643 -1.489 1.00 0.00 H new ATOM 1287 N VAL A 83 1.059 -3.644 1.736 1.00 0.00 N ATOM 1288 CA VAL A 83 0.025 -2.624 1.603 1.00 0.00 C ATOM 1289 C VAL A 83 0.641 -1.245 1.395 1.00 0.00 C ATOM 1290 O VAL A 83 0.072 -0.398 0.708 1.00 0.00 O ATOM 1291 CB VAL A 83 -0.891 -2.586 2.841 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -2.051 -1.628 2.620 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -1.398 -3.981 3.177 1.00 0.00 C ATOM 0 H VAL A 83 1.062 -4.127 2.634 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.572 -2.889 0.730 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.308 -2.224 3.688 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.686 -1.615 3.506 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.665 -0.625 2.436 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.635 -1.956 1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.043 -3.932 4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.963 -4.376 2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.552 -4.635 3.385 1.00 0.00 H new ATOM 1303 N ASN A 84 1.807 -1.027 1.993 1.00 0.00 N ATOM 1304 CA ASN A 84 2.501 0.250 1.874 1.00 0.00 C ATOM 1305 C ASN A 84 3.080 0.426 0.474 1.00 0.00 C ATOM 1306 O ASN A 84 3.025 1.513 -0.100 1.00 0.00 O ATOM 1307 CB ASN A 84 3.616 0.348 2.916 1.00 0.00 C ATOM 1308 CG ASN A 84 3.085 0.651 4.305 1.00 0.00 C ATOM 1309 OD1 ASN A 84 1.875 0.669 4.529 1.00 0.00 O ATOM 1310 ND2 ASN A 84 3.991 0.891 5.245 1.00 0.00 N ATOM 0 H ASN A 84 2.292 -1.718 2.565 1.00 0.00 H new ATOM 0 HA ASN A 84 1.778 1.046 2.051 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.172 -0.590 2.939 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.318 1.127 2.620 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.694 1.101 6.198 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.984 0.866 5.014 1.00 0.00 H new ATOM 1317 N GLU A 85 3.638 -0.652 -0.069 1.00 0.00 N ATOM 1318 CA GLU A 85 4.228 -0.617 -1.402 1.00 0.00 C ATOM 1319 C GLU A 85 3.158 -0.396 -2.466 1.00 0.00 C ATOM 1320 O GLU A 85 3.407 0.242 -3.489 1.00 0.00 O ATOM 1321 CB GLU A 85 4.982 -1.918 -1.683 1.00 0.00 C ATOM 1322 CG GLU A 85 6.238 -2.086 -0.843 1.00 0.00 C ATOM 1323 CD GLU A 85 7.341 -2.819 -1.582 1.00 0.00 C ATOM 1324 OE1 GLU A 85 7.788 -2.313 -2.633 1.00 0.00 O ATOM 1325 OE2 GLU A 85 7.755 -3.898 -1.112 1.00 0.00 O ATOM 0 H GLU A 85 3.694 -1.559 0.393 1.00 0.00 H new ATOM 0 HA GLU A 85 4.929 0.217 -1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.316 -2.761 -1.499 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.253 -1.950 -2.738 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.600 -1.104 -0.538 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.991 -2.632 0.068 1.00 0.00 H new ATOM 1332 N CYS A 86 1.965 -0.930 -2.219 1.00 0.00 N ATOM 1333 CA CYS A 86 0.857 -0.792 -3.156 1.00 0.00 C ATOM 1334 C CYS A 86 0.509 0.677 -3.374 1.00 0.00 C ATOM 1335 O CYS A 86 0.573 1.181 -4.495 1.00 0.00 O ATOM 1336 CB CYS A 86 -0.370 -1.548 -2.642 1.00 0.00 C ATOM 1337 SG CYS A 86 -1.477 -2.131 -3.947 1.00 0.00 S ATOM 0 H CYS A 86 1.742 -1.462 -1.378 1.00 0.00 H new ATOM 0 HA CYS A 86 1.165 -1.219 -4.110 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -0.037 -2.403 -2.054 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.929 -0.897 -1.970 1.00 0.00 H new ATOM 0 HG CYS A 86 -1.236 -3.385 -4.192 1.00 0.00 H new ATOM 1343 N LEU A 87 0.139 1.359 -2.294 1.00 0.00 N ATOM 1344 CA LEU A 87 -0.219 2.771 -2.368 1.00 0.00 C ATOM 1345 C LEU A 87 0.860 3.640 -1.731 1.00 0.00 C ATOM 1346 O LEU A 87 0.565 4.551 -0.957 1.00 0.00 O ATOM 1347 CB LEU A 87 -1.563 3.013 -1.676 1.00 0.00 C ATOM 1348 CG LEU A 87 -2.755 2.294 -2.308 1.00 0.00 C ATOM 1349 CD1 LEU A 87 -3.783 1.933 -1.247 1.00 0.00 C ATOM 1350 CD2 LEU A 87 -3.385 3.157 -3.390 1.00 0.00 C ATOM 0 H LEU A 87 0.079 0.957 -1.358 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.305 3.045 -3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.480 2.700 -0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.765 4.084 -1.672 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.398 1.373 -2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.625 1.422 -1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.326 1.277 -0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.136 2.841 -0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.232 2.630 -3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.728 4.095 -2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.647 3.366 -4.164 1.00 0.00 H new ATOM 1362 N ALA A 88 2.115 3.352 -2.062 1.00 0.00 N ATOM 1363 CA ALA A 88 3.240 4.106 -1.522 1.00 0.00 C ATOM 1364 C ALA A 88 3.193 5.563 -1.971 1.00 0.00 C ATOM 1365 O ALA A 88 3.634 6.458 -1.250 1.00 0.00 O ATOM 1366 CB ALA A 88 4.554 3.466 -1.943 1.00 0.00 C ATOM 0 H ALA A 88 2.378 2.602 -2.701 1.00 0.00 H new ATOM 0 HA ALA A 88 3.169 4.086 -0.434 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.386 4.039 -1.533 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.598 2.444 -1.567 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.622 3.456 -3.031 1.00 0.00 H new ATOM 1372 N GLU A 89 2.658 5.794 -3.166 1.00 0.00 N ATOM 1373 CA GLU A 89 2.555 7.142 -3.710 1.00 0.00 C ATOM 1374 C GLU A 89 1.432 7.924 -3.034 1.00 0.00 C ATOM 1375 O GLU A 89 1.625 9.060 -2.602 1.00 0.00 O ATOM 1376 CB GLU A 89 2.314 7.086 -5.220 1.00 0.00 C ATOM 1377 CG GLU A 89 3.220 6.104 -5.944 1.00 0.00 C ATOM 1378 CD GLU A 89 3.074 6.179 -7.451 1.00 0.00 C ATOM 1379 OE1 GLU A 89 2.730 7.266 -7.960 1.00 0.00 O ATOM 1380 OE2 GLU A 89 3.306 5.151 -8.122 1.00 0.00 O ATOM 0 H GLU A 89 2.289 5.064 -3.776 1.00 0.00 H new ATOM 0 HA GLU A 89 3.496 7.656 -3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.275 6.813 -5.404 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.461 8.081 -5.640 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.257 6.304 -5.673 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.993 5.092 -5.610 1.00 0.00 H new ATOM 1387 N GLU A 90 0.258 7.309 -2.950 1.00 0.00 N ATOM 1388 CA GLU A 90 -0.903 7.945 -2.333 1.00 0.00 C ATOM 1389 C GLU A 90 -0.786 7.958 -0.811 1.00 0.00 C ATOM 1390 O GLU A 90 -1.318 8.846 -0.147 1.00 0.00 O ATOM 1391 CB GLU A 90 -2.185 7.224 -2.749 1.00 0.00 C ATOM 1392 CG GLU A 90 -2.487 7.327 -4.236 1.00 0.00 C ATOM 1393 CD GLU A 90 -3.132 6.071 -4.788 1.00 0.00 C ATOM 1394 OE1 GLU A 90 -4.276 5.766 -4.390 1.00 0.00 O ATOM 1395 OE2 GLU A 90 -2.493 5.392 -5.620 1.00 0.00 O ATOM 0 H GLU A 90 0.083 6.368 -3.302 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.941 8.977 -2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -2.105 6.172 -2.475 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -3.023 7.637 -2.187 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.147 8.177 -4.411 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.562 7.524 -4.778 1.00 0.00 H new ATOM 1402 N LEU A 91 -0.099 6.958 -0.263 1.00 0.00 N ATOM 1403 CA LEU A 91 0.076 6.839 1.184 1.00 0.00 C ATOM 1404 C LEU A 91 0.444 8.177 1.833 1.00 0.00 C ATOM 1405 O LEU A 91 -0.283 8.670 2.696 1.00 0.00 O ATOM 1406 CB LEU A 91 1.147 5.793 1.502 1.00 0.00 C ATOM 1407 CG LEU A 91 0.611 4.438 1.967 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.755 3.514 2.352 1.00 0.00 C ATOM 1409 CD2 LEU A 91 -0.350 4.616 3.133 1.00 0.00 C ATOM 0 H LEU A 91 0.347 6.215 -0.801 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.880 6.523 1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.758 5.639 0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.804 6.191 2.275 1.00 0.00 H new ATOM 0 HG LEU A 91 0.067 3.982 1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.354 2.555 2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.404 3.360 1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.329 3.964 3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.721 3.642 3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.170 5.094 3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.188 5.240 2.822 1.00 0.00 H new ATOM 1421 N PRO A 92 1.577 8.784 1.435 1.00 0.00 N ATOM 1422 CA PRO A 92 2.023 10.062 1.997 1.00 0.00 C ATOM 1423 C PRO A 92 0.922 11.118 1.978 1.00 0.00 C ATOM 1424 O PRO A 92 0.882 12.000 2.836 1.00 0.00 O ATOM 1425 CB PRO A 92 3.193 10.482 1.093 1.00 0.00 C ATOM 1426 CG PRO A 92 3.170 9.540 -0.067 1.00 0.00 C ATOM 1427 CD PRO A 92 2.513 8.283 0.423 1.00 0.00 C ATOM 0 HA PRO A 92 2.305 9.962 3.045 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.080 11.514 0.761 1.00 0.00 H new ATOM 0 HB3 PRO A 92 4.141 10.421 1.627 1.00 0.00 H new ATOM 0 HG2 PRO A 92 2.617 9.967 -0.903 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.180 9.337 -0.423 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.998 7.756 -0.380 1.00 0.00 H new ATOM 0 HD3 PRO A 92 3.236 7.587 0.849 1.00 0.00 H new ATOM 1435 N HIS A 93 0.029 11.021 1.000 1.00 0.00 N ATOM 1436 CA HIS A 93 -1.074 11.968 0.879 1.00 0.00 C ATOM 1437 C HIS A 93 -2.135 11.702 1.942 1.00 0.00 C ATOM 1438 O HIS A 93 -2.825 12.619 2.387 1.00 0.00 O ATOM 1439 CB HIS A 93 -1.699 11.884 -0.515 1.00 0.00 C ATOM 1440 CG HIS A 93 -0.753 12.246 -1.618 1.00 0.00 C ATOM 1441 ND1 HIS A 93 0.439 11.710 -1.974 1.00 0.00 N flip ATOM 1442 CD2 HIS A 93 -0.989 13.273 -2.507 1.00 0.00 C flip ATOM 1443 CE1 HIS A 93 0.895 12.416 -3.060 1.00 0.00 C flip ATOM 1444 NE2 HIS A 93 0.016 13.354 -3.361 1.00 0.00 N flip ATOM 0 H HIS A 93 0.046 10.298 0.281 1.00 0.00 H new ATOM 0 HA HIS A 93 -0.676 12.972 1.029 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -2.065 10.871 -0.680 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -2.564 12.546 -0.557 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -1.860 13.912 -2.506 1.00 0.00 H new ATOM 0 HE1 HIS A 93 1.822 12.234 -3.583 1.00 0.00 H new ATOM 0 HE2 HIS A 93 0.099 14.027 -4.123 1.00 0.00 H new ATOM 1453 N ILE A 94 -2.260 10.441 2.345 1.00 0.00 N ATOM 1454 CA ILE A 94 -3.237 10.054 3.357 1.00 0.00 C ATOM 1455 C ILE A 94 -2.829 10.561 4.736 1.00 0.00 C ATOM 1456 O ILE A 94 -1.783 10.181 5.263 1.00 0.00 O ATOM 1457 CB ILE A 94 -3.409 8.523 3.421 1.00 0.00 C ATOM 1458 CG1 ILE A 94 -3.583 7.944 2.016 1.00 0.00 C ATOM 1459 CG2 ILE A 94 -4.596 8.161 4.300 1.00 0.00 C ATOM 1460 CD1 ILE A 94 -4.737 8.550 1.249 1.00 0.00 C ATOM 0 H ILE A 94 -1.697 9.670 1.986 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.185 10.508 3.067 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.510 8.091 3.860 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.663 8.098 1.452 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.734 6.867 2.092 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.705 7.077 4.336 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.432 8.543 5.308 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.503 8.603 3.887 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.799 8.091 0.262 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.666 8.373 1.790 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.578 9.623 1.141 1.00 0.00 H new ATOM 1472 N HIS A 95 -3.662 11.417 5.317 1.00 0.00 N ATOM 1473 CA HIS A 95 -3.387 11.971 6.639 1.00 0.00 C ATOM 1474 C HIS A 95 -3.407 10.873 7.698 1.00 0.00 C ATOM 1475 O HIS A 95 -2.689 10.945 8.696 1.00 0.00 O ATOM 1476 CB HIS A 95 -4.412 13.052 6.987 1.00 0.00 C ATOM 1477 CG HIS A 95 -3.906 14.061 7.970 1.00 0.00 C ATOM 1478 ND1 HIS A 95 -2.598 14.495 7.998 1.00 0.00 N ATOM 1479 CD2 HIS A 95 -4.542 14.724 8.965 1.00 0.00 C ATOM 1480 CE1 HIS A 95 -2.450 15.380 8.969 1.00 0.00 C ATOM 1481 NE2 HIS A 95 -3.615 15.536 9.570 1.00 0.00 N ATOM 0 H HIS A 95 -4.532 11.742 4.895 1.00 0.00 H new ATOM 0 HA HIS A 95 -2.393 12.419 6.621 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -4.711 13.565 6.073 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.305 12.577 7.393 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -5.584 14.631 9.233 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -1.533 15.888 9.227 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.797 16.159 10.357 1.00 0.00 H new ATOM 1490 N ALA A 96 -4.232 9.857 7.470 1.00 0.00 N ATOM 1491 CA ALA A 96 -4.348 8.739 8.399 1.00 0.00 C ATOM 1492 C ALA A 96 -4.834 7.484 7.685 1.00 0.00 C ATOM 1493 O ALA A 96 -5.945 7.449 7.157 1.00 0.00 O ATOM 1494 CB ALA A 96 -5.288 9.097 9.541 1.00 0.00 C ATOM 0 H ALA A 96 -4.832 9.785 6.648 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.359 8.533 8.809 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.365 8.253 10.227 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.899 9.964 10.075 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.275 9.331 9.141 1.00 0.00 H new ATOM 1500 N PHE A 97 -3.993 6.455 7.668 1.00 0.00 N ATOM 1501 CA PHE A 97 -4.336 5.198 7.013 1.00 0.00 C ATOM 1502 C PHE A 97 -4.174 4.021 7.970 1.00 0.00 C ATOM 1503 O PHE A 97 -3.292 4.022 8.828 1.00 0.00 O ATOM 1504 CB PHE A 97 -3.460 4.988 5.777 1.00 0.00 C ATOM 1505 CG PHE A 97 -3.984 3.939 4.839 1.00 0.00 C ATOM 1506 CD1 PHE A 97 -3.948 2.599 5.188 1.00 0.00 C ATOM 1507 CD2 PHE A 97 -4.514 4.294 3.608 1.00 0.00 C ATOM 1508 CE1 PHE A 97 -4.429 1.631 4.327 1.00 0.00 C ATOM 1509 CE2 PHE A 97 -4.997 3.330 2.743 1.00 0.00 C ATOM 1510 CZ PHE A 97 -4.955 1.997 3.103 1.00 0.00 C ATOM 0 H PHE A 97 -3.069 6.467 8.100 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.381 5.252 6.706 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.372 5.932 5.240 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.456 4.709 6.097 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -3.539 2.307 6.144 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.550 5.335 3.322 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.394 0.589 4.611 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.407 3.619 1.786 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.333 1.242 2.429 1.00 0.00 H new ATOM 1520 N GLU A 98 -5.032 3.018 7.813 1.00 0.00 N ATOM 1521 CA GLU A 98 -4.985 1.832 8.660 1.00 0.00 C ATOM 1522 C GLU A 98 -5.239 0.571 7.840 1.00 0.00 C ATOM 1523 O GLU A 98 -6.293 0.422 7.222 1.00 0.00 O ATOM 1524 CB GLU A 98 -6.018 1.941 9.783 1.00 0.00 C ATOM 1525 CG GLU A 98 -5.719 1.046 10.974 1.00 0.00 C ATOM 1526 CD GLU A 98 -5.270 1.827 12.194 1.00 0.00 C ATOM 1527 OE1 GLU A 98 -4.101 2.262 12.223 1.00 0.00 O ATOM 1528 OE2 GLU A 98 -6.089 2.003 13.120 1.00 0.00 O ATOM 0 H GLU A 98 -5.768 3.003 7.107 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.989 1.766 9.098 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.067 2.976 10.121 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.001 1.688 9.387 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -6.610 0.470 11.224 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.944 0.330 10.700 1.00 0.00 H new ATOM 1535 N GLN A 99 -4.265 -0.334 7.838 1.00 0.00 N ATOM 1536 CA GLN A 99 -4.384 -1.582 7.092 1.00 0.00 C ATOM 1537 C GLN A 99 -4.374 -2.783 8.032 1.00 0.00 C ATOM 1538 O GLN A 99 -3.575 -2.846 8.966 1.00 0.00 O ATOM 1539 CB GLN A 99 -3.244 -1.704 6.079 1.00 0.00 C ATOM 1540 CG GLN A 99 -1.867 -1.770 6.719 1.00 0.00 C ATOM 1541 CD GLN A 99 -0.848 -0.906 6.001 1.00 0.00 C ATOM 1542 OE1 GLN A 99 -1.206 0.349 5.754 1.00 0.00 O flip ATOM 1543 NE2 GLN A 99 0.248 -1.361 5.674 1.00 0.00 N flip ATOM 0 H GLN A 99 -3.386 -0.227 8.344 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.335 -1.569 6.560 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.399 -2.599 5.476 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.280 -0.852 5.400 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -1.938 -1.453 7.759 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -1.522 -2.804 6.724 1.00 0.00 H new ATOM 0 HE21 GLN A 99 0.481 -2.332 5.884 1.00 0.00 H new ATOM 0 HE22 GLN A 99 0.924 -0.767 5.193 1.00 0.00 H new ATOM 1552 N LYS A 100 -5.267 -3.733 7.777 1.00 0.00 N ATOM 1553 CA LYS A 100 -5.362 -4.934 8.600 1.00 0.00 C ATOM 1554 C LYS A 100 -5.365 -6.188 7.731 1.00 0.00 C ATOM 1555 O LYS A 100 -6.243 -6.368 6.888 1.00 0.00 O ATOM 1556 CB LYS A 100 -6.626 -4.890 9.461 1.00 0.00 C ATOM 1557 CG LYS A 100 -6.405 -4.285 10.838 1.00 0.00 C ATOM 1558 CD LYS A 100 -7.631 -3.526 11.317 1.00 0.00 C ATOM 1559 CE LYS A 100 -7.478 -2.029 11.104 1.00 0.00 C ATOM 1560 NZ LYS A 100 -8.651 -1.271 11.622 1.00 0.00 N ATOM 0 H LYS A 100 -5.935 -3.695 7.007 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.490 -4.968 9.253 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.391 -4.315 8.939 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.012 -5.903 9.576 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.164 -5.075 11.549 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.548 -3.612 10.807 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.512 -3.882 10.783 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.795 -3.729 12.375 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.573 -1.682 11.602 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.355 -1.824 10.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.635 -0.303 11.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -9.528 -1.745 11.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.610 -1.235 12.661 1.00 0.00 H new ATOM 1574 N THR A 101 -4.377 -7.051 7.943 1.00 0.00 N ATOM 1575 CA THR A 101 -4.265 -8.289 7.179 1.00 0.00 C ATOM 1576 C THR A 101 -4.443 -9.504 8.082 1.00 0.00 C ATOM 1577 O THR A 101 -3.865 -9.574 9.168 1.00 0.00 O ATOM 1578 CB THR A 101 -2.909 -8.356 6.475 1.00 0.00 C ATOM 1579 OG1 THR A 101 -1.868 -8.567 7.411 1.00 0.00 O ATOM 1580 CG2 THR A 101 -2.577 -7.103 5.693 1.00 0.00 C ATOM 0 H THR A 101 -3.642 -6.916 8.637 1.00 0.00 H new ATOM 0 HA THR A 101 -5.057 -8.298 6.430 1.00 0.00 H new ATOM 0 HB THR A 101 -2.987 -9.190 5.777 1.00 0.00 H new ATOM 0 HG1 THR A 101 -1.234 -7.821 7.369 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.602 -7.218 5.219 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.336 -6.940 4.928 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.554 -6.248 6.369 1.00 0.00 H new ATOM 1588 N LEU A 102 -5.247 -10.461 7.627 1.00 0.00 N ATOM 1589 CA LEU A 102 -5.500 -11.674 8.394 1.00 0.00 C ATOM 1590 C LEU A 102 -5.783 -12.855 7.469 1.00 0.00 C ATOM 1591 O LEU A 102 -6.010 -12.677 6.272 1.00 0.00 O ATOM 1592 CB LEU A 102 -6.677 -11.461 9.350 1.00 0.00 C ATOM 1593 CG LEU A 102 -6.321 -11.509 10.837 1.00 0.00 C ATOM 1594 CD1 LEU A 102 -7.565 -11.312 11.690 1.00 0.00 C ATOM 1595 CD2 LEU A 102 -5.640 -12.825 11.180 1.00 0.00 C ATOM 0 H LEU A 102 -5.734 -10.419 6.732 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.606 -11.901 8.976 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.132 -10.495 9.132 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.431 -12.221 9.148 1.00 0.00 H new ATOM 0 HG LEU A 102 -5.626 -10.697 11.051 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.293 -11.349 12.745 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.011 -10.343 11.464 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.284 -12.102 11.473 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.394 -12.841 12.242 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.311 -13.653 10.950 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.726 -12.925 10.594 1.00 0.00 H new ATOM 1607 N THR A 103 -5.771 -14.057 8.033 1.00 0.00 N ATOM 1608 CA THR A 103 -6.028 -15.267 7.261 1.00 0.00 C ATOM 1609 C THR A 103 -7.525 -15.561 7.194 1.00 0.00 C ATOM 1610 O THR A 103 -8.286 -15.147 8.068 1.00 0.00 O ATOM 1611 CB THR A 103 -5.291 -16.457 7.879 1.00 0.00 C ATOM 1612 OG1 THR A 103 -5.728 -16.682 9.208 1.00 0.00 O ATOM 1613 CG2 THR A 103 -3.788 -16.278 7.914 1.00 0.00 C ATOM 0 H THR A 103 -5.586 -14.220 9.023 1.00 0.00 H new ATOM 0 HA THR A 103 -5.661 -15.107 6.247 1.00 0.00 H new ATOM 0 HB THR A 103 -5.524 -17.306 7.237 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.213 -17.417 9.602 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.327 -17.157 8.364 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.413 -16.151 6.898 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.540 -15.396 8.505 1.00 0.00 H new ATOM 1621 N PRO A 104 -7.968 -16.282 6.150 1.00 0.00 N ATOM 1622 CA PRO A 104 -9.383 -16.628 5.974 1.00 0.00 C ATOM 1623 C PRO A 104 -9.890 -17.555 7.073 1.00 0.00 C ATOM 1624 O PRO A 104 -11.065 -17.514 7.440 1.00 0.00 O ATOM 1625 CB PRO A 104 -9.416 -17.337 4.617 1.00 0.00 C ATOM 1626 CG PRO A 104 -8.025 -17.825 4.404 1.00 0.00 C ATOM 1627 CD PRO A 104 -7.129 -16.815 5.062 1.00 0.00 C ATOM 0 HA PRO A 104 -10.025 -15.749 6.022 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -10.128 -18.162 4.620 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -9.721 -16.656 3.823 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -7.887 -18.814 4.842 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -7.800 -17.913 3.341 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.217 -17.274 5.444 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -6.825 -16.032 4.367 1.00 0.00 H new ATOM 1635 N GLU A 105 -8.999 -18.390 7.595 1.00 0.00 N ATOM 1636 CA GLU A 105 -9.358 -19.327 8.654 1.00 0.00 C ATOM 1637 C GLU A 105 -9.643 -18.590 9.959 1.00 0.00 C ATOM 1638 O GLU A 105 -10.509 -18.994 10.735 1.00 0.00 O ATOM 1639 CB GLU A 105 -8.236 -20.346 8.865 1.00 0.00 C ATOM 1640 CG GLU A 105 -8.709 -21.652 9.479 1.00 0.00 C ATOM 1641 CD GLU A 105 -7.574 -22.459 10.080 1.00 0.00 C ATOM 1642 OE1 GLU A 105 -6.766 -21.876 10.833 1.00 0.00 O ATOM 1643 OE2 GLU A 105 -7.494 -23.673 9.799 1.00 0.00 O ATOM 0 H GLU A 105 -8.023 -18.438 7.303 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.263 -19.852 8.349 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.762 -20.556 7.906 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.474 -19.907 9.508 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.448 -21.439 10.252 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.209 -22.248 8.716 1.00 0.00 H new ATOM 1650 N GLN A 106 -8.909 -17.508 10.193 1.00 0.00 N ATOM 1651 CA GLN A 106 -9.083 -16.713 11.404 1.00 0.00 C ATOM 1652 C GLN A 106 -10.352 -15.872 11.324 1.00 0.00 C ATOM 1653 O GLN A 106 -11.162 -15.859 12.253 1.00 0.00 O ATOM 1654 CB GLN A 106 -7.870 -15.809 11.624 1.00 0.00 C ATOM 1655 CG GLN A 106 -6.594 -16.570 11.942 1.00 0.00 C ATOM 1656 CD GLN A 106 -6.530 -17.024 13.387 1.00 0.00 C ATOM 1657 OE1 GLN A 106 -6.662 -16.219 14.309 1.00 0.00 O ATOM 1658 NE2 GLN A 106 -6.326 -18.319 13.592 1.00 0.00 N ATOM 0 H GLN A 106 -8.188 -17.161 9.561 1.00 0.00 H new ATOM 0 HA GLN A 106 -9.175 -17.397 12.248 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.710 -15.206 10.730 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.085 -15.119 12.440 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -6.522 -17.439 11.288 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -5.734 -15.936 11.726 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -6.222 -18.951 12.798 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -6.273 -18.683 14.544 1.00 0.00 H new ATOM 1667 N TRP A 107 -10.521 -15.167 10.209 1.00 0.00 N ATOM 1668 CA TRP A 107 -11.692 -14.322 10.009 1.00 0.00 C ATOM 1669 C TRP A 107 -12.977 -15.142 10.076 1.00 0.00 C ATOM 1670 O TRP A 107 -13.957 -14.730 10.697 1.00 0.00 O ATOM 1671 CB TRP A 107 -11.603 -13.600 8.666 1.00 0.00 C ATOM 1672 CG TRP A 107 -12.082 -12.183 8.729 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -13.341 -11.734 8.468 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -11.309 -11.033 9.085 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -13.399 -10.370 8.632 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -12.164 -9.917 9.011 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -9.977 -10.838 9.456 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -11.727 -8.625 9.295 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -9.544 -9.556 9.739 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -10.418 -8.463 9.657 1.00 0.00 C ATOM 0 H TRP A 107 -9.862 -15.165 9.431 1.00 0.00 H new ATOM 0 HA TRP A 107 -11.714 -13.583 10.810 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -10.569 -13.613 8.321 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -12.192 -14.144 7.928 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -14.172 -12.358 8.175 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -14.227 -9.790 8.494 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -9.297 -11.674 9.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -12.398 -7.781 9.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -8.516 -9.394 10.028 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -10.050 -7.473 9.884 1.00 0.00 H new ATOM 1691 N THR A 108 -12.965 -16.306 9.434 1.00 0.00 N ATOM 1692 CA THR A 108 -14.128 -17.183 9.421 1.00 0.00 C ATOM 1693 C THR A 108 -14.516 -17.595 10.838 1.00 0.00 C ATOM 1694 O THR A 108 -15.689 -17.828 11.128 1.00 0.00 O ATOM 1695 CB THR A 108 -13.841 -18.426 8.576 1.00 0.00 C ATOM 1696 OG1 THR A 108 -13.482 -18.062 7.255 1.00 0.00 O ATOM 1697 CG2 THR A 108 -15.017 -19.372 8.486 1.00 0.00 C ATOM 0 H THR A 108 -12.162 -16.663 8.916 1.00 0.00 H new ATOM 0 HA THR A 108 -14.962 -16.636 8.982 1.00 0.00 H new ATOM 0 HB THR A 108 -13.022 -18.937 9.082 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.522 -18.210 7.124 1.00 0.00 H new ATOM 0 HG21 THR A 108 -14.746 -20.232 7.873 1.00 0.00 H new ATOM 0 HG22 THR A 108 -15.289 -19.711 9.486 1.00 0.00 H new ATOM 0 HG23 THR A 108 -15.865 -18.857 8.034 1.00 0.00 H new