USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=9 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 103 THR OG1 : rot -69:sc= -1.12 USER MOD Set 1.2: A 106 GLN : amide:sc= -2.25! C(o=-3.4!,f=-11!) USER MOD Set 2.1: A 84 ASN : amide:sc= -0.0462 K(o=-3.4,f=-10) USER MOD Set 2.2: A 99 GLN : amide:sc= -3.39! C(o=-3.4!,f=-8.3!) 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+ 168:sc= 0 (180deg=-0.0878) 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 -26:sc= 0.261 USER MOD Single : A 68 SER OG : rot -160:sc= -0.948 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -3.98! C(o=-4!,f=-8!) USER MOD Single : A 80 HIS : no HD1:sc= -0.0563 X(o=-0.056,f=0) USER MOD Single : A 86 CYS SG : rot 160:sc= -2.62 USER MOD Single : A 93 HIS : no HD1:sc= -0.275 X(o=-0.28,f=-0.009) USER MOD Single : A 95 HIS : no HD1:sc= -0.0438 K(o=-0.044,f=-0.61) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot -100:sc= -0.986 USER MOD Single : A 108 THR OG1 : rot 93:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 427 N SER A 31 -9.620 7.567 -3.343 1.00 0.00 N ATOM 428 CA SER A 31 -10.981 7.264 -2.912 1.00 0.00 C ATOM 429 C SER A 31 -11.020 5.974 -2.099 1.00 0.00 C ATOM 430 O SER A 31 -9.990 5.339 -1.873 1.00 0.00 O ATOM 431 CB SER A 31 -11.906 7.146 -4.125 1.00 0.00 C ATOM 432 OG SER A 31 -12.447 8.406 -4.480 1.00 0.00 O ATOM 0 HA SER A 31 -11.326 8.081 -2.278 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.353 6.734 -4.969 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.714 6.449 -3.903 1.00 0.00 H new ATOM 0 HG SER A 31 -13.033 8.303 -5.259 1.00 0.00 H new ATOM 438 N ALA A 32 -12.215 5.592 -1.663 1.00 0.00 N ATOM 439 CA ALA A 32 -12.389 4.378 -0.876 1.00 0.00 C ATOM 440 C ALA A 32 -12.283 3.135 -1.753 1.00 0.00 C ATOM 441 O ALA A 32 -11.506 2.224 -1.464 1.00 0.00 O ATOM 442 CB ALA A 32 -13.728 4.405 -0.153 1.00 0.00 C ATOM 0 H ALA A 32 -13.078 6.106 -1.842 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.590 4.337 -0.136 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.845 3.492 0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.765 5.268 0.512 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.534 4.474 -0.883 1.00 0.00 H new ATOM 448 N ASP A 33 -13.069 3.103 -2.823 1.00 0.00 N ATOM 449 CA ASP A 33 -13.064 1.972 -3.743 1.00 0.00 C ATOM 450 C ASP A 33 -11.719 1.850 -4.449 1.00 0.00 C ATOM 451 O ASP A 33 -11.280 0.750 -4.787 1.00 0.00 O ATOM 452 CB ASP A 33 -14.184 2.121 -4.775 1.00 0.00 C ATOM 453 CG ASP A 33 -14.822 0.793 -5.131 1.00 0.00 C ATOM 454 OD1 ASP A 33 -15.521 0.220 -4.269 1.00 0.00 O ATOM 455 OD2 ASP A 33 -14.625 0.327 -6.273 1.00 0.00 O ATOM 0 H ASP A 33 -13.718 3.848 -3.075 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.232 1.064 -3.163 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.947 2.794 -4.384 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.784 2.582 -5.678 1.00 0.00 H new ATOM 460 N TYR A 34 -11.068 2.987 -4.672 1.00 0.00 N ATOM 461 CA TYR A 34 -9.771 3.007 -5.340 1.00 0.00 C ATOM 462 C TYR A 34 -8.741 2.202 -4.554 1.00 0.00 C ATOM 463 O TYR A 34 -8.172 1.237 -5.065 1.00 0.00 O ATOM 464 CB TYR A 34 -9.285 4.447 -5.511 1.00 0.00 C ATOM 465 CG TYR A 34 -8.056 4.574 -6.383 1.00 0.00 C ATOM 466 CD1 TYR A 34 -8.028 4.026 -7.660 1.00 0.00 C ATOM 467 CD2 TYR A 34 -6.925 5.239 -5.930 1.00 0.00 C ATOM 468 CE1 TYR A 34 -6.907 4.138 -8.460 1.00 0.00 C ATOM 469 CE2 TYR A 34 -5.799 5.356 -6.724 1.00 0.00 C ATOM 470 CZ TYR A 34 -5.796 4.804 -7.987 1.00 0.00 C ATOM 471 OH TYR A 34 -4.678 4.918 -8.782 1.00 0.00 O ATOM 0 H TYR A 34 -11.417 3.906 -4.400 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.890 2.551 -6.323 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.089 5.044 -5.942 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.068 4.867 -4.529 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.897 3.504 -8.033 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.924 5.672 -4.941 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.901 3.706 -9.450 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.927 5.877 -6.357 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.984 5.416 -8.301 1.00 0.00 H new ATOM 481 N LEU A 35 -8.507 2.604 -3.310 1.00 0.00 N ATOM 482 CA LEU A 35 -7.545 1.920 -2.453 1.00 0.00 C ATOM 483 C LEU A 35 -7.960 0.471 -2.216 1.00 0.00 C ATOM 484 O LEU A 35 -7.115 -0.404 -2.034 1.00 0.00 O ATOM 485 CB LEU A 35 -7.412 2.650 -1.115 1.00 0.00 C ATOM 486 CG LEU A 35 -7.120 4.148 -1.221 1.00 0.00 C ATOM 487 CD1 LEU A 35 -7.192 4.804 0.150 1.00 0.00 C ATOM 488 CD2 LEU A 35 -5.758 4.381 -1.855 1.00 0.00 C ATOM 0 H LEU A 35 -8.970 3.400 -2.872 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.579 1.924 -2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.335 2.514 -0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.615 2.180 -0.540 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.878 4.603 -1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.982 5.869 0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.190 4.667 0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.456 4.346 0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.567 5.452 -1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.987 3.912 -1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.743 3.946 -2.854 1.00 0.00 H new ATOM 500 N ARG A 36 -9.267 0.227 -2.219 1.00 0.00 N ATOM 501 CA ARG A 36 -9.794 -1.116 -2.004 1.00 0.00 C ATOM 502 C ARG A 36 -9.486 -2.020 -3.193 1.00 0.00 C ATOM 503 O ARG A 36 -8.814 -3.043 -3.052 1.00 0.00 O ATOM 504 CB ARG A 36 -11.304 -1.061 -1.768 1.00 0.00 C ATOM 505 CG ARG A 36 -11.886 -2.366 -1.247 1.00 0.00 C ATOM 506 CD ARG A 36 -13.326 -2.552 -1.697 1.00 0.00 C ATOM 507 NE ARG A 36 -14.144 -3.186 -0.666 1.00 0.00 N ATOM 508 CZ ARG A 36 -15.475 -3.150 -0.650 1.00 0.00 C ATOM 509 NH1 ARG A 36 -16.140 -2.513 -1.605 1.00 0.00 N ATOM 510 NH2 ARG A 36 -16.142 -3.754 0.324 1.00 0.00 N ATOM 0 H ARG A 36 -9.980 0.941 -2.368 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.309 -1.532 -1.121 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.523 -0.265 -1.056 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.800 -0.799 -2.702 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.282 -3.202 -1.601 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.840 -2.377 -0.158 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.754 -1.583 -1.954 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.348 -3.160 -2.602 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.668 -3.685 0.085 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.632 -2.047 -2.357 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -17.160 -2.489 -1.587 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.635 -4.246 1.060 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.162 -3.727 0.337 1.00 0.00 H new ATOM 524 N GLU A 37 -9.982 -1.637 -4.366 1.00 0.00 N ATOM 525 CA GLU A 37 -9.761 -2.414 -5.579 1.00 0.00 C ATOM 526 C GLU A 37 -8.271 -2.534 -5.886 1.00 0.00 C ATOM 527 O GLU A 37 -7.806 -3.572 -6.357 1.00 0.00 O ATOM 528 CB GLU A 37 -10.486 -1.768 -6.762 1.00 0.00 C ATOM 529 CG GLU A 37 -11.997 -1.742 -6.608 1.00 0.00 C ATOM 530 CD GLU A 37 -12.658 -3.005 -7.123 1.00 0.00 C ATOM 531 OE1 GLU A 37 -12.043 -3.696 -7.963 1.00 0.00 O ATOM 532 OE2 GLU A 37 -13.791 -3.304 -6.687 1.00 0.00 O ATOM 0 H GLU A 37 -10.539 -0.793 -4.501 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.162 -3.415 -5.417 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.124 -0.747 -6.886 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.231 -2.309 -7.673 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.249 -1.608 -5.556 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.398 -0.882 -7.144 1.00 0.00 H new ATOM 539 N LYS A 38 -7.528 -1.466 -5.616 1.00 0.00 N ATOM 540 CA LYS A 38 -6.091 -1.452 -5.863 1.00 0.00 C ATOM 541 C LYS A 38 -5.389 -2.541 -5.058 1.00 0.00 C ATOM 542 O LYS A 38 -4.498 -3.223 -5.563 1.00 0.00 O ATOM 543 CB LYS A 38 -5.505 -0.084 -5.511 1.00 0.00 C ATOM 544 CG LYS A 38 -4.054 0.082 -5.931 1.00 0.00 C ATOM 545 CD LYS A 38 -3.729 1.532 -6.254 1.00 0.00 C ATOM 546 CE LYS A 38 -2.364 1.665 -6.908 1.00 0.00 C ATOM 547 NZ LYS A 38 -2.364 1.156 -8.307 1.00 0.00 N ATOM 0 H LYS A 38 -7.897 -0.599 -5.226 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.929 -1.647 -6.923 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.104 0.692 -5.988 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.583 0.069 -4.435 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.401 -0.269 -5.132 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.853 -0.540 -6.803 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.493 1.938 -6.918 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.754 2.124 -5.339 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.060 2.712 -6.903 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.626 1.116 -6.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.485 1.446 -8.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.427 0.118 -8.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.180 1.548 -8.819 1.00 0.00 H new ATOM 561 N LEU A 39 -5.797 -2.698 -3.803 1.00 0.00 N ATOM 562 CA LEU A 39 -5.206 -3.704 -2.928 1.00 0.00 C ATOM 563 C LEU A 39 -5.699 -5.101 -3.292 1.00 0.00 C ATOM 564 O LEU A 39 -4.905 -6.028 -3.450 1.00 0.00 O ATOM 565 CB LEU A 39 -5.541 -3.397 -1.466 1.00 0.00 C ATOM 566 CG LEU A 39 -4.802 -2.199 -0.870 1.00 0.00 C ATOM 567 CD1 LEU A 39 -5.157 -2.029 0.599 1.00 0.00 C ATOM 568 CD2 LEU A 39 -3.300 -2.361 -1.042 1.00 0.00 C ATOM 0 H LEU A 39 -6.534 -2.142 -3.369 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.125 -3.675 -3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.613 -3.220 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.317 -4.278 -0.865 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.114 -1.301 -1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.621 -1.171 1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.230 -1.867 0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.874 -2.927 1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.790 -1.499 -0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.971 -3.268 -0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.061 -2.432 -2.103 1.00 0.00 H new ATOM 580 N ARG A 40 -7.014 -5.243 -3.425 1.00 0.00 N ATOM 581 CA ARG A 40 -7.615 -6.527 -3.770 1.00 0.00 C ATOM 582 C ARG A 40 -7.079 -7.043 -5.093 1.00 0.00 C ATOM 583 O ARG A 40 -6.864 -8.244 -5.259 1.00 0.00 O ATOM 584 CB ARG A 40 -9.137 -6.404 -3.834 1.00 0.00 C ATOM 585 CG ARG A 40 -9.843 -7.713 -4.147 1.00 0.00 C ATOM 586 CD ARG A 40 -10.210 -7.810 -5.619 1.00 0.00 C ATOM 587 NE ARG A 40 -10.244 -9.194 -6.085 1.00 0.00 N ATOM 588 CZ ARG A 40 -10.582 -9.553 -7.322 1.00 0.00 C ATOM 589 NH1 ARG A 40 -10.916 -8.633 -8.219 1.00 0.00 N ATOM 590 NH2 ARG A 40 -10.587 -10.834 -7.663 1.00 0.00 N ATOM 0 H ARG A 40 -7.684 -4.484 -3.299 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.349 -7.241 -2.991 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.502 -6.023 -2.880 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.402 -5.668 -4.593 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.198 -8.549 -3.876 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.745 -7.796 -3.540 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.184 -7.349 -5.781 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.489 -7.246 -6.210 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.994 -9.929 -5.424 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.914 -7.646 -7.962 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.174 -8.913 -9.165 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.332 -11.545 -6.978 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.846 -11.108 -8.611 1.00 0.00 H new ATOM 604 N GLN A 41 -6.867 -6.139 -6.034 1.00 0.00 N ATOM 605 CA GLN A 41 -6.360 -6.523 -7.337 1.00 0.00 C ATOM 606 C GLN A 41 -4.870 -6.845 -7.273 1.00 0.00 C ATOM 607 O GLN A 41 -4.418 -7.853 -7.816 1.00 0.00 O ATOM 608 CB GLN A 41 -6.619 -5.419 -8.363 1.00 0.00 C ATOM 609 CG GLN A 41 -8.091 -5.217 -8.682 1.00 0.00 C ATOM 610 CD GLN A 41 -8.467 -5.735 -10.056 1.00 0.00 C ATOM 611 OE1 GLN A 41 -8.214 -6.893 -10.387 1.00 0.00 O ATOM 612 NE2 GLN A 41 -9.075 -4.876 -10.866 1.00 0.00 N ATOM 0 H GLN A 41 -7.037 -5.140 -5.920 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.890 -7.422 -7.650 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.205 -4.483 -7.989 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.086 -5.658 -9.283 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.695 -5.724 -7.929 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.330 -4.155 -8.620 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.265 -3.925 -10.551 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.352 -5.167 -11.804 1.00 0.00 H new ATOM 621 N ASP A 42 -4.110 -5.981 -6.606 1.00 0.00 N ATOM 622 CA ASP A 42 -2.671 -6.174 -6.472 1.00 0.00 C ATOM 623 C ASP A 42 -2.361 -7.366 -5.571 1.00 0.00 C ATOM 624 O ASP A 42 -1.721 -8.328 -5.995 1.00 0.00 O ATOM 625 CB ASP A 42 -2.017 -4.911 -5.910 1.00 0.00 C ATOM 626 CG ASP A 42 -0.504 -4.951 -6.007 1.00 0.00 C ATOM 627 OD1 ASP A 42 0.110 -5.815 -5.345 1.00 0.00 O ATOM 628 OD2 ASP A 42 0.066 -4.121 -6.744 1.00 0.00 O ATOM 0 H ASP A 42 -4.467 -5.141 -6.150 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.264 -6.377 -7.463 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.390 -4.041 -6.450 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.308 -4.788 -4.867 1.00 0.00 H new ATOM 633 N LEU A 43 -2.819 -7.293 -4.325 1.00 0.00 N ATOM 634 CA LEU A 43 -2.589 -8.366 -3.363 1.00 0.00 C ATOM 635 C LEU A 43 -3.315 -9.642 -3.780 1.00 0.00 C ATOM 636 O LEU A 43 -2.916 -10.744 -3.402 1.00 0.00 O ATOM 637 CB LEU A 43 -3.052 -7.936 -1.970 1.00 0.00 C ATOM 638 CG LEU A 43 -2.185 -6.868 -1.300 1.00 0.00 C ATOM 639 CD1 LEU A 43 -3.019 -6.025 -0.348 1.00 0.00 C ATOM 640 CD2 LEU A 43 -1.021 -7.514 -0.564 1.00 0.00 C ATOM 0 H LEU A 43 -3.351 -6.504 -3.958 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.519 -8.572 -3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.073 -7.560 -2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.081 -8.815 -1.326 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.782 -6.214 -2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.386 -5.271 0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.819 -5.535 -0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.450 -6.665 0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.414 -6.741 -0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.404 -8.190 0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.410 -8.075 -1.271 1.00 0.00 H new ATOM 652 N GLU A 44 -4.382 -9.488 -4.560 1.00 0.00 N ATOM 653 CA GLU A 44 -5.160 -10.630 -5.025 1.00 0.00 C ATOM 654 C GLU A 44 -5.774 -11.382 -3.847 1.00 0.00 C ATOM 655 O GLU A 44 -5.714 -12.610 -3.779 1.00 0.00 O ATOM 656 CB GLU A 44 -4.280 -11.573 -5.848 1.00 0.00 C ATOM 657 CG GLU A 44 -4.241 -11.231 -7.329 1.00 0.00 C ATOM 658 CD GLU A 44 -4.039 -12.452 -8.204 1.00 0.00 C ATOM 659 OE1 GLU A 44 -3.198 -13.305 -7.850 1.00 0.00 O ATOM 660 OE2 GLU A 44 -4.721 -12.556 -9.245 1.00 0.00 O ATOM 0 H GLU A 44 -4.726 -8.584 -4.882 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.967 -10.258 -5.656 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.265 -11.548 -5.451 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.644 -12.593 -5.729 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.172 -10.738 -7.609 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.436 -10.520 -7.513 1.00 0.00 H new ATOM 667 N ALA A 45 -6.366 -10.635 -2.921 1.00 0.00 N ATOM 668 CA ALA A 45 -6.991 -11.226 -1.745 1.00 0.00 C ATOM 669 C ALA A 45 -8.368 -11.789 -2.079 1.00 0.00 C ATOM 670 O ALA A 45 -8.791 -11.778 -3.236 1.00 0.00 O ATOM 671 CB ALA A 45 -7.097 -10.196 -0.630 1.00 0.00 C ATOM 0 H ALA A 45 -6.426 -9.618 -2.963 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.363 -12.050 -1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.566 -10.651 0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.100 -9.844 -0.364 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.701 -9.354 -0.969 1.00 0.00 H new ATOM 677 N GLU A 46 -9.063 -12.282 -1.059 1.00 0.00 N ATOM 678 CA GLU A 46 -10.394 -12.849 -1.243 1.00 0.00 C ATOM 679 C GLU A 46 -11.474 -11.823 -0.917 1.00 0.00 C ATOM 680 O GLU A 46 -12.361 -11.560 -1.728 1.00 0.00 O ATOM 681 CB GLU A 46 -10.568 -14.089 -0.364 1.00 0.00 C ATOM 682 CG GLU A 46 -9.887 -15.330 -0.917 1.00 0.00 C ATOM 683 CD GLU A 46 -10.337 -16.601 -0.224 1.00 0.00 C ATOM 684 OE1 GLU A 46 -11.561 -16.843 -0.165 1.00 0.00 O ATOM 685 OE2 GLU A 46 -9.466 -17.353 0.261 1.00 0.00 O ATOM 0 H GLU A 46 -8.726 -12.300 -0.096 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.498 -13.136 -2.289 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.170 -13.879 0.629 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.632 -14.292 -0.244 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.096 -15.409 -1.984 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.807 -15.225 -0.810 1.00 0.00 H new ATOM 692 N HIS A 47 -11.392 -11.246 0.278 1.00 0.00 N ATOM 693 CA HIS A 47 -12.362 -10.249 0.714 1.00 0.00 C ATOM 694 C HIS A 47 -11.669 -8.938 1.072 1.00 0.00 C ATOM 695 O HIS A 47 -10.544 -8.935 1.572 1.00 0.00 O ATOM 696 CB HIS A 47 -13.152 -10.767 1.918 1.00 0.00 C ATOM 697 CG HIS A 47 -14.591 -10.354 1.911 1.00 0.00 C ATOM 698 ND1 HIS A 47 -15.604 -11.163 1.442 1.00 0.00 N ATOM 699 CD2 HIS A 47 -15.186 -9.209 2.324 1.00 0.00 C ATOM 700 CE1 HIS A 47 -16.759 -10.532 1.564 1.00 0.00 C ATOM 701 NE2 HIS A 47 -16.533 -9.347 2.096 1.00 0.00 N ATOM 0 H HIS A 47 -10.663 -11.452 0.961 1.00 0.00 H new ATOM 0 HA HIS A 47 -13.051 -10.063 -0.110 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.095 -11.855 1.939 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -12.683 -10.405 2.833 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -14.693 -8.349 2.752 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -17.725 -10.921 1.277 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -17.244 -8.646 2.305 1.00 0.00 H new ATOM 710 N VAL A 48 -12.348 -7.824 0.812 1.00 0.00 N ATOM 711 CA VAL A 48 -11.796 -6.508 1.107 1.00 0.00 C ATOM 712 C VAL A 48 -12.879 -5.558 1.607 1.00 0.00 C ATOM 713 O VAL A 48 -14.059 -5.730 1.302 1.00 0.00 O ATOM 714 CB VAL A 48 -11.120 -5.891 -0.132 1.00 0.00 C ATOM 715 CG1 VAL A 48 -9.852 -6.652 -0.483 1.00 0.00 C ATOM 716 CG2 VAL A 48 -12.082 -5.870 -1.310 1.00 0.00 C ATOM 0 H VAL A 48 -13.280 -7.808 0.398 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.048 -6.647 1.888 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.845 -4.862 0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.389 -6.202 -1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.158 -6.609 0.356 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.099 -7.692 -0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -11.587 -5.431 -2.176 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.390 -6.888 -1.546 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.959 -5.276 -1.053 1.00 0.00 H new ATOM 726 N GLU A 49 -12.469 -4.554 2.375 1.00 0.00 N ATOM 727 CA GLU A 49 -13.404 -3.574 2.917 1.00 0.00 C ATOM 728 C GLU A 49 -12.728 -2.219 3.096 1.00 0.00 C ATOM 729 O GLU A 49 -11.646 -2.125 3.675 1.00 0.00 O ATOM 730 CB GLU A 49 -13.964 -4.060 4.255 1.00 0.00 C ATOM 731 CG GLU A 49 -15.072 -3.179 4.806 1.00 0.00 C ATOM 732 CD GLU A 49 -16.344 -3.261 3.984 1.00 0.00 C ATOM 733 OE1 GLU A 49 -16.787 -4.390 3.686 1.00 0.00 O ATOM 734 OE2 GLU A 49 -16.897 -2.195 3.639 1.00 0.00 O ATOM 0 H GLU A 49 -11.496 -4.397 2.636 1.00 0.00 H new ATOM 0 HA GLU A 49 -14.224 -3.459 2.208 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.344 -5.074 4.133 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.154 -4.108 4.983 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.288 -3.473 5.833 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.729 -2.145 4.835 1.00 0.00 H new ATOM 741 N VAL A 50 -13.374 -1.171 2.596 1.00 0.00 N ATOM 742 CA VAL A 50 -12.836 0.180 2.701 1.00 0.00 C ATOM 743 C VAL A 50 -13.865 1.136 3.298 1.00 0.00 C ATOM 744 O VAL A 50 -15.071 0.951 3.130 1.00 0.00 O ATOM 745 CB VAL A 50 -12.386 0.714 1.327 1.00 0.00 C ATOM 746 CG1 VAL A 50 -13.563 0.784 0.364 1.00 0.00 C ATOM 747 CG2 VAL A 50 -11.723 2.075 1.471 1.00 0.00 C ATOM 0 H VAL A 50 -14.271 -1.231 2.114 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.970 0.127 3.361 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.653 0.021 0.915 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.223 1.164 -0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -13.986 -0.212 0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.325 1.451 0.768 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.413 2.434 0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.430 2.780 1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.850 1.988 2.118 1.00 0.00 H new ATOM 757 N GLU A 51 -13.381 2.158 3.996 1.00 0.00 N ATOM 758 CA GLU A 51 -14.257 3.143 4.618 1.00 0.00 C ATOM 759 C GLU A 51 -13.578 4.505 4.695 1.00 0.00 C ATOM 760 O GLU A 51 -12.406 4.647 4.346 1.00 0.00 O ATOM 761 CB GLU A 51 -14.663 2.682 6.020 1.00 0.00 C ATOM 762 CG GLU A 51 -13.505 2.147 6.844 1.00 0.00 C ATOM 763 CD GLU A 51 -13.965 1.296 8.012 1.00 0.00 C ATOM 764 OE1 GLU A 51 -14.166 0.080 7.818 1.00 0.00 O ATOM 765 OE2 GLU A 51 -14.122 1.847 9.123 1.00 0.00 O ATOM 0 H GLU A 51 -12.386 2.325 4.145 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.150 3.238 4.001 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.119 3.518 6.550 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.424 1.907 5.932 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -12.851 1.555 6.204 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.914 2.983 7.219 1.00 0.00 H new ATOM 772 N ASP A 52 -14.325 5.504 5.149 1.00 0.00 N ATOM 773 CA ASP A 52 -13.801 6.858 5.268 1.00 0.00 C ATOM 774 C ASP A 52 -14.482 7.603 6.413 1.00 0.00 C ATOM 775 O ASP A 52 -15.668 7.405 6.677 1.00 0.00 O ATOM 776 CB ASP A 52 -13.999 7.613 3.952 1.00 0.00 C ATOM 777 CG ASP A 52 -13.565 9.064 4.037 1.00 0.00 C ATOM 778 OD1 ASP A 52 -12.424 9.318 4.476 1.00 0.00 O ATOM 779 OD2 ASP A 52 -14.368 9.946 3.664 1.00 0.00 O ATOM 0 H ASP A 52 -15.297 5.401 5.441 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.735 6.799 5.486 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.434 7.115 3.164 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.050 7.569 3.667 1.00 0.00 H new ATOM 904 N SER A 61 -8.400 10.415 5.421 1.00 0.00 N ATOM 905 CA SER A 61 -8.100 9.206 6.179 1.00 0.00 C ATOM 906 C SER A 61 -9.075 8.087 5.826 1.00 0.00 C ATOM 907 O SER A 61 -10.289 8.291 5.813 1.00 0.00 O ATOM 908 CB SER A 61 -8.154 9.490 7.680 1.00 0.00 C ATOM 909 OG SER A 61 -9.315 10.231 8.018 1.00 0.00 O ATOM 0 HA SER A 61 -7.093 8.884 5.915 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.145 8.550 8.232 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.265 10.044 7.981 1.00 0.00 H new ATOM 0 HG SER A 61 -9.611 10.748 7.240 1.00 0.00 H new ATOM 915 N PHE A 62 -8.536 6.907 5.537 1.00 0.00 N ATOM 916 CA PHE A 62 -9.360 5.757 5.183 1.00 0.00 C ATOM 917 C PHE A 62 -8.827 4.482 5.830 1.00 0.00 C ATOM 918 O PHE A 62 -7.678 4.430 6.268 1.00 0.00 O ATOM 919 CB PHE A 62 -9.409 5.588 3.663 1.00 0.00 C ATOM 920 CG PHE A 62 -9.719 6.860 2.926 1.00 0.00 C ATOM 921 CD1 PHE A 62 -8.781 7.877 2.850 1.00 0.00 C ATOM 922 CD2 PHE A 62 -10.947 7.037 2.309 1.00 0.00 C ATOM 923 CE1 PHE A 62 -9.063 9.049 2.172 1.00 0.00 C ATOM 924 CE2 PHE A 62 -11.235 8.206 1.631 1.00 0.00 C ATOM 925 CZ PHE A 62 -10.292 9.213 1.562 1.00 0.00 C ATOM 0 H PHE A 62 -7.533 6.722 5.541 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.368 5.937 5.556 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -8.450 5.202 3.318 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.162 4.840 3.413 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.819 7.753 3.325 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -11.687 6.252 2.359 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.324 9.835 2.119 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -12.196 8.332 1.155 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.515 10.127 1.032 1.00 0.00 H new ATOM 935 N ARG A 63 -9.670 3.456 5.883 1.00 0.00 N ATOM 936 CA ARG A 63 -9.286 2.179 6.473 1.00 0.00 C ATOM 937 C ARG A 63 -9.538 1.034 5.497 1.00 0.00 C ATOM 938 O ARG A 63 -10.670 0.808 5.070 1.00 0.00 O ATOM 939 CB ARG A 63 -10.062 1.939 7.770 1.00 0.00 C ATOM 940 CG ARG A 63 -9.689 0.643 8.471 1.00 0.00 C ATOM 941 CD ARG A 63 -10.844 0.107 9.300 1.00 0.00 C ATOM 942 NE ARG A 63 -10.388 -0.492 10.553 1.00 0.00 N ATOM 943 CZ ARG A 63 -9.867 -1.714 10.644 1.00 0.00 C ATOM 944 NH1 ARG A 63 -9.735 -2.469 9.561 1.00 0.00 N ATOM 945 NH2 ARG A 63 -9.479 -2.181 11.823 1.00 0.00 N ATOM 0 H ARG A 63 -10.624 3.484 5.524 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.220 2.215 6.697 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -9.886 2.773 8.449 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -11.129 1.928 7.548 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.395 -0.101 7.731 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.825 0.811 9.114 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.540 0.917 9.518 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.391 -0.637 8.721 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.474 0.058 11.408 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.033 -2.114 8.652 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.335 -3.404 9.637 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.580 -1.604 12.658 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -9.080 -3.117 11.895 1.00 0.00 H new ATOM 959 N VAL A 64 -8.476 0.317 5.147 1.00 0.00 N ATOM 960 CA VAL A 64 -8.582 -0.802 4.219 1.00 0.00 C ATOM 961 C VAL A 64 -8.469 -2.137 4.947 1.00 0.00 C ATOM 962 O VAL A 64 -7.752 -2.255 5.940 1.00 0.00 O ATOM 963 CB VAL A 64 -7.498 -0.733 3.128 1.00 0.00 C ATOM 964 CG1 VAL A 64 -7.723 0.471 2.226 1.00 0.00 C ATOM 965 CG2 VAL A 64 -6.112 -0.688 3.754 1.00 0.00 C ATOM 0 H VAL A 64 -7.532 0.491 5.492 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.564 -0.729 3.751 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.566 -1.633 2.517 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.947 0.503 1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.700 0.391 1.749 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.684 1.384 2.821 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.359 -0.639 2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.029 0.193 4.391 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.954 -1.585 4.353 1.00 0.00 H new ATOM 975 N LEU A 65 -9.182 -3.139 4.444 1.00 0.00 N ATOM 976 CA LEU A 65 -9.162 -4.469 5.041 1.00 0.00 C ATOM 977 C LEU A 65 -8.891 -5.534 3.983 1.00 0.00 C ATOM 978 O LEU A 65 -9.409 -5.461 2.869 1.00 0.00 O ATOM 979 CB LEU A 65 -10.492 -4.756 5.740 1.00 0.00 C ATOM 980 CG LEU A 65 -10.418 -5.770 6.883 1.00 0.00 C ATOM 981 CD1 LEU A 65 -10.062 -7.150 6.350 1.00 0.00 C ATOM 982 CD2 LEU A 65 -9.406 -5.323 7.927 1.00 0.00 C ATOM 0 H LEU A 65 -9.782 -3.055 3.623 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.358 -4.499 5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.889 -3.819 6.131 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.204 -5.119 4.998 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.398 -5.827 7.357 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.014 -7.858 7.177 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.823 -7.473 5.640 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.094 -7.109 5.851 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.366 -6.056 8.733 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.422 -5.237 7.466 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.703 -4.355 8.331 1.00 0.00 H new ATOM 994 N VAL A 66 -8.074 -6.521 4.336 1.00 0.00 N ATOM 995 CA VAL A 66 -7.735 -7.597 3.413 1.00 0.00 C ATOM 996 C VAL A 66 -7.697 -8.945 4.126 1.00 0.00 C ATOM 997 O VAL A 66 -7.301 -9.033 5.288 1.00 0.00 O ATOM 998 CB VAL A 66 -6.374 -7.350 2.735 1.00 0.00 C ATOM 999 CG1 VAL A 66 -6.152 -8.344 1.605 1.00 0.00 C ATOM 1000 CG2 VAL A 66 -6.284 -5.920 2.221 1.00 0.00 C ATOM 0 H VAL A 66 -7.635 -6.598 5.254 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.514 -7.614 2.651 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.588 -7.496 3.476 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.186 -8.154 1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.169 -9.358 2.004 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.942 -8.233 0.862 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.316 -5.765 1.745 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.077 -5.744 1.495 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.394 -5.226 3.054 1.00 0.00 H new ATOM 1010 N VAL A 67 -8.109 -9.992 3.420 1.00 0.00 N ATOM 1011 CA VAL A 67 -8.123 -11.337 3.982 1.00 0.00 C ATOM 1012 C VAL A 67 -7.906 -12.385 2.896 1.00 0.00 C ATOM 1013 O VAL A 67 -8.688 -12.483 1.949 1.00 0.00 O ATOM 1014 CB VAL A 67 -9.450 -11.631 4.706 1.00 0.00 C ATOM 1015 CG1 VAL A 67 -9.383 -12.968 5.429 1.00 0.00 C ATOM 1016 CG2 VAL A 67 -9.788 -10.509 5.677 1.00 0.00 C ATOM 0 H VAL A 67 -8.438 -9.935 2.456 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.307 -11.388 4.703 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.243 -11.688 3.960 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.330 -13.156 5.934 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.192 -13.763 4.708 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.579 -12.944 6.164 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.729 -10.734 6.180 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.994 -10.417 6.418 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.884 -9.571 5.130 1.00 0.00 H new ATOM 1026 N SER A 68 -6.840 -13.168 3.037 1.00 0.00 N ATOM 1027 CA SER A 68 -6.524 -14.208 2.065 1.00 0.00 C ATOM 1028 C SER A 68 -5.292 -15.000 2.495 1.00 0.00 C ATOM 1029 O SER A 68 -4.580 -14.606 3.418 1.00 0.00 O ATOM 1030 CB SER A 68 -6.291 -13.593 0.685 1.00 0.00 C ATOM 1031 OG SER A 68 -6.759 -14.451 -0.342 1.00 0.00 O ATOM 0 H SER A 68 -6.182 -13.102 3.814 1.00 0.00 H new ATOM 0 HA SER A 68 -7.373 -14.890 2.013 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.801 -12.632 0.621 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.228 -13.399 0.545 1.00 0.00 H new ATOM 0 HG SER A 68 -6.332 -14.209 -1.190 1.00 0.00 H new ATOM 1037 N ALA A 69 -5.049 -16.118 1.818 1.00 0.00 N ATOM 1038 CA ALA A 69 -3.905 -16.967 2.127 1.00 0.00 C ATOM 1039 C ALA A 69 -2.617 -16.403 1.532 1.00 0.00 C ATOM 1040 O ALA A 69 -1.519 -16.763 1.955 1.00 0.00 O ATOM 1041 CB ALA A 69 -4.147 -18.380 1.619 1.00 0.00 C ATOM 0 H ALA A 69 -5.630 -16.457 1.051 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.789 -16.993 3.210 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.285 -19.004 1.856 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.036 -18.791 2.097 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.293 -18.358 0.539 1.00 0.00 H new ATOM 1047 N LYS A 70 -2.755 -15.517 0.548 1.00 0.00 N ATOM 1048 CA LYS A 70 -1.598 -14.909 -0.100 1.00 0.00 C ATOM 1049 C LYS A 70 -0.687 -14.237 0.925 1.00 0.00 C ATOM 1050 O LYS A 70 0.532 -14.207 0.760 1.00 0.00 O ATOM 1051 CB LYS A 70 -2.052 -13.885 -1.142 1.00 0.00 C ATOM 1052 CG LYS A 70 -1.091 -13.739 -2.311 1.00 0.00 C ATOM 1053 CD LYS A 70 -0.262 -12.468 -2.198 1.00 0.00 C ATOM 1054 CE LYS A 70 -0.091 -11.793 -3.548 1.00 0.00 C ATOM 1055 NZ LYS A 70 1.107 -12.298 -4.274 1.00 0.00 N ATOM 0 H LYS A 70 -3.655 -15.205 0.183 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.035 -15.700 -0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.032 -14.175 -1.522 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.172 -12.916 -0.658 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.429 -14.604 -2.349 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.652 -13.726 -3.245 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.743 -11.779 -1.504 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.717 -12.707 -1.783 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.981 -11.963 -4.154 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.002 -10.716 -3.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.188 -11.812 -5.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.960 -12.113 -3.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.011 -13.321 -4.432 1.00 0.00 H new ATOM 1069 N PHE A 71 -1.288 -13.701 1.982 1.00 0.00 N ATOM 1070 CA PHE A 71 -0.531 -13.033 3.034 1.00 0.00 C ATOM 1071 C PHE A 71 0.185 -14.046 3.921 1.00 0.00 C ATOM 1072 O PHE A 71 1.251 -13.763 4.467 1.00 0.00 O ATOM 1073 CB PHE A 71 -1.458 -12.160 3.882 1.00 0.00 C ATOM 1074 CG PHE A 71 -1.591 -10.753 3.374 1.00 0.00 C ATOM 1075 CD1 PHE A 71 -0.473 -10.035 2.984 1.00 0.00 C ATOM 1076 CD2 PHE A 71 -2.836 -10.150 3.286 1.00 0.00 C ATOM 1077 CE1 PHE A 71 -0.593 -8.739 2.517 1.00 0.00 C ATOM 1078 CE2 PHE A 71 -2.962 -8.855 2.818 1.00 0.00 C ATOM 1079 CZ PHE A 71 -1.838 -8.149 2.433 1.00 0.00 C ATOM 0 H PHE A 71 -2.297 -13.716 2.133 1.00 0.00 H new ATOM 0 HA PHE A 71 0.220 -12.401 2.559 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.446 -12.620 3.916 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.083 -12.134 4.905 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.503 -10.492 3.045 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.717 -10.698 3.586 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.287 -8.189 2.218 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.937 -8.396 2.753 1.00 0.00 H new ATOM 0 HZ PHE A 71 -1.934 -7.137 2.067 1.00 0.00 H new ATOM 1089 N GLU A 72 -0.408 -15.228 4.063 1.00 0.00 N ATOM 1090 CA GLU A 72 0.173 -16.282 4.885 1.00 0.00 C ATOM 1091 C GLU A 72 1.568 -16.653 4.388 1.00 0.00 C ATOM 1092 O GLU A 72 2.451 -16.986 5.180 1.00 0.00 O ATOM 1093 CB GLU A 72 -0.732 -17.515 4.881 1.00 0.00 C ATOM 1094 CG GLU A 72 -1.495 -17.713 6.181 1.00 0.00 C ATOM 1095 CD GLU A 72 -0.667 -18.413 7.242 1.00 0.00 C ATOM 1096 OE1 GLU A 72 0.572 -18.266 7.219 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -1.260 -19.107 8.095 1.00 0.00 O ATOM 0 H GLU A 72 -1.291 -15.479 3.619 1.00 0.00 H new ATOM 0 HA GLU A 72 0.261 -15.909 5.905 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.444 -17.430 4.060 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.126 -18.400 4.687 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.819 -16.743 6.559 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.395 -18.296 5.985 1.00 0.00 H new ATOM 1104 N GLY A 73 1.759 -16.594 3.075 1.00 0.00 N ATOM 1105 CA GLY A 73 3.049 -16.926 2.499 1.00 0.00 C ATOM 1106 C GLY A 73 4.162 -16.037 3.017 1.00 0.00 C ATOM 1107 O GLY A 73 5.314 -16.459 3.103 1.00 0.00 O ATOM 0 H GLY A 73 1.045 -16.323 2.400 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.286 -17.966 2.722 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.993 -16.837 1.414 1.00 0.00 H new ATOM 1111 N LYS A 74 3.814 -14.801 3.365 1.00 0.00 N ATOM 1112 CA LYS A 74 4.791 -13.848 3.879 1.00 0.00 C ATOM 1113 C LYS A 74 4.542 -13.559 5.357 1.00 0.00 C ATOM 1114 O LYS A 74 3.417 -13.692 5.842 1.00 0.00 O ATOM 1115 CB LYS A 74 4.736 -12.547 3.076 1.00 0.00 C ATOM 1116 CG LYS A 74 4.668 -12.762 1.573 1.00 0.00 C ATOM 1117 CD LYS A 74 5.420 -11.677 0.820 1.00 0.00 C ATOM 1118 CE LYS A 74 5.402 -11.924 -0.680 1.00 0.00 C ATOM 1119 NZ LYS A 74 5.988 -10.785 -1.438 1.00 0.00 N ATOM 0 H LYS A 74 2.863 -14.437 3.300 1.00 0.00 H new ATOM 0 HA LYS A 74 5.783 -14.289 3.775 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.866 -11.971 3.392 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.616 -11.948 3.309 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.088 -13.737 1.325 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.626 -12.773 1.253 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.973 -10.707 1.035 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.451 -11.637 1.171 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.958 -12.834 -0.905 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.376 -12.089 -1.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.957 -10.993 -2.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.442 -9.921 -1.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.975 -10.644 -1.144 1.00 0.00 H new ATOM 1133 N PRO A 75 5.590 -13.157 6.097 1.00 0.00 N ATOM 1134 CA PRO A 75 5.477 -12.849 7.526 1.00 0.00 C ATOM 1135 C PRO A 75 4.591 -11.637 7.788 1.00 0.00 C ATOM 1136 O PRO A 75 4.146 -10.967 6.855 1.00 0.00 O ATOM 1137 CB PRO A 75 6.919 -12.560 7.951 1.00 0.00 C ATOM 1138 CG PRO A 75 7.621 -12.178 6.693 1.00 0.00 C ATOM 1139 CD PRO A 75 6.965 -12.973 5.599 1.00 0.00 C ATOM 0 HA PRO A 75 5.015 -13.666 8.080 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.961 -11.756 8.686 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.379 -13.436 8.410 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.532 -11.108 6.505 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.686 -12.404 6.756 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.981 -12.440 4.648 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.466 -13.927 5.438 1.00 0.00 H new ATOM 1147 N LEU A 76 4.337 -11.360 9.063 1.00 0.00 N ATOM 1148 CA LEU A 76 3.503 -10.227 9.449 1.00 0.00 C ATOM 1149 C LEU A 76 4.096 -8.915 8.946 1.00 0.00 C ATOM 1150 O LEU A 76 3.388 -8.075 8.392 1.00 0.00 O ATOM 1151 CB LEU A 76 3.345 -10.179 10.970 1.00 0.00 C ATOM 1152 CG LEU A 76 2.250 -9.238 11.477 1.00 0.00 C ATOM 1153 CD1 LEU A 76 0.912 -9.958 11.534 1.00 0.00 C ATOM 1154 CD2 LEU A 76 2.617 -8.684 12.845 1.00 0.00 C ATOM 0 H LEU A 76 4.697 -11.905 9.847 1.00 0.00 H new ATOM 0 HA LEU A 76 2.522 -10.359 8.992 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.133 -11.186 11.330 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.295 -9.876 11.410 1.00 0.00 H new ATOM 0 HG LEU A 76 2.161 -8.405 10.780 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.145 -9.273 11.897 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.644 -10.307 10.537 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.986 -10.810 12.209 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.828 -8.017 13.191 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.733 -9.506 13.551 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.554 -8.132 12.774 1.00 0.00 H new ATOM 1166 N LEU A 77 5.399 -8.744 9.144 1.00 0.00 N ATOM 1167 CA LEU A 77 6.086 -7.533 8.712 1.00 0.00 C ATOM 1168 C LEU A 77 5.958 -7.341 7.204 1.00 0.00 C ATOM 1169 O LEU A 77 5.902 -6.213 6.714 1.00 0.00 O ATOM 1170 CB LEU A 77 7.562 -7.587 9.108 1.00 0.00 C ATOM 1171 CG LEU A 77 8.355 -8.749 8.502 1.00 0.00 C ATOM 1172 CD1 LEU A 77 9.684 -8.261 7.947 1.00 0.00 C ATOM 1173 CD2 LEU A 77 8.578 -9.841 9.539 1.00 0.00 C ATOM 0 H LEU A 77 6.000 -9.429 9.601 1.00 0.00 H new ATOM 0 HA LEU A 77 5.616 -6.684 9.209 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.036 -6.651 8.813 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.629 -7.649 10.194 1.00 0.00 H new ATOM 0 HG LEU A 77 7.774 -9.167 7.680 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.231 -9.102 7.521 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.503 -7.516 7.172 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.271 -7.815 8.749 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.143 -10.658 9.091 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.136 -9.434 10.382 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.615 -10.214 9.888 1.00 0.00 H new ATOM 1185 N GLN A 78 5.911 -8.450 6.472 1.00 0.00 N ATOM 1186 CA GLN A 78 5.789 -8.402 5.020 1.00 0.00 C ATOM 1187 C GLN A 78 4.368 -8.034 4.604 1.00 0.00 C ATOM 1188 O GLN A 78 4.158 -7.392 3.576 1.00 0.00 O ATOM 1189 CB GLN A 78 6.183 -9.750 4.410 1.00 0.00 C ATOM 1190 CG GLN A 78 7.577 -9.761 3.805 1.00 0.00 C ATOM 1191 CD GLN A 78 8.640 -9.294 4.780 1.00 0.00 C ATOM 1192 OE1 GLN A 78 9.224 -10.095 5.509 1.00 0.00 O ATOM 1193 NE2 GLN A 78 8.897 -7.991 4.796 1.00 0.00 N ATOM 0 H GLN A 78 5.956 -9.392 6.861 1.00 0.00 H new ATOM 0 HA GLN A 78 6.465 -7.632 4.648 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.125 -10.519 5.181 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.460 -10.016 3.639 1.00 0.00 H new ATOM 0 HG2 GLN A 78 7.815 -10.770 3.469 1.00 0.00 H new ATOM 0 HG3 GLN A 78 7.591 -9.120 2.923 1.00 0.00 H new ATOM 0 HE21 GLN A 78 8.388 -7.363 4.174 1.00 0.00 H new ATOM 0 HE22 GLN A 78 9.603 -7.618 5.431 1.00 0.00 H new ATOM 1202 N ARG A 79 3.395 -8.447 5.411 1.00 0.00 N ATOM 1203 CA ARG A 79 1.993 -8.161 5.126 1.00 0.00 C ATOM 1204 C ARG A 79 1.746 -6.658 5.061 1.00 0.00 C ATOM 1205 O ARG A 79 1.306 -6.135 4.036 1.00 0.00 O ATOM 1206 CB ARG A 79 1.097 -8.791 6.193 1.00 0.00 C ATOM 1207 CG ARG A 79 1.034 -10.308 6.117 1.00 0.00 C ATOM 1208 CD ARG A 79 0.258 -10.893 7.287 1.00 0.00 C ATOM 1209 NE ARG A 79 0.854 -12.134 7.774 1.00 0.00 N ATOM 1210 CZ ARG A 79 0.338 -12.869 8.756 1.00 0.00 C ATOM 1211 NH1 ARG A 79 -0.783 -12.491 9.358 1.00 0.00 N ATOM 1212 NH2 ARG A 79 0.944 -13.984 9.139 1.00 0.00 N ATOM 0 H ARG A 79 3.552 -8.980 6.266 1.00 0.00 H new ATOM 0 HA ARG A 79 1.750 -8.592 4.155 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.460 -8.500 7.179 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.089 -8.388 6.093 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.563 -10.607 5.181 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.045 -10.715 6.110 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.222 -10.166 8.098 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.771 -11.081 6.981 1.00 0.00 H new ATOM 0 HE ARG A 79 1.717 -12.456 7.336 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.253 -11.633 9.068 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.174 -13.058 10.110 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.806 -14.279 8.681 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.548 -14.547 9.892 1.00 0.00 H new ATOM 1226 N HIS A 80 2.033 -5.967 6.159 1.00 0.00 N ATOM 1227 CA HIS A 80 1.841 -4.522 6.226 1.00 0.00 C ATOM 1228 C HIS A 80 2.687 -3.812 5.174 1.00 0.00 C ATOM 1229 O HIS A 80 2.304 -2.760 4.663 1.00 0.00 O ATOM 1230 CB HIS A 80 2.198 -4.004 7.620 1.00 0.00 C ATOM 1231 CG HIS A 80 1.338 -4.571 8.707 1.00 0.00 C ATOM 1232 ND1 HIS A 80 1.610 -4.403 10.048 1.00 0.00 N ATOM 1233 CD2 HIS A 80 0.203 -5.309 8.645 1.00 0.00 C ATOM 1234 CE1 HIS A 80 0.682 -5.011 10.764 1.00 0.00 C ATOM 1235 NE2 HIS A 80 -0.183 -5.569 9.937 1.00 0.00 N ATOM 0 H HIS A 80 2.399 -6.384 7.015 1.00 0.00 H new ATOM 0 HA HIS A 80 0.791 -4.310 6.025 1.00 0.00 H new ATOM 0 HB2 HIS A 80 3.241 -4.242 7.831 1.00 0.00 H new ATOM 0 HB3 HIS A 80 2.111 -2.918 7.628 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.303 -5.632 7.747 1.00 0.00 H new ATOM 0 HE1 HIS A 80 0.638 -5.046 11.843 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -1.005 -6.106 10.213 1.00 0.00 H new ATOM 1244 N ARG A 81 3.839 -4.393 4.856 1.00 0.00 N ATOM 1245 CA ARG A 81 4.740 -3.815 3.866 1.00 0.00 C ATOM 1246 C ARG A 81 4.130 -3.888 2.469 1.00 0.00 C ATOM 1247 O ARG A 81 4.309 -2.983 1.655 1.00 0.00 O ATOM 1248 CB ARG A 81 6.089 -4.538 3.890 1.00 0.00 C ATOM 1249 CG ARG A 81 7.272 -3.610 4.102 1.00 0.00 C ATOM 1250 CD ARG A 81 8.594 -4.356 4.002 1.00 0.00 C ATOM 1251 NE ARG A 81 9.536 -3.945 5.041 1.00 0.00 N ATOM 1252 CZ ARG A 81 10.075 -2.730 5.113 1.00 0.00 C ATOM 1253 NH1 ARG A 81 9.771 -1.807 4.210 1.00 0.00 N ATOM 1254 NH2 ARG A 81 10.924 -2.438 6.090 1.00 0.00 N ATOM 0 H ARG A 81 4.171 -5.264 5.270 1.00 0.00 H new ATOM 0 HA ARG A 81 4.896 -2.766 4.119 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.077 -5.285 4.683 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.222 -5.073 2.950 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.247 -2.812 3.360 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.193 -3.137 5.081 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.412 -5.428 4.081 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.036 -4.179 3.022 1.00 0.00 H new ATOM 0 HE ARG A 81 9.795 -4.629 5.752 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.121 -2.027 3.455 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.187 -0.878 4.270 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.164 -3.144 6.786 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.337 -1.507 6.145 1.00 0.00 H new ATOM 1268 N LEU A 82 3.410 -4.972 2.199 1.00 0.00 N ATOM 1269 CA LEU A 82 2.775 -5.164 0.901 1.00 0.00 C ATOM 1270 C LEU A 82 1.700 -4.107 0.660 1.00 0.00 C ATOM 1271 O LEU A 82 1.667 -3.471 -0.393 1.00 0.00 O ATOM 1272 CB LEU A 82 2.161 -6.563 0.812 1.00 0.00 C ATOM 1273 CG LEU A 82 3.091 -7.643 0.258 1.00 0.00 C ATOM 1274 CD1 LEU A 82 2.421 -9.006 0.317 1.00 0.00 C ATOM 1275 CD2 LEU A 82 3.504 -7.310 -1.168 1.00 0.00 C ATOM 0 H LEU A 82 3.252 -5.731 2.862 1.00 0.00 H new ATOM 0 HA LEU A 82 3.540 -5.061 0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.832 -6.863 1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.271 -6.514 0.184 1.00 0.00 H new ATOM 0 HG LEU A 82 3.988 -7.676 0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.098 -9.762 -0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.177 -9.247 1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.507 -8.988 -0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.166 -8.089 -1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.617 -7.249 -1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.025 -6.353 -1.182 1.00 0.00 H new ATOM 1287 N VAL A 83 0.824 -3.928 1.643 1.00 0.00 N ATOM 1288 CA VAL A 83 -0.252 -2.949 1.537 1.00 0.00 C ATOM 1289 C VAL A 83 0.302 -1.542 1.337 1.00 0.00 C ATOM 1290 O VAL A 83 -0.215 -0.769 0.531 1.00 0.00 O ATOM 1291 CB VAL A 83 -1.148 -2.961 2.790 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -2.374 -2.088 2.579 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -1.553 -4.385 3.144 1.00 0.00 C ATOM 0 H VAL A 83 0.838 -4.447 2.521 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.849 -3.229 0.669 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.579 -2.551 3.624 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.994 -2.109 3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.061 -1.063 2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.947 -2.464 1.732 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.186 -4.373 4.032 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.103 -4.824 2.312 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.660 -4.978 3.342 1.00 0.00 H new ATOM 1303 N ASN A 84 1.358 -1.217 2.077 1.00 0.00 N ATOM 1304 CA ASN A 84 1.982 0.097 1.980 1.00 0.00 C ATOM 1305 C ASN A 84 2.582 0.313 0.595 1.00 0.00 C ATOM 1306 O ASN A 84 2.437 1.384 0.006 1.00 0.00 O ATOM 1307 CB ASN A 84 3.067 0.249 3.049 1.00 0.00 C ATOM 1308 CG ASN A 84 2.499 0.233 4.455 1.00 0.00 C ATOM 1309 OD1 ASN A 84 1.295 0.391 4.652 1.00 0.00 O ATOM 1310 ND2 ASN A 84 3.368 0.044 5.441 1.00 0.00 N ATOM 0 H ASN A 84 1.798 -1.845 2.749 1.00 0.00 H new ATOM 0 HA ASN A 84 1.212 0.851 2.144 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.792 -0.558 2.944 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.604 1.184 2.888 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.045 0.026 6.408 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.358 -0.083 5.231 1.00 0.00 H new ATOM 1317 N GLU A 85 3.258 -0.710 0.082 1.00 0.00 N ATOM 1318 CA GLU A 85 3.880 -0.631 -1.235 1.00 0.00 C ATOM 1319 C GLU A 85 2.833 -0.392 -2.317 1.00 0.00 C ATOM 1320 O GLU A 85 3.093 0.293 -3.306 1.00 0.00 O ATOM 1321 CB GLU A 85 4.655 -1.916 -1.533 1.00 0.00 C ATOM 1322 CG GLU A 85 5.979 -2.012 -0.791 1.00 0.00 C ATOM 1323 CD GLU A 85 7.097 -2.550 -1.662 1.00 0.00 C ATOM 1324 OE1 GLU A 85 6.843 -3.495 -2.440 1.00 0.00 O ATOM 1325 OE2 GLU A 85 8.227 -2.027 -1.569 1.00 0.00 O ATOM 0 H GLU A 85 3.389 -1.603 0.558 1.00 0.00 H new ATOM 0 HA GLU A 85 4.573 0.211 -1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.036 -2.774 -1.268 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.843 -1.977 -2.605 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.256 -1.025 -0.419 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.858 -2.658 0.079 1.00 0.00 H new ATOM 1332 N CYS A 86 1.648 -0.963 -2.124 1.00 0.00 N ATOM 1333 CA CYS A 86 0.561 -0.812 -3.085 1.00 0.00 C ATOM 1334 C CYS A 86 0.184 0.657 -3.254 1.00 0.00 C ATOM 1335 O CYS A 86 0.268 1.206 -4.352 1.00 0.00 O ATOM 1336 CB CYS A 86 -0.660 -1.615 -2.634 1.00 0.00 C ATOM 1337 SG CYS A 86 -0.726 -3.295 -3.302 1.00 0.00 S ATOM 0 H CYS A 86 1.416 -1.534 -1.311 1.00 0.00 H new ATOM 0 HA CYS A 86 0.904 -1.193 -4.047 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -0.665 -1.668 -1.545 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -1.563 -1.081 -2.931 1.00 0.00 H new ATOM 0 HG CYS A 86 -1.514 -4.023 -2.568 1.00 0.00 H new ATOM 1343 N LEU A 87 -0.228 1.285 -2.159 1.00 0.00 N ATOM 1344 CA LEU A 87 -0.618 2.691 -2.185 1.00 0.00 C ATOM 1345 C LEU A 87 0.506 3.575 -1.653 1.00 0.00 C ATOM 1346 O LEU A 87 0.257 4.573 -0.976 1.00 0.00 O ATOM 1347 CB LEU A 87 -1.888 2.906 -1.359 1.00 0.00 C ATOM 1348 CG LEU A 87 -2.937 1.801 -1.485 1.00 0.00 C ATOM 1349 CD1 LEU A 87 -3.933 1.878 -0.337 1.00 0.00 C ATOM 1350 CD2 LEU A 87 -3.654 1.897 -2.823 1.00 0.00 C ATOM 0 H LEU A 87 -0.301 0.844 -1.242 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.817 2.969 -3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.609 3.003 -0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.341 3.852 -1.657 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.430 0.837 -1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.672 1.084 -0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.407 1.760 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.435 2.846 -0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.397 1.103 -2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.149 2.865 -2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.931 1.792 -3.632 1.00 0.00 H new ATOM 1362 N ALA A 88 1.743 3.200 -1.961 1.00 0.00 N ATOM 1363 CA ALA A 88 2.906 3.956 -1.513 1.00 0.00 C ATOM 1364 C ALA A 88 2.904 5.365 -2.095 1.00 0.00 C ATOM 1365 O ALA A 88 3.392 6.305 -1.471 1.00 0.00 O ATOM 1366 CB ALA A 88 4.186 3.229 -1.893 1.00 0.00 C ATOM 0 H ALA A 88 1.966 2.376 -2.520 1.00 0.00 H new ATOM 0 HA ALA A 88 2.857 4.040 -0.427 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.046 3.805 -1.552 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.199 2.245 -1.424 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.232 3.115 -2.976 1.00 0.00 H new ATOM 1372 N GLU A 89 2.356 5.504 -3.298 1.00 0.00 N ATOM 1373 CA GLU A 89 2.293 6.800 -3.965 1.00 0.00 C ATOM 1374 C GLU A 89 1.210 7.684 -3.351 1.00 0.00 C ATOM 1375 O GLU A 89 1.450 8.850 -3.040 1.00 0.00 O ATOM 1376 CB GLU A 89 2.025 6.613 -5.460 1.00 0.00 C ATOM 1377 CG GLU A 89 3.043 5.724 -6.154 1.00 0.00 C ATOM 1378 CD GLU A 89 2.968 5.819 -7.665 1.00 0.00 C ATOM 1379 OE1 GLU A 89 2.028 5.243 -8.249 1.00 0.00 O ATOM 1380 OE2 GLU A 89 3.849 6.470 -8.264 1.00 0.00 O ATOM 0 H GLU A 89 1.949 4.735 -3.831 1.00 0.00 H new ATOM 0 HA GLU A 89 3.255 7.294 -3.830 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.031 6.185 -5.592 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.018 7.590 -5.944 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.045 6.001 -5.826 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.883 4.689 -5.851 1.00 0.00 H new ATOM 1387 N GLU A 90 0.017 7.122 -3.189 1.00 0.00 N ATOM 1388 CA GLU A 90 -1.110 7.856 -2.621 1.00 0.00 C ATOM 1389 C GLU A 90 -0.972 8.017 -1.109 1.00 0.00 C ATOM 1390 O GLU A 90 -1.462 8.989 -0.534 1.00 0.00 O ATOM 1391 CB GLU A 90 -2.424 7.144 -2.949 1.00 0.00 C ATOM 1392 CG GLU A 90 -2.601 6.847 -4.429 1.00 0.00 C ATOM 1393 CD GLU A 90 -2.199 5.431 -4.792 1.00 0.00 C ATOM 1394 OE1 GLU A 90 -2.273 4.549 -3.911 1.00 0.00 O ATOM 1395 OE2 GLU A 90 -1.812 5.204 -5.957 1.00 0.00 O ATOM 0 H GLU A 90 -0.196 6.157 -3.444 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.114 8.851 -3.067 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -2.470 6.209 -2.391 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -3.256 7.760 -2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.643 7.007 -4.706 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.005 7.550 -5.011 1.00 0.00 H new ATOM 1402 N LEU A 91 -0.316 7.053 -0.467 1.00 0.00 N ATOM 1403 CA LEU A 91 -0.128 7.080 0.984 1.00 0.00 C ATOM 1404 C LEU A 91 0.304 8.466 1.472 1.00 0.00 C ATOM 1405 O LEU A 91 -0.368 9.072 2.307 1.00 0.00 O ATOM 1406 CB LEU A 91 0.902 6.029 1.407 1.00 0.00 C ATOM 1407 CG LEU A 91 0.312 4.735 1.971 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.420 3.812 2.456 1.00 0.00 C ATOM 1409 CD2 LEU A 91 -0.663 5.040 3.098 1.00 0.00 C ATOM 0 H LEU A 91 0.095 6.242 -0.928 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.088 6.848 1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.522 5.782 0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.559 6.468 2.157 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.233 4.228 1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.983 2.896 2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.080 3.567 1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.992 4.310 3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.073 4.108 3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.142 5.569 3.896 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.474 5.662 2.719 1.00 0.00 H new ATOM 1421 N PRO A 92 1.432 8.987 0.959 1.00 0.00 N ATOM 1422 CA PRO A 92 1.944 10.304 1.350 1.00 0.00 C ATOM 1423 C PRO A 92 0.849 11.366 1.398 1.00 0.00 C ATOM 1424 O PRO A 92 0.883 12.268 2.235 1.00 0.00 O ATOM 1425 CB PRO A 92 2.951 10.625 0.248 1.00 0.00 C ATOM 1426 CG PRO A 92 3.447 9.295 -0.207 1.00 0.00 C ATOM 1427 CD PRO A 92 2.300 8.332 -0.039 1.00 0.00 C ATOM 0 HA PRO A 92 2.371 10.296 2.353 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.483 11.174 -0.569 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.765 11.245 0.623 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.770 9.336 -1.247 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.308 8.980 0.382 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.774 8.168 -0.980 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.644 7.358 0.308 1.00 0.00 H new ATOM 1435 N HIS A 93 -0.119 11.252 0.496 1.00 0.00 N ATOM 1436 CA HIS A 93 -1.225 12.202 0.435 1.00 0.00 C ATOM 1437 C HIS A 93 -2.215 11.960 1.571 1.00 0.00 C ATOM 1438 O HIS A 93 -2.863 12.889 2.051 1.00 0.00 O ATOM 1439 CB HIS A 93 -1.941 12.100 -0.912 1.00 0.00 C ATOM 1440 CG HIS A 93 -1.048 12.362 -2.086 1.00 0.00 C ATOM 1441 ND1 HIS A 93 -1.165 13.479 -2.886 1.00 0.00 N ATOM 1442 CD2 HIS A 93 -0.018 11.644 -2.593 1.00 0.00 C ATOM 1443 CE1 HIS A 93 -0.246 13.437 -3.834 1.00 0.00 C ATOM 1444 NE2 HIS A 93 0.462 12.334 -3.679 1.00 0.00 N ATOM 0 H HIS A 93 -0.161 10.511 -0.204 1.00 0.00 H new ATOM 0 HA HIS A 93 -0.814 13.206 0.544 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -2.373 11.104 -1.010 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -2.768 12.810 -0.929 1.00 0.00 H new ATOM 0 HD2 HIS A 93 0.356 10.704 -2.214 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -0.099 14.179 -4.605 1.00 0.00 H new ATOM 0 HE2 HIS A 93 1.240 12.041 -4.270 1.00 0.00 H new ATOM 1453 N ILE A 94 -2.324 10.705 1.995 1.00 0.00 N ATOM 1454 CA ILE A 94 -3.235 10.340 3.074 1.00 0.00 C ATOM 1455 C ILE A 94 -2.681 10.771 4.428 1.00 0.00 C ATOM 1456 O ILE A 94 -1.534 10.476 4.763 1.00 0.00 O ATOM 1457 CB ILE A 94 -3.496 8.821 3.103 1.00 0.00 C ATOM 1458 CG1 ILE A 94 -3.819 8.305 1.699 1.00 0.00 C ATOM 1459 CG2 ILE A 94 -4.629 8.495 4.067 1.00 0.00 C ATOM 1460 CD1 ILE A 94 -5.092 8.884 1.122 1.00 0.00 C ATOM 0 H ILE A 94 -1.793 9.924 1.608 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.174 10.859 2.883 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.592 8.322 3.452 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.988 8.540 1.034 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.905 7.219 1.730 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.801 7.419 4.076 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.361 8.828 5.070 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.538 9.005 3.746 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.259 8.475 0.126 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.933 8.627 1.766 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.002 9.968 1.058 1.00 0.00 H new ATOM 1472 N HIS A 95 -3.505 11.468 5.204 1.00 0.00 N ATOM 1473 CA HIS A 95 -3.096 11.937 6.523 1.00 0.00 C ATOM 1474 C HIS A 95 -3.060 10.783 7.519 1.00 0.00 C ATOM 1475 O HIS A 95 -2.225 10.754 8.424 1.00 0.00 O ATOM 1476 CB HIS A 95 -4.049 13.026 7.019 1.00 0.00 C ATOM 1477 CG HIS A 95 -3.556 13.743 8.238 1.00 0.00 C ATOM 1478 ND1 HIS A 95 -3.597 13.196 9.502 1.00 0.00 N ATOM 1479 CD2 HIS A 95 -3.007 14.974 8.379 1.00 0.00 C ATOM 1480 CE1 HIS A 95 -3.096 14.058 10.370 1.00 0.00 C ATOM 1481 NE2 HIS A 95 -2.730 15.143 9.714 1.00 0.00 N ATOM 0 H HIS A 95 -4.458 11.720 4.943 1.00 0.00 H new ATOM 0 HA HIS A 95 -2.093 12.355 6.440 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -4.207 13.751 6.220 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.018 12.577 7.238 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -2.822 15.688 7.590 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -3.002 13.901 11.434 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -2.309 15.973 10.131 1.00 0.00 H new ATOM 1490 N ALA A 96 -3.972 9.832 7.345 1.00 0.00 N ATOM 1491 CA ALA A 96 -4.047 8.672 8.225 1.00 0.00 C ATOM 1492 C ALA A 96 -4.617 7.464 7.489 1.00 0.00 C ATOM 1493 O ALA A 96 -5.765 7.480 7.046 1.00 0.00 O ATOM 1494 CB ALA A 96 -4.890 8.992 9.451 1.00 0.00 C ATOM 0 H ALA A 96 -4.670 9.842 6.601 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.036 8.425 8.549 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.937 8.117 10.099 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.440 9.822 9.995 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.897 9.266 9.138 1.00 0.00 H new ATOM 1500 N PHE A 97 -3.806 6.419 7.361 1.00 0.00 N ATOM 1501 CA PHE A 97 -4.229 5.203 6.676 1.00 0.00 C ATOM 1502 C PHE A 97 -4.089 3.988 7.588 1.00 0.00 C ATOM 1503 O PHE A 97 -3.004 3.704 8.098 1.00 0.00 O ATOM 1504 CB PHE A 97 -3.406 4.998 5.403 1.00 0.00 C ATOM 1505 CG PHE A 97 -3.942 3.917 4.508 1.00 0.00 C ATOM 1506 CD1 PHE A 97 -4.947 4.190 3.595 1.00 0.00 C ATOM 1507 CD2 PHE A 97 -3.439 2.628 4.580 1.00 0.00 C ATOM 1508 CE1 PHE A 97 -5.441 3.197 2.770 1.00 0.00 C ATOM 1509 CE2 PHE A 97 -3.928 1.631 3.757 1.00 0.00 C ATOM 1510 CZ PHE A 97 -4.931 1.917 2.851 1.00 0.00 C ATOM 0 H PHE A 97 -2.853 6.390 7.722 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.280 5.313 6.407 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.373 5.935 4.847 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.380 4.754 5.679 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.349 5.190 3.527 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.656 2.400 5.288 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.225 3.423 2.063 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.527 0.630 3.822 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.316 1.140 2.207 1.00 0.00 H new ATOM 1520 N GLU A 98 -5.192 3.274 7.788 1.00 0.00 N ATOM 1521 CA GLU A 98 -5.193 2.089 8.638 1.00 0.00 C ATOM 1522 C GLU A 98 -5.483 0.835 7.820 1.00 0.00 C ATOM 1523 O GLU A 98 -6.526 0.731 7.175 1.00 0.00 O ATOM 1524 CB GLU A 98 -6.229 2.236 9.754 1.00 0.00 C ATOM 1525 CG GLU A 98 -5.957 1.347 10.957 1.00 0.00 C ATOM 1526 CD GLU A 98 -7.219 0.718 11.513 1.00 0.00 C ATOM 1527 OE1 GLU A 98 -7.939 1.403 12.271 1.00 0.00 O ATOM 1528 OE2 GLU A 98 -7.488 -0.458 11.192 1.00 0.00 O ATOM 0 H GLU A 98 -6.097 3.496 7.373 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.203 1.990 9.083 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.255 3.276 10.080 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.216 2.002 9.355 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -5.258 0.560 10.672 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.474 1.935 11.737 1.00 0.00 H new ATOM 1535 N GLN A 99 -4.556 -0.116 7.854 1.00 0.00 N ATOM 1536 CA GLN A 99 -4.713 -1.364 7.115 1.00 0.00 C ATOM 1537 C GLN A 99 -4.513 -2.567 8.030 1.00 0.00 C ATOM 1538 O GLN A 99 -3.667 -2.546 8.924 1.00 0.00 O ATOM 1539 CB GLN A 99 -3.720 -1.422 5.953 1.00 0.00 C ATOM 1540 CG GLN A 99 -2.301 -1.045 6.347 1.00 0.00 C ATOM 1541 CD GLN A 99 -1.288 -2.109 5.969 1.00 0.00 C ATOM 1542 OE1 GLN A 99 -1.633 -3.279 5.797 1.00 0.00 O ATOM 1543 NE2 GLN A 99 -0.029 -1.707 5.837 1.00 0.00 N ATOM 0 H GLN A 99 -3.688 -0.047 8.385 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.728 -1.397 6.718 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.717 -2.430 5.538 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -4.059 -0.753 5.162 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.032 -0.105 5.865 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -2.260 -0.875 7.423 1.00 0.00 H new ATOM 0 HE21 GLN A 99 0.212 -0.728 5.989 1.00 0.00 H new ATOM 0 HE22 GLN A 99 0.697 -2.378 5.584 1.00 0.00 H new ATOM 1552 N LYS A 100 -5.296 -3.616 7.800 1.00 0.00 N ATOM 1553 CA LYS A 100 -5.204 -4.829 8.602 1.00 0.00 C ATOM 1554 C LYS A 100 -5.287 -6.072 7.723 1.00 0.00 C ATOM 1555 O LYS A 100 -6.207 -6.213 6.916 1.00 0.00 O ATOM 1556 CB LYS A 100 -6.318 -4.858 9.651 1.00 0.00 C ATOM 1557 CG LYS A 100 -6.080 -5.866 10.763 1.00 0.00 C ATOM 1558 CD LYS A 100 -7.238 -5.893 11.748 1.00 0.00 C ATOM 1559 CE LYS A 100 -7.432 -7.279 12.341 1.00 0.00 C ATOM 1560 NZ LYS A 100 -6.337 -7.639 13.284 1.00 0.00 N ATOM 0 H LYS A 100 -6.002 -3.650 7.064 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.238 -4.827 9.107 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.420 -3.865 10.088 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.263 -5.088 9.159 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.944 -6.858 10.333 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.159 -5.617 11.290 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.053 -5.176 12.548 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.153 -5.580 11.245 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.388 -7.320 12.863 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.476 -8.014 11.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.507 -8.591 13.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.427 -7.625 12.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.311 -6.952 14.065 1.00 0.00 H new ATOM 1574 N THR A 101 -4.321 -6.971 7.882 1.00 0.00 N ATOM 1575 CA THR A 101 -4.284 -8.202 7.100 1.00 0.00 C ATOM 1576 C THR A 101 -4.402 -9.424 8.005 1.00 0.00 C ATOM 1577 O THR A 101 -3.774 -9.491 9.061 1.00 0.00 O ATOM 1578 CB THR A 101 -2.990 -8.277 6.290 1.00 0.00 C ATOM 1579 OG1 THR A 101 -1.883 -8.532 7.136 1.00 0.00 O ATOM 1580 CG2 THR A 101 -2.694 -7.010 5.516 1.00 0.00 C ATOM 0 H THR A 101 -3.553 -6.870 8.546 1.00 0.00 H new ATOM 0 HA THR A 101 -5.133 -8.195 6.416 1.00 0.00 H new ATOM 0 HB THR A 101 -3.140 -9.090 5.580 1.00 0.00 H new ATOM 0 HG1 THR A 101 -1.407 -7.694 7.314 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.762 -7.131 4.963 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.507 -6.812 4.818 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.599 -6.174 6.209 1.00 0.00 H new ATOM 1588 N LEU A 102 -5.212 -10.390 7.583 1.00 0.00 N ATOM 1589 CA LEU A 102 -5.413 -11.611 8.354 1.00 0.00 C ATOM 1590 C LEU A 102 -5.621 -12.809 7.431 1.00 0.00 C ATOM 1591 O LEU A 102 -5.639 -12.667 6.209 1.00 0.00 O ATOM 1592 CB LEU A 102 -6.613 -11.457 9.292 1.00 0.00 C ATOM 1593 CG LEU A 102 -6.261 -11.220 10.762 1.00 0.00 C ATOM 1594 CD1 LEU A 102 -7.524 -11.019 11.586 1.00 0.00 C ATOM 1595 CD2 LEU A 102 -5.446 -12.383 11.308 1.00 0.00 C ATOM 0 H LEU A 102 -5.740 -10.350 6.711 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.517 -11.786 8.950 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.224 -10.625 8.942 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.227 -12.355 9.222 1.00 0.00 H new ATOM 0 HG LEU A 102 -5.658 -10.315 10.831 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.255 -10.852 12.629 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.071 -10.155 11.209 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.152 -11.906 11.511 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.204 -12.198 12.355 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.025 -13.303 11.226 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.524 -12.482 10.735 1.00 0.00 H new ATOM 1607 N THR A 103 -5.779 -13.986 8.026 1.00 0.00 N ATOM 1608 CA THR A 103 -5.988 -15.209 7.260 1.00 0.00 C ATOM 1609 C THR A 103 -7.478 -15.487 7.079 1.00 0.00 C ATOM 1610 O THR A 103 -8.303 -15.034 7.872 1.00 0.00 O ATOM 1611 CB THR A 103 -5.317 -16.392 7.958 1.00 0.00 C ATOM 1612 OG1 THR A 103 -5.749 -16.493 9.303 1.00 0.00 O ATOM 1613 CG2 THR A 103 -3.806 -16.303 7.965 1.00 0.00 C ATOM 0 H THR A 103 -5.766 -14.119 9.037 1.00 0.00 H new ATOM 0 HA THR A 103 -5.539 -15.075 6.276 1.00 0.00 H new ATOM 0 HB THR A 103 -5.610 -17.271 7.384 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.399 -15.735 9.817 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.393 -17.173 8.475 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.438 -16.275 6.939 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.497 -15.396 8.486 1.00 0.00 H new ATOM 1621 N PRO A 104 -7.844 -16.241 6.028 1.00 0.00 N ATOM 1622 CA PRO A 104 -9.243 -16.580 5.748 1.00 0.00 C ATOM 1623 C PRO A 104 -9.840 -17.494 6.812 1.00 0.00 C ATOM 1624 O PRO A 104 -11.015 -17.374 7.160 1.00 0.00 O ATOM 1625 CB PRO A 104 -9.177 -17.300 4.398 1.00 0.00 C ATOM 1626 CG PRO A 104 -7.785 -17.823 4.313 1.00 0.00 C ATOM 1627 CD PRO A 104 -6.924 -16.824 5.034 1.00 0.00 C ATOM 0 HA PRO A 104 -9.881 -15.696 5.740 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -9.907 -18.108 4.344 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -9.394 -16.619 3.575 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -7.709 -18.808 4.773 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -7.471 -17.931 3.275 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.067 -17.300 5.510 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -6.532 -16.066 4.355 1.00 0.00 H new ATOM 1635 N GLU A 105 -9.022 -18.408 7.326 1.00 0.00 N ATOM 1636 CA GLU A 105 -9.470 -19.342 8.352 1.00 0.00 C ATOM 1637 C GLU A 105 -9.717 -18.621 9.673 1.00 0.00 C ATOM 1638 O GLU A 105 -10.606 -18.996 10.439 1.00 0.00 O ATOM 1639 CB GLU A 105 -8.435 -20.451 8.548 1.00 0.00 C ATOM 1640 CG GLU A 105 -8.960 -21.642 9.333 1.00 0.00 C ATOM 1641 CD GLU A 105 -9.791 -22.581 8.481 1.00 0.00 C ATOM 1642 OE1 GLU A 105 -9.268 -23.078 7.462 1.00 0.00 O ATOM 1643 OE2 GLU A 105 -10.967 -22.818 8.832 1.00 0.00 O ATOM 0 H GLU A 105 -8.047 -18.521 7.049 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.409 -19.785 8.020 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.092 -20.793 7.572 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.568 -20.040 9.065 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -8.120 -22.191 9.759 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.563 -21.285 10.168 1.00 0.00 H new ATOM 1650 N GLN A 106 -8.924 -17.587 9.934 1.00 0.00 N ATOM 1651 CA GLN A 106 -9.058 -16.813 11.163 1.00 0.00 C ATOM 1652 C GLN A 106 -10.278 -15.901 11.101 1.00 0.00 C ATOM 1653 O GLN A 106 -11.079 -15.854 12.035 1.00 0.00 O ATOM 1654 CB GLN A 106 -7.796 -15.983 11.406 1.00 0.00 C ATOM 1655 CG GLN A 106 -6.653 -16.777 12.016 1.00 0.00 C ATOM 1656 CD GLN A 106 -5.369 -15.976 12.104 1.00 0.00 C ATOM 1657 OE1 GLN A 106 -5.107 -15.109 11.272 1.00 0.00 O ATOM 1658 NE2 GLN A 106 -4.559 -16.266 13.117 1.00 0.00 N ATOM 0 H GLN A 106 -8.182 -17.266 9.312 1.00 0.00 H new ATOM 0 HA GLN A 106 -9.191 -17.510 11.990 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.465 -15.555 10.460 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.041 -15.150 12.065 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -6.939 -17.110 13.014 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -6.478 -17.672 11.419 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -4.817 -16.993 13.784 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -3.680 -15.761 13.227 1.00 0.00 H new ATOM 1667 N TRP A 107 -10.413 -15.177 9.995 1.00 0.00 N ATOM 1668 CA TRP A 107 -11.536 -14.264 9.810 1.00 0.00 C ATOM 1669 C TRP A 107 -12.864 -15.012 9.877 1.00 0.00 C ATOM 1670 O TRP A 107 -13.878 -14.459 10.303 1.00 0.00 O ATOM 1671 CB TRP A 107 -11.414 -13.537 8.475 1.00 0.00 C ATOM 1672 CG TRP A 107 -11.910 -12.126 8.533 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -13.175 -11.694 8.272 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -11.151 -10.964 8.882 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -13.251 -10.332 8.429 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -12.021 -9.860 8.805 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -9.821 -10.751 9.251 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -11.601 -8.561 9.082 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -9.406 -9.462 9.528 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -10.293 -8.381 9.442 1.00 0.00 C ATOM 0 H TRP A 107 -9.759 -15.204 9.213 1.00 0.00 H new ATOM 0 HA TRP A 107 -11.512 -13.532 10.617 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -10.370 -13.537 8.161 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -11.975 -14.083 7.717 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -13.999 -12.330 7.983 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -14.087 -9.764 8.289 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -9.130 -11.578 9.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -12.283 -7.726 9.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -8.380 -9.285 9.816 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -9.937 -7.386 9.664 1.00 0.00 H new ATOM 1691 N THR A 108 -12.851 -16.272 9.454 1.00 0.00 N ATOM 1692 CA THR A 108 -14.054 -17.095 9.468 1.00 0.00 C ATOM 1693 C THR A 108 -14.602 -17.239 10.885 1.00 0.00 C ATOM 1694 O THR A 108 -15.803 -17.426 11.078 1.00 0.00 O ATOM 1695 CB THR A 108 -13.756 -18.475 8.880 1.00 0.00 C ATOM 1696 OG1 THR A 108 -13.255 -18.361 7.560 1.00 0.00 O ATOM 1697 CG2 THR A 108 -14.966 -19.380 8.835 1.00 0.00 C ATOM 0 H THR A 108 -12.021 -16.745 9.097 1.00 0.00 H new ATOM 0 HA THR A 108 -14.810 -16.601 8.857 1.00 0.00 H new ATOM 0 HB THR A 108 -13.016 -18.918 9.546 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.275 -18.341 7.582 1.00 0.00 H new ATOM 0 HG21 THR A 108 -14.685 -20.342 8.407 1.00 0.00 H new ATOM 0 HG22 THR A 108 -15.346 -19.529 9.845 1.00 0.00 H new ATOM 0 HG23 THR A 108 -15.740 -18.922 8.220 1.00 0.00 H new