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 165:sc=-0.00758 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.293 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 180:sc= 0 USER MOD Single : A 61 SER OG : rot 76:sc= 1.14 USER MOD Single : A 65 GLN : amide:sc= -0.0788 X(o=-0.079,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.27 USER MOD Single : A 69 THR OG1 : rot -41:sc= 0.223! USER MOD Single : A 76 GLN : amide:sc= -0.583 X(o=-0.58,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.805 7.742 -6.714 1.00 0.00 N ATOM 21 CA VAL A 2 -7.681 7.510 -5.764 1.00 0.00 C ATOM 22 C VAL A 2 -6.572 6.701 -6.445 1.00 0.00 C ATOM 23 O VAL A 2 -6.812 5.973 -7.387 1.00 0.00 O ATOM 24 CB VAL A 2 -8.300 6.722 -4.608 1.00 0.00 C ATOM 25 CG1 VAL A 2 -7.214 6.357 -3.595 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.368 7.580 -3.925 1.00 0.00 C ATOM 0 HA VAL A 2 -7.225 8.439 -5.422 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.755 5.809 -4.993 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.657 5.796 -2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.453 5.747 -4.082 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -6.757 7.268 -3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -9.811 7.021 -3.101 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.911 8.492 -3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.143 7.838 -4.646 1.00 0.00 H new ATOM 36 N LYS A 3 -5.359 6.828 -5.983 1.00 0.00 N ATOM 37 CA LYS A 3 -4.238 6.069 -6.612 1.00 0.00 C ATOM 38 C LYS A 3 -3.269 5.555 -5.541 1.00 0.00 C ATOM 39 O LYS A 3 -2.858 6.288 -4.663 1.00 0.00 O ATOM 40 CB LYS A 3 -3.541 7.083 -7.521 1.00 0.00 C ATOM 41 CG LYS A 3 -4.531 7.600 -8.566 1.00 0.00 C ATOM 42 CD LYS A 3 -3.787 7.900 -9.871 1.00 0.00 C ATOM 43 CE LYS A 3 -4.747 7.755 -11.053 1.00 0.00 C ATOM 44 NZ LYS A 3 -4.716 9.079 -11.737 1.00 0.00 N ATOM 0 H LYS A 3 -5.094 7.423 -5.198 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.590 5.196 -7.161 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.155 7.913 -6.929 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.687 6.618 -8.013 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.311 6.859 -8.742 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.024 8.501 -8.201 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.377 8.910 -9.844 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.945 7.217 -9.987 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -4.430 6.956 -11.724 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.754 7.508 -10.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.351 9.059 -12.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.029 9.819 -11.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -3.746 9.284 -12.052 1.00 0.00 H new ATOM 58 N ILE A 4 -2.886 4.307 -5.613 1.00 0.00 N ATOM 59 CA ILE A 4 -1.931 3.768 -4.609 1.00 0.00 C ATOM 60 C ILE A 4 -0.535 3.657 -5.243 1.00 0.00 C ATOM 61 O ILE A 4 -0.376 3.125 -6.324 1.00 0.00 O ATOM 62 CB ILE A 4 -2.500 2.403 -4.196 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.651 2.618 -3.208 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.419 1.547 -3.526 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.382 1.296 -2.978 1.00 0.00 C ATOM 0 H ILE A 4 -3.194 3.642 -6.323 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.819 4.408 -3.734 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.856 1.887 -5.088 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.266 3.002 -2.263 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.343 3.365 -3.597 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.842 0.584 -3.241 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.596 1.389 -4.223 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.049 2.058 -2.637 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.201 1.450 -2.275 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.781 0.931 -3.925 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.687 0.562 -2.570 1.00 0.00 H new ATOM 77 N ARG A 5 0.475 4.167 -4.584 1.00 0.00 N ATOM 78 CA ARG A 5 1.849 4.101 -5.157 1.00 0.00 C ATOM 79 C ARG A 5 2.898 4.065 -4.042 1.00 0.00 C ATOM 80 O ARG A 5 2.581 3.873 -2.886 1.00 0.00 O ATOM 81 CB ARG A 5 1.997 5.369 -6.002 1.00 0.00 C ATOM 82 CG ARG A 5 1.936 6.602 -5.098 1.00 0.00 C ATOM 83 CD ARG A 5 2.061 7.867 -5.951 1.00 0.00 C ATOM 84 NE ARG A 5 3.024 8.738 -5.217 1.00 0.00 N ATOM 85 CZ ARG A 5 4.316 8.515 -5.277 1.00 0.00 C ATOM 86 NH1 ARG A 5 4.798 7.520 -5.979 1.00 0.00 N ATOM 87 NH2 ARG A 5 5.133 9.298 -4.629 1.00 0.00 N ATOM 0 H ARG A 5 0.405 4.625 -3.675 1.00 0.00 H new ATOM 0 HA ARG A 5 1.998 3.200 -5.752 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.943 5.349 -6.542 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.204 5.414 -6.749 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.997 6.615 -4.545 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.739 6.566 -4.362 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.425 7.633 -6.952 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.096 8.359 -6.070 1.00 0.00 H new ATOM 0 HE ARG A 5 2.674 9.518 -4.661 1.00 0.00 H new ATOM 0 HH11 ARG A 5 4.166 6.904 -6.490 1.00 0.00 H new ATOM 0 HH12 ARG A 5 5.805 7.362 -6.014 1.00 0.00 H new ATOM 0 HH21 ARG A 5 4.766 10.076 -4.081 1.00 0.00 H new ATOM 0 HH22 ARG A 5 6.139 9.132 -4.670 1.00 0.00 H new ATOM 101 N LEU A 6 4.149 4.259 -4.380 1.00 0.00 N ATOM 102 CA LEU A 6 5.218 4.231 -3.336 1.00 0.00 C ATOM 103 C LEU A 6 5.437 5.618 -2.737 1.00 0.00 C ATOM 104 O LEU A 6 5.689 6.580 -3.437 1.00 0.00 O ATOM 105 CB LEU A 6 6.498 3.787 -4.060 1.00 0.00 C ATOM 106 CG LEU A 6 6.550 2.263 -4.205 1.00 0.00 C ATOM 107 CD1 LEU A 6 7.926 1.855 -4.737 1.00 0.00 C ATOM 108 CD2 LEU A 6 6.316 1.587 -2.849 1.00 0.00 C ATOM 0 H LEU A 6 4.475 4.435 -5.330 1.00 0.00 H new ATOM 0 HA LEU A 6 4.944 3.562 -2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.541 4.251 -5.045 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.371 4.133 -3.506 1.00 0.00 H new ATOM 0 HG LEU A 6 5.769 1.948 -4.897 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.969 0.771 -4.842 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.093 2.321 -5.708 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.697 2.182 -4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.356 0.505 -2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.088 1.902 -2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.337 1.873 -2.464 1.00 0.00 H new ATOM 120 N ALA A 7 5.363 5.719 -1.442 1.00 0.00 N ATOM 121 CA ALA A 7 5.587 7.029 -0.775 1.00 0.00 C ATOM 122 C ALA A 7 7.016 7.075 -0.223 1.00 0.00 C ATOM 123 O ALA A 7 7.324 6.453 0.767 1.00 0.00 O ATOM 124 CB ALA A 7 4.569 7.046 0.358 1.00 0.00 C ATOM 0 H ALA A 7 5.155 4.944 -0.812 1.00 0.00 H new ATOM 0 HA ALA A 7 5.472 7.883 -1.442 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.657 7.980 0.912 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.564 6.963 -0.055 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.757 6.207 1.028 1.00 0.00 H new ATOM 130 N ARG A 8 7.898 7.782 -0.872 1.00 0.00 N ATOM 131 CA ARG A 8 9.311 7.832 -0.397 1.00 0.00 C ATOM 132 C ARG A 8 9.478 8.731 0.837 1.00 0.00 C ATOM 133 O ARG A 8 9.129 9.894 0.822 1.00 0.00 O ATOM 134 CB ARG A 8 10.092 8.413 -1.573 1.00 0.00 C ATOM 135 CG ARG A 8 11.578 8.086 -1.409 1.00 0.00 C ATOM 136 CD ARG A 8 12.306 9.304 -0.836 1.00 0.00 C ATOM 137 NE ARG A 8 12.149 10.365 -1.871 1.00 0.00 N ATOM 138 CZ ARG A 8 12.462 11.614 -1.611 1.00 0.00 C ATOM 139 NH1 ARG A 8 12.918 11.961 -0.433 1.00 0.00 N ATOM 140 NH2 ARG A 8 12.317 12.522 -2.536 1.00 0.00 N ATOM 0 H ARG A 8 7.703 8.328 -1.711 1.00 0.00 H new ATOM 0 HA ARG A 8 9.658 6.844 -0.095 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.719 8.001 -2.510 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.949 9.493 -1.621 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.702 7.229 -0.747 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.009 7.810 -2.371 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.872 9.612 0.115 1.00 0.00 H new ATOM 0 HD3 ARG A 8 13.358 9.085 -0.651 1.00 0.00 H new ATOM 0 HE ARG A 8 11.793 10.118 -2.794 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.034 11.258 0.296 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.157 12.935 -0.245 1.00 0.00 H new ATOM 0 HH21 ARG A 8 11.962 12.261 -3.456 1.00 0.00 H new ATOM 0 HH22 ARG A 8 12.558 13.493 -2.339 1.00 0.00 H new ATOM 276 N TYR A 17 9.596 2.848 1.212 1.00 0.00 N ATOM 277 CA TYR A 17 8.416 3.591 0.723 1.00 0.00 C ATOM 278 C TYR A 17 7.167 2.892 1.219 1.00 0.00 C ATOM 279 O TYR A 17 7.142 1.685 1.334 1.00 0.00 O ATOM 280 CB TYR A 17 8.430 3.452 -0.791 1.00 0.00 C ATOM 281 CG TYR A 17 9.658 4.053 -1.412 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.913 3.476 -1.198 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.531 5.168 -2.242 1.00 0.00 C ATOM 284 CE1 TYR A 17 12.042 4.018 -1.814 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.658 5.714 -2.856 1.00 0.00 C ATOM 286 CZ TYR A 17 11.917 5.140 -2.645 1.00 0.00 C ATOM 287 OH TYR A 17 13.032 5.675 -3.255 1.00 0.00 O ATOM 0 HA TYR A 17 8.433 4.629 1.055 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.372 2.396 -1.056 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.544 3.934 -1.205 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.009 2.612 -0.557 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.559 5.608 -2.409 1.00 0.00 H new ATOM 0 HE1 TYR A 17 13.012 3.573 -1.650 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.559 6.580 -3.494 1.00 0.00 H new ATOM 0 HH TYR A 17 12.753 6.283 -3.971 1.00 0.00 H new ATOM 297 N ARG A 18 6.116 3.604 1.454 1.00 0.00 N ATOM 298 CA ARG A 18 4.884 2.913 1.862 1.00 0.00 C ATOM 299 C ARG A 18 4.016 2.829 0.624 1.00 0.00 C ATOM 300 O ARG A 18 4.114 3.659 -0.259 1.00 0.00 O ATOM 301 CB ARG A 18 4.249 3.775 2.954 1.00 0.00 C ATOM 302 CG ARG A 18 3.592 2.881 4.001 1.00 0.00 C ATOM 303 CD ARG A 18 2.225 3.450 4.381 1.00 0.00 C ATOM 304 NE ARG A 18 2.527 4.627 5.248 1.00 0.00 N ATOM 305 CZ ARG A 18 2.897 4.466 6.496 1.00 0.00 C ATOM 306 NH1 ARG A 18 3.028 3.269 7.012 1.00 0.00 N ATOM 307 NH2 ARG A 18 3.143 5.513 7.235 1.00 0.00 N ATOM 0 H ARG A 18 6.057 4.620 1.382 1.00 0.00 H new ATOM 0 HA ARG A 18 5.039 1.908 2.254 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.008 4.402 3.422 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.508 4.444 2.517 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.480 1.870 3.610 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.227 2.813 4.885 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.660 3.745 3.497 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.624 2.712 4.912 1.00 0.00 H new ATOM 0 HE ARG A 18 2.445 5.569 4.865 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.841 2.444 6.441 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.317 3.162 7.984 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.047 6.449 6.841 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.431 5.395 8.206 1.00 0.00 H new ATOM 321 N ILE A 19 3.154 1.877 0.549 1.00 0.00 N ATOM 322 CA ILE A 19 2.276 1.799 -0.627 1.00 0.00 C ATOM 323 C ILE A 19 1.020 2.459 -0.127 1.00 0.00 C ATOM 324 O ILE A 19 0.150 1.839 0.429 1.00 0.00 O ATOM 325 CB ILE A 19 2.073 0.314 -0.969 1.00 0.00 C ATOM 326 CG1 ILE A 19 3.250 -0.559 -0.491 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.979 0.154 -2.482 1.00 0.00 C ATOM 328 CD1 ILE A 19 2.933 -2.031 -0.768 1.00 0.00 C ATOM 0 H ILE A 19 3.018 1.149 1.250 1.00 0.00 H new ATOM 0 HA ILE A 19 2.645 2.273 -1.536 1.00 0.00 H new ATOM 0 HB ILE A 19 1.161 -0.008 -0.466 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.166 -0.269 -1.006 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.422 -0.406 0.574 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.835 -0.898 -2.728 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.136 0.733 -2.857 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.899 0.512 -2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.763 -2.652 -0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.027 -2.315 -0.233 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.783 -2.176 -1.838 1.00 0.00 H new ATOM 340 N VAL A 20 1.012 3.752 -0.204 1.00 0.00 N ATOM 341 CA VAL A 20 -0.087 4.541 0.387 1.00 0.00 C ATOM 342 C VAL A 20 -1.130 4.949 -0.662 1.00 0.00 C ATOM 343 O VAL A 20 -0.970 4.706 -1.841 1.00 0.00 O ATOM 344 CB VAL A 20 0.683 5.727 1.014 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.594 6.991 0.160 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.148 6.014 2.409 1.00 0.00 C ATOM 0 H VAL A 20 1.737 4.305 -0.661 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.693 4.005 1.118 1.00 0.00 H new ATOM 0 HB VAL A 20 1.733 5.439 1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.150 7.795 0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.019 6.795 -0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.450 7.285 0.053 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.695 6.850 2.844 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.911 6.266 2.348 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.276 5.132 3.036 1.00 0.00 H new ATOM 356 N VAL A 21 -2.218 5.526 -0.223 1.00 0.00 N ATOM 357 CA VAL A 21 -3.302 5.905 -1.171 1.00 0.00 C ATOM 358 C VAL A 21 -3.440 7.426 -1.268 1.00 0.00 C ATOM 359 O VAL A 21 -3.974 8.068 -0.387 1.00 0.00 O ATOM 360 CB VAL A 21 -4.606 5.305 -0.600 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.471 4.835 -1.756 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.345 4.099 0.303 1.00 0.00 C ATOM 0 H VAL A 21 -2.401 5.751 0.755 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.083 5.532 -2.172 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.093 6.081 -0.009 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.396 4.408 -1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.704 5.681 -2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.934 4.078 -2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.293 3.714 0.679 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.838 3.321 -0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.718 4.401 1.142 1.00 0.00 H new ATOM 372 N THR A 22 -2.984 8.005 -2.345 1.00 0.00 N ATOM 373 CA THR A 22 -3.112 9.484 -2.509 1.00 0.00 C ATOM 374 C THR A 22 -3.735 9.807 -3.870 1.00 0.00 C ATOM 375 O THR A 22 -4.104 8.923 -4.618 1.00 0.00 O ATOM 376 CB THR A 22 -1.689 10.053 -2.415 1.00 0.00 C ATOM 377 OG1 THR A 22 -1.687 11.393 -2.891 1.00 0.00 O ATOM 378 CG2 THR A 22 -0.715 9.213 -3.250 1.00 0.00 C ATOM 0 H THR A 22 -2.529 7.520 -3.118 1.00 0.00 H new ATOM 0 HA THR A 22 -3.757 9.919 -1.745 1.00 0.00 H new ATOM 0 HB THR A 22 -1.368 10.026 -1.374 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.780 11.760 -2.831 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.288 9.632 -3.170 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.710 8.188 -2.881 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.030 9.221 -4.294 1.00 0.00 H new ATOM 543 N TYR A 32 -1.486 11.729 1.321 1.00 0.00 N ATOM 544 CA TYR A 32 -2.405 10.635 0.882 1.00 0.00 C ATOM 545 C TYR A 32 -3.645 10.605 1.773 1.00 0.00 C ATOM 546 O TYR A 32 -3.756 11.345 2.730 1.00 0.00 O ATOM 547 CB TYR A 32 -1.617 9.329 1.044 1.00 0.00 C ATOM 548 CG TYR A 32 -1.020 9.255 2.431 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.843 9.016 3.536 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.358 9.430 2.607 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.289 8.949 4.820 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.913 9.364 3.890 1.00 0.00 C ATOM 553 CZ TYR A 32 0.090 9.124 4.997 1.00 0.00 C ATOM 554 OH TYR A 32 0.642 9.059 6.263 1.00 0.00 O ATOM 0 HA TYR A 32 -2.736 10.781 -0.146 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.273 8.475 0.875 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.826 9.276 0.295 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.906 8.883 3.399 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.992 9.616 1.753 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.924 8.763 5.673 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.976 9.498 4.026 1.00 0.00 H new ATOM 0 HH TYR A 32 1.610 9.201 6.206 1.00 0.00 H new ATOM 564 N ILE A 33 -4.573 9.742 1.473 1.00 0.00 N ATOM 565 CA ILE A 33 -5.803 9.647 2.308 1.00 0.00 C ATOM 566 C ILE A 33 -5.542 8.705 3.487 1.00 0.00 C ATOM 567 O ILE A 33 -5.814 9.025 4.628 1.00 0.00 O ATOM 568 CB ILE A 33 -6.866 9.072 1.368 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.219 10.116 0.307 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.124 8.716 2.162 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.090 9.493 -1.085 1.00 0.00 C ATOM 0 H ILE A 33 -4.534 9.097 0.684 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.115 10.604 2.726 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.475 8.174 0.890 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.235 10.478 0.462 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.557 10.977 0.394 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.876 8.307 1.488 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.877 7.975 2.922 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.516 9.612 2.643 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.341 10.237 -1.841 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.066 9.152 -1.238 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.771 8.646 -1.169 1.00 0.00 H new ATOM 583 N GLU A 34 -5.006 7.547 3.215 1.00 0.00 N ATOM 584 CA GLU A 34 -4.712 6.577 4.309 1.00 0.00 C ATOM 585 C GLU A 34 -3.562 5.658 3.891 1.00 0.00 C ATOM 586 O GLU A 34 -3.114 5.682 2.761 1.00 0.00 O ATOM 587 CB GLU A 34 -6.002 5.775 4.488 1.00 0.00 C ATOM 588 CG GLU A 34 -6.759 6.287 5.715 1.00 0.00 C ATOM 589 CD GLU A 34 -6.178 5.647 6.977 1.00 0.00 C ATOM 590 OE1 GLU A 34 -5.143 6.108 7.428 1.00 0.00 O ATOM 591 OE2 GLU A 34 -6.778 4.706 7.470 1.00 0.00 O ATOM 0 H GLU A 34 -4.758 7.229 2.278 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.412 7.070 5.234 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.626 5.867 3.599 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.770 4.716 4.607 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.682 7.373 5.776 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.819 6.047 5.628 1.00 0.00 H new ATOM 598 N LYS A 35 -3.078 4.846 4.789 1.00 0.00 N ATOM 599 CA LYS A 35 -1.960 3.926 4.435 1.00 0.00 C ATOM 600 C LYS A 35 -2.452 2.478 4.442 1.00 0.00 C ATOM 601 O LYS A 35 -3.017 2.011 5.412 1.00 0.00 O ATOM 602 CB LYS A 35 -0.911 4.141 5.526 1.00 0.00 C ATOM 603 CG LYS A 35 -0.513 5.617 5.577 1.00 0.00 C ATOM 604 CD LYS A 35 -0.396 6.063 7.036 1.00 0.00 C ATOM 605 CE LYS A 35 -1.754 6.573 7.524 1.00 0.00 C ATOM 606 NZ LYS A 35 -1.820 6.182 8.960 1.00 0.00 N ATOM 0 H LYS A 35 -3.407 4.779 5.752 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.559 4.123 3.441 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.308 3.828 6.492 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.034 3.525 5.327 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.436 5.767 5.062 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.256 6.223 5.059 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.064 5.231 7.656 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.354 6.848 7.128 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.836 7.653 7.405 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.570 6.127 6.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.724 6.498 9.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.747 5.148 9.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.035 6.627 9.477 1.00 0.00 H new ATOM 620 N ILE A 36 -2.248 1.758 3.370 1.00 0.00 N ATOM 621 CA ILE A 36 -2.724 0.329 3.344 1.00 0.00 C ATOM 622 C ILE A 36 -1.623 -0.628 2.891 1.00 0.00 C ATOM 623 O ILE A 36 -1.731 -1.825 3.074 1.00 0.00 O ATOM 624 CB ILE A 36 -3.968 0.279 2.430 1.00 0.00 C ATOM 625 CG1 ILE A 36 -3.589 0.279 0.944 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.878 1.475 2.714 1.00 0.00 C ATOM 627 CD1 ILE A 36 -2.695 1.452 0.611 1.00 0.00 C ATOM 0 H ILE A 36 -1.782 2.083 2.523 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.990 -0.005 4.347 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.491 -0.652 2.649 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.080 -0.652 0.695 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.492 0.321 0.335 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.752 1.430 2.064 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.199 1.449 3.755 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.333 2.400 2.525 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.442 1.427 -0.449 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.216 2.382 0.838 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.782 1.393 1.204 1.00 0.00 H new ATOM 639 N GLY A 37 -0.557 -0.131 2.339 1.00 0.00 N ATOM 640 CA GLY A 37 0.536 -1.038 1.932 1.00 0.00 C ATOM 641 C GLY A 37 1.874 -0.467 2.394 1.00 0.00 C ATOM 642 O GLY A 37 2.016 0.724 2.562 1.00 0.00 O ATOM 0 H GLY A 37 -0.398 0.859 2.154 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.382 -2.026 2.365 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.536 -1.161 0.849 1.00 0.00 H new ATOM 646 N TYR A 38 2.863 -1.303 2.586 1.00 0.00 N ATOM 647 CA TYR A 38 4.208 -0.806 3.012 1.00 0.00 C ATOM 648 C TYR A 38 5.275 -1.383 2.078 1.00 0.00 C ATOM 649 O TYR A 38 5.100 -2.453 1.527 1.00 0.00 O ATOM 650 CB TYR A 38 4.400 -1.339 4.430 1.00 0.00 C ATOM 651 CG TYR A 38 5.502 -0.574 5.121 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.838 -0.967 4.964 1.00 0.00 C ATOM 653 CD2 TYR A 38 5.188 0.524 5.931 1.00 0.00 C ATOM 654 CE1 TYR A 38 7.856 -0.262 5.619 1.00 0.00 C ATOM 655 CE2 TYR A 38 6.205 1.228 6.582 1.00 0.00 C ATOM 656 CZ TYR A 38 7.539 0.836 6.427 1.00 0.00 C ATOM 657 OH TYR A 38 8.540 1.530 7.072 1.00 0.00 O ATOM 0 H TYR A 38 2.797 -2.314 2.465 1.00 0.00 H new ATOM 0 HA TYR A 38 4.287 0.281 2.977 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.471 -1.244 4.993 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.646 -2.400 4.399 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.083 -1.813 4.338 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.159 0.827 6.053 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.886 -0.566 5.500 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.961 2.075 7.205 1.00 0.00 H new ATOM 0 HH TYR A 38 8.148 2.264 7.590 1.00 0.00 H new ATOM 667 N TYR A 39 6.379 -0.703 1.885 1.00 0.00 N ATOM 668 CA TYR A 39 7.419 -1.266 0.974 1.00 0.00 C ATOM 669 C TYR A 39 8.821 -0.811 1.414 1.00 0.00 C ATOM 670 O TYR A 39 9.133 0.361 1.393 1.00 0.00 O ATOM 671 CB TYR A 39 7.096 -0.710 -0.414 1.00 0.00 C ATOM 672 CG TYR A 39 8.145 -1.185 -1.396 1.00 0.00 C ATOM 673 CD1 TYR A 39 8.384 -2.555 -1.557 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.882 -0.256 -2.140 1.00 0.00 C ATOM 675 CE1 TYR A 39 9.359 -2.995 -2.461 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.856 -0.695 -3.043 1.00 0.00 C ATOM 677 CZ TYR A 39 10.094 -2.064 -3.203 1.00 0.00 C ATOM 678 OH TYR A 39 11.054 -2.498 -4.094 1.00 0.00 O ATOM 0 H TYR A 39 6.601 0.198 2.309 1.00 0.00 H new ATOM 0 HA TYR A 39 7.415 -2.356 0.986 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.107 -1.042 -0.731 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.073 0.379 -0.386 1.00 0.00 H new ATOM 0 HD1 TYR A 39 7.816 -3.273 -0.984 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.698 0.801 -2.017 1.00 0.00 H new ATOM 0 HE1 TYR A 39 9.543 -4.052 -2.585 1.00 0.00 H new ATOM 0 HE2 TYR A 39 10.424 0.023 -3.616 1.00 0.00 H new ATOM 0 HH TYR A 39 11.471 -1.725 -4.528 1.00 0.00 H new ATOM 688 N ASP A 40 9.672 -1.720 1.806 1.00 0.00 N ATOM 689 CA ASP A 40 11.043 -1.310 2.236 1.00 0.00 C ATOM 690 C ASP A 40 12.106 -2.165 1.535 1.00 0.00 C ATOM 691 O ASP A 40 12.600 -3.120 2.101 1.00 0.00 O ATOM 692 CB ASP A 40 11.077 -1.547 3.745 1.00 0.00 C ATOM 693 CG ASP A 40 12.374 -0.977 4.322 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.381 -1.036 3.636 1.00 0.00 O ATOM 695 OD2 ASP A 40 12.338 -0.491 5.440 1.00 0.00 O ATOM 0 H ASP A 40 9.481 -2.721 1.848 1.00 0.00 H new ATOM 0 HA ASP A 40 11.256 -0.272 1.981 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.217 -1.073 4.218 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.010 -2.614 3.958 1.00 0.00 H new ATOM 838 N LEU A 49 8.042 -6.533 2.029 1.00 0.00 N ATOM 839 CA LEU A 49 6.642 -6.154 1.686 1.00 0.00 C ATOM 840 C LEU A 49 5.725 -6.277 2.902 1.00 0.00 C ATOM 841 O LEU A 49 5.678 -7.298 3.558 1.00 0.00 O ATOM 842 CB LEU A 49 6.220 -7.164 0.625 1.00 0.00 C ATOM 843 CG LEU A 49 4.936 -6.692 -0.051 1.00 0.00 C ATOM 844 CD1 LEU A 49 4.985 -7.067 -1.525 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.735 -7.371 0.611 1.00 0.00 C ATOM 0 HA LEU A 49 6.577 -5.121 1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.011 -7.280 -0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.064 -8.142 1.081 1.00 0.00 H new ATOM 0 HG LEU A 49 4.840 -5.611 0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.071 -6.733 -2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.844 -6.588 -1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.075 -8.149 -1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.816 -7.035 0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.825 -8.452 0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.707 -7.110 1.669 1.00 0.00 H new ATOM 857 N LYS A 50 4.982 -5.250 3.189 1.00 0.00 N ATOM 858 CA LYS A 50 4.044 -5.305 4.344 1.00 0.00 C ATOM 859 C LYS A 50 2.736 -4.609 3.966 1.00 0.00 C ATOM 860 O LYS A 50 2.561 -3.432 4.218 1.00 0.00 O ATOM 861 CB LYS A 50 4.752 -4.551 5.471 1.00 0.00 C ATOM 862 CG LYS A 50 5.019 -5.505 6.635 1.00 0.00 C ATOM 863 CD LYS A 50 6.351 -5.146 7.296 1.00 0.00 C ATOM 864 CE LYS A 50 7.496 -5.807 6.528 1.00 0.00 C ATOM 865 NZ LYS A 50 8.736 -5.238 7.127 1.00 0.00 N ATOM 0 H LYS A 50 4.982 -4.370 2.673 1.00 0.00 H new ATOM 0 HA LYS A 50 3.798 -6.325 4.640 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.690 -4.131 5.108 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.137 -3.715 5.806 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.211 -5.441 7.364 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.045 -6.534 6.277 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.484 -4.064 7.307 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.355 -5.479 8.334 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.468 -6.892 6.633 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.435 -5.588 5.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.568 -5.643 6.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.737 -4.205 7.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.769 -5.468 8.141 1.00 0.00 H new ATOM 879 N VAL A 51 1.817 -5.309 3.350 1.00 0.00 N ATOM 880 CA VAL A 51 0.544 -4.646 2.957 1.00 0.00 C ATOM 881 C VAL A 51 -0.648 -5.248 3.694 1.00 0.00 C ATOM 882 O VAL A 51 -0.755 -6.444 3.875 1.00 0.00 O ATOM 883 CB VAL A 51 0.407 -4.865 1.422 1.00 0.00 C ATOM 884 CG1 VAL A 51 -1.058 -5.108 1.015 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.881 -3.622 0.682 1.00 0.00 C ATOM 0 H VAL A 51 1.894 -6.297 3.106 1.00 0.00 H new ATOM 0 HA VAL A 51 0.559 -3.587 3.215 1.00 0.00 H new ATOM 0 HB VAL A 51 1.009 -5.737 1.165 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.116 -5.257 -0.063 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.435 -5.995 1.525 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.661 -4.245 1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.784 -3.779 -0.392 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.274 -2.767 0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.925 -3.429 0.927 1.00 0.00 H new ATOM 895 N ASP A 52 -1.582 -4.415 4.034 1.00 0.00 N ATOM 896 CA ASP A 52 -2.820 -4.910 4.660 1.00 0.00 C ATOM 897 C ASP A 52 -3.818 -5.084 3.520 1.00 0.00 C ATOM 898 O ASP A 52 -4.741 -4.310 3.378 1.00 0.00 O ATOM 899 CB ASP A 52 -3.266 -3.808 5.622 1.00 0.00 C ATOM 900 CG ASP A 52 -3.947 -4.437 6.837 1.00 0.00 C ATOM 901 OD1 ASP A 52 -3.570 -5.540 7.199 1.00 0.00 O ATOM 902 OD2 ASP A 52 -4.833 -3.806 7.388 1.00 0.00 O ATOM 0 H ASP A 52 -1.537 -3.405 3.902 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.715 -5.850 5.202 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.406 -3.217 5.939 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.953 -3.127 5.119 1.00 0.00 H new ATOM 907 N VAL A 53 -3.577 -6.065 2.672 1.00 0.00 N ATOM 908 CA VAL A 53 -4.449 -6.309 1.466 1.00 0.00 C ATOM 909 C VAL A 53 -5.918 -5.945 1.740 1.00 0.00 C ATOM 910 O VAL A 53 -6.612 -5.494 0.853 1.00 0.00 O ATOM 911 CB VAL A 53 -4.257 -7.805 1.063 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.897 -8.680 2.270 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.529 -8.362 0.405 1.00 0.00 C ATOM 0 H VAL A 53 -2.799 -6.718 2.766 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.157 -5.664 0.637 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.432 -7.834 0.352 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.772 -9.713 1.946 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.967 -8.324 2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.696 -8.626 3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.371 -9.406 0.133 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.361 -8.292 1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.758 -7.784 -0.491 1.00 0.00 H new ATOM 923 N GLU A 54 -6.394 -6.100 2.944 1.00 0.00 N ATOM 924 CA GLU A 54 -7.803 -5.708 3.210 1.00 0.00 C ATOM 925 C GLU A 54 -7.958 -4.217 2.911 1.00 0.00 C ATOM 926 O GLU A 54 -8.837 -3.806 2.180 1.00 0.00 O ATOM 927 CB GLU A 54 -8.049 -6.004 4.689 1.00 0.00 C ATOM 928 CG GLU A 54 -9.406 -6.691 4.851 1.00 0.00 C ATOM 929 CD GLU A 54 -10.523 -5.663 4.668 1.00 0.00 C ATOM 930 OE1 GLU A 54 -10.888 -5.409 3.531 1.00 0.00 O ATOM 931 OE2 GLU A 54 -10.996 -5.146 5.666 1.00 0.00 O ATOM 0 H GLU A 54 -5.879 -6.474 3.741 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.519 -6.249 2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.257 -6.642 5.080 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.026 -5.079 5.265 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.510 -7.491 4.118 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.478 -7.150 5.837 1.00 0.00 H new ATOM 938 N ARG A 55 -7.088 -3.409 3.451 1.00 0.00 N ATOM 939 CA ARG A 55 -7.157 -1.950 3.177 1.00 0.00 C ATOM 940 C ARG A 55 -6.651 -1.689 1.758 1.00 0.00 C ATOM 941 O ARG A 55 -7.166 -0.857 1.043 1.00 0.00 O ATOM 942 CB ARG A 55 -6.244 -1.292 4.210 1.00 0.00 C ATOM 943 CG ARG A 55 -6.853 -1.443 5.605 1.00 0.00 C ATOM 944 CD ARG A 55 -8.122 -0.592 5.714 1.00 0.00 C ATOM 945 NE ARG A 55 -7.662 0.817 5.546 1.00 0.00 N ATOM 946 CZ ARG A 55 -8.521 1.810 5.559 1.00 0.00 C ATOM 947 NH1 ARG A 55 -9.800 1.592 5.741 1.00 0.00 N ATOM 948 NH2 ARG A 55 -8.093 3.031 5.396 1.00 0.00 N ATOM 0 H ARG A 55 -6.332 -3.699 4.071 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.170 -1.555 3.247 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.256 -1.752 4.182 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.111 -0.236 3.973 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.089 -2.490 5.797 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.132 -1.135 6.362 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.846 -0.864 4.946 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.611 -0.735 6.678 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.669 1.011 5.420 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.141 0.640 5.875 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.455 2.374 5.748 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.098 3.209 5.260 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.753 3.808 5.405 1.00 0.00 H new ATOM 962 N ALA A 56 -5.666 -2.426 1.327 1.00 0.00 N ATOM 963 CA ALA A 56 -5.165 -2.247 -0.055 1.00 0.00 C ATOM 964 C ALA A 56 -6.245 -2.738 -1.020 1.00 0.00 C ATOM 965 O ALA A 56 -6.256 -2.392 -2.184 1.00 0.00 O ATOM 966 CB ALA A 56 -3.870 -3.065 -0.112 1.00 0.00 C ATOM 0 H ALA A 56 -5.189 -3.143 1.875 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.954 -1.215 -0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.433 -2.985 -1.107 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.165 -2.682 0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.090 -4.110 0.105 1.00 0.00 H new ATOM 972 N ARG A 57 -7.194 -3.496 -0.524 1.00 0.00 N ATOM 973 CA ARG A 57 -8.306 -3.956 -1.385 1.00 0.00 C ATOM 974 C ARG A 57 -9.449 -2.928 -1.315 1.00 0.00 C ATOM 975 O ARG A 57 -10.273 -2.833 -2.203 1.00 0.00 O ATOM 976 CB ARG A 57 -8.741 -5.303 -0.804 1.00 0.00 C ATOM 977 CG ARG A 57 -9.896 -5.865 -1.634 1.00 0.00 C ATOM 978 CD ARG A 57 -9.360 -6.391 -2.968 1.00 0.00 C ATOM 979 NE ARG A 57 -10.056 -7.693 -3.173 1.00 0.00 N ATOM 980 CZ ARG A 57 -9.703 -8.758 -2.493 1.00 0.00 C ATOM 981 NH1 ARG A 57 -8.717 -8.712 -1.630 1.00 0.00 N ATOM 982 NH2 ARG A 57 -10.339 -9.883 -2.683 1.00 0.00 N ATOM 0 H ARG A 57 -7.238 -3.812 0.445 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.020 -4.058 -2.432 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.903 -6.000 -0.807 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.050 -5.181 0.234 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.393 -6.667 -1.088 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.642 -5.090 -1.810 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.573 -5.697 -3.781 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.278 -6.522 -2.935 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.816 -7.757 -3.850 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.212 -7.839 -1.479 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.455 -9.549 -1.110 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.104 -9.929 -3.356 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.071 -10.715 -2.158 1.00 0.00 H new ATOM 996 N TYR A 58 -9.476 -2.137 -0.266 1.00 0.00 N ATOM 997 CA TYR A 58 -10.523 -1.086 -0.116 1.00 0.00 C ATOM 998 C TYR A 58 -10.295 -0.054 -1.197 1.00 0.00 C ATOM 999 O TYR A 58 -11.187 0.375 -1.902 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.238 -0.474 1.264 1.00 0.00 C ATOM 1001 CG TYR A 58 -10.837 0.918 1.401 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.055 1.225 0.786 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.170 1.894 2.158 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.608 2.505 0.924 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.725 3.172 2.297 1.00 0.00 C ATOM 1006 CZ TYR A 58 -11.944 3.477 1.681 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.491 4.736 1.820 1.00 0.00 O ATOM 0 H TYR A 58 -8.805 -2.180 0.501 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.545 -1.456 -0.197 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.645 -1.122 2.040 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.161 -0.423 1.423 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.570 0.475 0.204 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.229 1.659 2.633 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.547 2.742 0.446 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.212 3.923 2.880 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.903 5.288 2.377 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.076 0.343 -1.295 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.684 1.355 -2.289 1.00 0.00 C ATOM 1019 C TRP A 59 -8.840 0.779 -3.684 1.00 0.00 C ATOM 1020 O TRP A 59 -9.553 1.310 -4.510 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.245 1.669 -1.909 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.329 2.368 -0.600 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.816 1.950 0.579 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.046 3.588 -0.327 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.153 2.874 1.557 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -7.911 3.906 1.040 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.779 4.444 -1.149 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.498 5.053 1.577 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.372 5.597 -0.619 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.232 5.902 0.742 1.00 0.00 C ATOM 0 H TRP A 59 -8.312 0.000 -0.712 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.291 2.260 -2.295 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.651 0.758 -1.831 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.768 2.298 -2.661 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.241 1.049 0.733 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.876 2.800 2.536 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.890 4.217 -2.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.387 5.283 2.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.939 6.254 -1.262 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.691 6.792 1.146 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.234 -0.336 -3.937 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.410 -0.975 -5.267 1.00 0.00 C ATOM 1043 C LEU A 60 -9.908 -1.203 -5.504 1.00 0.00 C ATOM 1044 O LEU A 60 -10.359 -1.338 -6.623 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.666 -2.307 -5.178 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.214 -2.102 -5.603 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.320 -3.098 -4.863 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.092 -2.325 -7.113 1.00 0.00 C ATOM 0 H LEU A 60 -7.626 -0.834 -3.287 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.028 -0.368 -6.088 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.708 -2.693 -4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.144 -3.047 -5.819 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.901 -1.087 -5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.283 -2.952 -5.166 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.410 -2.939 -3.788 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.629 -4.115 -5.106 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.056 -2.179 -7.420 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.403 -3.341 -7.357 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.729 -1.614 -7.638 1.00 0.00 H new ATOM 1060 N SER A 61 -10.684 -1.236 -4.445 1.00 0.00 N ATOM 1061 CA SER A 61 -12.146 -1.441 -4.597 1.00 0.00 C ATOM 1062 C SER A 61 -12.841 -0.115 -4.936 1.00 0.00 C ATOM 1063 O SER A 61 -13.935 -0.102 -5.466 1.00 0.00 O ATOM 1064 CB SER A 61 -12.622 -1.970 -3.244 1.00 0.00 C ATOM 1065 OG SER A 61 -12.487 -3.385 -3.219 1.00 0.00 O ATOM 0 H SER A 61 -10.360 -1.129 -3.484 1.00 0.00 H new ATOM 0 HA SER A 61 -12.379 -2.133 -5.406 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.037 -1.523 -2.440 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.662 -1.689 -3.076 1.00 0.00 H new ATOM 0 HG SER A 61 -11.544 -3.622 -3.097 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.222 1.002 -4.642 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.861 2.302 -4.961 1.00 0.00 C ATOM 1073 C VAL A 62 -12.280 2.851 -6.263 1.00 0.00 C ATOM 1074 O VAL A 62 -12.167 4.044 -6.461 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.554 3.239 -3.774 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -12.831 2.527 -2.447 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.087 3.693 -3.800 1.00 0.00 C ATOM 0 H VAL A 62 -11.306 1.063 -4.197 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.938 2.206 -5.102 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.201 4.112 -3.864 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.610 3.201 -1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.879 2.232 -2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.201 1.641 -2.371 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.895 4.352 -2.954 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.435 2.822 -3.736 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.888 4.228 -4.729 1.00 0.00 H new ATOM 1087 N GLY A 63 -11.912 1.974 -7.148 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.333 2.410 -8.446 1.00 0.00 C ATOM 1089 C GLY A 63 -9.928 2.979 -8.227 1.00 0.00 C ATOM 1090 O GLY A 63 -9.459 3.795 -8.995 1.00 0.00 O ATOM 0 H GLY A 63 -11.988 0.964 -7.028 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.290 1.567 -9.136 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.973 3.164 -8.904 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.245 2.558 -7.193 1.00 0.00 N ATOM 1095 CA ALA A 64 -7.875 3.090 -6.958 1.00 0.00 C ATOM 1096 C ALA A 64 -6.940 2.611 -8.069 1.00 0.00 C ATOM 1097 O ALA A 64 -6.986 1.469 -8.479 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.443 2.523 -5.606 1.00 0.00 C ATOM 0 H ALA A 64 -9.575 1.876 -6.510 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.847 4.180 -6.958 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.439 2.875 -5.368 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.137 2.855 -4.834 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.445 1.434 -5.651 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.098 3.473 -8.567 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.172 3.060 -9.659 1.00 0.00 C ATOM 1106 C GLN A 65 -3.757 2.828 -9.109 1.00 0.00 C ATOM 1107 O GLN A 65 -3.071 3.771 -8.765 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.181 4.229 -10.645 1.00 0.00 C ATOM 1109 CG GLN A 65 -6.527 4.272 -11.371 1.00 0.00 C ATOM 1110 CD GLN A 65 -6.306 4.639 -12.841 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -6.813 5.638 -13.312 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -5.567 3.867 -13.590 1.00 0.00 N ATOM 0 H GLN A 65 -6.011 4.444 -8.266 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.481 2.125 -10.127 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.011 5.167 -10.116 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.370 4.118 -11.365 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.022 3.304 -11.298 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.184 5.002 -10.898 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.141 3.029 -13.195 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.415 4.102 -14.571 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.359 1.578 -9.048 1.00 0.00 N ATOM 1122 CA PRO A 66 -2.006 1.243 -8.545 1.00 0.00 C ATOM 1123 C PRO A 66 -0.968 1.477 -9.653 1.00 0.00 C ATOM 1124 O PRO A 66 -1.100 0.974 -10.750 1.00 0.00 O ATOM 1125 CB PRO A 66 -2.110 -0.242 -8.205 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.203 -0.773 -9.079 1.00 0.00 C ATOM 1127 CD PRO A 66 -4.116 0.377 -9.429 1.00 0.00 C ATOM 0 HA PRO A 66 -1.695 1.847 -7.693 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.168 -0.756 -8.397 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.344 -0.388 -7.150 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.787 -1.219 -9.983 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.757 -1.557 -8.563 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.359 0.382 -10.492 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.059 0.314 -8.887 1.00 0.00 H new ATOM 1135 N THR A 67 0.055 2.241 -9.379 1.00 0.00 N ATOM 1136 CA THR A 67 1.089 2.509 -10.426 1.00 0.00 C ATOM 1137 C THR A 67 1.776 1.207 -10.846 1.00 0.00 C ATOM 1138 O THR A 67 1.423 0.133 -10.399 1.00 0.00 O ATOM 1139 CB THR A 67 2.096 3.443 -9.756 1.00 0.00 C ATOM 1140 OG1 THR A 67 3.142 3.742 -10.670 1.00 0.00 O ATOM 1141 CG2 THR A 67 2.677 2.760 -8.516 1.00 0.00 C ATOM 0 H THR A 67 0.221 2.691 -8.479 1.00 0.00 H new ATOM 0 HA THR A 67 0.655 2.945 -11.326 1.00 0.00 H new ATOM 0 HB THR A 67 1.598 4.366 -9.460 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.788 4.342 -10.243 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.396 3.425 -8.037 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.873 2.530 -7.817 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.177 1.837 -8.810 1.00 0.00 H new ATOM 1149 N ASP A 68 2.767 1.295 -11.695 1.00 0.00 N ATOM 1150 CA ASP A 68 3.486 0.062 -12.139 1.00 0.00 C ATOM 1151 C ASP A 68 4.528 -0.348 -11.092 1.00 0.00 C ATOM 1152 O ASP A 68 5.685 -0.556 -11.396 1.00 0.00 O ATOM 1153 CB ASP A 68 4.169 0.451 -13.450 1.00 0.00 C ATOM 1154 CG ASP A 68 4.927 -0.754 -14.008 1.00 0.00 C ATOM 1155 OD1 ASP A 68 4.595 -1.865 -13.631 1.00 0.00 O ATOM 1156 OD2 ASP A 68 5.829 -0.545 -14.802 1.00 0.00 O ATOM 0 H ASP A 68 3.110 2.166 -12.100 1.00 0.00 H new ATOM 0 HA ASP A 68 2.812 -0.785 -12.267 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.427 0.793 -14.171 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.856 1.280 -13.282 1.00 0.00 H new ATOM 1161 N THR A 69 4.115 -0.464 -9.861 1.00 0.00 N ATOM 1162 CA THR A 69 5.047 -0.859 -8.768 1.00 0.00 C ATOM 1163 C THR A 69 4.218 -1.283 -7.562 1.00 0.00 C ATOM 1164 O THR A 69 4.315 -2.395 -7.081 1.00 0.00 O ATOM 1165 CB THR A 69 5.841 0.393 -8.436 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.257 1.036 -9.634 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.064 0.023 -7.597 1.00 0.00 C ATOM 0 H THR A 69 3.154 -0.299 -9.561 1.00 0.00 H new ATOM 0 HA THR A 69 5.704 -1.682 -9.049 1.00 0.00 H new ATOM 0 HB THR A 69 5.208 1.074 -7.867 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.549 0.362 -10.283 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.630 0.924 -7.362 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.740 -0.454 -6.672 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.695 -0.666 -8.158 1.00 0.00 H new ATOM 1175 N ALA A 70 3.371 -0.405 -7.096 1.00 0.00 N ATOM 1176 CA ALA A 70 2.498 -0.750 -5.954 1.00 0.00 C ATOM 1177 C ALA A 70 1.487 -1.780 -6.435 1.00 0.00 C ATOM 1178 O ALA A 70 0.993 -2.588 -5.673 1.00 0.00 O ATOM 1179 CB ALA A 70 1.806 0.556 -5.563 1.00 0.00 C ATOM 0 H ALA A 70 3.251 0.539 -7.464 1.00 0.00 H new ATOM 0 HA ALA A 70 3.036 -1.169 -5.104 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.140 0.376 -4.719 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.556 1.295 -5.282 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.228 0.929 -6.409 1.00 0.00 H new ATOM 1185 N ARG A 71 1.204 -1.783 -7.713 1.00 0.00 N ATOM 1186 CA ARG A 71 0.266 -2.785 -8.246 1.00 0.00 C ATOM 1187 C ARG A 71 0.935 -4.137 -8.105 1.00 0.00 C ATOM 1188 O ARG A 71 0.324 -5.122 -7.741 1.00 0.00 O ATOM 1189 CB ARG A 71 0.069 -2.426 -9.721 1.00 0.00 C ATOM 1190 CG ARG A 71 -1.185 -3.120 -10.254 1.00 0.00 C ATOM 1191 CD ARG A 71 -0.789 -4.433 -10.933 1.00 0.00 C ATOM 1192 NE ARG A 71 0.122 -4.034 -12.046 1.00 0.00 N ATOM 1193 CZ ARG A 71 -0.356 -3.532 -13.161 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -1.643 -3.345 -13.317 1.00 0.00 N ATOM 1195 NH2 ARG A 71 0.463 -3.212 -14.125 1.00 0.00 N ATOM 0 H ARG A 71 1.586 -1.132 -8.399 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.695 -2.808 -7.732 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.025 -1.346 -9.834 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.940 -2.732 -10.300 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.881 -3.315 -9.438 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.699 -2.472 -10.963 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.288 -5.103 -10.234 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.664 -4.962 -11.310 1.00 0.00 H new ATOM 0 HE ARG A 71 1.129 -4.153 -11.939 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.289 -3.590 -12.566 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.000 -2.954 -14.189 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.467 -3.352 -14.009 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.100 -2.821 -14.994 1.00 0.00 H new ATOM 1209 N ARG A 72 2.214 -4.176 -8.363 1.00 0.00 N ATOM 1210 CA ARG A 72 2.950 -5.450 -8.221 1.00 0.00 C ATOM 1211 C ARG A 72 2.927 -5.868 -6.752 1.00 0.00 C ATOM 1212 O ARG A 72 2.748 -7.024 -6.423 1.00 0.00 O ATOM 1213 CB ARG A 72 4.376 -5.144 -8.681 1.00 0.00 C ATOM 1214 CG ARG A 72 4.778 -6.116 -9.792 1.00 0.00 C ATOM 1215 CD ARG A 72 6.304 -6.227 -9.840 1.00 0.00 C ATOM 1216 NE ARG A 72 6.637 -6.439 -11.279 1.00 0.00 N ATOM 1217 CZ ARG A 72 7.857 -6.764 -11.644 1.00 0.00 C ATOM 1218 NH1 ARG A 72 8.808 -6.908 -10.756 1.00 0.00 N ATOM 1219 NH2 ARG A 72 8.126 -6.943 -12.909 1.00 0.00 N ATOM 0 H ARG A 72 2.774 -3.379 -8.665 1.00 0.00 H new ATOM 0 HA ARG A 72 2.517 -6.263 -8.804 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.440 -4.117 -9.042 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.066 -5.230 -7.842 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.336 -7.096 -9.611 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.397 -5.767 -10.752 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.777 -5.323 -9.456 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.658 -7.057 -9.228 1.00 0.00 H new ATOM 0 HE ARG A 72 5.910 -6.331 -11.987 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.607 -6.768 -9.766 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.750 -7.161 -11.054 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.391 -6.830 -13.608 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.071 -7.195 -13.199 1.00 0.00 H new ATOM 1233 N LEU A 73 3.096 -4.925 -5.866 1.00 0.00 N ATOM 1234 CA LEU A 73 3.071 -5.246 -4.421 1.00 0.00 C ATOM 1235 C LEU A 73 1.655 -5.630 -4.014 1.00 0.00 C ATOM 1236 O LEU A 73 1.455 -6.427 -3.123 1.00 0.00 O ATOM 1237 CB LEU A 73 3.527 -3.973 -3.711 1.00 0.00 C ATOM 1238 CG LEU A 73 4.908 -3.570 -4.231 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.182 -2.105 -3.889 1.00 0.00 C ATOM 1240 CD2 LEU A 73 5.972 -4.451 -3.577 1.00 0.00 C ATOM 0 H LEU A 73 3.251 -3.942 -6.088 1.00 0.00 H new ATOM 0 HA LEU A 73 3.717 -6.085 -4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.811 -3.169 -3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.565 -4.137 -2.634 1.00 0.00 H new ATOM 0 HG LEU A 73 4.938 -3.699 -5.313 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.167 -1.822 -4.261 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.424 -1.475 -4.354 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.151 -1.972 -2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.957 -4.166 -3.946 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.938 -4.321 -2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.781 -5.496 -3.823 1.00 0.00 H new ATOM 1252 N LEU A 74 0.670 -5.099 -4.682 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.721 -5.483 -4.350 1.00 0.00 C ATOM 1254 C LEU A 74 -0.914 -6.931 -4.792 1.00 0.00 C ATOM 1255 O LEU A 74 -1.683 -7.681 -4.226 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.610 -4.533 -5.153 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.622 -3.158 -4.481 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -2.215 -2.123 -5.439 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -2.473 -3.220 -3.210 1.00 0.00 C ATOM 0 H LEU A 74 0.771 -4.421 -5.437 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.958 -5.413 -3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.240 -4.447 -6.175 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.624 -4.929 -5.213 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.602 -2.872 -4.225 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.223 -1.145 -4.958 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.611 -2.078 -6.345 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.235 -2.408 -5.697 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.482 -2.241 -2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.492 -3.507 -3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.051 -3.956 -2.525 1.00 0.00 H new ATOM 1271 N ARG A 75 -0.178 -7.334 -5.792 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.260 -8.729 -6.275 1.00 0.00 C ATOM 1273 C ARG A 75 0.637 -9.600 -5.401 1.00 0.00 C ATOM 1274 O ARG A 75 0.422 -10.786 -5.246 1.00 0.00 O ATOM 1275 CB ARG A 75 0.277 -8.680 -7.706 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.601 -9.534 -8.616 1.00 0.00 C ATOM 1277 CD ARG A 75 0.226 -10.684 -9.197 1.00 0.00 C ATOM 1278 NE ARG A 75 -0.079 -10.674 -10.658 1.00 0.00 N ATOM 1279 CZ ARG A 75 0.627 -11.394 -11.498 1.00 0.00 C ATOM 1280 NH1 ARG A 75 1.611 -12.149 -11.078 1.00 0.00 N ATOM 1281 NH2 ARG A 75 0.345 -11.357 -12.773 1.00 0.00 N ATOM 0 H ARG A 75 0.483 -6.743 -6.297 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.269 -9.139 -6.238 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.294 -7.650 -8.063 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.305 -9.043 -7.731 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.448 -9.929 -8.055 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.009 -8.923 -9.421 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.291 -10.537 -9.014 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.047 -11.636 -8.743 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.846 -10.100 -11.008 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.839 -12.184 -10.084 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.150 -12.702 -11.744 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.419 -10.771 -13.109 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.889 -11.914 -13.432 1.00 0.00 H new ATOM 1295 N GLN A 76 1.653 -9.008 -4.837 1.00 0.00 N ATOM 1296 CA GLN A 76 2.585 -9.764 -3.981 1.00 0.00 C ATOM 1297 C GLN A 76 2.039 -9.876 -2.568 1.00 0.00 C ATOM 1298 O GLN A 76 2.175 -10.890 -1.911 1.00 0.00 O ATOM 1299 CB GLN A 76 3.856 -8.936 -4.028 1.00 0.00 C ATOM 1300 CG GLN A 76 5.081 -9.826 -3.828 1.00 0.00 C ATOM 1301 CD GLN A 76 6.178 -9.372 -4.789 1.00 0.00 C ATOM 1302 OE1 GLN A 76 7.320 -9.220 -4.403 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.874 -9.148 -6.040 1.00 0.00 N ATOM 0 H GLN A 76 1.873 -8.017 -4.940 1.00 0.00 H new ATOM 0 HA GLN A 76 2.746 -10.790 -4.313 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.926 -8.420 -4.986 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.826 -8.169 -3.254 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.431 -9.762 -2.798 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.825 -10.869 -4.013 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.915 -9.276 -6.363 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.596 -8.845 -6.694 1.00 0.00 H new ATOM 1312 N ALA A 77 1.401 -8.853 -2.107 1.00 0.00 N ATOM 1313 CA ALA A 77 0.815 -8.900 -0.748 1.00 0.00 C ATOM 1314 C ALA A 77 -0.382 -9.863 -0.730 1.00 0.00 C ATOM 1315 O ALA A 77 -0.939 -10.153 0.310 1.00 0.00 O ATOM 1316 CB ALA A 77 0.364 -7.469 -0.455 1.00 0.00 C ATOM 0 H ALA A 77 1.257 -7.979 -2.613 1.00 0.00 H new ATOM 0 HA ALA A 77 1.524 -9.257 -0.001 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.082 -7.424 0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.224 -6.801 -0.497 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.372 -7.160 -1.197 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.782 -10.363 -1.875 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.938 -11.303 -1.921 1.00 0.00 C ATOM 1324 C GLY A 78 -3.241 -10.506 -1.916 1.00 0.00 C ATOM 1325 O GLY A 78 -4.087 -10.690 -1.064 1.00 0.00 O ATOM 0 H GLY A 78 -0.355 -10.158 -2.778 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.881 -11.923 -2.816 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.908 -11.976 -1.064 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.411 -9.613 -2.855 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.657 -8.807 -2.886 1.00 0.00 C ATOM 1331 C VAL A 79 -5.572 -9.253 -4.029 1.00 0.00 C ATOM 1332 O VAL A 79 -6.716 -9.605 -3.819 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.213 -7.363 -3.098 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.422 -6.434 -2.970 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.167 -6.978 -2.045 1.00 0.00 C ATOM 0 H VAL A 79 -2.741 -9.410 -3.597 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.225 -8.927 -1.964 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.777 -7.266 -4.092 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.105 -5.402 -3.121 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.166 -6.699 -3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.857 -6.538 -1.976 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.855 -5.946 -2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.599 -7.078 -1.049 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.303 -7.636 -2.133 1.00 0.00 H new