USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 467 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot -145:sc= 1.11 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.173 K(o=-0.17,f=-0.73) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0367 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.472 X(o=-0.47,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.495 8.276 -6.281 1.00 0.00 N ATOM 21 CA VAL A 2 -7.966 7.115 -5.505 1.00 0.00 C ATOM 22 C VAL A 2 -6.847 6.417 -6.283 1.00 0.00 C ATOM 23 O VAL A 2 -7.087 5.706 -7.237 1.00 0.00 O ATOM 24 CB VAL A 2 -9.158 6.172 -5.315 1.00 0.00 C ATOM 25 CG1 VAL A 2 -10.158 6.806 -4.348 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.843 5.917 -6.662 1.00 0.00 C ATOM 0 HA VAL A 2 -7.542 7.426 -4.550 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.804 5.225 -4.909 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -11.007 6.136 -4.212 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.675 6.979 -3.387 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.506 7.755 -4.755 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.690 5.246 -6.518 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -10.195 6.862 -7.076 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.132 5.462 -7.351 1.00 0.00 H new ATOM 36 N LYS A 3 -5.624 6.615 -5.873 1.00 0.00 N ATOM 37 CA LYS A 3 -4.479 5.965 -6.574 1.00 0.00 C ATOM 38 C LYS A 3 -3.452 5.491 -5.541 1.00 0.00 C ATOM 39 O LYS A 3 -3.081 6.222 -4.644 1.00 0.00 O ATOM 40 CB LYS A 3 -3.903 7.066 -7.478 1.00 0.00 C ATOM 41 CG LYS A 3 -2.494 6.694 -7.959 1.00 0.00 C ATOM 42 CD LYS A 3 -2.325 7.126 -9.417 1.00 0.00 C ATOM 43 CE LYS A 3 -1.665 5.998 -10.214 1.00 0.00 C ATOM 44 NZ LYS A 3 -0.475 6.625 -10.853 1.00 0.00 N ATOM 0 H LYS A 3 -5.367 7.202 -5.079 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.768 5.088 -7.153 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.557 7.217 -8.337 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.869 8.009 -6.933 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.744 7.180 -7.335 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.338 5.619 -7.866 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.295 7.371 -9.849 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.715 8.028 -9.471 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.375 5.172 -9.564 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.346 5.591 -10.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.031 5.913 -11.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.782 7.403 -11.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.159 6.997 -10.117 1.00 0.00 H new ATOM 58 N ILE A 4 -2.984 4.278 -5.658 1.00 0.00 N ATOM 59 CA ILE A 4 -1.983 3.784 -4.678 1.00 0.00 C ATOM 60 C ILE A 4 -0.605 3.694 -5.336 1.00 0.00 C ATOM 61 O ILE A 4 -0.460 3.196 -6.435 1.00 0.00 O ATOM 62 CB ILE A 4 -2.484 2.418 -4.226 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.775 2.602 -3.429 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.433 1.745 -3.341 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.534 1.281 -3.391 1.00 0.00 C ATOM 0 H ILE A 4 -3.251 3.614 -6.385 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.873 4.454 -3.825 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.670 1.791 -5.098 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.547 2.933 -2.416 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.391 3.376 -3.886 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.798 0.769 -3.021 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.509 1.620 -3.905 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.243 2.366 -2.465 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.456 1.407 -2.823 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.774 0.970 -4.408 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.916 0.520 -2.915 1.00 0.00 H new ATOM 77 N ARG A 5 0.407 4.184 -4.676 1.00 0.00 N ATOM 78 CA ARG A 5 1.768 4.139 -5.264 1.00 0.00 C ATOM 79 C ARG A 5 2.823 4.071 -4.162 1.00 0.00 C ATOM 80 O ARG A 5 2.509 3.943 -2.996 1.00 0.00 O ATOM 81 CB ARG A 5 1.904 5.439 -6.060 1.00 0.00 C ATOM 82 CG ARG A 5 1.651 6.631 -5.136 1.00 0.00 C ATOM 83 CD ARG A 5 2.073 7.923 -5.839 1.00 0.00 C ATOM 84 NE ARG A 5 3.346 8.326 -5.173 1.00 0.00 N ATOM 85 CZ ARG A 5 4.131 9.229 -5.715 1.00 0.00 C ATOM 86 NH1 ARG A 5 3.809 9.812 -6.843 1.00 0.00 N ATOM 87 NH2 ARG A 5 5.245 9.556 -5.118 1.00 0.00 N ATOM 0 H ARG A 5 0.347 4.614 -3.753 1.00 0.00 H new ATOM 0 HA ARG A 5 1.913 3.261 -5.893 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.901 5.508 -6.496 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.193 5.448 -6.886 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.596 6.679 -4.868 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.210 6.510 -4.208 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.220 7.762 -6.907 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.311 8.696 -5.735 1.00 0.00 H new ATOM 0 HE ARG A 5 3.610 7.895 -4.287 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.938 9.567 -7.313 1.00 0.00 H new ATOM 0 HH12 ARG A 5 4.429 10.511 -7.251 1.00 0.00 H new ATOM 0 HH21 ARG A 5 5.501 9.111 -4.237 1.00 0.00 H new ATOM 0 HH22 ARG A 5 5.859 10.256 -5.533 1.00 0.00 H new ATOM 101 N LEU A 6 4.073 4.164 -4.520 1.00 0.00 N ATOM 102 CA LEU A 6 5.148 4.105 -3.492 1.00 0.00 C ATOM 103 C LEU A 6 5.460 5.508 -2.963 1.00 0.00 C ATOM 104 O LEU A 6 5.753 6.418 -3.713 1.00 0.00 O ATOM 105 CB LEU A 6 6.362 3.536 -4.226 1.00 0.00 C ATOM 106 CG LEU A 6 6.253 2.016 -4.286 1.00 0.00 C ATOM 107 CD1 LEU A 6 5.550 1.602 -5.580 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.653 1.398 -4.247 1.00 0.00 C ATOM 0 H LEU A 6 4.396 4.278 -5.481 1.00 0.00 H new ATOM 0 HA LEU A 6 4.861 3.498 -2.633 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.417 3.947 -5.234 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.279 3.826 -3.713 1.00 0.00 H new ATOM 0 HG LEU A 6 5.677 1.663 -3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.473 0.515 -5.621 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.551 2.038 -5.607 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.124 1.958 -6.436 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.573 0.312 -4.290 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.231 1.753 -5.100 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.153 1.688 -3.323 1.00 0.00 H new ATOM 120 N ALA A 7 5.397 5.683 -1.672 1.00 0.00 N ATOM 121 CA ALA A 7 5.687 7.019 -1.075 1.00 0.00 C ATOM 122 C ALA A 7 7.119 7.053 -0.535 1.00 0.00 C ATOM 123 O ALA A 7 7.427 6.435 0.455 1.00 0.00 O ATOM 124 CB ALA A 7 4.684 7.137 0.067 1.00 0.00 C ATOM 0 H ALA A 7 5.156 4.954 -1.000 1.00 0.00 H new ATOM 0 HA ALA A 7 5.602 7.834 -1.794 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.818 8.094 0.572 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.671 7.076 -0.331 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.844 6.326 0.777 1.00 0.00 H new ATOM 130 N ARG A 8 8.000 7.750 -1.193 1.00 0.00 N ATOM 131 CA ARG A 8 9.420 7.794 -0.737 1.00 0.00 C ATOM 132 C ARG A 8 9.628 8.699 0.485 1.00 0.00 C ATOM 133 O ARG A 8 9.479 9.902 0.412 1.00 0.00 O ATOM 134 CB ARG A 8 10.186 8.359 -1.932 1.00 0.00 C ATOM 135 CG ARG A 8 11.687 8.355 -1.630 1.00 0.00 C ATOM 136 CD ARG A 8 12.395 9.350 -2.553 1.00 0.00 C ATOM 137 NE ARG A 8 12.266 10.670 -1.870 1.00 0.00 N ATOM 138 CZ ARG A 8 13.045 10.989 -0.862 1.00 0.00 C ATOM 139 NH1 ARG A 8 13.954 10.154 -0.422 1.00 0.00 N ATOM 140 NH2 ARG A 8 12.910 12.154 -0.289 1.00 0.00 N ATOM 0 H ARG A 8 7.799 8.295 -2.032 1.00 0.00 H new ATOM 0 HA ARG A 8 9.755 6.804 -0.427 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.982 7.763 -2.822 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.851 9.374 -2.145 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.860 8.623 -0.588 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.095 7.355 -1.774 1.00 0.00 H new ATOM 0 HD2 ARG A 8 13.441 9.080 -2.696 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.933 9.370 -3.540 1.00 0.00 H new ATOM 0 HE ARG A 8 11.562 11.335 -2.191 1.00 0.00 H new ATOM 0 HH11 ARG A 8 14.064 9.241 -0.863 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.551 10.417 0.362 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.204 12.809 -0.625 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.511 12.410 0.495 1.00 0.00 H new ATOM 276 N TYR A 17 9.653 2.947 1.187 1.00 0.00 N ATOM 277 CA TYR A 17 8.477 3.621 0.601 1.00 0.00 C ATOM 278 C TYR A 17 7.224 2.970 1.145 1.00 0.00 C ATOM 279 O TYR A 17 7.275 1.878 1.661 1.00 0.00 O ATOM 280 CB TYR A 17 8.537 3.331 -0.889 1.00 0.00 C ATOM 281 CG TYR A 17 9.775 3.907 -1.516 1.00 0.00 C ATOM 282 CD1 TYR A 17 11.034 3.393 -1.193 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.656 4.942 -2.445 1.00 0.00 C ATOM 284 CE1 TYR A 17 12.175 3.920 -1.797 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.795 5.468 -3.053 1.00 0.00 C ATOM 286 CZ TYR A 17 12.060 4.959 -2.730 1.00 0.00 C ATOM 287 OH TYR A 17 13.188 5.478 -3.332 1.00 0.00 O ATOM 0 HA TYR A 17 8.469 4.688 0.823 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.514 2.253 -1.052 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.655 3.746 -1.377 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.123 2.589 -0.477 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.681 5.335 -2.693 1.00 0.00 H new ATOM 0 HE1 TYR A 17 13.149 3.527 -1.545 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.702 6.268 -3.773 1.00 0.00 H new ATOM 0 HH TYR A 17 12.929 6.191 -3.953 1.00 0.00 H new ATOM 297 N ARG A 18 6.095 3.591 0.993 1.00 0.00 N ATOM 298 CA ARG A 18 4.853 2.944 1.454 1.00 0.00 C ATOM 299 C ARG A 18 3.919 2.821 0.264 1.00 0.00 C ATOM 300 O ARG A 18 3.998 3.589 -0.676 1.00 0.00 O ATOM 301 CB ARG A 18 4.252 3.870 2.502 1.00 0.00 C ATOM 302 CG ARG A 18 4.874 3.585 3.870 1.00 0.00 C ATOM 303 CD ARG A 18 4.621 4.774 4.800 1.00 0.00 C ATOM 304 NE ARG A 18 3.788 4.226 5.910 1.00 0.00 N ATOM 305 CZ ARG A 18 4.331 3.517 6.872 1.00 0.00 C ATOM 306 NH1 ARG A 18 5.618 3.265 6.882 1.00 0.00 N ATOM 307 NH2 ARG A 18 3.577 3.054 7.832 1.00 0.00 N ATOM 0 H ARG A 18 5.982 4.513 0.572 1.00 0.00 H new ATOM 0 HA ARG A 18 5.025 1.953 1.873 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.426 4.909 2.224 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.172 3.729 2.548 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.444 2.678 4.296 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.945 3.412 3.766 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.557 5.187 5.176 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.104 5.580 4.279 1.00 0.00 H new ATOM 0 HE ARG A 18 2.784 4.405 5.921 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.213 3.622 6.135 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.024 2.712 7.637 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.575 3.244 7.830 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.990 2.502 8.584 1.00 0.00 H new ATOM 321 N ILE A 19 3.015 1.902 0.305 1.00 0.00 N ATOM 322 CA ILE A 19 2.055 1.779 -0.807 1.00 0.00 C ATOM 323 C ILE A 19 0.836 2.510 -0.287 1.00 0.00 C ATOM 324 O ILE A 19 -0.075 1.939 0.272 1.00 0.00 O ATOM 325 CB ILE A 19 1.789 0.277 -1.024 1.00 0.00 C ATOM 326 CG1 ILE A 19 2.934 -0.595 -0.495 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.676 -0.004 -2.515 1.00 0.00 C ATOM 328 CD1 ILE A 19 4.246 -0.115 -1.108 1.00 0.00 C ATOM 0 H ILE A 19 2.898 1.228 1.062 1.00 0.00 H new ATOM 0 HA ILE A 19 2.382 2.187 -1.763 1.00 0.00 H new ATOM 0 HB ILE A 19 0.871 0.036 -0.487 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.982 -0.535 0.592 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.760 -1.641 -0.749 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.488 -1.066 -2.672 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.853 0.576 -2.933 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.606 0.277 -3.010 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.067 -0.729 -0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.192 -0.198 -2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.418 0.925 -0.831 1.00 0.00 H new ATOM 340 N VAL A 20 0.896 3.804 -0.370 1.00 0.00 N ATOM 341 CA VAL A 20 -0.157 4.653 0.217 1.00 0.00 C ATOM 342 C VAL A 20 -1.176 5.092 -0.837 1.00 0.00 C ATOM 343 O VAL A 20 -0.924 5.048 -2.025 1.00 0.00 O ATOM 344 CB VAL A 20 0.667 5.822 0.811 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.534 7.109 -0.011 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.238 6.082 2.250 1.00 0.00 C ATOM 0 H VAL A 20 1.649 4.316 -0.831 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.775 4.157 0.966 1.00 0.00 H new ATOM 0 HB VAL A 20 1.715 5.525 0.783 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.131 7.897 0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.888 6.930 -1.026 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.512 7.416 -0.040 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.822 6.906 2.661 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.821 6.341 2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.405 5.186 2.847 1.00 0.00 H new ATOM 356 N VAL A 21 -2.338 5.478 -0.395 1.00 0.00 N ATOM 357 CA VAL A 21 -3.410 5.881 -1.344 1.00 0.00 C ATOM 358 C VAL A 21 -3.619 7.397 -1.300 1.00 0.00 C ATOM 359 O VAL A 21 -4.188 7.930 -0.367 1.00 0.00 O ATOM 360 CB VAL A 21 -4.688 5.151 -0.874 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.561 4.858 -2.087 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.365 3.817 -0.187 1.00 0.00 C ATOM 0 H VAL A 21 -2.593 5.532 0.591 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.153 5.620 -2.371 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.197 5.797 -0.158 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.467 4.342 -1.767 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.830 5.794 -2.576 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.012 4.227 -2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.291 3.336 0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.838 3.167 -0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.736 3.999 0.685 1.00 0.00 H new ATOM 372 N THR A 22 -3.171 8.092 -2.307 1.00 0.00 N ATOM 373 CA THR A 22 -3.346 9.574 -2.336 1.00 0.00 C ATOM 374 C THR A 22 -3.905 10.006 -3.694 1.00 0.00 C ATOM 375 O THR A 22 -4.345 9.193 -4.482 1.00 0.00 O ATOM 376 CB THR A 22 -1.942 10.158 -2.122 1.00 0.00 C ATOM 377 OG1 THR A 22 -1.971 11.559 -2.360 1.00 0.00 O ATOM 378 CG2 THR A 22 -0.946 9.500 -3.078 1.00 0.00 C ATOM 0 H THR A 22 -2.689 7.698 -3.115 1.00 0.00 H new ATOM 0 HA THR A 22 -4.044 9.920 -1.573 1.00 0.00 H new ATOM 0 HB THR A 22 -1.630 9.965 -1.096 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.076 11.933 -2.222 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.046 9.922 -2.917 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.918 8.426 -2.892 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.255 9.682 -4.107 1.00 0.00 H new ATOM 543 N TYR A 32 -1.811 11.370 1.571 1.00 0.00 N ATOM 544 CA TYR A 32 -2.690 10.260 1.099 1.00 0.00 C ATOM 545 C TYR A 32 -3.892 10.091 2.028 1.00 0.00 C ATOM 546 O TYR A 32 -3.819 10.349 3.213 1.00 0.00 O ATOM 547 CB TYR A 32 -1.819 9.000 1.142 1.00 0.00 C ATOM 548 CG TYR A 32 -1.272 8.811 2.537 1.00 0.00 C ATOM 549 CD1 TYR A 32 -2.077 8.245 3.529 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.038 9.204 2.837 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.576 8.068 4.822 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.541 9.027 4.131 1.00 0.00 C ATOM 553 CZ TYR A 32 -0.267 8.459 5.125 1.00 0.00 C ATOM 554 OH TYR A 32 0.227 8.288 6.401 1.00 0.00 O ATOM 0 HA TYR A 32 -3.079 10.458 0.100 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.406 8.129 0.849 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.000 9.087 0.428 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.088 7.944 3.296 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.660 9.643 2.071 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.199 7.629 5.587 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.552 9.328 4.363 1.00 0.00 H new ATOM 0 HH TYR A 32 1.151 8.611 6.440 1.00 0.00 H new ATOM 564 N ILE A 33 -4.993 9.643 1.494 1.00 0.00 N ATOM 565 CA ILE A 33 -6.200 9.435 2.338 1.00 0.00 C ATOM 566 C ILE A 33 -5.850 8.491 3.495 1.00 0.00 C ATOM 567 O ILE A 33 -6.088 8.789 4.649 1.00 0.00 O ATOM 568 CB ILE A 33 -7.223 8.801 1.383 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.806 9.887 0.476 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.356 8.143 2.175 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.614 9.490 -0.989 1.00 0.00 C ATOM 0 H ILE A 33 -5.109 9.412 0.507 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.585 10.351 2.786 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.723 8.040 0.783 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.866 10.024 0.690 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.316 10.841 0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.072 7.699 1.484 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.945 7.367 2.821 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.858 8.894 2.785 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -8.030 10.265 -1.633 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.550 9.376 -1.199 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.125 8.546 -1.180 1.00 0.00 H new ATOM 583 N GLU A 34 -5.278 7.359 3.190 1.00 0.00 N ATOM 584 CA GLU A 34 -4.901 6.394 4.263 1.00 0.00 C ATOM 585 C GLU A 34 -3.750 5.502 3.783 1.00 0.00 C ATOM 586 O GLU A 34 -3.624 5.217 2.609 1.00 0.00 O ATOM 587 CB GLU A 34 -6.160 5.561 4.508 1.00 0.00 C ATOM 588 CG GLU A 34 -7.118 6.338 5.415 1.00 0.00 C ATOM 589 CD GLU A 34 -8.171 5.383 5.982 1.00 0.00 C ATOM 590 OE1 GLU A 34 -8.477 4.407 5.317 1.00 0.00 O ATOM 591 OE2 GLU A 34 -8.653 5.645 7.072 1.00 0.00 O ATOM 0 H GLU A 34 -5.054 7.059 2.241 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.562 6.893 5.171 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.646 5.330 3.560 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.895 4.610 4.970 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.565 6.810 6.227 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.601 7.137 4.852 1.00 0.00 H new ATOM 598 N LYS A 35 -2.909 5.060 4.679 1.00 0.00 N ATOM 599 CA LYS A 35 -1.771 4.188 4.260 1.00 0.00 C ATOM 600 C LYS A 35 -2.194 2.716 4.300 1.00 0.00 C ATOM 601 O LYS A 35 -2.571 2.194 5.330 1.00 0.00 O ATOM 602 CB LYS A 35 -0.648 4.467 5.265 1.00 0.00 C ATOM 603 CG LYS A 35 -1.061 3.995 6.663 1.00 0.00 C ATOM 604 CD LYS A 35 -0.421 4.909 7.712 1.00 0.00 C ATOM 605 CE LYS A 35 -1.324 4.985 8.946 1.00 0.00 C ATOM 606 NZ LYS A 35 -0.879 6.210 9.669 1.00 0.00 N ATOM 0 H LYS A 35 -2.959 5.263 5.677 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.447 4.395 3.240 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.263 3.956 4.955 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.424 5.534 5.285 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.146 4.014 6.760 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.745 2.964 6.820 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.561 4.528 7.991 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.270 5.906 7.297 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.375 5.052 8.664 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.217 4.097 9.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.451 6.333 10.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.123 6.114 9.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.998 7.039 9.053 1.00 0.00 H new ATOM 620 N ILE A 36 -2.147 2.052 3.176 1.00 0.00 N ATOM 621 CA ILE A 36 -2.566 0.613 3.136 1.00 0.00 C ATOM 622 C ILE A 36 -1.371 -0.318 3.020 1.00 0.00 C ATOM 623 O ILE A 36 -1.388 -1.424 3.526 1.00 0.00 O ATOM 624 CB ILE A 36 -3.450 0.487 1.896 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.702 1.036 0.665 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.733 1.280 2.127 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.445 0.680 -0.616 1.00 0.00 C ATOM 0 H ILE A 36 -1.838 2.439 2.284 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.085 0.331 4.052 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.694 -0.560 1.716 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.603 2.119 0.746 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.693 0.625 0.633 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.374 1.199 1.249 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.256 0.881 2.996 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.487 2.328 2.301 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.902 1.076 -1.474 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.521 -0.404 -0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.445 1.113 -0.589 1.00 0.00 H new ATOM 639 N GLY A 37 -0.355 0.090 2.332 1.00 0.00 N ATOM 640 CA GLY A 37 0.804 -0.808 2.161 1.00 0.00 C ATOM 641 C GLY A 37 2.088 -0.203 2.710 1.00 0.00 C ATOM 642 O GLY A 37 2.181 0.972 3.007 1.00 0.00 O ATOM 0 H GLY A 37 -0.276 1.002 1.882 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.606 -1.754 2.665 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.934 -1.032 1.102 1.00 0.00 H new ATOM 646 N TYR A 38 3.094 -1.024 2.787 1.00 0.00 N ATOM 647 CA TYR A 38 4.435 -0.569 3.252 1.00 0.00 C ATOM 648 C TYR A 38 5.508 -1.253 2.398 1.00 0.00 C ATOM 649 O TYR A 38 5.524 -2.462 2.270 1.00 0.00 O ATOM 650 CB TYR A 38 4.544 -1.018 4.711 1.00 0.00 C ATOM 651 CG TYR A 38 5.932 -0.704 5.227 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.273 0.611 5.565 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.879 -1.728 5.364 1.00 0.00 C ATOM 654 CE1 TYR A 38 7.556 0.902 6.041 1.00 0.00 C ATOM 655 CE2 TYR A 38 8.164 -1.436 5.841 1.00 0.00 C ATOM 656 CZ TYR A 38 8.501 -0.121 6.179 1.00 0.00 C ATOM 657 OH TYR A 38 9.766 0.168 6.647 1.00 0.00 O ATOM 0 H TYR A 38 3.044 -2.013 2.542 1.00 0.00 H new ATOM 0 HA TYR A 38 4.567 0.509 3.165 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.794 -0.510 5.317 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.347 -2.087 4.791 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.545 1.402 5.458 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.618 -2.743 5.102 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.817 1.917 6.302 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.893 -2.225 5.948 1.00 0.00 H new ATOM 0 HH TYR A 38 10.421 -0.405 6.196 1.00 0.00 H new ATOM 667 N TYR A 39 6.410 -0.507 1.819 1.00 0.00 N ATOM 668 CA TYR A 39 7.469 -1.156 0.990 1.00 0.00 C ATOM 669 C TYR A 39 8.858 -0.808 1.549 1.00 0.00 C ATOM 670 O TYR A 39 9.102 0.303 1.973 1.00 0.00 O ATOM 671 CB TYR A 39 7.328 -0.596 -0.430 1.00 0.00 C ATOM 672 CG TYR A 39 8.485 -1.085 -1.271 1.00 0.00 C ATOM 673 CD1 TYR A 39 9.682 -0.365 -1.302 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.367 -2.275 -1.996 1.00 0.00 C ATOM 675 CE1 TYR A 39 10.761 -0.832 -2.061 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.447 -2.746 -2.754 1.00 0.00 C ATOM 677 CZ TYR A 39 10.645 -2.023 -2.787 1.00 0.00 C ATOM 678 OH TYR A 39 11.711 -2.486 -3.530 1.00 0.00 O ATOM 0 H TYR A 39 6.461 0.510 1.882 1.00 0.00 H new ATOM 0 HA TYR A 39 7.361 -2.241 0.998 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.383 -0.916 -0.868 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.315 0.494 -0.405 1.00 0.00 H new ATOM 0 HD1 TYR A 39 9.775 0.553 -0.740 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.442 -2.832 -1.972 1.00 0.00 H new ATOM 0 HE1 TYR A 39 11.684 -0.273 -2.087 1.00 0.00 H new ATOM 0 HE2 TYR A 39 9.355 -3.666 -3.312 1.00 0.00 H new ATOM 0 HH TYR A 39 11.463 -3.325 -3.971 1.00 0.00 H new ATOM 688 N ASP A 40 9.771 -1.736 1.526 1.00 0.00 N ATOM 689 CA ASP A 40 11.145 -1.444 2.029 1.00 0.00 C ATOM 690 C ASP A 40 12.175 -2.127 1.121 1.00 0.00 C ATOM 691 O ASP A 40 12.345 -3.328 1.183 1.00 0.00 O ATOM 692 CB ASP A 40 11.184 -2.030 3.441 1.00 0.00 C ATOM 693 CG ASP A 40 12.041 -1.142 4.344 1.00 0.00 C ATOM 694 OD1 ASP A 40 12.827 -0.373 3.813 1.00 0.00 O ATOM 695 OD2 ASP A 40 11.899 -1.244 5.551 1.00 0.00 O ATOM 0 H ASP A 40 9.628 -2.685 1.181 1.00 0.00 H new ATOM 0 HA ASP A 40 11.378 -0.379 2.035 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.173 -2.105 3.842 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.592 -3.040 3.415 1.00 0.00 H new ATOM 838 N LEU A 49 8.144 -6.399 1.858 1.00 0.00 N ATOM 839 CA LEU A 49 6.756 -6.082 1.409 1.00 0.00 C ATOM 840 C LEU A 49 5.748 -6.392 2.517 1.00 0.00 C ATOM 841 O LEU A 49 5.483 -7.536 2.828 1.00 0.00 O ATOM 842 CB LEU A 49 6.507 -6.997 0.211 1.00 0.00 C ATOM 843 CG LEU A 49 5.272 -6.517 -0.555 1.00 0.00 C ATOM 844 CD1 LEU A 49 5.507 -6.685 -2.055 1.00 0.00 C ATOM 845 CD2 LEU A 49 4.057 -7.348 -0.136 1.00 0.00 C ATOM 0 HA LEU A 49 6.644 -5.027 1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.377 -6.998 -0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.362 -8.023 0.549 1.00 0.00 H new ATOM 0 HG LEU A 49 5.091 -5.466 -0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.628 -6.343 -2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.373 -6.095 -2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.688 -7.736 -2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.177 -7.007 -0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.239 -8.399 -0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.888 -7.232 0.935 1.00 0.00 H new ATOM 857 N LYS A 50 5.171 -5.381 3.101 1.00 0.00 N ATOM 858 CA LYS A 50 4.166 -5.614 4.175 1.00 0.00 C ATOM 859 C LYS A 50 2.920 -4.769 3.894 1.00 0.00 C ATOM 860 O LYS A 50 2.856 -3.607 4.246 1.00 0.00 O ATOM 861 CB LYS A 50 4.848 -5.161 5.467 1.00 0.00 C ATOM 862 CG LYS A 50 3.958 -5.515 6.659 1.00 0.00 C ATOM 863 CD LYS A 50 4.480 -6.787 7.331 1.00 0.00 C ATOM 864 CE LYS A 50 5.800 -6.488 8.046 1.00 0.00 C ATOM 865 NZ LYS A 50 5.406 -6.068 9.420 1.00 0.00 N ATOM 0 H LYS A 50 5.352 -4.402 2.881 1.00 0.00 H new ATOM 0 HA LYS A 50 3.848 -6.655 4.237 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.820 -5.644 5.568 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.028 -4.086 5.439 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.947 -4.692 7.374 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.930 -5.663 6.327 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.745 -7.161 8.044 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.628 -7.569 6.586 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.444 -7.367 8.071 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.356 -5.701 7.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.258 -5.846 9.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.799 -5.225 9.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.885 -6.840 9.883 1.00 0.00 H new ATOM 879 N VAL A 51 1.934 -5.335 3.250 1.00 0.00 N ATOM 880 CA VAL A 51 0.710 -4.543 2.941 1.00 0.00 C ATOM 881 C VAL A 51 -0.510 -5.113 3.665 1.00 0.00 C ATOM 882 O VAL A 51 -0.651 -6.306 3.842 1.00 0.00 O ATOM 883 CB VAL A 51 0.539 -4.644 1.400 1.00 0.00 C ATOM 884 CG1 VAL A 51 -0.932 -4.855 0.997 1.00 0.00 C ATOM 885 CG2 VAL A 51 1.006 -3.349 0.750 1.00 0.00 C ATOM 0 H VAL A 51 1.923 -6.303 2.927 1.00 0.00 H new ATOM 0 HA VAL A 51 0.803 -3.509 3.273 1.00 0.00 H new ATOM 0 HB VAL A 51 1.130 -5.498 1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.006 -4.920 -0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.302 -5.779 1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.530 -4.016 1.352 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.886 -3.421 -0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.411 -2.517 1.127 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.056 -3.181 0.988 1.00 0.00 H new ATOM 895 N ASP A 52 -1.422 -4.256 4.010 1.00 0.00 N ATOM 896 CA ASP A 52 -2.677 -4.721 4.637 1.00 0.00 C ATOM 897 C ASP A 52 -3.673 -4.920 3.500 1.00 0.00 C ATOM 898 O ASP A 52 -4.584 -4.135 3.327 1.00 0.00 O ATOM 899 CB ASP A 52 -3.118 -3.583 5.561 1.00 0.00 C ATOM 900 CG ASP A 52 -3.824 -4.160 6.789 1.00 0.00 C ATOM 901 OD1 ASP A 52 -3.642 -5.336 7.057 1.00 0.00 O ATOM 902 OD2 ASP A 52 -4.536 -3.415 7.442 1.00 0.00 O ATOM 0 H ASP A 52 -1.349 -3.247 3.883 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.585 -5.648 5.203 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.253 -2.996 5.869 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.788 -2.908 5.028 1.00 0.00 H new ATOM 907 N VAL A 53 -3.457 -5.939 2.687 1.00 0.00 N ATOM 908 CA VAL A 53 -4.345 -6.192 1.498 1.00 0.00 C ATOM 909 C VAL A 53 -5.810 -5.856 1.809 1.00 0.00 C ATOM 910 O VAL A 53 -6.539 -5.445 0.937 1.00 0.00 O ATOM 911 CB VAL A 53 -4.134 -7.680 1.085 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.861 -8.572 2.297 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.364 -8.221 0.334 1.00 0.00 C ATOM 0 H VAL A 53 -2.697 -6.610 2.799 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.082 -5.541 0.664 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.264 -7.703 0.429 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.720 -9.601 1.967 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.961 -8.228 2.807 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.707 -8.524 2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.192 -9.261 0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.241 -8.157 0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.531 -7.628 -0.565 1.00 0.00 H new ATOM 923 N GLU A 54 -6.242 -5.983 3.033 1.00 0.00 N ATOM 924 CA GLU A 54 -7.649 -5.612 3.337 1.00 0.00 C ATOM 925 C GLU A 54 -7.840 -4.129 3.018 1.00 0.00 C ATOM 926 O GLU A 54 -8.711 -3.749 2.262 1.00 0.00 O ATOM 927 CB GLU A 54 -7.835 -5.885 4.831 1.00 0.00 C ATOM 928 CG GLU A 54 -8.228 -7.350 5.039 1.00 0.00 C ATOM 929 CD GLU A 54 -9.754 -7.476 5.086 1.00 0.00 C ATOM 930 OE1 GLU A 54 -10.423 -6.492 4.817 1.00 0.00 O ATOM 931 OE2 GLU A 54 -10.227 -8.559 5.392 1.00 0.00 O ATOM 0 H GLU A 54 -5.692 -6.322 3.822 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.376 -6.175 2.752 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.913 -5.665 5.369 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.605 -5.230 5.238 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.828 -7.962 4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.794 -7.724 5.966 1.00 0.00 H new ATOM 938 N ARG A 55 -7.003 -3.294 3.567 1.00 0.00 N ATOM 939 CA ARG A 55 -7.097 -1.840 3.278 1.00 0.00 C ATOM 940 C ARG A 55 -6.638 -1.598 1.842 1.00 0.00 C ATOM 941 O ARG A 55 -7.227 -0.833 1.105 1.00 0.00 O ATOM 942 CB ARG A 55 -6.132 -1.177 4.265 1.00 0.00 C ATOM 943 CG ARG A 55 -6.920 -0.408 5.326 1.00 0.00 C ATOM 944 CD ARG A 55 -7.349 0.945 4.758 1.00 0.00 C ATOM 945 NE ARG A 55 -8.722 0.711 4.226 1.00 0.00 N ATOM 946 CZ ARG A 55 -9.753 0.638 5.037 1.00 0.00 C ATOM 947 NH1 ARG A 55 -9.604 0.775 6.331 1.00 0.00 N ATOM 948 NH2 ARG A 55 -10.944 0.422 4.549 1.00 0.00 N ATOM 0 H ARG A 55 -6.254 -3.560 4.207 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.108 -1.446 3.381 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.508 -1.933 4.740 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.463 -0.500 3.734 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.796 -0.981 5.631 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.308 -0.264 6.216 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.348 1.716 5.528 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.671 1.278 3.972 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.862 0.606 3.221 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.677 0.941 6.723 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.415 0.716 6.947 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.070 0.311 3.543 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.748 0.364 5.174 1.00 0.00 H new ATOM 962 N ALA A 56 -5.603 -2.274 1.431 1.00 0.00 N ATOM 963 CA ALA A 56 -5.119 -2.113 0.044 1.00 0.00 C ATOM 964 C ALA A 56 -6.195 -2.646 -0.909 1.00 0.00 C ATOM 965 O ALA A 56 -6.205 -2.341 -2.088 1.00 0.00 O ATOM 966 CB ALA A 56 -3.811 -2.921 -0.011 1.00 0.00 C ATOM 0 H ALA A 56 -5.073 -2.932 2.002 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.931 -1.081 -0.252 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.384 -2.854 -1.012 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.103 -2.518 0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.018 -3.965 0.226 1.00 0.00 H new ATOM 972 N ARG A 57 -7.131 -3.418 -0.397 1.00 0.00 N ATOM 973 CA ARG A 57 -8.223 -3.934 -1.256 1.00 0.00 C ATOM 974 C ARG A 57 -9.378 -2.925 -1.268 1.00 0.00 C ATOM 975 O ARG A 57 -10.134 -2.836 -2.214 1.00 0.00 O ATOM 976 CB ARG A 57 -8.661 -5.254 -0.618 1.00 0.00 C ATOM 977 CG ARG A 57 -9.911 -5.784 -1.327 1.00 0.00 C ATOM 978 CD ARG A 57 -9.665 -7.224 -1.784 1.00 0.00 C ATOM 979 NE ARG A 57 -11.003 -7.733 -2.203 1.00 0.00 N ATOM 980 CZ ARG A 57 -11.884 -8.123 -1.312 1.00 0.00 C ATOM 981 NH1 ARG A 57 -11.628 -8.045 -0.030 1.00 0.00 N ATOM 982 NH2 ARG A 57 -13.036 -8.589 -1.711 1.00 0.00 N ATOM 0 H ARG A 57 -7.176 -3.707 0.580 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.907 -4.084 -2.288 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.856 -5.986 -0.685 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.869 -5.105 0.442 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.768 -5.746 -0.654 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.151 -5.155 -2.184 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.954 -7.260 -2.609 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.248 -7.828 -0.978 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.236 -7.779 -3.195 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.732 -7.677 0.290 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.324 -8.353 0.649 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.245 -8.648 -2.708 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.727 -8.895 -1.026 1.00 0.00 H new ATOM 996 N TYR A 58 -9.493 -2.145 -0.224 1.00 0.00 N ATOM 997 CA TYR A 58 -10.562 -1.112 -0.158 1.00 0.00 C ATOM 998 C TYR A 58 -10.363 -0.181 -1.331 1.00 0.00 C ATOM 999 O TYR A 58 -11.281 0.242 -2.010 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.279 -0.369 1.149 1.00 0.00 C ATOM 1001 CG TYR A 58 -11.068 0.923 1.219 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.451 0.906 1.026 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.413 2.137 1.481 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -13.185 2.096 1.093 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -11.147 3.327 1.548 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.533 3.306 1.354 1.00 0.00 C ATOM 1007 OH TYR A 58 -13.258 4.479 1.421 1.00 0.00 O ATOM 0 H TYR A 58 -8.883 -2.183 0.593 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.576 -1.511 -0.191 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.538 -1.004 1.996 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.213 -0.153 1.226 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.955 -0.027 0.825 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.344 2.153 1.631 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -14.254 2.080 0.943 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.644 4.261 1.749 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.654 5.227 1.611 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.136 0.137 -1.539 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.759 1.053 -2.631 1.00 0.00 C ATOM 1019 C TRP A 59 -8.973 0.381 -3.973 1.00 0.00 C ATOM 1020 O TRP A 59 -9.690 0.874 -4.822 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.307 1.368 -2.338 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.345 2.147 -1.080 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.823 1.785 0.105 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.040 3.384 -0.867 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.121 2.769 1.036 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -7.883 3.776 0.476 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.775 4.197 -1.726 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.450 4.957 0.955 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.351 5.381 -1.257 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.191 5.762 0.081 1.00 0.00 C ATOM 0 H TRP A 59 -8.353 -0.208 -0.984 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.356 1.963 -2.683 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.718 0.458 -2.224 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.854 1.941 -3.147 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.266 0.881 0.299 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.817 2.751 2.009 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.901 3.911 -2.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.319 5.247 1.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.922 6.005 -1.929 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.639 6.677 0.439 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.402 -0.763 -4.159 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.631 -1.487 -5.436 1.00 0.00 C ATOM 1043 C LEU A 60 -10.143 -1.688 -5.617 1.00 0.00 C ATOM 1044 O LEU A 60 -10.628 -1.894 -6.712 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.914 -2.827 -5.278 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.497 -2.717 -5.842 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.659 -3.893 -5.342 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.551 -2.744 -7.371 1.00 0.00 C ATOM 0 H LEU A 60 -7.790 -1.231 -3.491 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.258 -0.950 -6.308 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.877 -3.110 -4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.465 -3.610 -5.800 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.046 -1.781 -5.512 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.648 -3.816 -5.743 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.619 -3.875 -4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.111 -4.828 -5.673 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.541 -2.666 -7.772 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.001 -3.679 -7.703 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.149 -1.906 -7.729 1.00 0.00 H new ATOM 1060 N SER A 61 -10.892 -1.617 -4.537 1.00 0.00 N ATOM 1061 CA SER A 61 -12.366 -1.790 -4.634 1.00 0.00 C ATOM 1062 C SER A 61 -13.032 -0.485 -5.095 1.00 0.00 C ATOM 1063 O SER A 61 -14.108 -0.500 -5.659 1.00 0.00 O ATOM 1064 CB SER A 61 -12.818 -2.161 -3.222 1.00 0.00 C ATOM 1065 OG SER A 61 -14.157 -1.724 -3.022 1.00 0.00 O ATOM 0 H SER A 61 -10.538 -1.446 -3.596 1.00 0.00 H new ATOM 0 HA SER A 61 -12.642 -2.553 -5.361 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.751 -3.239 -3.079 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.160 -1.700 -2.485 1.00 0.00 H new ATOM 0 HG SER A 61 -14.447 -1.963 -2.117 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.407 0.644 -4.869 1.00 0.00 N ATOM 1072 CA VAL A 62 -13.020 1.924 -5.307 1.00 0.00 C ATOM 1073 C VAL A 62 -12.396 2.365 -6.630 1.00 0.00 C ATOM 1074 O VAL A 62 -12.259 3.540 -6.909 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.700 2.943 -4.207 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -13.254 2.471 -2.861 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.189 3.105 -4.086 1.00 0.00 C ATOM 0 H VAL A 62 -11.504 0.729 -4.402 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.095 1.829 -5.460 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.161 3.894 -4.472 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -13.018 3.207 -2.092 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.336 2.356 -2.933 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.804 1.514 -2.598 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.962 3.830 -3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.739 2.145 -3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.784 3.457 -5.035 1.00 0.00 H new ATOM 1087 N GLY A 63 -12.017 1.424 -7.439 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.395 1.766 -8.748 1.00 0.00 C ATOM 1089 C GLY A 63 -10.047 2.448 -8.511 1.00 0.00 C ATOM 1090 O GLY A 63 -9.621 3.286 -9.281 1.00 0.00 O ATOM 0 H GLY A 63 -12.110 0.426 -7.252 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.258 0.864 -9.344 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.053 2.425 -9.314 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.366 2.096 -7.452 1.00 0.00 N ATOM 1095 CA ALA A 64 -8.046 2.726 -7.174 1.00 0.00 C ATOM 1096 C ALA A 64 -7.077 2.434 -8.316 1.00 0.00 C ATOM 1097 O ALA A 64 -7.127 1.391 -8.936 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.557 2.074 -5.881 1.00 0.00 C ATOM 0 H ALA A 64 -9.668 1.400 -6.770 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.117 3.810 -7.081 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.586 2.488 -5.610 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.271 2.271 -5.082 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.465 0.998 -6.028 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.197 3.349 -8.598 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.220 3.131 -9.697 1.00 0.00 C ATOM 1106 C GLN A 65 -3.818 2.909 -9.117 1.00 0.00 C ATOM 1107 O GLN A 65 -3.100 3.854 -8.860 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.262 4.416 -10.524 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.827 4.113 -11.912 1.00 0.00 C ATOM 1110 CD GLN A 65 -4.876 3.173 -12.656 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -3.677 3.362 -12.634 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -5.365 2.160 -13.318 1.00 0.00 N ATOM 0 H GLN A 65 -6.111 4.242 -8.113 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.459 2.253 -10.298 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.879 5.163 -10.024 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.260 4.837 -10.612 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.812 3.655 -11.823 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.955 5.038 -12.474 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.372 2.001 -13.336 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.740 1.527 -13.817 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.468 1.663 -8.924 1.00 0.00 N ATOM 1122 CA PRO A 66 -2.134 1.335 -8.376 1.00 0.00 C ATOM 1123 C PRO A 66 -1.081 1.399 -9.490 1.00 0.00 C ATOM 1124 O PRO A 66 -1.206 0.746 -10.507 1.00 0.00 O ATOM 1125 CB PRO A 66 -2.297 -0.098 -7.879 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.406 -0.678 -8.702 1.00 0.00 C ATOM 1127 CD PRO A 66 -4.270 0.461 -9.182 1.00 0.00 C ATOM 0 HA PRO A 66 -1.807 2.021 -7.594 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.375 -0.665 -8.006 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.542 -0.121 -6.817 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.003 -1.234 -9.548 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.994 -1.380 -8.110 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.506 0.361 -10.241 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.218 0.494 -8.646 1.00 0.00 H new ATOM 1135 N THR A 67 -0.045 2.175 -9.313 1.00 0.00 N ATOM 1136 CA THR A 67 1.001 2.260 -10.378 1.00 0.00 C ATOM 1137 C THR A 67 1.570 0.866 -10.655 1.00 0.00 C ATOM 1138 O THR A 67 1.387 -0.052 -9.885 1.00 0.00 O ATOM 1139 CB THR A 67 2.082 3.198 -9.828 1.00 0.00 C ATOM 1140 OG1 THR A 67 3.205 3.177 -10.698 1.00 0.00 O ATOM 1141 CG2 THR A 67 2.511 2.745 -8.434 1.00 0.00 C ATOM 0 H THR A 67 0.123 2.749 -8.487 1.00 0.00 H new ATOM 0 HA THR A 67 0.602 2.636 -11.320 1.00 0.00 H new ATOM 0 HB THR A 67 1.681 4.209 -9.764 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.898 3.777 -10.352 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.279 3.418 -8.053 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.650 2.761 -7.765 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.910 1.732 -8.487 1.00 0.00 H new ATOM 1149 N ASP A 68 2.243 0.694 -11.760 1.00 0.00 N ATOM 1150 CA ASP A 68 2.803 -0.648 -12.096 1.00 0.00 C ATOM 1151 C ASP A 68 3.748 -1.148 -10.998 1.00 0.00 C ATOM 1152 O ASP A 68 3.982 -2.332 -10.865 1.00 0.00 O ATOM 1153 CB ASP A 68 3.565 -0.440 -13.405 1.00 0.00 C ATOM 1154 CG ASP A 68 2.601 0.052 -14.485 1.00 0.00 C ATOM 1155 OD1 ASP A 68 2.002 -0.784 -15.142 1.00 0.00 O ATOM 1156 OD2 ASP A 68 2.477 1.256 -14.638 1.00 0.00 O ATOM 0 H ASP A 68 2.430 1.425 -12.446 1.00 0.00 H new ATOM 0 HA ASP A 68 2.019 -1.400 -12.187 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.366 0.285 -13.260 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.033 -1.374 -13.718 1.00 0.00 H new ATOM 1161 N THR A 69 4.295 -0.264 -10.218 1.00 0.00 N ATOM 1162 CA THR A 69 5.227 -0.702 -9.139 1.00 0.00 C ATOM 1163 C THR A 69 4.456 -1.106 -7.886 1.00 0.00 C ATOM 1164 O THR A 69 4.620 -2.190 -7.365 1.00 0.00 O ATOM 1165 CB THR A 69 6.077 0.517 -8.842 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.449 1.148 -10.059 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.328 0.105 -8.065 1.00 0.00 C ATOM 0 H THR A 69 4.140 0.742 -10.278 1.00 0.00 H new ATOM 0 HA THR A 69 5.817 -1.566 -9.444 1.00 0.00 H new ATOM 0 HB THR A 69 5.500 1.216 -8.237 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.997 1.937 -9.864 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.933 0.987 -7.856 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.035 -0.365 -7.126 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.909 -0.601 -8.658 1.00 0.00 H new ATOM 1175 N ALA A 70 3.614 -0.240 -7.399 1.00 0.00 N ATOM 1176 CA ALA A 70 2.835 -0.567 -6.183 1.00 0.00 C ATOM 1177 C ALA A 70 1.805 -1.619 -6.534 1.00 0.00 C ATOM 1178 O ALA A 70 1.439 -2.444 -5.722 1.00 0.00 O ATOM 1179 CB ALA A 70 2.162 0.741 -5.772 1.00 0.00 C ATOM 0 H ALA A 70 3.434 0.683 -7.795 1.00 0.00 H new ATOM 0 HA ALA A 70 3.449 -0.962 -5.374 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.565 0.577 -4.875 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.924 1.494 -5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.516 1.087 -6.579 1.00 0.00 H new ATOM 1185 N ARG A 71 1.357 -1.622 -7.755 1.00 0.00 N ATOM 1186 CA ARG A 71 0.380 -2.642 -8.161 1.00 0.00 C ATOM 1187 C ARG A 71 1.086 -3.982 -8.125 1.00 0.00 C ATOM 1188 O ARG A 71 0.529 -4.984 -7.723 1.00 0.00 O ATOM 1189 CB ARG A 71 -0.035 -2.286 -9.589 1.00 0.00 C ATOM 1190 CG ARG A 71 -1.090 -3.284 -10.070 1.00 0.00 C ATOM 1191 CD ARG A 71 -0.887 -3.564 -11.561 1.00 0.00 C ATOM 1192 NE ARG A 71 -2.265 -3.644 -12.125 1.00 0.00 N ATOM 1193 CZ ARG A 71 -2.997 -2.562 -12.265 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -2.532 -1.386 -11.925 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -4.204 -2.659 -12.749 1.00 0.00 N ATOM 0 H ARG A 71 1.629 -0.960 -8.482 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.497 -2.685 -7.515 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.434 -1.272 -9.622 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.832 -2.309 -10.249 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.015 -4.211 -9.502 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.089 -2.884 -9.897 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.310 -2.771 -12.037 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.341 -4.494 -11.718 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.644 -4.549 -12.405 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.589 -1.301 -11.545 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.113 -0.555 -12.040 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.575 -3.571 -13.016 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.778 -1.823 -12.860 1.00 0.00 H new ATOM 1209 N ARG A 72 2.334 -3.997 -8.512 1.00 0.00 N ATOM 1210 CA ARG A 72 3.089 -5.258 -8.479 1.00 0.00 C ATOM 1211 C ARG A 72 3.245 -5.685 -7.014 1.00 0.00 C ATOM 1212 O ARG A 72 3.365 -6.853 -6.700 1.00 0.00 O ATOM 1213 CB ARG A 72 4.427 -4.907 -9.166 1.00 0.00 C ATOM 1214 CG ARG A 72 5.592 -5.679 -8.546 1.00 0.00 C ATOM 1215 CD ARG A 72 6.619 -6.010 -9.631 1.00 0.00 C ATOM 1216 NE ARG A 72 7.674 -4.964 -9.493 1.00 0.00 N ATOM 1217 CZ ARG A 72 8.495 -4.699 -10.482 1.00 0.00 C ATOM 1218 NH1 ARG A 72 8.405 -5.334 -11.625 1.00 0.00 N ATOM 1219 NH2 ARG A 72 9.416 -3.787 -10.325 1.00 0.00 N ATOM 0 H ARG A 72 2.853 -3.185 -8.847 1.00 0.00 H new ATOM 0 HA ARG A 72 2.616 -6.098 -8.987 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.362 -5.135 -10.230 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.612 -3.836 -9.081 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.057 -5.086 -7.759 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.229 -6.596 -8.082 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.032 -7.009 -9.492 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.167 -5.987 -10.623 1.00 0.00 H new ATOM 0 HE ARG A 72 7.758 -4.448 -8.617 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.688 -6.047 -11.757 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.052 -5.115 -12.383 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.493 -3.287 -9.439 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.059 -3.574 -11.088 1.00 0.00 H new ATOM 1233 N LEU A 73 3.228 -4.736 -6.119 1.00 0.00 N ATOM 1234 CA LEU A 73 3.354 -5.055 -4.684 1.00 0.00 C ATOM 1235 C LEU A 73 1.976 -5.371 -4.117 1.00 0.00 C ATOM 1236 O LEU A 73 1.839 -6.180 -3.224 1.00 0.00 O ATOM 1237 CB LEU A 73 3.948 -3.805 -4.041 1.00 0.00 C ATOM 1238 CG LEU A 73 5.265 -3.462 -4.738 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.647 -2.014 -4.429 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.364 -4.398 -4.238 1.00 0.00 C ATOM 0 H LEU A 73 3.131 -3.743 -6.332 1.00 0.00 H new ATOM 0 HA LEU A 73 3.985 -5.924 -4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.250 -2.972 -4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.118 -3.974 -2.978 1.00 0.00 H new ATOM 0 HG LEU A 73 5.147 -3.582 -5.815 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.586 -1.771 -4.927 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.863 -1.347 -4.787 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.764 -1.891 -3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.303 -4.154 -4.734 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.481 -4.279 -3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.093 -5.430 -4.461 1.00 0.00 H new ATOM 1252 N LEU A 74 0.942 -4.776 -4.656 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.415 -5.107 -4.162 1.00 0.00 C ATOM 1254 C LEU A 74 -0.702 -6.546 -4.587 1.00 0.00 C ATOM 1255 O LEU A 74 -1.418 -7.278 -3.935 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.373 -4.122 -4.842 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.185 -2.729 -4.251 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -1.981 -1.714 -5.073 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -1.680 -2.716 -2.803 1.00 0.00 C ATOM 0 H LEU A 74 0.983 -4.086 -5.406 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.521 -5.029 -3.080 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.185 -4.100 -5.916 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.404 -4.449 -4.705 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.128 -2.465 -4.274 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.847 -0.718 -4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.626 -1.722 -6.104 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.038 -1.978 -5.052 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.545 -1.720 -2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.737 -2.981 -2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.111 -3.438 -2.217 1.00 0.00 H new ATOM 1271 N ARG A 75 -0.098 -6.959 -5.676 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.270 -8.347 -6.161 1.00 0.00 C ATOM 1273 C ARG A 75 0.608 -9.257 -5.319 1.00 0.00 C ATOM 1274 O ARG A 75 0.306 -10.413 -5.095 1.00 0.00 O ATOM 1275 CB ARG A 75 0.228 -8.324 -7.606 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.942 -8.556 -8.560 1.00 0.00 C ATOM 1277 CD ARG A 75 -0.477 -8.316 -9.999 1.00 0.00 C ATOM 1278 NE ARG A 75 0.137 -9.606 -10.430 1.00 0.00 N ATOM 1279 CZ ARG A 75 -0.613 -10.628 -10.772 1.00 0.00 C ATOM 1280 NH1 ARG A 75 -1.919 -10.546 -10.740 1.00 0.00 N ATOM 1281 NH2 ARG A 75 -0.048 -11.741 -11.152 1.00 0.00 N ATOM 0 H ARG A 75 0.513 -6.378 -6.250 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.298 -8.704 -6.097 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.701 -7.366 -7.822 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.986 -9.094 -7.751 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.318 -9.573 -8.452 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.765 -7.884 -8.315 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.313 -8.043 -10.643 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.244 -7.500 -10.049 1.00 0.00 H new ATOM 0 HE ARG A 75 1.153 -9.695 -10.459 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.369 -9.679 -10.446 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.487 -11.349 -11.009 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.969 -11.812 -11.182 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.623 -12.540 -11.419 1.00 0.00 H new ATOM 1295 N GLN A 76 1.702 -8.729 -4.849 1.00 0.00 N ATOM 1296 CA GLN A 76 2.616 -9.528 -4.021 1.00 0.00 C ATOM 1297 C GLN A 76 2.077 -9.612 -2.607 1.00 0.00 C ATOM 1298 O GLN A 76 2.211 -10.608 -1.927 1.00 0.00 O ATOM 1299 CB GLN A 76 3.928 -8.764 -4.084 1.00 0.00 C ATOM 1300 CG GLN A 76 5.086 -9.709 -3.776 1.00 0.00 C ATOM 1301 CD GLN A 76 5.342 -10.595 -4.993 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.407 -11.803 -4.878 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.491 -10.040 -6.163 1.00 0.00 N ATOM 0 H GLN A 76 1.997 -7.766 -5.011 1.00 0.00 H new ATOM 0 HA GLN A 76 2.735 -10.557 -4.361 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.057 -8.324 -5.073 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.916 -7.942 -3.369 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.982 -9.139 -3.530 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.850 -10.323 -2.907 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.436 -9.026 -6.257 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.663 -10.620 -6.984 1.00 0.00 H new ATOM 1312 N ALA A 77 1.441 -8.575 -2.182 1.00 0.00 N ATOM 1313 CA ALA A 77 0.846 -8.574 -0.827 1.00 0.00 C ATOM 1314 C ALA A 77 -0.340 -9.551 -0.781 1.00 0.00 C ATOM 1315 O ALA A 77 -0.873 -9.846 0.271 1.00 0.00 O ATOM 1316 CB ALA A 77 0.373 -7.136 -0.606 1.00 0.00 C ATOM 0 H ALA A 77 1.304 -7.717 -2.717 1.00 0.00 H new ATOM 0 HA ALA A 77 1.551 -8.889 -0.057 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.082 -7.050 0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.224 -6.459 -0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.360 -6.873 -1.368 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.754 -10.059 -1.919 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.898 -11.017 -1.947 1.00 0.00 C ATOM 1324 C GLY A 78 -3.214 -10.243 -2.051 1.00 0.00 C ATOM 1325 O GLY A 78 -4.118 -10.438 -1.265 1.00 0.00 O ATOM 0 H GLY A 78 -0.346 -9.849 -2.830 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.796 -11.696 -2.794 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.895 -11.629 -1.045 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.331 -9.360 -3.008 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.587 -8.574 -3.144 1.00 0.00 C ATOM 1331 C VAL A 79 -5.310 -8.891 -4.461 1.00 0.00 C ATOM 1332 O VAL A 79 -6.356 -8.343 -4.744 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.151 -7.114 -3.129 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.385 -6.209 -3.142 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.326 -6.828 -1.871 1.00 0.00 C ATOM 0 H VAL A 79 -2.611 -9.151 -3.699 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.286 -8.811 -2.342 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.543 -6.916 -4.011 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.071 -5.165 -3.131 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.969 -6.403 -4.042 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.995 -6.413 -2.262 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.018 -5.782 -1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.929 -7.031 -0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.443 -7.466 -1.862 1.00 0.00 H new