USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 467 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 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 -130:sc= 0.0134 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.384 K(o=-0.38,f=-2.5!) USER MOD Single : A 67 THR OG1 : rot 170:sc= -0.282 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.00615 USER MOD Single : A 76 GLN : amide:sc= -0.648 X(o=-0.65,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.334 8.403 -6.929 1.00 0.00 N ATOM 21 CA VAL A 2 -7.523 7.751 -5.860 1.00 0.00 C ATOM 22 C VAL A 2 -6.500 6.800 -6.485 1.00 0.00 C ATOM 23 O VAL A 2 -6.822 6.005 -7.345 1.00 0.00 O ATOM 24 CB VAL A 2 -8.534 6.974 -5.017 1.00 0.00 C ATOM 25 CG1 VAL A 2 -7.805 6.230 -3.898 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.545 7.947 -4.407 1.00 0.00 C ATOM 0 HA VAL A 2 -6.965 8.472 -5.263 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.056 6.256 -5.650 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.528 5.677 -3.298 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.086 5.535 -4.331 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.281 6.947 -3.265 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.266 7.393 -3.806 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.023 8.666 -3.776 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.067 8.476 -5.204 1.00 0.00 H new ATOM 36 N LYS A 3 -5.268 6.877 -6.061 1.00 0.00 N ATOM 37 CA LYS A 3 -4.225 5.978 -6.634 1.00 0.00 C ATOM 38 C LYS A 3 -3.284 5.488 -5.531 1.00 0.00 C ATOM 39 O LYS A 3 -2.890 6.240 -4.663 1.00 0.00 O ATOM 40 CB LYS A 3 -3.455 6.850 -7.629 1.00 0.00 C ATOM 41 CG LYS A 3 -4.176 6.857 -8.974 1.00 0.00 C ATOM 42 CD LYS A 3 -3.498 7.859 -9.908 1.00 0.00 C ATOM 43 CE LYS A 3 -2.049 7.430 -10.152 1.00 0.00 C ATOM 44 NZ LYS A 3 -1.837 7.606 -11.615 1.00 0.00 N ATOM 0 H LYS A 3 -4.938 7.523 -5.343 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.658 5.096 -7.105 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.370 7.867 -7.246 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.441 6.470 -7.751 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.156 5.860 -9.415 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.224 7.123 -8.836 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.037 7.913 -10.854 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.524 8.856 -9.469 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.354 8.041 -9.576 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.888 6.395 -9.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.864 7.332 -11.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.508 7.007 -12.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.991 8.602 -11.871 1.00 0.00 H new ATOM 58 N ILE A 4 -2.904 4.238 -5.566 1.00 0.00 N ATOM 59 CA ILE A 4 -1.974 3.727 -4.527 1.00 0.00 C ATOM 60 C ILE A 4 -0.565 3.603 -5.125 1.00 0.00 C ATOM 61 O ILE A 4 -0.378 3.050 -6.190 1.00 0.00 O ATOM 62 CB ILE A 4 -2.544 2.375 -4.084 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.770 2.616 -3.200 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.497 1.590 -3.287 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.618 1.347 -3.152 1.00 0.00 C ATOM 0 H ILE A 4 -3.197 3.556 -6.265 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.887 4.392 -3.668 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.822 1.799 -4.967 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.457 2.896 -2.194 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.358 3.445 -3.593 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.917 0.632 -2.979 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.619 1.418 -3.910 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.209 2.160 -2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.492 1.517 -2.523 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.942 1.087 -4.160 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.027 0.530 -2.739 1.00 0.00 H new ATOM 77 N ARG A 5 0.423 4.132 -4.452 1.00 0.00 N ATOM 78 CA ARG A 5 1.814 4.066 -4.983 1.00 0.00 C ATOM 79 C ARG A 5 2.823 4.047 -3.831 1.00 0.00 C ATOM 80 O ARG A 5 2.466 3.828 -2.697 1.00 0.00 O ATOM 81 CB ARG A 5 1.979 5.329 -5.830 1.00 0.00 C ATOM 82 CG ARG A 5 1.707 6.567 -4.972 1.00 0.00 C ATOM 83 CD ARG A 5 3.015 7.044 -4.337 1.00 0.00 C ATOM 84 NE ARG A 5 2.971 8.533 -4.424 1.00 0.00 N ATOM 85 CZ ARG A 5 3.200 9.148 -5.561 1.00 0.00 C ATOM 86 NH1 ARG A 5 3.462 8.473 -6.652 1.00 0.00 N ATOM 87 NH2 ARG A 5 3.164 10.452 -5.604 1.00 0.00 N ATOM 0 H ARG A 5 0.325 4.608 -3.555 1.00 0.00 H new ATOM 0 HA ARG A 5 1.990 3.163 -5.567 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.988 5.374 -6.240 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.292 5.303 -6.676 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.277 7.360 -5.584 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.978 6.332 -4.196 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.094 6.712 -3.302 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.879 6.644 -4.867 1.00 0.00 H new ATOM 0 HE ARG A 5 2.760 9.080 -3.589 1.00 0.00 H new ATOM 0 HH11 ARG A 5 3.490 7.454 -6.627 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.638 8.966 -7.527 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.959 10.985 -4.759 1.00 0.00 H new ATOM 0 HH22 ARG A 5 3.341 10.938 -6.483 1.00 0.00 H new ATOM 101 N LEU A 6 4.081 4.285 -4.108 1.00 0.00 N ATOM 102 CA LEU A 6 5.096 4.268 -3.011 1.00 0.00 C ATOM 103 C LEU A 6 5.231 5.652 -2.379 1.00 0.00 C ATOM 104 O LEU A 6 5.324 6.654 -3.058 1.00 0.00 O ATOM 105 CB LEU A 6 6.419 3.886 -3.674 1.00 0.00 C ATOM 106 CG LEU A 6 6.396 2.416 -4.088 1.00 0.00 C ATOM 107 CD1 LEU A 6 7.754 2.032 -4.680 1.00 0.00 C ATOM 108 CD2 LEU A 6 6.104 1.536 -2.869 1.00 0.00 C ATOM 0 H LEU A 6 4.446 4.489 -5.038 1.00 0.00 H new ATOM 0 HA LEU A 6 4.809 3.571 -2.224 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.591 4.515 -4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.244 4.064 -2.985 1.00 0.00 H new ATOM 0 HG LEU A 6 5.615 2.266 -4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.738 0.983 -4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.959 2.652 -5.553 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.533 2.187 -3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.089 0.489 -3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.880 1.686 -2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.135 1.806 -2.449 1.00 0.00 H new ATOM 120 N ALA A 7 5.240 5.708 -1.078 1.00 0.00 N ATOM 121 CA ALA A 7 5.365 7.018 -0.386 1.00 0.00 C ATOM 122 C ALA A 7 6.769 7.201 0.191 1.00 0.00 C ATOM 123 O ALA A 7 7.115 6.601 1.184 1.00 0.00 O ATOM 124 CB ALA A 7 4.345 6.934 0.738 1.00 0.00 C ATOM 0 H ALA A 7 5.166 4.899 -0.462 1.00 0.00 H new ATOM 0 HA ALA A 7 5.197 7.860 -1.058 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.360 7.860 1.313 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.351 6.784 0.317 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.592 6.098 1.392 1.00 0.00 H new ATOM 130 N ARG A 8 7.576 8.027 -0.417 1.00 0.00 N ATOM 131 CA ARG A 8 8.954 8.241 0.104 1.00 0.00 C ATOM 132 C ARG A 8 8.937 9.102 1.372 1.00 0.00 C ATOM 133 O ARG A 8 8.484 10.230 1.366 1.00 0.00 O ATOM 134 CB ARG A 8 9.696 8.959 -1.026 1.00 0.00 C ATOM 135 CG ARG A 8 11.098 9.352 -0.553 1.00 0.00 C ATOM 136 CD ARG A 8 11.963 9.716 -1.762 1.00 0.00 C ATOM 137 NE ARG A 8 11.823 11.195 -1.901 1.00 0.00 N ATOM 138 CZ ARG A 8 12.662 11.885 -2.639 1.00 0.00 C ATOM 139 NH1 ARG A 8 13.646 11.295 -3.271 1.00 0.00 N ATOM 140 NH2 ARG A 8 12.513 13.177 -2.742 1.00 0.00 N ATOM 0 H ARG A 8 7.340 8.563 -1.252 1.00 0.00 H new ATOM 0 HA ARG A 8 9.433 7.302 0.380 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.765 8.310 -1.899 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.142 9.847 -1.331 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.038 10.198 0.132 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.552 8.528 -0.003 1.00 0.00 H new ATOM 0 HD2 ARG A 8 13.003 9.430 -1.604 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.624 9.201 -2.660 1.00 0.00 H new ATOM 0 HE ARG A 8 11.066 11.677 -1.416 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.769 10.285 -3.194 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.289 11.845 -3.840 1.00 0.00 H new ATOM 0 HH21 ARG A 8 11.750 13.643 -2.252 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.160 13.721 -3.313 1.00 0.00 H new ATOM 276 N TYR A 17 9.533 3.150 1.062 1.00 0.00 N ATOM 277 CA TYR A 17 8.279 3.874 0.777 1.00 0.00 C ATOM 278 C TYR A 17 7.122 3.009 1.227 1.00 0.00 C ATOM 279 O TYR A 17 7.241 1.802 1.254 1.00 0.00 O ATOM 280 CB TYR A 17 8.179 3.994 -0.737 1.00 0.00 C ATOM 281 CG TYR A 17 9.453 4.484 -1.361 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.338 5.284 -0.644 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.728 4.145 -2.686 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.503 5.747 -1.248 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.887 4.605 -3.298 1.00 0.00 C ATOM 286 CZ TYR A 17 11.783 5.411 -2.581 1.00 0.00 C ATOM 287 OH TYR A 17 12.937 5.872 -3.184 1.00 0.00 O ATOM 0 HA TYR A 17 8.260 4.844 1.274 1.00 0.00 H new ATOM 0 HB2 TYR A 17 7.922 3.022 -1.159 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.368 4.676 -0.991 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.121 5.545 0.381 1.00 0.00 H new ATOM 0 HD2 TYR A 17 9.038 3.523 -3.237 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.191 6.365 -0.691 1.00 0.00 H new ATOM 0 HE2 TYR A 17 11.098 4.342 -4.324 1.00 0.00 H new ATOM 0 HH TYR A 17 12.976 5.546 -4.107 1.00 0.00 H new ATOM 297 N ARG A 18 5.990 3.571 1.514 1.00 0.00 N ATOM 298 CA ARG A 18 4.855 2.686 1.865 1.00 0.00 C ATOM 299 C ARG A 18 3.907 2.669 0.672 1.00 0.00 C ATOM 300 O ARG A 18 4.001 3.501 -0.210 1.00 0.00 O ATOM 301 CB ARG A 18 4.223 3.233 3.169 1.00 0.00 C ATOM 302 CG ARG A 18 2.928 4.020 2.904 1.00 0.00 C ATOM 303 CD ARG A 18 2.311 4.463 4.235 1.00 0.00 C ATOM 304 NE ARG A 18 3.347 5.317 4.891 1.00 0.00 N ATOM 305 CZ ARG A 18 4.192 4.820 5.767 1.00 0.00 C ATOM 306 NH1 ARG A 18 4.200 3.542 6.059 1.00 0.00 N ATOM 307 NH2 ARG A 18 5.051 5.613 6.347 1.00 0.00 N ATOM 0 H ARG A 18 5.802 4.574 1.522 1.00 0.00 H new ATOM 0 HA ARG A 18 5.145 1.654 2.061 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.010 2.403 3.843 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.941 3.878 3.675 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.141 4.890 2.283 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.221 3.400 2.353 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.388 5.020 4.074 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.060 3.603 4.857 1.00 0.00 H new ATOM 0 HE ARG A 18 3.400 6.308 4.654 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.541 2.911 5.603 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.865 3.179 6.742 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.062 6.607 6.119 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.711 5.239 7.028 1.00 0.00 H new ATOM 321 N ILE A 19 2.995 1.755 0.633 1.00 0.00 N ATOM 322 CA ILE A 19 2.055 1.725 -0.498 1.00 0.00 C ATOM 323 C ILE A 19 0.815 2.422 0.018 1.00 0.00 C ATOM 324 O ILE A 19 -0.082 1.824 0.578 1.00 0.00 O ATOM 325 CB ILE A 19 1.803 0.251 -0.862 1.00 0.00 C ATOM 326 CG1 ILE A 19 2.911 -0.674 -0.314 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.787 0.124 -2.384 1.00 0.00 C ATOM 328 CD1 ILE A 19 2.741 -2.095 -0.859 1.00 0.00 C ATOM 0 H ILE A 19 2.861 1.028 1.336 1.00 0.00 H new ATOM 0 HA ILE A 19 2.411 2.219 -1.402 1.00 0.00 H new ATOM 0 HB ILE A 19 0.853 -0.049 -0.420 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.890 -0.285 -0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.875 -0.689 0.775 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.609 -0.915 -2.661 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.993 0.749 -2.793 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.747 0.447 -2.786 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.530 -2.734 -0.463 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.770 -2.487 -0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.801 -2.077 -1.947 1.00 0.00 H new ATOM 340 N VAL A 20 0.831 3.716 -0.088 1.00 0.00 N ATOM 341 CA VAL A 20 -0.254 4.545 0.467 1.00 0.00 C ATOM 342 C VAL A 20 -1.266 4.929 -0.617 1.00 0.00 C ATOM 343 O VAL A 20 -1.031 4.749 -1.793 1.00 0.00 O ATOM 344 CB VAL A 20 0.528 5.753 1.037 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.497 6.958 0.092 1.00 0.00 C ATOM 346 CG2 VAL A 20 -0.052 6.154 2.384 1.00 0.00 C ATOM 0 H VAL A 20 1.573 4.243 -0.549 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.866 4.051 1.222 1.00 0.00 H new ATOM 0 HB VAL A 20 1.567 5.444 1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.058 7.781 0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.946 6.683 -0.863 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.536 7.268 -0.069 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.503 7.005 2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.100 6.429 2.262 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.025 5.316 3.077 1.00 0.00 H new ATOM 356 N VAL A 21 -2.403 5.428 -0.218 1.00 0.00 N ATOM 357 CA VAL A 21 -3.452 5.794 -1.209 1.00 0.00 C ATOM 358 C VAL A 21 -3.557 7.316 -1.328 1.00 0.00 C ATOM 359 O VAL A 21 -4.052 7.986 -0.443 1.00 0.00 O ATOM 360 CB VAL A 21 -4.776 5.202 -0.674 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.595 4.686 -1.849 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.531 4.035 0.287 1.00 0.00 C ATOM 0 H VAL A 21 -2.651 5.599 0.757 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.218 5.406 -2.200 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.302 5.991 -0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.532 4.266 -1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.808 5.508 -2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.032 3.914 -2.374 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.487 3.648 0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.988 3.245 -0.231 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.943 4.381 1.137 1.00 0.00 H new ATOM 372 N THR A 22 -3.092 7.866 -2.417 1.00 0.00 N ATOM 373 CA THR A 22 -3.161 9.347 -2.594 1.00 0.00 C ATOM 374 C THR A 22 -3.534 9.695 -4.039 1.00 0.00 C ATOM 375 O THR A 22 -3.896 8.840 -4.823 1.00 0.00 O ATOM 376 CB THR A 22 -1.752 9.861 -2.275 1.00 0.00 C ATOM 377 OG1 THR A 22 -1.662 11.234 -2.630 1.00 0.00 O ATOM 378 CG2 THR A 22 -0.712 9.064 -3.066 1.00 0.00 C ATOM 0 H THR A 22 -2.668 7.356 -3.191 1.00 0.00 H new ATOM 0 HA THR A 22 -3.916 9.796 -1.949 1.00 0.00 H new ATOM 0 HB THR A 22 -1.559 9.740 -1.209 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.763 11.566 -2.426 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.286 9.436 -2.833 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.779 8.010 -2.796 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.901 9.177 -4.133 1.00 0.00 H new ATOM 543 N TYR A 32 -1.577 11.470 1.511 1.00 0.00 N ATOM 544 CA TYR A 32 -2.531 10.427 1.029 1.00 0.00 C ATOM 545 C TYR A 32 -3.818 10.445 1.855 1.00 0.00 C ATOM 546 O TYR A 32 -4.001 11.272 2.728 1.00 0.00 O ATOM 547 CB TYR A 32 -1.806 9.086 1.210 1.00 0.00 C ATOM 548 CG TYR A 32 -1.196 9.010 2.594 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.996 8.700 3.698 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.172 9.254 2.769 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.432 8.633 4.976 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.737 9.187 4.047 1.00 0.00 C ATOM 553 CZ TYR A 32 -0.065 8.876 5.152 1.00 0.00 C ATOM 554 OH TYR A 32 0.491 8.811 6.413 1.00 0.00 O ATOM 0 HA TYR A 32 -2.816 10.600 -0.009 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.506 8.263 1.066 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.028 8.979 0.454 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.051 8.512 3.564 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.791 9.494 1.917 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.052 8.394 5.828 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.792 9.375 4.181 1.00 0.00 H new ATOM 0 HH TYR A 32 1.450 9.005 6.358 1.00 0.00 H new ATOM 564 N ILE A 33 -4.708 9.532 1.581 1.00 0.00 N ATOM 565 CA ILE A 33 -5.990 9.473 2.336 1.00 0.00 C ATOM 566 C ILE A 33 -5.888 8.416 3.443 1.00 0.00 C ATOM 567 O ILE A 33 -6.573 8.480 4.445 1.00 0.00 O ATOM 568 CB ILE A 33 -7.035 9.082 1.283 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.295 10.277 0.361 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.346 8.677 1.963 1.00 0.00 C ATOM 571 CD1 ILE A 33 -6.856 9.930 -1.063 1.00 0.00 C ATOM 0 H ILE A 33 -4.601 8.818 0.860 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.246 10.412 2.826 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.658 8.239 0.705 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.354 10.535 0.373 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.750 11.151 0.718 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.079 8.402 1.205 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.167 7.826 2.621 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.726 9.514 2.548 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.041 10.781 -1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.792 9.693 -1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.421 9.068 -1.418 1.00 0.00 H new ATOM 583 N GLU A 34 -5.032 7.446 3.267 1.00 0.00 N ATOM 584 CA GLU A 34 -4.877 6.384 4.303 1.00 0.00 C ATOM 585 C GLU A 34 -3.674 5.499 3.965 1.00 0.00 C ATOM 586 O GLU A 34 -3.191 5.494 2.851 1.00 0.00 O ATOM 587 CB GLU A 34 -6.172 5.575 4.239 1.00 0.00 C ATOM 588 CG GLU A 34 -6.823 5.542 5.624 1.00 0.00 C ATOM 589 CD GLU A 34 -8.087 4.679 5.578 1.00 0.00 C ATOM 590 OE1 GLU A 34 -8.250 3.947 4.615 1.00 0.00 O ATOM 591 OE2 GLU A 34 -8.874 4.766 6.507 1.00 0.00 O ATOM 0 H GLU A 34 -4.432 7.343 2.449 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.705 6.795 5.298 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.855 6.019 3.515 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.963 4.561 3.900 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.123 5.140 6.356 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.073 6.554 5.944 1.00 0.00 H new ATOM 598 N LYS A 35 -3.186 4.749 4.915 1.00 0.00 N ATOM 599 CA LYS A 35 -2.016 3.867 4.633 1.00 0.00 C ATOM 600 C LYS A 35 -2.471 2.408 4.520 1.00 0.00 C ATOM 601 O LYS A 35 -2.955 1.823 5.468 1.00 0.00 O ATOM 602 CB LYS A 35 -1.060 4.067 5.819 1.00 0.00 C ATOM 603 CG LYS A 35 -1.665 3.479 7.099 1.00 0.00 C ATOM 604 CD LYS A 35 -1.075 4.192 8.319 1.00 0.00 C ATOM 605 CE LYS A 35 -1.916 5.428 8.643 1.00 0.00 C ATOM 606 NZ LYS A 35 -1.139 6.161 9.682 1.00 0.00 N ATOM 0 H LYS A 35 -3.544 4.708 5.869 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.528 4.112 3.690 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.104 3.588 5.608 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.861 5.130 5.958 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.749 3.593 7.087 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.458 2.410 7.154 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.057 3.517 9.175 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.043 4.483 8.120 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.070 6.044 7.757 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.903 5.148 9.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.653 7.023 9.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.014 5.552 10.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.207 6.420 9.300 1.00 0.00 H new ATOM 620 N ILE A 36 -2.331 1.818 3.362 1.00 0.00 N ATOM 621 CA ILE A 36 -2.771 0.401 3.201 1.00 0.00 C ATOM 622 C ILE A 36 -1.581 -0.530 3.159 1.00 0.00 C ATOM 623 O ILE A 36 -1.666 -1.672 3.569 1.00 0.00 O ATOM 624 CB ILE A 36 -3.517 0.355 1.872 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.565 0.699 0.719 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.657 1.364 1.898 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.293 0.530 -0.611 1.00 0.00 C ATOM 0 H ILE A 36 -1.935 2.251 2.528 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.396 0.081 4.035 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.912 -0.650 1.722 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.207 1.724 0.822 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.689 0.051 0.751 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.192 1.333 0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.342 1.118 2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.254 2.364 2.055 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.616 0.775 -1.430 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.629 -0.502 -0.713 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.155 1.197 -0.641 1.00 0.00 H new ATOM 639 N GLY A 37 -0.484 -0.076 2.641 1.00 0.00 N ATOM 640 CA GLY A 37 0.673 -0.982 2.557 1.00 0.00 C ATOM 641 C GLY A 37 1.968 -0.312 2.970 1.00 0.00 C ATOM 642 O GLY A 37 2.034 0.867 3.256 1.00 0.00 O ATOM 0 H GLY A 37 -0.342 0.867 2.279 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.498 -1.849 3.193 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.768 -1.350 1.536 1.00 0.00 H new ATOM 646 N TYR A 38 3.007 -1.088 2.952 1.00 0.00 N ATOM 647 CA TYR A 38 4.365 -0.580 3.285 1.00 0.00 C ATOM 648 C TYR A 38 5.363 -1.225 2.317 1.00 0.00 C ATOM 649 O TYR A 38 5.171 -2.348 1.894 1.00 0.00 O ATOM 650 CB TYR A 38 4.633 -1.034 4.722 1.00 0.00 C ATOM 651 CG TYR A 38 6.021 -0.598 5.130 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.309 0.763 5.288 1.00 0.00 C ATOM 653 CD2 TYR A 38 7.020 -1.555 5.347 1.00 0.00 C ATOM 654 CE1 TYR A 38 7.595 1.167 5.663 1.00 0.00 C ATOM 655 CE2 TYR A 38 8.307 -1.150 5.724 1.00 0.00 C ATOM 656 CZ TYR A 38 8.594 0.212 5.881 1.00 0.00 C ATOM 657 OH TYR A 38 9.862 0.610 6.252 1.00 0.00 O ATOM 0 H TYR A 38 2.974 -2.079 2.715 1.00 0.00 H new ATOM 0 HA TYR A 38 4.454 0.503 3.200 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.891 -0.605 5.396 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.543 -2.118 4.797 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.539 1.501 5.120 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.798 -2.605 5.224 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.817 2.217 5.784 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.078 -1.888 5.894 1.00 0.00 H new ATOM 0 HH TYR A 38 10.433 -0.179 6.364 1.00 0.00 H new ATOM 667 N TYR A 39 6.424 -0.550 1.955 1.00 0.00 N ATOM 668 CA TYR A 39 7.394 -1.184 1.010 1.00 0.00 C ATOM 669 C TYR A 39 8.831 -0.790 1.386 1.00 0.00 C ATOM 670 O TYR A 39 9.130 0.370 1.589 1.00 0.00 O ATOM 671 CB TYR A 39 7.044 -0.639 -0.379 1.00 0.00 C ATOM 672 CG TYR A 39 8.033 -1.185 -1.385 1.00 0.00 C ATOM 673 CD1 TYR A 39 8.287 -2.559 -1.436 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.700 -0.319 -2.260 1.00 0.00 C ATOM 675 CE1 TYR A 39 9.206 -3.070 -2.361 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.618 -0.831 -3.187 1.00 0.00 C ATOM 677 CZ TYR A 39 9.870 -2.206 -3.237 1.00 0.00 C ATOM 678 OH TYR A 39 10.771 -2.711 -4.153 1.00 0.00 O ATOM 0 H TYR A 39 6.659 0.393 2.265 1.00 0.00 H new ATOM 0 HA TYR A 39 7.333 -2.272 1.041 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.030 -0.929 -0.653 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.074 0.451 -0.375 1.00 0.00 H new ATOM 0 HD1 TYR A 39 7.774 -3.227 -0.761 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.507 0.743 -2.221 1.00 0.00 H new ATOM 0 HE1 TYR A 39 9.402 -4.131 -2.398 1.00 0.00 H new ATOM 0 HE2 TYR A 39 10.131 -0.163 -3.863 1.00 0.00 H new ATOM 0 HH TYR A 39 11.142 -1.977 -4.685 1.00 0.00 H new ATOM 688 N ASP A 40 9.727 -1.734 1.479 1.00 0.00 N ATOM 689 CA ASP A 40 11.134 -1.382 1.836 1.00 0.00 C ATOM 690 C ASP A 40 12.123 -2.222 1.016 1.00 0.00 C ATOM 691 O ASP A 40 12.590 -3.245 1.473 1.00 0.00 O ATOM 692 CB ASP A 40 11.260 -1.712 3.324 1.00 0.00 C ATOM 693 CG ASP A 40 12.552 -1.105 3.875 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.041 -0.159 3.280 1.00 0.00 O ATOM 695 OD2 ASP A 40 13.032 -1.598 4.883 1.00 0.00 O ATOM 0 H ASP A 40 9.550 -2.727 1.325 1.00 0.00 H new ATOM 0 HA ASP A 40 11.359 -0.336 1.627 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.401 -1.320 3.868 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.263 -2.792 3.469 1.00 0.00 H new ATOM 838 N LEU A 49 7.837 -6.451 2.134 1.00 0.00 N ATOM 839 CA LEU A 49 6.441 -6.094 1.754 1.00 0.00 C ATOM 840 C LEU A 49 5.495 -6.244 2.948 1.00 0.00 C ATOM 841 O LEU A 49 5.271 -7.331 3.442 1.00 0.00 O ATOM 842 CB LEU A 49 6.064 -7.106 0.675 1.00 0.00 C ATOM 843 CG LEU A 49 4.885 -6.575 -0.143 1.00 0.00 C ATOM 844 CD1 LEU A 49 4.664 -7.479 -1.351 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.625 -6.566 0.726 1.00 0.00 C ATOM 0 HA LEU A 49 6.367 -5.061 1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.917 -7.291 0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.801 -8.059 1.133 1.00 0.00 H new ATOM 0 HG LEU A 49 5.100 -5.561 -0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.825 -7.105 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.562 -7.488 -1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.447 -8.492 -1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.784 -6.188 0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.407 -7.580 1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.785 -5.924 1.592 1.00 0.00 H new ATOM 857 N LYS A 50 4.924 -5.167 3.398 1.00 0.00 N ATOM 858 CA LYS A 50 3.972 -5.247 4.541 1.00 0.00 C ATOM 859 C LYS A 50 2.664 -4.562 4.147 1.00 0.00 C ATOM 860 O LYS A 50 2.484 -3.383 4.380 1.00 0.00 O ATOM 861 CB LYS A 50 4.654 -4.493 5.681 1.00 0.00 C ATOM 862 CG LYS A 50 4.819 -5.423 6.881 1.00 0.00 C ATOM 863 CD LYS A 50 6.293 -5.798 7.037 1.00 0.00 C ATOM 864 CE LYS A 50 6.424 -7.319 7.140 1.00 0.00 C ATOM 865 NZ LYS A 50 7.202 -7.553 8.387 1.00 0.00 N ATOM 0 H LYS A 50 5.074 -4.230 3.024 1.00 0.00 H new ATOM 0 HA LYS A 50 3.736 -6.272 4.828 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.627 -4.125 5.356 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.061 -3.622 5.961 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.460 -4.933 7.786 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.217 -6.321 6.744 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.865 -5.430 6.185 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.707 -5.325 7.928 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.446 -7.797 7.189 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.937 -7.731 6.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.334 -8.575 8.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.131 -7.092 8.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.686 -7.156 9.198 1.00 0.00 H new ATOM 879 N VAL A 51 1.756 -5.273 3.528 1.00 0.00 N ATOM 880 CA VAL A 51 0.489 -4.614 3.107 1.00 0.00 C ATOM 881 C VAL A 51 -0.730 -5.200 3.812 1.00 0.00 C ATOM 882 O VAL A 51 -0.814 -6.377 4.099 1.00 0.00 O ATOM 883 CB VAL A 51 0.401 -4.827 1.573 1.00 0.00 C ATOM 884 CG1 VAL A 51 -1.041 -5.119 1.118 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.853 -3.560 0.864 1.00 0.00 C ATOM 0 H VAL A 51 1.836 -6.264 3.300 1.00 0.00 H new ATOM 0 HA VAL A 51 0.494 -3.557 3.374 1.00 0.00 H new ATOM 0 HB VAL A 51 1.036 -5.678 1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.060 -5.262 0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.402 -6.022 1.610 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.683 -4.280 1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.793 -3.705 -0.215 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.208 -2.731 1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.882 -3.335 1.143 1.00 0.00 H new ATOM 895 N ASP A 52 -1.709 -4.368 4.000 1.00 0.00 N ATOM 896 CA ASP A 52 -2.985 -4.824 4.582 1.00 0.00 C ATOM 897 C ASP A 52 -3.926 -5.024 3.401 1.00 0.00 C ATOM 898 O ASP A 52 -4.885 -4.296 3.238 1.00 0.00 O ATOM 899 CB ASP A 52 -3.466 -3.678 5.473 1.00 0.00 C ATOM 900 CG ASP A 52 -4.324 -4.239 6.609 1.00 0.00 C ATOM 901 OD1 ASP A 52 -5.498 -4.474 6.376 1.00 0.00 O ATOM 902 OD2 ASP A 52 -3.793 -4.422 7.691 1.00 0.00 O ATOM 0 H ASP A 52 -1.674 -3.375 3.770 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.919 -5.743 5.164 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.612 -3.138 5.881 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.043 -2.964 4.885 1.00 0.00 H new ATOM 907 N VAL A 53 -3.602 -5.975 2.545 1.00 0.00 N ATOM 908 CA VAL A 53 -4.413 -6.236 1.304 1.00 0.00 C ATOM 909 C VAL A 53 -5.908 -5.975 1.542 1.00 0.00 C ATOM 910 O VAL A 53 -6.604 -5.541 0.652 1.00 0.00 O ATOM 911 CB VAL A 53 -4.116 -7.705 0.879 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.841 -8.599 2.091 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.295 -8.288 0.089 1.00 0.00 C ATOM 0 H VAL A 53 -2.796 -6.590 2.657 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.136 -5.554 0.500 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.225 -7.681 0.251 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.638 -9.616 1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.977 -8.218 2.636 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.712 -8.601 2.747 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.068 -9.315 -0.199 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.191 -8.275 0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.465 -7.689 -0.806 1.00 0.00 H new ATOM 923 N GLU A 54 -6.402 -6.200 2.726 1.00 0.00 N ATOM 924 CA GLU A 54 -7.838 -5.911 2.970 1.00 0.00 C ATOM 925 C GLU A 54 -8.086 -4.422 2.736 1.00 0.00 C ATOM 926 O GLU A 54 -8.938 -4.036 1.962 1.00 0.00 O ATOM 927 CB GLU A 54 -8.096 -6.289 4.429 1.00 0.00 C ATOM 928 CG GLU A 54 -9.582 -6.109 4.747 1.00 0.00 C ATOM 929 CD GLU A 54 -10.271 -7.474 4.754 1.00 0.00 C ATOM 930 OE1 GLU A 54 -9.957 -8.270 5.624 1.00 0.00 O ATOM 931 OE2 GLU A 54 -11.103 -7.700 3.891 1.00 0.00 O ATOM 0 H GLU A 54 -5.882 -6.566 3.523 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.501 -6.466 2.306 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.798 -7.322 4.606 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.494 -5.665 5.089 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.701 -5.625 5.716 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.047 -5.459 4.006 1.00 0.00 H new ATOM 938 N ARG A 55 -7.326 -3.585 3.382 1.00 0.00 N ATOM 939 CA ARG A 55 -7.493 -2.127 3.178 1.00 0.00 C ATOM 940 C ARG A 55 -6.865 -1.740 1.839 1.00 0.00 C ATOM 941 O ARG A 55 -7.352 -0.882 1.136 1.00 0.00 O ATOM 942 CB ARG A 55 -6.749 -1.476 4.340 1.00 0.00 C ATOM 943 CG ARG A 55 -7.733 -0.681 5.204 1.00 0.00 C ATOM 944 CD ARG A 55 -7.293 0.785 5.266 1.00 0.00 C ATOM 945 NE ARG A 55 -5.855 0.739 5.664 1.00 0.00 N ATOM 946 CZ ARG A 55 -5.505 0.575 6.919 1.00 0.00 C ATOM 947 NH1 ARG A 55 -6.406 0.435 7.859 1.00 0.00 N ATOM 948 NH2 ARG A 55 -4.239 0.541 7.233 1.00 0.00 N ATOM 0 H ARG A 55 -6.596 -3.851 4.043 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.537 -1.813 3.154 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.256 -2.239 4.942 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.968 -0.816 3.961 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.738 -0.752 4.788 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.773 -1.102 6.209 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.420 1.277 4.302 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.885 1.345 5.990 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.133 0.836 4.950 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.398 0.452 7.621 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.116 0.309 8.829 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.530 0.641 6.506 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.958 0.414 8.205 1.00 0.00 H new ATOM 962 N ALA A 56 -5.803 -2.394 1.458 1.00 0.00 N ATOM 963 CA ALA A 56 -5.187 -2.083 0.150 1.00 0.00 C ATOM 964 C ALA A 56 -6.169 -2.526 -0.942 1.00 0.00 C ATOM 965 O ALA A 56 -6.142 -2.038 -2.057 1.00 0.00 O ATOM 966 CB ALA A 56 -3.869 -2.874 0.126 1.00 0.00 C ATOM 0 H ALA A 56 -5.341 -3.126 1.997 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.979 -1.026 -0.014 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.353 -2.693 -0.817 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.236 -2.552 0.953 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.082 -3.938 0.225 1.00 0.00 H new ATOM 972 N ARG A 57 -7.075 -3.426 -0.611 1.00 0.00 N ATOM 973 CA ARG A 57 -8.080 -3.865 -1.608 1.00 0.00 C ATOM 974 C ARG A 57 -9.299 -2.934 -1.559 1.00 0.00 C ATOM 975 O ARG A 57 -10.044 -2.819 -2.510 1.00 0.00 O ATOM 976 CB ARG A 57 -8.474 -5.288 -1.206 1.00 0.00 C ATOM 977 CG ARG A 57 -9.548 -5.810 -2.162 1.00 0.00 C ATOM 978 CD ARG A 57 -9.561 -7.340 -2.131 1.00 0.00 C ATOM 979 NE ARG A 57 -9.906 -7.689 -0.723 1.00 0.00 N ATOM 980 CZ ARG A 57 -11.133 -7.554 -0.277 1.00 0.00 C ATOM 981 NH1 ARG A 57 -12.089 -7.111 -1.057 1.00 0.00 N ATOM 982 NH2 ARG A 57 -11.405 -7.864 0.960 1.00 0.00 N ATOM 0 H ARG A 57 -7.151 -3.866 0.306 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.687 -3.837 -2.624 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.601 -5.940 -1.233 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.848 -5.298 -0.182 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.525 -5.422 -1.875 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.350 -5.458 -3.175 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.294 -7.744 -2.830 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.591 -7.750 -2.414 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.179 -8.037 -0.098 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.884 -6.866 -2.026 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.038 -7.012 -0.695 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.667 -8.209 1.574 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.356 -7.762 1.314 1.00 0.00 H new ATOM 996 N TYR A 58 -9.482 -2.240 -0.461 1.00 0.00 N ATOM 997 CA TYR A 58 -10.619 -1.285 -0.350 1.00 0.00 C ATOM 998 C TYR A 58 -10.428 -0.250 -1.434 1.00 0.00 C ATOM 999 O TYR A 58 -11.309 0.074 -2.206 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.442 -0.659 1.045 1.00 0.00 C ATOM 1001 CG TYR A 58 -11.002 0.755 1.116 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.197 1.070 0.461 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.322 1.746 1.844 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.716 2.368 0.530 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.846 3.044 1.914 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.042 3.354 1.258 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.556 4.632 1.328 1.00 0.00 O ATOM 0 H TYR A 58 -8.887 -2.298 0.365 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.608 -1.728 -0.463 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.940 -1.283 1.787 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.383 -0.642 1.302 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.721 0.310 -0.099 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.397 1.508 2.349 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.638 2.608 0.021 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.326 3.806 2.475 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.855 5.279 1.106 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.247 0.254 -1.466 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.884 1.276 -2.460 1.00 0.00 C ATOM 1019 C TRP A 59 -9.022 0.695 -3.847 1.00 0.00 C ATOM 1020 O TRP A 59 -9.735 1.211 -4.683 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.458 1.627 -2.091 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.573 2.365 -0.813 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -7.146 1.951 0.393 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.246 3.616 -0.607 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.481 2.914 1.334 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -8.169 3.964 0.756 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.894 4.479 -1.488 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.730 5.147 1.233 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.464 5.667 -1.020 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.383 6.004 0.338 1.00 0.00 C ATOM 0 H TRP A 59 -8.495 -0.005 -0.828 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.516 2.164 -2.461 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.846 0.732 -1.978 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.989 2.239 -2.861 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.629 1.025 0.595 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.249 2.855 2.326 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.956 4.229 -2.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.662 5.400 2.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.969 6.328 -1.708 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.824 6.924 0.694 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.401 -0.414 -4.084 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.561 -1.068 -5.410 1.00 0.00 C ATOM 1043 C LEU A 60 -10.064 -1.253 -5.678 1.00 0.00 C ATOM 1044 O LEU A 60 -10.497 -1.378 -6.806 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.863 -2.421 -5.276 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.355 -2.239 -5.447 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.648 -3.578 -5.225 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.063 -1.739 -6.863 1.00 0.00 C ATOM 0 H LEU A 60 -7.791 -0.899 -3.425 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.139 -0.490 -6.232 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.079 -2.858 -4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.243 -3.114 -6.027 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.992 -1.513 -4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.573 -3.446 -5.347 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.857 -3.937 -4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.010 -4.305 -5.952 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.988 -1.608 -6.988 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.427 -2.467 -7.588 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.566 -0.785 -7.023 1.00 0.00 H new ATOM 1060 N SER A 61 -10.860 -1.264 -4.629 1.00 0.00 N ATOM 1061 CA SER A 61 -12.329 -1.431 -4.801 1.00 0.00 C ATOM 1062 C SER A 61 -12.991 -0.102 -5.197 1.00 0.00 C ATOM 1063 O SER A 61 -14.057 -0.089 -5.780 1.00 0.00 O ATOM 1064 CB SER A 61 -12.837 -1.897 -3.437 1.00 0.00 C ATOM 1065 OG SER A 61 -13.390 -3.202 -3.561 1.00 0.00 O ATOM 0 H SER A 61 -10.547 -1.164 -3.663 1.00 0.00 H new ATOM 0 HA SER A 61 -12.565 -2.141 -5.594 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.021 -1.903 -2.715 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.590 -1.205 -3.061 1.00 0.00 H new ATOM 0 HG SER A 61 -13.715 -3.504 -2.687 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.376 1.017 -4.899 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.991 2.315 -5.278 1.00 0.00 C ATOM 1073 C VAL A 62 -12.349 2.830 -6.564 1.00 0.00 C ATOM 1074 O VAL A 62 -12.200 4.018 -6.771 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.718 3.279 -4.111 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -13.160 2.653 -2.787 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.225 3.615 -4.032 1.00 0.00 C ATOM 0 H VAL A 62 -11.481 1.082 -4.413 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.062 2.220 -5.460 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.286 4.192 -4.288 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.960 3.348 -1.971 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.228 2.436 -2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.608 1.728 -2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.049 4.298 -3.201 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.654 2.700 -3.876 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.908 4.087 -4.962 1.00 0.00 H new ATOM 1087 N GLY A 63 -11.966 1.935 -7.422 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.325 2.347 -8.701 1.00 0.00 C ATOM 1089 C GLY A 63 -9.938 2.927 -8.419 1.00 0.00 C ATOM 1090 O GLY A 63 -9.455 3.779 -9.139 1.00 0.00 O ATOM 0 H GLY A 63 -12.069 0.928 -7.295 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.242 1.490 -9.370 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.944 3.088 -9.207 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.288 2.476 -7.379 1.00 0.00 N ATOM 1095 CA ALA A 64 -7.935 3.010 -7.066 1.00 0.00 C ATOM 1096 C ALA A 64 -6.931 2.544 -8.122 1.00 0.00 C ATOM 1097 O ALA A 64 -6.832 1.371 -8.422 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.581 2.433 -5.696 1.00 0.00 C ATOM 0 H ALA A 64 -9.635 1.764 -6.737 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.913 4.100 -7.062 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.593 2.784 -5.398 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.319 2.759 -4.962 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.578 1.344 -5.749 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.189 3.453 -8.689 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.194 3.059 -9.727 1.00 0.00 C ATOM 1106 C GLN A 65 -3.799 2.916 -9.097 1.00 0.00 C ATOM 1107 O GLN A 65 -3.191 3.898 -8.717 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.214 4.201 -10.743 1.00 0.00 C ATOM 1109 CG GLN A 65 -6.021 3.782 -11.973 1.00 0.00 C ATOM 1110 CD GLN A 65 -6.964 4.918 -12.376 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -7.362 5.714 -11.549 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -7.339 5.029 -13.621 1.00 0.00 N ATOM 0 H GLN A 65 -6.227 4.451 -8.480 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.431 2.100 -10.188 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.653 5.092 -10.294 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.196 4.459 -11.035 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.349 3.543 -12.798 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.593 2.880 -11.756 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.005 4.361 -14.316 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.966 5.784 -13.899 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.332 1.692 -9.002 1.00 0.00 N ATOM 1122 CA PRO A 66 -1.998 1.436 -8.415 1.00 0.00 C ATOM 1123 C PRO A 66 -0.903 1.680 -9.458 1.00 0.00 C ATOM 1124 O PRO A 66 -1.019 1.276 -10.598 1.00 0.00 O ATOM 1125 CB PRO A 66 -2.056 -0.039 -8.033 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.078 -0.651 -8.941 1.00 0.00 C ATOM 1127 CD PRO A 66 -3.994 0.449 -9.421 1.00 0.00 C ATOM 0 HA PRO A 66 -1.768 2.085 -7.570 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.084 -0.515 -8.160 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.337 -0.162 -6.987 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.593 -1.139 -9.786 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.646 -1.417 -8.414 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.123 0.414 -10.503 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.986 0.360 -8.979 1.00 0.00 H new ATOM 1135 N THR A 67 0.165 2.327 -9.076 1.00 0.00 N ATOM 1136 CA THR A 67 1.265 2.580 -10.050 1.00 0.00 C ATOM 1137 C THR A 67 1.838 1.246 -10.532 1.00 0.00 C ATOM 1138 O THR A 67 1.405 0.194 -10.114 1.00 0.00 O ATOM 1139 CB THR A 67 2.318 3.371 -9.269 1.00 0.00 C ATOM 1140 OG1 THR A 67 2.298 2.969 -7.906 1.00 0.00 O ATOM 1141 CG2 THR A 67 2.009 4.866 -9.368 1.00 0.00 C ATOM 0 H THR A 67 0.323 2.690 -8.136 1.00 0.00 H new ATOM 0 HA THR A 67 0.928 3.126 -10.931 1.00 0.00 H new ATOM 0 HB THR A 67 3.305 3.177 -9.689 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.071 3.351 -7.441 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.758 5.430 -8.812 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.026 5.173 -10.414 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.022 5.062 -8.949 1.00 0.00 H new ATOM 1149 N ASP A 68 2.804 1.276 -11.406 1.00 0.00 N ATOM 1150 CA ASP A 68 3.390 -0.001 -11.907 1.00 0.00 C ATOM 1151 C ASP A 68 4.196 -0.692 -10.802 1.00 0.00 C ATOM 1152 O ASP A 68 4.472 -1.873 -10.866 1.00 0.00 O ATOM 1153 CB ASP A 68 4.304 0.407 -13.064 1.00 0.00 C ATOM 1154 CG ASP A 68 5.426 1.306 -12.541 1.00 0.00 C ATOM 1155 OD1 ASP A 68 5.132 2.191 -11.754 1.00 0.00 O ATOM 1156 OD2 ASP A 68 6.560 1.095 -12.937 1.00 0.00 O ATOM 0 H ASP A 68 3.213 2.126 -11.795 1.00 0.00 H new ATOM 0 HA ASP A 68 2.622 -0.707 -12.223 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.726 -0.480 -13.537 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.729 0.932 -13.827 1.00 0.00 H new ATOM 1161 N THR A 69 4.577 0.038 -9.791 1.00 0.00 N ATOM 1162 CA THR A 69 5.369 -0.572 -8.682 1.00 0.00 C ATOM 1163 C THR A 69 4.444 -1.047 -7.562 1.00 0.00 C ATOM 1164 O THR A 69 4.528 -2.169 -7.105 1.00 0.00 O ATOM 1165 CB THR A 69 6.250 0.551 -8.162 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.531 1.475 -9.205 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.559 -0.024 -7.618 1.00 0.00 C ATOM 0 H THR A 69 4.375 1.032 -9.683 1.00 0.00 H new ATOM 0 HA THR A 69 5.941 -1.434 -9.024 1.00 0.00 H new ATOM 0 HB THR A 69 5.723 1.069 -7.360 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.098 2.196 -8.859 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.186 0.787 -7.247 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.342 -0.717 -6.805 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.083 -0.552 -8.414 1.00 0.00 H new ATOM 1175 N ALA A 70 3.561 -0.196 -7.115 1.00 0.00 N ATOM 1176 CA ALA A 70 2.633 -0.588 -6.029 1.00 0.00 C ATOM 1177 C ALA A 70 1.658 -1.622 -6.564 1.00 0.00 C ATOM 1178 O ALA A 70 1.134 -2.438 -5.830 1.00 0.00 O ATOM 1179 CB ALA A 70 1.906 0.697 -5.634 1.00 0.00 C ATOM 0 H ALA A 70 3.446 0.757 -7.460 1.00 0.00 H new ATOM 0 HA ALA A 70 3.142 -1.028 -5.172 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.200 0.484 -4.832 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.632 1.435 -5.292 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.368 1.090 -6.496 1.00 0.00 H new ATOM 1185 N ARG A 71 1.435 -1.617 -7.848 1.00 0.00 N ATOM 1186 CA ARG A 71 0.529 -2.621 -8.422 1.00 0.00 C ATOM 1187 C ARG A 71 1.221 -3.965 -8.296 1.00 0.00 C ATOM 1188 O ARG A 71 0.612 -4.971 -7.989 1.00 0.00 O ATOM 1189 CB ARG A 71 0.345 -2.226 -9.889 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.402 -3.336 -10.634 1.00 0.00 C ATOM 1191 CD ARG A 71 -1.023 -2.763 -11.910 1.00 0.00 C ATOM 1192 NE ARG A 71 -0.878 -3.843 -12.928 1.00 0.00 N ATOM 1193 CZ ARG A 71 0.282 -4.084 -13.493 1.00 0.00 C ATOM 1194 NH1 ARG A 71 1.342 -3.381 -13.182 1.00 0.00 N ATOM 1195 NH2 ARG A 71 0.381 -5.038 -14.378 1.00 0.00 N ATOM 0 H ARG A 71 1.843 -0.961 -8.513 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.441 -2.678 -7.928 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.212 -1.291 -9.957 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.316 -2.053 -10.353 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.283 -4.147 -10.882 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.179 -3.758 -9.996 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.070 -2.503 -11.757 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.511 -1.853 -12.224 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.691 -4.402 -13.189 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.274 -2.633 -12.491 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.236 -3.581 -13.630 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.440 -5.590 -14.626 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.279 -5.231 -14.821 1.00 0.00 H new ATOM 1209 N ARG A 72 2.512 -3.978 -8.500 1.00 0.00 N ATOM 1210 CA ARG A 72 3.258 -5.248 -8.366 1.00 0.00 C ATOM 1211 C ARG A 72 3.212 -5.692 -6.909 1.00 0.00 C ATOM 1212 O ARG A 72 3.065 -6.859 -6.604 1.00 0.00 O ATOM 1213 CB ARG A 72 4.690 -4.927 -8.795 1.00 0.00 C ATOM 1214 CG ARG A 72 5.067 -5.777 -10.009 1.00 0.00 C ATOM 1215 CD ARG A 72 6.521 -5.493 -10.398 1.00 0.00 C ATOM 1216 NE ARG A 72 6.984 -6.721 -11.109 1.00 0.00 N ATOM 1217 CZ ARG A 72 6.693 -6.920 -12.374 1.00 0.00 C ATOM 1218 NH1 ARG A 72 5.967 -6.059 -13.045 1.00 0.00 N ATOM 1219 NH2 ARG A 72 7.129 -7.995 -12.972 1.00 0.00 N ATOM 0 H ARG A 72 3.074 -3.165 -8.752 1.00 0.00 H new ATOM 0 HA ARG A 72 2.842 -6.053 -8.972 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.778 -3.868 -9.039 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.379 -5.123 -7.973 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.941 -6.835 -9.779 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.405 -5.551 -10.845 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.592 -4.616 -11.041 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.132 -5.294 -9.518 1.00 0.00 H new ATOM 0 HE ARG A 72 7.535 -7.416 -10.605 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.618 -5.218 -12.585 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.751 -6.230 -14.027 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.691 -8.673 -12.457 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.908 -8.157 -13.954 1.00 0.00 H new ATOM 1233 N LEU A 73 3.325 -4.759 -6.005 1.00 0.00 N ATOM 1234 CA LEU A 73 3.273 -5.104 -4.569 1.00 0.00 C ATOM 1235 C LEU A 73 1.838 -5.431 -4.183 1.00 0.00 C ATOM 1236 O LEU A 73 1.590 -6.197 -3.278 1.00 0.00 O ATOM 1237 CB LEU A 73 3.782 -3.866 -3.837 1.00 0.00 C ATOM 1238 CG LEU A 73 5.182 -3.530 -4.345 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.584 -2.135 -3.867 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.180 -4.560 -3.810 1.00 0.00 C ATOM 0 H LEU A 73 3.452 -3.767 -6.207 1.00 0.00 H new ATOM 0 HA LEU A 73 3.877 -5.976 -4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.109 -3.026 -4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.804 -4.046 -2.762 1.00 0.00 H new ATOM 0 HG LEU A 73 5.184 -3.552 -5.435 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.584 -1.899 -4.232 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.875 -1.401 -4.250 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.580 -2.109 -2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.180 -4.320 -4.173 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.175 -4.540 -2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.897 -5.554 -4.156 1.00 0.00 H new ATOM 1252 N LEU A 74 0.886 -4.888 -4.893 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.523 -5.221 -4.587 1.00 0.00 C ATOM 1254 C LEU A 74 -0.771 -6.649 -5.065 1.00 0.00 C ATOM 1255 O LEU A 74 -1.606 -7.363 -4.548 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.364 -4.213 -5.371 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.484 -2.922 -4.560 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -2.304 -1.898 -5.342 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -2.177 -3.220 -3.229 1.00 0.00 C ATOM 0 H LEU A 74 1.027 -4.235 -5.664 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.769 -5.168 -3.526 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.902 -4.009 -6.337 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.353 -4.624 -5.572 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.489 -2.520 -4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.388 -0.979 -4.762 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.811 -1.684 -6.290 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.300 -2.298 -5.533 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.263 -2.301 -2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.171 -3.624 -3.419 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.591 -3.948 -2.669 1.00 0.00 H new ATOM 1271 N ARG A 75 -0.007 -7.073 -6.039 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.133 -8.452 -6.553 1.00 0.00 C ATOM 1273 C ARG A 75 0.648 -9.381 -5.630 1.00 0.00 C ATOM 1274 O ARG A 75 0.301 -10.528 -5.433 1.00 0.00 O ATOM 1275 CB ARG A 75 0.512 -8.410 -7.939 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.216 -9.372 -8.874 1.00 0.00 C ATOM 1277 CD ARG A 75 0.707 -10.540 -9.227 1.00 0.00 C ATOM 1278 NE ARG A 75 0.484 -11.547 -8.148 1.00 0.00 N ATOM 1279 CZ ARG A 75 1.270 -12.592 -8.031 1.00 0.00 C ATOM 1280 NH1 ARG A 75 2.269 -12.779 -8.857 1.00 0.00 N ATOM 1281 NH2 ARG A 75 1.053 -13.455 -7.077 1.00 0.00 N ATOM 0 H ARG A 75 0.706 -6.508 -6.500 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.162 -8.807 -6.600 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.471 -7.397 -8.340 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.565 -8.682 -7.869 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.123 -9.743 -8.396 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.524 -8.851 -9.781 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.466 -10.952 -10.207 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.749 -10.223 -9.262 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.288 -11.422 -7.494 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.445 -12.108 -9.604 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.871 -13.596 -8.753 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.278 -13.315 -6.429 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.659 -14.270 -6.979 1.00 0.00 H new ATOM 1295 N GLN A 76 1.711 -8.876 -5.062 1.00 0.00 N ATOM 1296 CA GLN A 76 2.536 -9.691 -4.152 1.00 0.00 C ATOM 1297 C GLN A 76 1.894 -9.745 -2.780 1.00 0.00 C ATOM 1298 O GLN A 76 1.894 -10.757 -2.109 1.00 0.00 O ATOM 1299 CB GLN A 76 3.863 -8.956 -4.120 1.00 0.00 C ATOM 1300 CG GLN A 76 4.961 -9.888 -3.619 1.00 0.00 C ATOM 1301 CD GLN A 76 5.266 -10.927 -4.697 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.344 -12.107 -4.417 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.441 -10.534 -5.929 1.00 0.00 N ATOM 0 H GLN A 76 2.039 -7.920 -5.198 1.00 0.00 H new ATOM 0 HA GLN A 76 2.648 -10.727 -4.472 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.111 -8.591 -5.117 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.790 -8.084 -3.470 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.859 -9.318 -3.382 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.645 -10.381 -2.700 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.375 -9.543 -6.162 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.644 -11.218 -6.658 1.00 0.00 H new ATOM 1312 N ALA A 77 1.318 -8.663 -2.377 1.00 0.00 N ATOM 1313 CA ALA A 77 0.634 -8.631 -1.062 1.00 0.00 C ATOM 1314 C ALA A 77 -0.533 -9.632 -1.055 1.00 0.00 C ATOM 1315 O ALA A 77 -1.089 -9.942 -0.020 1.00 0.00 O ATOM 1316 CB ALA A 77 0.119 -7.198 -0.911 1.00 0.00 C ATOM 0 H ALA A 77 1.288 -7.789 -2.903 1.00 0.00 H new ATOM 0 HA ALA A 77 1.297 -8.907 -0.242 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.401 -7.097 0.042 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.959 -6.504 -0.942 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.569 -6.971 -1.725 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.905 -10.143 -2.205 1.00 0.00 N ATOM 1323 CA GLY A 78 -2.030 -11.122 -2.261 1.00 0.00 C ATOM 1324 C GLY A 78 -3.361 -10.375 -2.354 1.00 0.00 C ATOM 1325 O GLY A 78 -4.344 -10.770 -1.761 1.00 0.00 O ATOM 0 H GLY A 78 -0.477 -9.923 -3.104 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.910 -11.779 -3.122 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.019 -11.755 -1.373 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.402 -9.295 -3.088 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.670 -8.524 -3.200 1.00 0.00 C ATOM 1331 C VAL A 79 -5.505 -8.995 -4.393 1.00 0.00 C ATOM 1332 O VAL A 79 -6.665 -9.327 -4.253 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.242 -7.075 -3.390 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.478 -6.174 -3.389 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.309 -6.656 -2.252 1.00 0.00 C ATOM 0 H VAL A 79 -2.614 -8.916 -3.613 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.295 -8.658 -2.317 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.718 -6.978 -4.341 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.172 -5.137 -3.525 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.142 -6.466 -4.203 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.002 -6.276 -2.439 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.006 -5.619 -2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.829 -6.756 -1.299 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.426 -7.295 -2.252 1.00 0.00 H new