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 169:sc= -0.524 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 180:sc= 0 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 -127:sc= 0.0322 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 67 THR OG1 : rot 160:sc= -1.82! USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.462 X(o=-0.46,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -9.069 8.064 -7.200 1.00 0.00 N ATOM 21 CA VAL A 2 -8.174 7.539 -6.128 1.00 0.00 C ATOM 22 C VAL A 2 -7.030 6.730 -6.743 1.00 0.00 C ATOM 23 O VAL A 2 -7.237 5.896 -7.601 1.00 0.00 O ATOM 24 CB VAL A 2 -9.064 6.636 -5.274 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.237 6.032 -4.138 1.00 0.00 C ATOM 26 CG2 VAL A 2 -10.212 7.459 -4.686 1.00 0.00 C ATOM 0 HA VAL A 2 -7.721 8.339 -5.542 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.470 5.836 -5.893 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.871 5.388 -3.529 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.419 5.445 -4.556 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.831 6.832 -3.519 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.847 6.815 -4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.806 8.259 -4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.802 7.890 -5.495 1.00 0.00 H new ATOM 36 N LYS A 3 -5.822 6.966 -6.307 1.00 0.00 N ATOM 37 CA LYS A 3 -4.669 6.206 -6.867 1.00 0.00 C ATOM 38 C LYS A 3 -3.758 5.714 -5.738 1.00 0.00 C ATOM 39 O LYS A 3 -3.345 6.474 -4.880 1.00 0.00 O ATOM 40 CB LYS A 3 -3.927 7.201 -7.761 1.00 0.00 C ATOM 41 CG LYS A 3 -4.651 7.317 -9.104 1.00 0.00 C ATOM 42 CD LYS A 3 -3.921 8.326 -9.992 1.00 0.00 C ATOM 43 CE LYS A 3 -2.495 7.838 -10.257 1.00 0.00 C ATOM 44 NZ LYS A 3 -2.339 7.897 -11.737 1.00 0.00 N ATOM 0 H LYS A 3 -5.585 7.651 -5.589 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.990 5.325 -7.422 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.879 8.176 -7.276 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.900 6.871 -7.917 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.687 6.344 -9.595 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.682 7.634 -8.947 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.455 8.450 -10.934 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.898 9.302 -9.508 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.762 8.470 -9.757 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.349 6.824 -9.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.385 7.577 -11.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -3.046 7.280 -12.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -2.477 8.875 -12.062 1.00 0.00 H new ATOM 58 N ILE A 4 -3.443 4.447 -5.735 1.00 0.00 N ATOM 59 CA ILE A 4 -2.559 3.897 -4.673 1.00 0.00 C ATOM 60 C ILE A 4 -1.170 3.685 -5.264 1.00 0.00 C ATOM 61 O ILE A 4 -1.026 3.167 -6.350 1.00 0.00 O ATOM 62 CB ILE A 4 -3.179 2.561 -4.218 1.00 0.00 C ATOM 63 CG1 ILE A 4 -4.717 2.567 -4.339 1.00 0.00 C ATOM 64 CG2 ILE A 4 -2.797 2.306 -2.763 1.00 0.00 C ATOM 65 CD1 ILE A 4 -5.295 3.874 -3.787 1.00 0.00 C ATOM 0 H ILE A 4 -3.762 3.768 -6.426 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.469 4.570 -3.820 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.794 1.774 -4.867 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.006 2.448 -5.383 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -5.134 1.720 -3.794 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -3.232 1.363 -2.433 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -1.712 2.256 -2.675 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.174 3.117 -2.140 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -6.381 3.860 -3.881 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.023 3.977 -2.737 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.893 4.716 -4.350 1.00 0.00 H new ATOM 77 N ARG A 5 -0.145 4.096 -4.580 1.00 0.00 N ATOM 78 CA ARG A 5 1.216 3.920 -5.145 1.00 0.00 C ATOM 79 C ARG A 5 2.249 3.770 -4.035 1.00 0.00 C ATOM 80 O ARG A 5 1.936 3.865 -2.866 1.00 0.00 O ATOM 81 CB ARG A 5 1.477 5.187 -5.967 1.00 0.00 C ATOM 82 CG ARG A 5 1.581 6.402 -5.039 1.00 0.00 C ATOM 83 CD ARG A 5 1.966 7.640 -5.853 1.00 0.00 C ATOM 84 NE ARG A 5 3.330 7.346 -6.385 1.00 0.00 N ATOM 85 CZ ARG A 5 3.977 8.233 -7.105 1.00 0.00 C ATOM 86 NH1 ARG A 5 3.451 9.405 -7.364 1.00 0.00 N ATOM 87 NH2 ARG A 5 5.163 7.944 -7.568 1.00 0.00 N ATOM 0 H ARG A 5 -0.188 4.542 -3.664 1.00 0.00 H new ATOM 0 HA ARG A 5 1.289 3.019 -5.754 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.398 5.076 -6.539 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.672 5.336 -6.686 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.630 6.568 -4.534 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.326 6.218 -4.265 1.00 0.00 H new ATOM 0 HD2 ARG A 5 1.257 7.816 -6.662 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.970 8.535 -5.231 1.00 0.00 H new ATOM 0 HE ARG A 5 3.764 6.445 -6.187 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.526 9.639 -7.005 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.967 10.083 -7.925 1.00 0.00 H new ATOM 0 HH21 ARG A 5 5.580 7.035 -7.370 1.00 0.00 H new ATOM 0 HH22 ARG A 5 5.672 8.628 -8.128 1.00 0.00 H new ATOM 101 N LEU A 6 3.483 3.561 -4.393 1.00 0.00 N ATOM 102 CA LEU A 6 4.532 3.432 -3.353 1.00 0.00 C ATOM 103 C LEU A 6 5.102 4.820 -3.049 1.00 0.00 C ATOM 104 O LEU A 6 5.416 5.585 -3.938 1.00 0.00 O ATOM 105 CB LEU A 6 5.597 2.502 -3.940 1.00 0.00 C ATOM 106 CG LEU A 6 6.246 3.145 -5.163 1.00 0.00 C ATOM 107 CD1 LEU A 6 7.579 3.776 -4.760 1.00 0.00 C ATOM 108 CD2 LEU A 6 6.493 2.070 -6.224 1.00 0.00 C ATOM 0 H LEU A 6 3.807 3.475 -5.356 1.00 0.00 H new ATOM 0 HA LEU A 6 4.151 3.024 -2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.356 2.287 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.145 1.550 -4.218 1.00 0.00 H new ATOM 0 HG LEU A 6 5.587 3.915 -5.565 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.043 4.235 -5.633 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.406 4.537 -3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.240 3.007 -4.361 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.957 2.523 -7.100 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.154 1.304 -5.819 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.544 1.616 -6.510 1.00 0.00 H new ATOM 120 N ALA A 7 5.211 5.151 -1.796 1.00 0.00 N ATOM 121 CA ALA A 7 5.730 6.487 -1.405 1.00 0.00 C ATOM 122 C ALA A 7 7.203 6.364 -1.032 1.00 0.00 C ATOM 123 O ALA A 7 7.661 5.300 -0.707 1.00 0.00 O ATOM 124 CB ALA A 7 4.897 6.848 -0.180 1.00 0.00 C ATOM 0 H ALA A 7 4.959 4.544 -1.016 1.00 0.00 H new ATOM 0 HA ALA A 7 5.659 7.235 -2.195 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.202 7.826 0.192 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.842 6.877 -0.453 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.050 6.100 0.598 1.00 0.00 H new ATOM 130 N ARG A 8 7.954 7.428 -1.084 1.00 0.00 N ATOM 131 CA ARG A 8 9.396 7.320 -0.740 1.00 0.00 C ATOM 132 C ARG A 8 9.777 8.298 0.375 1.00 0.00 C ATOM 133 O ARG A 8 9.839 9.494 0.172 1.00 0.00 O ATOM 134 CB ARG A 8 10.136 7.668 -2.032 1.00 0.00 C ATOM 135 CG ARG A 8 11.631 7.390 -1.861 1.00 0.00 C ATOM 136 CD ARG A 8 12.387 8.715 -1.746 1.00 0.00 C ATOM 137 NE ARG A 8 12.485 9.227 -3.145 1.00 0.00 N ATOM 138 CZ ARG A 8 12.862 10.461 -3.384 1.00 0.00 C ATOM 139 NH1 ARG A 8 13.173 11.272 -2.403 1.00 0.00 N ATOM 140 NH2 ARG A 8 12.930 10.885 -4.616 1.00 0.00 N ATOM 0 H ARG A 8 7.634 8.360 -1.348 1.00 0.00 H new ATOM 0 HA ARG A 8 9.647 6.326 -0.371 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.739 7.080 -2.859 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.978 8.717 -2.282 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.800 6.785 -0.970 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.005 6.818 -2.710 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.856 9.418 -1.105 1.00 0.00 H new ATOM 0 HD3 ARG A 8 13.375 8.569 -1.309 1.00 0.00 H new ATOM 0 HE ARG A 8 12.256 8.610 -3.924 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.124 10.947 -1.437 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.464 12.228 -2.605 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.691 10.259 -5.385 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.222 11.843 -4.810 1.00 0.00 H new ATOM 276 N TYR A 17 9.522 2.677 1.677 1.00 0.00 N ATOM 277 CA TYR A 17 8.395 3.328 0.972 1.00 0.00 C ATOM 278 C TYR A 17 7.087 2.789 1.543 1.00 0.00 C ATOM 279 O TYR A 17 7.096 1.850 2.307 1.00 0.00 O ATOM 280 CB TYR A 17 8.516 2.849 -0.471 1.00 0.00 C ATOM 281 CG TYR A 17 9.736 3.413 -1.151 1.00 0.00 C ATOM 282 CD1 TYR A 17 11.015 3.046 -0.723 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.584 4.283 -2.236 1.00 0.00 C ATOM 284 CE1 TYR A 17 12.143 3.554 -1.375 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.708 4.789 -2.892 1.00 0.00 C ATOM 286 CZ TYR A 17 11.991 4.425 -2.462 1.00 0.00 C ATOM 287 OH TYR A 17 13.103 4.924 -3.108 1.00 0.00 O ATOM 0 HA TYR A 17 8.411 4.414 1.066 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.561 1.760 -0.489 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.624 3.140 -1.026 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.132 2.370 0.111 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.595 4.564 -2.567 1.00 0.00 H new ATOM 0 HE1 TYR A 17 13.131 3.275 -1.041 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.589 5.460 -3.730 1.00 0.00 H new ATOM 0 HH TYR A 17 12.828 5.366 -3.939 1.00 0.00 H new ATOM 297 N ARG A 18 5.963 3.332 1.157 1.00 0.00 N ATOM 298 CA ARG A 18 4.684 2.778 1.657 1.00 0.00 C ATOM 299 C ARG A 18 3.705 2.713 0.495 1.00 0.00 C ATOM 300 O ARG A 18 3.748 3.525 -0.402 1.00 0.00 O ATOM 301 CB ARG A 18 4.194 3.736 2.743 1.00 0.00 C ATOM 302 CG ARG A 18 4.213 3.030 4.101 1.00 0.00 C ATOM 303 CD ARG A 18 3.854 4.028 5.204 1.00 0.00 C ATOM 304 NE ARG A 18 5.041 4.051 6.107 1.00 0.00 N ATOM 305 CZ ARG A 18 4.976 4.615 7.291 1.00 0.00 C ATOM 306 NH1 ARG A 18 3.869 5.173 7.712 1.00 0.00 N ATOM 307 NH2 ARG A 18 6.032 4.622 8.058 1.00 0.00 N ATOM 0 H ARG A 18 5.881 4.127 0.523 1.00 0.00 H new ATOM 0 HA ARG A 18 4.789 1.774 2.067 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.829 4.621 2.774 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.184 4.076 2.513 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.504 2.202 4.101 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.199 2.606 4.288 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.653 5.017 4.791 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.957 3.718 5.740 1.00 0.00 H new ATOM 0 HE ARG A 18 5.915 3.623 5.801 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.040 5.174 7.117 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.835 5.607 8.635 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.899 4.192 7.736 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.990 5.058 8.979 1.00 0.00 H new ATOM 321 N ILE A 19 2.792 1.793 0.515 1.00 0.00 N ATOM 322 CA ILE A 19 1.801 1.731 -0.574 1.00 0.00 C ATOM 323 C ILE A 19 0.623 2.465 0.015 1.00 0.00 C ATOM 324 O ILE A 19 -0.222 1.918 0.694 1.00 0.00 O ATOM 325 CB ILE A 19 1.491 0.251 -0.861 1.00 0.00 C ATOM 326 CG1 ILE A 19 2.559 -0.700 -0.304 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.460 0.038 -2.368 1.00 0.00 C ATOM 328 CD1 ILE A 19 3.919 -0.312 -0.874 1.00 0.00 C ATOM 0 H ILE A 19 2.692 1.082 1.240 1.00 0.00 H new ATOM 0 HA ILE A 19 2.113 2.166 -1.523 1.00 0.00 H new ATOM 0 HB ILE A 19 0.537 0.031 -0.382 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.579 -0.647 0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.320 -1.730 -0.569 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.241 -1.008 -2.583 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.688 0.669 -2.809 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.429 0.301 -2.793 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.683 -0.984 -0.482 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.893 -0.387 -1.961 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.155 0.713 -0.587 1.00 0.00 H new ATOM 340 N VAL A 20 0.673 3.747 -0.146 1.00 0.00 N ATOM 341 CA VAL A 20 -0.307 4.637 0.487 1.00 0.00 C ATOM 342 C VAL A 20 -1.419 5.036 -0.487 1.00 0.00 C ATOM 343 O VAL A 20 -1.355 4.766 -1.671 1.00 0.00 O ATOM 344 CB VAL A 20 0.604 5.802 0.944 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.482 7.028 0.040 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.281 6.176 2.383 1.00 0.00 C ATOM 0 H VAL A 20 1.377 4.225 -0.709 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.873 4.203 1.311 1.00 0.00 H new ATOM 0 HB VAL A 20 1.635 5.456 0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.141 7.816 0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.766 6.759 -0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.548 7.385 0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.925 6.996 2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.762 6.486 2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.448 5.314 3.029 1.00 0.00 H new ATOM 356 N VAL A 21 -2.459 5.631 0.024 1.00 0.00 N ATOM 357 CA VAL A 21 -3.615 5.996 -0.845 1.00 0.00 C ATOM 358 C VAL A 21 -3.761 7.516 -0.944 1.00 0.00 C ATOM 359 O VAL A 21 -4.257 8.161 -0.043 1.00 0.00 O ATOM 360 CB VAL A 21 -4.856 5.381 -0.165 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.917 5.121 -1.216 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.517 4.049 0.509 1.00 0.00 C ATOM 0 H VAL A 21 -2.560 5.882 1.008 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.483 5.625 -1.861 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.211 6.082 0.591 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.798 4.686 -0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.190 6.060 -1.698 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.527 4.430 -1.963 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.412 3.641 0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.147 3.347 -0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.750 4.209 1.267 1.00 0.00 H new ATOM 372 N THR A 22 -3.341 8.090 -2.039 1.00 0.00 N ATOM 373 CA THR A 22 -3.461 9.570 -2.194 1.00 0.00 C ATOM 374 C THR A 22 -4.058 9.916 -3.558 1.00 0.00 C ATOM 375 O THR A 22 -4.471 9.052 -4.306 1.00 0.00 O ATOM 376 CB THR A 22 -2.031 10.116 -2.079 1.00 0.00 C ATOM 377 OG1 THR A 22 -2.016 11.476 -2.490 1.00 0.00 O ATOM 378 CG2 THR A 22 -1.082 9.305 -2.966 1.00 0.00 C ATOM 0 H THR A 22 -2.922 7.602 -2.830 1.00 0.00 H new ATOM 0 HA THR A 22 -4.118 10.003 -1.440 1.00 0.00 H new ATOM 0 HB THR A 22 -1.700 10.037 -1.043 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.105 11.830 -2.417 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.071 9.702 -2.876 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.092 8.262 -2.651 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.407 9.373 -4.004 1.00 0.00 H new ATOM 543 N TYR A 32 -1.612 11.630 2.087 1.00 0.00 N ATOM 544 CA TYR A 32 -2.564 10.651 1.484 1.00 0.00 C ATOM 545 C TYR A 32 -3.782 10.470 2.389 1.00 0.00 C ATOM 546 O TYR A 32 -3.777 10.860 3.541 1.00 0.00 O ATOM 547 CB TYR A 32 -1.788 9.335 1.384 1.00 0.00 C ATOM 548 CG TYR A 32 -1.207 8.987 2.733 1.00 0.00 C ATOM 549 CD1 TYR A 32 -2.045 8.533 3.758 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.168 9.120 2.959 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.508 8.210 5.009 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.706 8.798 4.211 1.00 0.00 C ATOM 553 CZ TYR A 32 -0.132 8.343 5.236 1.00 0.00 C ATOM 554 OH TYR A 32 0.398 8.024 6.471 1.00 0.00 O ATOM 0 HA TYR A 32 -2.927 10.987 0.513 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.448 8.537 1.044 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.991 9.426 0.646 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.106 8.432 3.583 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.814 9.471 2.168 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.154 7.858 5.800 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.767 8.901 4.386 1.00 0.00 H new ATOM 0 HH TYR A 32 1.367 8.172 6.459 1.00 0.00 H new ATOM 564 N ILE A 33 -4.822 9.872 1.881 1.00 0.00 N ATOM 565 CA ILE A 33 -6.035 9.655 2.714 1.00 0.00 C ATOM 566 C ILE A 33 -5.694 8.731 3.886 1.00 0.00 C ATOM 567 O ILE A 33 -5.849 9.088 5.038 1.00 0.00 O ATOM 568 CB ILE A 33 -7.045 8.990 1.773 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.474 9.989 0.697 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.274 8.542 2.568 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.056 9.470 -0.680 1.00 0.00 C ATOM 0 H ILE A 33 -4.884 9.524 0.924 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.428 10.579 3.138 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.582 8.122 1.303 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.554 10.133 0.730 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.017 10.960 0.885 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.990 8.070 1.895 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.971 7.829 3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.737 9.408 3.041 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.362 10.183 -1.446 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.973 9.348 -0.710 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.534 8.509 -0.867 1.00 0.00 H new ATOM 583 N GLU A 34 -5.228 7.546 3.600 1.00 0.00 N ATOM 584 CA GLU A 34 -4.875 6.599 4.693 1.00 0.00 C ATOM 585 C GLU A 34 -3.658 5.761 4.288 1.00 0.00 C ATOM 586 O GLU A 34 -3.189 5.829 3.170 1.00 0.00 O ATOM 587 CB GLU A 34 -6.107 5.707 4.856 1.00 0.00 C ATOM 588 CG GLU A 34 -7.207 6.472 5.599 1.00 0.00 C ATOM 589 CD GLU A 34 -8.540 5.730 5.460 1.00 0.00 C ATOM 590 OE1 GLU A 34 -8.536 4.633 4.926 1.00 0.00 O ATOM 591 OE2 GLU A 34 -9.543 6.275 5.890 1.00 0.00 O ATOM 0 H GLU A 34 -5.077 7.193 2.655 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.617 7.112 5.620 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.469 5.389 3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.843 4.804 5.407 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.945 6.573 6.652 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.298 7.480 5.195 1.00 0.00 H new ATOM 598 N LYS A 35 -3.147 4.965 5.189 1.00 0.00 N ATOM 599 CA LYS A 35 -1.965 4.117 4.855 1.00 0.00 C ATOM 600 C LYS A 35 -2.388 2.646 4.800 1.00 0.00 C ATOM 601 O LYS A 35 -2.794 2.073 5.792 1.00 0.00 O ATOM 602 CB LYS A 35 -0.975 4.353 5.996 1.00 0.00 C ATOM 603 CG LYS A 35 0.365 3.701 5.654 1.00 0.00 C ATOM 604 CD LYS A 35 0.360 2.247 6.128 1.00 0.00 C ATOM 605 CE LYS A 35 1.519 2.021 7.102 1.00 0.00 C ATOM 606 NZ LYS A 35 0.932 1.232 8.221 1.00 0.00 N ATOM 0 H LYS A 35 -3.497 4.865 6.142 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.529 4.364 3.887 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.840 5.422 6.159 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.367 3.937 6.924 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.538 3.744 4.579 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.179 4.247 6.130 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.588 2.016 6.614 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.453 1.575 5.275 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.337 1.481 6.624 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.927 2.967 7.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.667 1.037 8.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.161 1.774 8.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.558 0.334 7.854 1.00 0.00 H new ATOM 620 N ILE A 36 -2.308 2.031 3.651 1.00 0.00 N ATOM 621 CA ILE A 36 -2.726 0.596 3.551 1.00 0.00 C ATOM 622 C ILE A 36 -1.528 -0.313 3.359 1.00 0.00 C ATOM 623 O ILE A 36 -1.473 -1.401 3.899 1.00 0.00 O ATOM 624 CB ILE A 36 -3.648 0.522 2.338 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.872 0.922 1.069 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.829 1.466 2.561 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.814 0.964 -0.131 1.00 0.00 C ATOM 0 H ILE A 36 -1.975 2.452 2.783 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.222 0.265 4.464 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.017 -0.496 2.209 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.407 1.898 1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.068 0.209 0.885 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.497 1.423 1.701 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.372 1.164 3.457 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.462 2.485 2.685 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.255 1.248 -1.023 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.258 -0.020 -0.279 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.602 1.694 0.051 1.00 0.00 H new ATOM 639 N GLY A 37 -0.587 0.096 2.572 1.00 0.00 N ATOM 640 CA GLY A 37 0.577 -0.778 2.330 1.00 0.00 C ATOM 641 C GLY A 37 1.855 -0.217 2.939 1.00 0.00 C ATOM 642 O GLY A 37 1.947 0.940 3.296 1.00 0.00 O ATOM 0 H GLY A 37 -0.573 0.994 2.088 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.381 -1.765 2.748 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.715 -0.908 1.257 1.00 0.00 H new ATOM 646 N TYR A 38 2.858 -1.048 2.996 1.00 0.00 N ATOM 647 CA TYR A 38 4.192 -0.625 3.508 1.00 0.00 C ATOM 648 C TYR A 38 5.268 -1.286 2.641 1.00 0.00 C ATOM 649 O TYR A 38 5.271 -2.490 2.469 1.00 0.00 O ATOM 650 CB TYR A 38 4.270 -1.134 4.947 1.00 0.00 C ATOM 651 CG TYR A 38 5.613 -0.765 5.534 1.00 0.00 C ATOM 652 CD1 TYR A 38 5.881 0.563 5.889 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.589 -1.751 5.729 1.00 0.00 C ATOM 654 CE1 TYR A 38 7.124 0.904 6.436 1.00 0.00 C ATOM 655 CE2 TYR A 38 7.831 -1.408 6.277 1.00 0.00 C ATOM 656 CZ TYR A 38 8.098 -0.081 6.631 1.00 0.00 C ATOM 657 OH TYR A 38 9.323 0.256 7.171 1.00 0.00 O ATOM 0 H TYR A 38 2.808 -2.024 2.703 1.00 0.00 H new ATOM 0 HA TYR A 38 4.338 0.455 3.475 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.468 -0.699 5.543 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.134 -2.215 4.971 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.129 1.324 5.741 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.383 -2.776 5.457 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.331 1.929 6.708 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.583 -2.168 6.427 1.00 0.00 H new ATOM 0 HH TYR A 38 9.882 -0.546 7.240 1.00 0.00 H new ATOM 667 N TYR A 39 6.178 -0.530 2.086 1.00 0.00 N ATOM 668 CA TYR A 39 7.229 -1.163 1.236 1.00 0.00 C ATOM 669 C TYR A 39 8.616 -0.924 1.849 1.00 0.00 C ATOM 670 O TYR A 39 8.912 0.149 2.334 1.00 0.00 O ATOM 671 CB TYR A 39 7.127 -0.487 -0.135 1.00 0.00 C ATOM 672 CG TYR A 39 8.261 -0.958 -1.022 1.00 0.00 C ATOM 673 CD1 TYR A 39 9.549 -0.437 -0.856 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.021 -1.924 -2.006 1.00 0.00 C ATOM 675 CE1 TYR A 39 10.595 -0.882 -1.672 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.067 -2.368 -2.824 1.00 0.00 C ATOM 677 CZ TYR A 39 10.355 -1.847 -2.656 1.00 0.00 C ATOM 678 OH TYR A 39 11.387 -2.286 -3.460 1.00 0.00 O ATOM 0 H TYR A 39 6.240 0.484 2.182 1.00 0.00 H new ATOM 0 HA TYR A 39 7.089 -2.241 1.158 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.169 -0.723 -0.597 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.167 0.596 -0.021 1.00 0.00 H new ATOM 0 HD1 TYR A 39 9.736 0.309 -0.098 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.027 -2.328 -2.135 1.00 0.00 H new ATOM 0 HE1 TYR A 39 11.589 -0.480 -1.542 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.880 -3.112 -3.584 1.00 0.00 H new ATOM 0 HH TYR A 39 11.049 -2.957 -4.089 1.00 0.00 H new ATOM 688 N ASP A 40 9.472 -1.908 1.818 1.00 0.00 N ATOM 689 CA ASP A 40 10.840 -1.724 2.386 1.00 0.00 C ATOM 690 C ASP A 40 11.874 -2.419 1.490 1.00 0.00 C ATOM 691 O ASP A 40 11.976 -3.627 1.491 1.00 0.00 O ATOM 692 CB ASP A 40 10.787 -2.384 3.764 1.00 0.00 C ATOM 693 CG ASP A 40 11.634 -1.575 4.749 1.00 0.00 C ATOM 694 OD1 ASP A 40 11.745 -0.375 4.558 1.00 0.00 O ATOM 695 OD2 ASP A 40 12.157 -2.169 5.678 1.00 0.00 O ATOM 0 H ASP A 40 9.285 -2.830 1.425 1.00 0.00 H new ATOM 0 HA ASP A 40 11.129 -0.675 2.452 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.756 -2.439 4.114 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.158 -3.407 3.704 1.00 0.00 H new ATOM 838 N LEU A 49 7.748 -6.609 1.615 1.00 0.00 N ATOM 839 CA LEU A 49 6.397 -6.060 1.300 1.00 0.00 C ATOM 840 C LEU A 49 5.407 -6.355 2.431 1.00 0.00 C ATOM 841 O LEU A 49 5.185 -7.492 2.799 1.00 0.00 O ATOM 842 CB LEU A 49 5.973 -6.778 0.021 1.00 0.00 C ATOM 843 CG LEU A 49 4.780 -6.054 -0.600 1.00 0.00 C ATOM 844 CD1 LEU A 49 5.086 -5.730 -2.062 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.544 -6.953 -0.526 1.00 0.00 C ATOM 0 HA LEU A 49 6.416 -4.977 1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.803 -6.805 -0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.709 -7.812 0.243 1.00 0.00 H new ATOM 0 HG LEU A 49 4.591 -5.130 -0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.235 -5.213 -2.506 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.967 -5.091 -2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.274 -6.655 -2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.692 -6.437 -0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.733 -7.877 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.325 -7.186 0.516 1.00 0.00 H new ATOM 857 N LYS A 50 4.802 -5.333 2.971 1.00 0.00 N ATOM 858 CA LYS A 50 3.811 -5.532 4.067 1.00 0.00 C ATOM 859 C LYS A 50 2.563 -4.701 3.775 1.00 0.00 C ATOM 860 O LYS A 50 2.549 -3.501 3.969 1.00 0.00 O ATOM 861 CB LYS A 50 4.505 -5.026 5.333 1.00 0.00 C ATOM 862 CG LYS A 50 5.654 -5.964 5.699 1.00 0.00 C ATOM 863 CD LYS A 50 5.809 -6.011 7.220 1.00 0.00 C ATOM 864 CE LYS A 50 6.978 -5.119 7.644 1.00 0.00 C ATOM 865 NZ LYS A 50 8.183 -5.989 7.541 1.00 0.00 N ATOM 0 H LYS A 50 4.953 -4.362 2.698 1.00 0.00 H new ATOM 0 HA LYS A 50 3.500 -6.572 4.169 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.884 -4.016 5.173 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.791 -4.972 6.154 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.459 -6.964 5.312 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.580 -5.619 5.239 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.890 -5.676 7.700 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.983 -7.036 7.547 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.064 -4.247 6.996 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.844 -4.749 8.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.027 -5.447 7.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.075 -6.807 8.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.289 -6.321 6.561 1.00 0.00 H new ATOM 879 N VAL A 51 1.519 -5.317 3.291 1.00 0.00 N ATOM 880 CA VAL A 51 0.292 -4.533 2.975 1.00 0.00 C ATOM 881 C VAL A 51 -0.948 -5.162 3.603 1.00 0.00 C ATOM 882 O VAL A 51 -1.191 -6.347 3.484 1.00 0.00 O ATOM 883 CB VAL A 51 0.196 -4.545 1.427 1.00 0.00 C ATOM 884 CG1 VAL A 51 -1.265 -4.624 0.945 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.794 -3.263 0.870 1.00 0.00 C ATOM 0 H VAL A 51 1.462 -6.318 3.102 1.00 0.00 H new ATOM 0 HA VAL A 51 0.347 -3.521 3.375 1.00 0.00 H new ATOM 0 HB VAL A 51 0.738 -5.424 1.077 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.289 -4.630 -0.145 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.724 -5.537 1.323 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.817 -3.760 1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.726 -3.272 -0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.245 -2.406 1.260 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.840 -3.190 1.168 1.00 0.00 H new ATOM 895 N ASP A 52 -1.772 -4.353 4.194 1.00 0.00 N ATOM 896 CA ASP A 52 -3.039 -4.880 4.740 1.00 0.00 C ATOM 897 C ASP A 52 -3.964 -5.060 3.543 1.00 0.00 C ATOM 898 O ASP A 52 -4.897 -4.304 3.357 1.00 0.00 O ATOM 899 CB ASP A 52 -3.565 -3.793 5.680 1.00 0.00 C ATOM 900 CG ASP A 52 -4.496 -4.420 6.719 1.00 0.00 C ATOM 901 OD1 ASP A 52 -5.295 -5.261 6.340 1.00 0.00 O ATOM 902 OD2 ASP A 52 -4.392 -4.051 7.877 1.00 0.00 O ATOM 0 H ASP A 52 -1.622 -3.352 4.321 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.947 -5.823 5.278 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.733 -3.294 6.177 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.099 -3.032 5.110 1.00 0.00 H new ATOM 907 N VAL A 53 -3.663 -6.029 2.699 1.00 0.00 N ATOM 908 CA VAL A 53 -4.470 -6.264 1.451 1.00 0.00 C ATOM 909 C VAL A 53 -5.960 -5.988 1.691 1.00 0.00 C ATOM 910 O VAL A 53 -6.655 -5.547 0.803 1.00 0.00 O ATOM 911 CB VAL A 53 -4.194 -7.728 1.016 1.00 0.00 C ATOM 912 CG1 VAL A 53 -4.063 -8.655 2.226 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.325 -8.241 0.114 1.00 0.00 C ATOM 0 H VAL A 53 -2.883 -6.674 2.825 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.180 -5.579 0.655 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.252 -7.732 0.467 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.870 -9.672 1.886 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.237 -8.320 2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.988 -8.634 2.802 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.116 -9.269 -0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.269 -8.205 0.658 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.394 -7.614 -0.775 1.00 0.00 H new ATOM 923 N GLU A 54 -6.451 -6.204 2.879 1.00 0.00 N ATOM 924 CA GLU A 54 -7.881 -5.899 3.132 1.00 0.00 C ATOM 925 C GLU A 54 -8.118 -4.413 2.875 1.00 0.00 C ATOM 926 O GLU A 54 -8.970 -4.033 2.097 1.00 0.00 O ATOM 927 CB GLU A 54 -8.124 -6.252 4.599 1.00 0.00 C ATOM 928 CG GLU A 54 -9.364 -7.139 4.713 1.00 0.00 C ATOM 929 CD GLU A 54 -10.544 -6.302 5.208 1.00 0.00 C ATOM 930 OE1 GLU A 54 -10.521 -5.905 6.362 1.00 0.00 O ATOM 931 OE2 GLU A 54 -11.451 -6.069 4.426 1.00 0.00 O ATOM 0 H GLU A 54 -5.930 -6.574 3.674 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.557 -6.458 2.485 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.256 -6.769 5.008 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.259 -5.343 5.185 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.599 -7.581 3.745 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.174 -7.962 5.402 1.00 0.00 H new ATOM 938 N ARG A 55 -7.347 -3.569 3.502 1.00 0.00 N ATOM 939 CA ARG A 55 -7.501 -2.111 3.271 1.00 0.00 C ATOM 940 C ARG A 55 -6.928 -1.770 1.898 1.00 0.00 C ATOM 941 O ARG A 55 -7.476 -0.982 1.162 1.00 0.00 O ATOM 942 CB ARG A 55 -6.700 -1.434 4.381 1.00 0.00 C ATOM 943 CG ARG A 55 -7.576 -1.300 5.626 1.00 0.00 C ATOM 944 CD ARG A 55 -8.109 0.130 5.732 1.00 0.00 C ATOM 945 NE ARG A 55 -6.898 0.974 5.949 1.00 0.00 N ATOM 946 CZ ARG A 55 -6.994 2.164 6.494 1.00 0.00 C ATOM 947 NH1 ARG A 55 -8.157 2.654 6.844 1.00 0.00 N ATOM 948 NH2 ARG A 55 -5.915 2.872 6.687 1.00 0.00 N ATOM 0 H ARG A 55 -6.617 -3.829 4.165 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.541 -1.784 3.289 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.809 -2.018 4.610 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.361 -0.451 4.053 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.406 -2.005 5.576 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.999 -1.550 6.516 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.638 0.423 4.825 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.813 0.229 6.558 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.983 0.621 5.670 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.006 2.109 6.694 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.214 3.581 7.266 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.005 2.500 6.415 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.981 3.798 7.110 1.00 0.00 H new ATOM 962 N ALA A 56 -5.848 -2.393 1.523 1.00 0.00 N ATOM 963 CA ALA A 56 -5.286 -2.132 0.180 1.00 0.00 C ATOM 964 C ALA A 56 -6.315 -2.612 -0.852 1.00 0.00 C ATOM 965 O ALA A 56 -6.288 -2.221 -2.002 1.00 0.00 O ATOM 966 CB ALA A 56 -3.977 -2.929 0.131 1.00 0.00 C ATOM 0 H ALA A 56 -5.335 -3.069 2.089 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.081 -1.083 -0.032 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.500 -2.785 -0.838 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.309 -2.581 0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.190 -3.988 0.277 1.00 0.00 H new ATOM 972 N ARG A 57 -7.254 -3.440 -0.431 1.00 0.00 N ATOM 973 CA ARG A 57 -8.302 -3.914 -1.364 1.00 0.00 C ATOM 974 C ARG A 57 -9.487 -2.936 -1.337 1.00 0.00 C ATOM 975 O ARG A 57 -10.216 -2.799 -2.299 1.00 0.00 O ATOM 976 CB ARG A 57 -8.722 -5.292 -0.846 1.00 0.00 C ATOM 977 CG ARG A 57 -9.888 -5.821 -1.682 1.00 0.00 C ATOM 978 CD ARG A 57 -9.569 -7.240 -2.158 1.00 0.00 C ATOM 979 NE ARG A 57 -10.463 -7.463 -3.332 1.00 0.00 N ATOM 980 CZ ARG A 57 -10.214 -8.422 -4.194 1.00 0.00 C ATOM 981 NH1 ARG A 57 -9.176 -9.208 -4.046 1.00 0.00 N ATOM 982 NH2 ARG A 57 -11.011 -8.594 -5.213 1.00 0.00 N ATOM 0 H ARG A 57 -7.327 -3.799 0.521 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.949 -3.973 -2.394 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.881 -5.983 -0.898 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.014 -5.224 0.202 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.803 -5.821 -1.090 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.062 -5.169 -2.538 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.520 -7.336 -2.437 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.759 -7.972 -1.373 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.277 -6.863 -3.466 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.548 -9.079 -3.253 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.996 -9.948 -4.724 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.821 -7.986 -5.336 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.824 -9.337 -5.887 1.00 0.00 H new ATOM 996 N TYR A 58 -9.654 -2.230 -0.245 1.00 0.00 N ATOM 997 CA TYR A 58 -10.752 -1.226 -0.143 1.00 0.00 C ATOM 998 C TYR A 58 -10.529 -0.216 -1.244 1.00 0.00 C ATOM 999 O TYR A 58 -11.419 0.212 -1.955 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.527 -0.581 1.237 1.00 0.00 C ATOM 1001 CG TYR A 58 -11.053 0.846 1.301 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.236 1.192 0.639 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.352 1.821 2.032 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.721 2.503 0.705 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.839 3.132 2.094 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.024 3.472 1.433 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.504 4.763 1.497 1.00 0.00 O ATOM 0 H TYR A 58 -9.069 -2.310 0.587 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.759 -1.631 -0.240 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.020 -1.182 2.001 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.462 -0.584 1.467 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.776 0.446 0.076 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.439 1.559 2.545 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.635 2.767 0.193 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.299 3.882 2.653 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.798 5.388 1.231 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.310 0.161 -1.349 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.902 1.153 -2.352 1.00 0.00 C ATOM 1019 C TRP A 59 -9.055 0.576 -3.743 1.00 0.00 C ATOM 1020 O TRP A 59 -9.818 1.068 -4.547 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.462 1.449 -1.973 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.554 2.213 -0.705 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -7.111 1.821 0.509 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.216 3.475 -0.512 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.422 2.807 1.432 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -8.113 3.848 0.844 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.876 4.329 -1.397 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.657 5.044 1.309 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.427 5.530 -0.938 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.320 5.889 0.411 1.00 0.00 C ATOM 0 H TRP A 59 -8.551 -0.187 -0.763 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.503 2.062 -2.366 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.891 0.530 -1.841 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.960 2.028 -2.748 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.600 0.894 0.725 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.172 2.769 2.420 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.962 4.062 -2.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.568 5.316 2.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.938 6.184 -1.629 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.749 6.817 0.759 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.382 -0.493 -4.025 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.546 -1.120 -5.363 1.00 0.00 C ATOM 1043 C LEU A 60 -10.037 -1.385 -5.606 1.00 0.00 C ATOM 1044 O LEU A 60 -10.483 -1.506 -6.730 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.765 -2.431 -5.298 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.338 -2.194 -5.790 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.402 -3.223 -5.157 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.296 -2.333 -7.314 1.00 0.00 C ATOM 0 H LEU A 60 -7.729 -0.961 -3.396 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.183 -0.489 -6.175 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.751 -2.809 -4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.252 -3.189 -5.912 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.017 -1.191 -5.507 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.384 -3.054 -5.508 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.433 -3.124 -4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.721 -4.227 -5.439 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.279 -2.164 -7.667 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.617 -3.336 -7.597 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.963 -1.598 -7.765 1.00 0.00 H new ATOM 1060 N SER A 61 -10.813 -1.464 -4.549 1.00 0.00 N ATOM 1061 CA SER A 61 -12.270 -1.704 -4.711 1.00 0.00 C ATOM 1062 C SER A 61 -12.991 -0.391 -5.046 1.00 0.00 C ATOM 1063 O SER A 61 -14.093 -0.397 -5.557 1.00 0.00 O ATOM 1064 CB SER A 61 -12.742 -2.258 -3.368 1.00 0.00 C ATOM 1065 OG SER A 61 -14.156 -2.406 -3.393 1.00 0.00 O ATOM 0 H SER A 61 -10.493 -1.372 -3.585 1.00 0.00 H new ATOM 0 HA SER A 61 -12.484 -2.396 -5.525 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.267 -3.219 -3.171 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.449 -1.586 -2.561 1.00 0.00 H new ATOM 0 HG SER A 61 -14.463 -2.763 -2.533 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.381 0.740 -4.774 1.00 0.00 N ATOM 1072 CA VAL A 62 -13.049 2.027 -5.096 1.00 0.00 C ATOM 1073 C VAL A 62 -12.504 2.559 -6.423 1.00 0.00 C ATOM 1074 O VAL A 62 -12.400 3.750 -6.640 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.718 2.993 -3.935 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -12.946 2.313 -2.581 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.256 3.464 -4.015 1.00 0.00 C ATOM 0 H VAL A 62 -11.458 0.820 -4.347 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.128 1.915 -5.202 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.381 3.853 -4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.707 3.011 -1.779 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.989 2.008 -2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.304 1.436 -2.502 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.047 4.143 -3.188 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.592 2.602 -3.954 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.092 3.982 -4.960 1.00 0.00 H new ATOM 1087 N GLY A 63 -12.146 1.672 -7.303 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.594 2.098 -8.620 1.00 0.00 C ATOM 1089 C GLY A 63 -10.212 2.719 -8.410 1.00 0.00 C ATOM 1090 O GLY A 63 -9.758 3.529 -9.194 1.00 0.00 O ATOM 0 H GLY A 63 -12.211 0.663 -7.168 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.523 1.243 -9.292 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.262 2.819 -9.092 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.537 2.347 -7.355 1.00 0.00 N ATOM 1095 CA ALA A 64 -8.188 2.915 -7.097 1.00 0.00 C ATOM 1096 C ALA A 64 -7.186 2.369 -8.116 1.00 0.00 C ATOM 1097 O ALA A 64 -7.058 1.174 -8.295 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.832 2.458 -5.683 1.00 0.00 C ATOM 0 H ALA A 64 -9.864 1.674 -6.662 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.167 4.001 -7.187 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.846 2.838 -5.415 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.571 2.841 -4.980 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.824 1.369 -5.644 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.479 3.232 -8.792 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.492 2.757 -9.803 1.00 0.00 C ATOM 1106 C GLN A 65 -4.095 2.649 -9.175 1.00 0.00 C ATOM 1107 O GLN A 65 -3.493 3.652 -8.842 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.504 3.826 -10.896 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.923 3.191 -12.224 1.00 0.00 C ATOM 1110 CD GLN A 65 -5.769 4.213 -13.350 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -6.135 5.361 -13.200 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -5.238 3.840 -14.483 1.00 0.00 N ATOM 0 H GLN A 65 -6.542 4.245 -8.688 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.742 1.770 -10.191 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.194 4.627 -10.629 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.516 4.276 -10.991 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.310 2.313 -12.429 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.957 2.851 -12.166 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.930 2.876 -14.609 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.131 4.513 -15.242 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.617 1.435 -9.028 1.00 0.00 N ATOM 1122 CA PRO A 66 -2.279 1.225 -8.435 1.00 0.00 C ATOM 1123 C PRO A 66 -1.186 1.449 -9.491 1.00 0.00 C ATOM 1124 O PRO A 66 -1.254 0.922 -10.584 1.00 0.00 O ATOM 1125 CB PRO A 66 -2.312 -0.232 -7.994 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.326 -0.898 -8.874 1.00 0.00 C ATOM 1127 CD PRO A 66 -4.265 0.166 -9.385 1.00 0.00 C ATOM 0 HA PRO A 66 -2.059 1.910 -7.617 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.332 -0.697 -8.104 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.589 -0.317 -6.943 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.836 -1.406 -9.705 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.876 -1.657 -8.317 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.409 0.084 -10.462 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.249 0.080 -8.925 1.00 0.00 H new ATOM 1135 N THR A 67 -0.179 2.222 -9.179 1.00 0.00 N ATOM 1136 CA THR A 67 0.909 2.467 -10.177 1.00 0.00 C ATOM 1137 C THR A 67 1.524 1.136 -10.622 1.00 0.00 C ATOM 1138 O THR A 67 1.404 0.140 -9.951 1.00 0.00 O ATOM 1139 CB THR A 67 1.945 3.320 -9.444 1.00 0.00 C ATOM 1140 OG1 THR A 67 2.049 2.885 -8.097 1.00 0.00 O ATOM 1141 CG2 THR A 67 1.517 4.787 -9.478 1.00 0.00 C ATOM 0 H THR A 67 -0.061 2.693 -8.282 1.00 0.00 H new ATOM 0 HA THR A 67 0.540 2.964 -11.074 1.00 0.00 H new ATOM 0 HB THR A 67 2.913 3.216 -9.934 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.902 3.187 -7.721 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.256 5.394 -8.955 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.441 5.120 -10.513 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.548 4.895 -8.990 1.00 0.00 H new ATOM 1149 N ASP A 68 2.171 1.112 -11.754 1.00 0.00 N ATOM 1150 CA ASP A 68 2.778 -0.163 -12.250 1.00 0.00 C ATOM 1151 C ASP A 68 3.677 -0.810 -11.189 1.00 0.00 C ATOM 1152 O ASP A 68 3.774 -2.017 -11.101 1.00 0.00 O ATOM 1153 CB ASP A 68 3.605 0.242 -13.471 1.00 0.00 C ATOM 1154 CG ASP A 68 2.733 0.181 -14.726 1.00 0.00 C ATOM 1155 OD1 ASP A 68 1.963 -0.758 -14.844 1.00 0.00 O ATOM 1156 OD2 ASP A 68 2.849 1.075 -15.548 1.00 0.00 O ATOM 0 H ASP A 68 2.308 1.920 -12.361 1.00 0.00 H new ATOM 0 HA ASP A 68 2.012 -0.901 -12.489 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.998 1.250 -13.338 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.462 -0.423 -13.579 1.00 0.00 H new ATOM 1161 N THR A 69 4.346 -0.023 -10.398 1.00 0.00 N ATOM 1162 CA THR A 69 5.251 -0.601 -9.361 1.00 0.00 C ATOM 1163 C THR A 69 4.476 -0.978 -8.100 1.00 0.00 C ATOM 1164 O THR A 69 4.604 -2.070 -7.582 1.00 0.00 O ATOM 1165 CB THR A 69 6.217 0.519 -9.033 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.643 1.152 -10.233 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.427 -0.029 -8.274 1.00 0.00 C ATOM 0 H THR A 69 4.308 0.996 -10.422 1.00 0.00 H new ATOM 0 HA THR A 69 5.741 -1.507 -9.719 1.00 0.00 H new ATOM 0 HB THR A 69 5.710 1.249 -8.402 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.266 1.877 -10.017 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.113 0.787 -8.045 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.094 -0.495 -7.346 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.937 -0.770 -8.889 1.00 0.00 H new ATOM 1175 N ALA A 70 3.681 -0.078 -7.593 1.00 0.00 N ATOM 1176 CA ALA A 70 2.913 -0.383 -6.363 1.00 0.00 C ATOM 1177 C ALA A 70 1.818 -1.384 -6.691 1.00 0.00 C ATOM 1178 O ALA A 70 1.348 -2.111 -5.839 1.00 0.00 O ATOM 1179 CB ALA A 70 2.316 0.948 -5.916 1.00 0.00 C ATOM 0 H ALA A 70 3.532 0.854 -7.980 1.00 0.00 H new ATOM 0 HA ALA A 70 3.531 -0.820 -5.579 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.732 0.798 -5.008 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.119 1.659 -5.718 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.670 1.339 -6.702 1.00 0.00 H new ATOM 1185 N ARG A 71 1.425 -1.446 -7.933 1.00 0.00 N ATOM 1186 CA ARG A 71 0.388 -2.418 -8.316 1.00 0.00 C ATOM 1187 C ARG A 71 1.013 -3.796 -8.247 1.00 0.00 C ATOM 1188 O ARG A 71 0.391 -4.759 -7.844 1.00 0.00 O ATOM 1189 CB ARG A 71 -0.008 -2.074 -9.754 1.00 0.00 C ATOM 1190 CG ARG A 71 -1.035 -3.088 -10.264 1.00 0.00 C ATOM 1191 CD ARG A 71 -0.306 -4.276 -10.900 1.00 0.00 C ATOM 1192 NE ARG A 71 -1.238 -4.795 -11.943 1.00 0.00 N ATOM 1193 CZ ARG A 71 -1.492 -4.101 -13.028 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -0.954 -2.921 -13.213 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -2.293 -4.593 -13.933 1.00 0.00 N ATOM 0 H ARG A 71 1.781 -0.863 -8.691 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.489 -2.393 -7.669 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.425 -1.068 -9.796 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.873 -2.081 -10.395 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.663 -3.431 -9.442 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.694 -2.619 -10.994 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.643 -3.967 -11.339 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.080 -5.042 -10.158 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.684 -5.703 -11.811 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.328 -2.530 -12.509 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.161 -2.394 -14.061 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.717 -5.510 -13.795 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.495 -4.060 -14.779 1.00 0.00 H new ATOM 1209 N ARG A 72 2.266 -3.891 -8.609 1.00 0.00 N ATOM 1210 CA ARG A 72 2.940 -5.196 -8.542 1.00 0.00 C ATOM 1211 C ARG A 72 3.077 -5.578 -7.065 1.00 0.00 C ATOM 1212 O ARG A 72 3.006 -6.733 -6.696 1.00 0.00 O ATOM 1213 CB ARG A 72 4.291 -4.955 -9.246 1.00 0.00 C ATOM 1214 CG ARG A 72 5.409 -5.779 -8.606 1.00 0.00 C ATOM 1215 CD ARG A 72 6.379 -6.259 -9.689 1.00 0.00 C ATOM 1216 NE ARG A 72 7.726 -6.215 -9.050 1.00 0.00 N ATOM 1217 CZ ARG A 72 8.371 -5.080 -8.914 1.00 0.00 C ATOM 1218 NH1 ARG A 72 7.838 -3.950 -9.308 1.00 0.00 N ATOM 1219 NH2 ARG A 72 9.558 -5.076 -8.373 1.00 0.00 N ATOM 0 H ARG A 72 2.840 -3.118 -8.945 1.00 0.00 H new ATOM 0 HA ARG A 72 2.414 -6.021 -9.022 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.204 -5.214 -10.301 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.544 -3.896 -9.198 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.941 -5.178 -7.868 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.987 -6.634 -8.077 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.132 -7.268 -10.020 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.338 -5.616 -10.568 1.00 0.00 H new ATOM 0 HE ARG A 72 8.152 -7.079 -8.714 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.908 -3.944 -9.728 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.353 -3.077 -9.195 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.978 -5.951 -8.059 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.066 -4.198 -8.264 1.00 0.00 H new ATOM 1233 N LEU A 73 3.258 -4.601 -6.220 1.00 0.00 N ATOM 1234 CA LEU A 73 3.381 -4.880 -4.775 1.00 0.00 C ATOM 1235 C LEU A 73 2.007 -5.202 -4.210 1.00 0.00 C ATOM 1236 O LEU A 73 1.872 -5.985 -3.291 1.00 0.00 O ATOM 1237 CB LEU A 73 3.944 -3.599 -4.161 1.00 0.00 C ATOM 1238 CG LEU A 73 5.258 -3.241 -4.857 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.605 -1.778 -4.578 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.376 -4.139 -4.328 1.00 0.00 C ATOM 0 H LEU A 73 3.326 -3.616 -6.477 1.00 0.00 H new ATOM 0 HA LEU A 73 4.027 -5.731 -4.561 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.228 -2.785 -4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.111 -3.737 -3.093 1.00 0.00 H new ATOM 0 HG LEU A 73 5.150 -3.389 -5.932 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.542 -1.525 -5.075 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.809 -1.137 -4.956 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.712 -1.628 -3.504 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.313 -3.884 -4.824 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.483 -3.992 -3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.131 -5.182 -4.529 1.00 0.00 H new ATOM 1252 N LEU A 74 0.975 -4.637 -4.778 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.382 -4.961 -4.289 1.00 0.00 C ATOM 1254 C LEU A 74 -0.656 -6.415 -4.649 1.00 0.00 C ATOM 1255 O LEU A 74 -1.353 -7.127 -3.955 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.327 -4.015 -5.030 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.365 -2.666 -4.310 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -2.322 -1.727 -5.040 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -1.850 -2.864 -2.872 1.00 0.00 C ATOM 0 H LEU A 74 1.018 -3.973 -5.551 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.505 -4.841 -3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.992 -3.881 -6.059 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.328 -4.444 -5.074 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.364 -2.234 -4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.350 -0.765 -4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.979 -1.582 -6.065 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.321 -2.162 -5.050 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.876 -1.902 -2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.850 -3.297 -2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.169 -3.535 -2.348 1.00 0.00 H new ATOM 1271 N ARG A 75 -0.058 -6.868 -5.718 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.220 -8.280 -6.127 1.00 0.00 C ATOM 1273 C ARG A 75 0.674 -9.126 -5.228 1.00 0.00 C ATOM 1274 O ARG A 75 0.377 -10.261 -4.909 1.00 0.00 O ATOM 1275 CB ARG A 75 0.264 -8.328 -7.578 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.523 -9.388 -8.348 1.00 0.00 C ATOM 1277 CD ARG A 75 0.005 -10.777 -7.986 1.00 0.00 C ATOM 1278 NE ARG A 75 1.448 -10.749 -8.361 1.00 0.00 N ATOM 1279 CZ ARG A 75 2.265 -11.696 -7.964 1.00 0.00 C ATOM 1280 NH1 ARG A 75 1.835 -12.694 -7.234 1.00 0.00 N ATOM 1281 NH2 ARG A 75 3.524 -11.644 -8.305 1.00 0.00 N ATOM 0 H ARG A 75 0.540 -6.309 -6.327 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.241 -8.652 -6.044 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.135 -7.353 -8.047 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.329 -8.558 -7.609 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.583 -9.316 -8.107 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.428 -9.219 -9.421 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.123 -10.984 -6.923 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.529 -11.557 -8.529 1.00 0.00 H new ATOM 0 HE ARG A 75 1.805 -9.984 -8.934 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.852 -12.743 -6.966 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.483 -13.422 -6.933 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.866 -10.871 -8.876 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.166 -12.376 -8.000 1.00 0.00 H new ATOM 1295 N GLN A 76 1.768 -8.554 -4.803 1.00 0.00 N ATOM 1296 CA GLN A 76 2.696 -9.271 -3.908 1.00 0.00 C ATOM 1297 C GLN A 76 2.137 -9.270 -2.497 1.00 0.00 C ATOM 1298 O GLN A 76 2.368 -10.168 -1.713 1.00 0.00 O ATOM 1299 CB GLN A 76 3.987 -8.470 -4.000 1.00 0.00 C ATOM 1300 CG GLN A 76 5.176 -9.367 -3.669 1.00 0.00 C ATOM 1301 CD GLN A 76 5.570 -10.165 -4.912 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.718 -11.370 -4.855 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.746 -9.539 -6.044 1.00 0.00 N ATOM 0 H GLN A 76 2.055 -7.606 -5.047 1.00 0.00 H new ATOM 0 HA GLN A 76 2.850 -10.316 -4.179 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.099 -8.057 -5.003 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.953 -7.627 -3.310 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.018 -8.764 -3.329 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.919 -10.044 -2.854 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.622 -8.528 -6.092 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.008 -10.061 -6.880 1.00 0.00 H new ATOM 1312 N ALA A 77 1.382 -8.269 -2.187 1.00 0.00 N ATOM 1313 CA ALA A 77 0.764 -8.184 -0.843 1.00 0.00 C ATOM 1314 C ALA A 77 -0.309 -9.269 -0.683 1.00 0.00 C ATOM 1315 O ALA A 77 -0.838 -9.476 0.391 1.00 0.00 O ATOM 1316 CB ALA A 77 0.120 -6.804 -0.802 1.00 0.00 C ATOM 0 H ALA A 77 1.162 -7.494 -2.813 1.00 0.00 H new ATOM 0 HA ALA A 77 1.490 -8.330 -0.044 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.363 -6.657 0.164 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.885 -6.041 -0.945 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.623 -6.726 -1.595 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.644 -9.957 -1.744 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.689 -11.015 -1.648 1.00 0.00 C ATOM 1324 C GLY A 78 -3.065 -10.400 -1.927 1.00 0.00 C ATOM 1325 O GLY A 78 -4.066 -10.833 -1.391 1.00 0.00 O ATOM 0 H GLY A 78 -0.238 -9.831 -2.671 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.483 -11.811 -2.363 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.675 -11.466 -0.656 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.123 -9.391 -2.757 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.431 -8.752 -3.063 1.00 0.00 C ATOM 1331 C VAL A 79 -5.070 -9.394 -4.298 1.00 0.00 C ATOM 1332 O VAL A 79 -6.115 -10.010 -4.219 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.117 -7.286 -3.330 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.417 -6.521 -3.582 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.396 -6.682 -2.122 1.00 0.00 C ATOM 0 H VAL A 79 -2.319 -8.984 -3.235 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.138 -8.873 -2.242 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.475 -7.211 -4.207 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.191 -5.472 -3.773 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.927 -6.945 -4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.061 -6.600 -2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.174 -5.633 -2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.034 -6.759 -1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.466 -7.223 -1.945 1.00 0.00 H new