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 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.239 K(o=-0.24,f=-6.1!) USER MOD Single : A 67 THR OG1 : rot 170:sc= -0.173 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0369 USER MOD Single : A 76 GLN : amide:sc= -0.502 X(o=-0.5,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.383 8.282 -7.224 1.00 0.00 N ATOM 21 CA VAL A 2 -7.513 7.709 -6.155 1.00 0.00 C ATOM 22 C VAL A 2 -6.470 6.766 -6.759 1.00 0.00 C ATOM 23 O VAL A 2 -6.773 5.940 -7.597 1.00 0.00 O ATOM 24 CB VAL A 2 -8.464 6.937 -5.242 1.00 0.00 C ATOM 25 CG1 VAL A 2 -7.672 6.310 -4.092 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.512 7.898 -4.674 1.00 0.00 C ATOM 0 HA VAL A 2 -6.964 8.482 -5.617 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.959 6.151 -5.812 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.351 5.759 -3.441 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.923 5.628 -4.495 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.178 7.095 -3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.192 7.350 -4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.015 8.682 -4.103 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.076 8.346 -5.492 1.00 0.00 H new ATOM 36 N LYS A 3 -5.241 6.883 -6.338 1.00 0.00 N ATOM 37 CA LYS A 3 -4.176 5.993 -6.880 1.00 0.00 C ATOM 38 C LYS A 3 -3.223 5.570 -5.758 1.00 0.00 C ATOM 39 O LYS A 3 -2.792 6.384 -4.963 1.00 0.00 O ATOM 40 CB LYS A 3 -3.437 6.843 -7.915 1.00 0.00 C ATOM 41 CG LYS A 3 -4.431 7.384 -8.943 1.00 0.00 C ATOM 42 CD LYS A 3 -3.669 7.935 -10.151 1.00 0.00 C ATOM 43 CE LYS A 3 -3.481 6.822 -11.184 1.00 0.00 C ATOM 44 NZ LYS A 3 -2.890 7.495 -12.373 1.00 0.00 N ATOM 0 H LYS A 3 -4.928 7.558 -5.640 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.582 5.081 -7.317 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.924 7.669 -7.422 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.674 6.245 -8.413 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.111 6.592 -9.259 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.041 8.169 -8.496 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.218 8.767 -10.592 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.700 8.323 -9.838 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.823 6.040 -10.806 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.431 6.348 -11.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.732 6.795 -13.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -3.541 8.230 -12.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.983 7.931 -12.110 1.00 0.00 H new ATOM 58 N ILE A 4 -2.879 4.312 -5.686 1.00 0.00 N ATOM 59 CA ILE A 4 -1.946 3.869 -4.617 1.00 0.00 C ATOM 60 C ILE A 4 -0.529 3.733 -5.192 1.00 0.00 C ATOM 61 O ILE A 4 -0.333 3.183 -6.257 1.00 0.00 O ATOM 62 CB ILE A 4 -2.496 2.535 -4.112 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.806 2.785 -3.365 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.488 1.882 -3.165 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.557 1.466 -3.215 1.00 0.00 C ATOM 0 H ILE A 4 -3.202 3.579 -6.317 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.877 4.582 -3.796 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.672 1.872 -4.959 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.603 3.215 -2.384 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.417 3.505 -3.909 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.886 0.932 -2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.551 1.707 -3.695 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.307 2.541 -2.316 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.492 1.638 -2.683 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.771 1.055 -4.202 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.945 0.761 -2.653 1.00 0.00 H new ATOM 77 N ARG A 5 0.457 4.250 -4.502 1.00 0.00 N ATOM 78 CA ARG A 5 1.852 4.171 -5.018 1.00 0.00 C ATOM 79 C ARG A 5 2.855 4.157 -3.862 1.00 0.00 C ATOM 80 O ARG A 5 2.485 4.077 -2.713 1.00 0.00 O ATOM 81 CB ARG A 5 2.034 5.427 -5.873 1.00 0.00 C ATOM 82 CG ARG A 5 1.814 6.670 -5.010 1.00 0.00 C ATOM 83 CD ARG A 5 1.166 7.771 -5.852 1.00 0.00 C ATOM 84 NE ARG A 5 2.287 8.685 -6.220 1.00 0.00 N ATOM 85 CZ ARG A 5 2.837 9.472 -5.324 1.00 0.00 C ATOM 86 NH1 ARG A 5 2.417 9.474 -4.083 1.00 0.00 N ATOM 87 NH2 ARG A 5 3.814 10.262 -5.674 1.00 0.00 N ATOM 0 H ARG A 5 0.353 4.723 -3.604 1.00 0.00 H new ATOM 0 HA ARG A 5 2.023 3.259 -5.590 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.035 5.444 -6.305 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.329 5.419 -6.704 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.177 6.427 -4.159 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.765 7.018 -4.607 1.00 0.00 H new ATOM 0 HD2 ARG A 5 0.686 7.358 -6.739 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.396 8.298 -5.288 1.00 0.00 H new ATOM 0 HE ARG A 5 2.631 8.699 -7.180 1.00 0.00 H new ATOM 0 HH11 ARG A 5 1.653 8.859 -3.802 1.00 0.00 H new ATOM 0 HH12 ARG A 5 2.854 10.091 -3.398 1.00 0.00 H new ATOM 0 HH21 ARG A 5 4.146 10.266 -6.638 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.246 10.876 -4.983 1.00 0.00 H new ATOM 101 N LEU A 6 4.125 4.246 -4.162 1.00 0.00 N ATOM 102 CA LEU A 6 5.154 4.233 -3.078 1.00 0.00 C ATOM 103 C LEU A 6 5.436 5.654 -2.574 1.00 0.00 C ATOM 104 O LEU A 6 5.747 6.544 -3.341 1.00 0.00 O ATOM 105 CB LEU A 6 6.403 3.646 -3.732 1.00 0.00 C ATOM 106 CG LEU A 6 6.288 2.122 -3.777 1.00 0.00 C ATOM 107 CD1 LEU A 6 5.752 1.690 -5.144 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.668 1.501 -3.554 1.00 0.00 C ATOM 0 H LEU A 6 4.494 4.327 -5.109 1.00 0.00 H new ATOM 0 HA LEU A 6 4.826 3.656 -2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.518 4.042 -4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.291 3.938 -3.171 1.00 0.00 H new ATOM 0 HG LEU A 6 5.606 1.786 -2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.670 0.604 -5.176 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.769 2.133 -5.306 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.434 2.025 -5.925 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.587 0.414 -3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.349 1.837 -4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.052 1.808 -2.581 1.00 0.00 H new ATOM 120 N ALA A 7 5.320 5.869 -1.289 1.00 0.00 N ATOM 121 CA ALA A 7 5.568 7.230 -0.727 1.00 0.00 C ATOM 122 C ALA A 7 6.970 7.334 -0.118 1.00 0.00 C ATOM 123 O ALA A 7 7.208 6.866 0.972 1.00 0.00 O ATOM 124 CB ALA A 7 4.523 7.371 0.369 1.00 0.00 C ATOM 0 H ALA A 7 5.064 5.159 -0.603 1.00 0.00 H new ATOM 0 HA ALA A 7 5.504 8.004 -1.492 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.625 8.346 0.845 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.527 7.281 -0.064 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.667 6.587 1.113 1.00 0.00 H new ATOM 130 N ARG A 8 7.889 7.952 -0.808 1.00 0.00 N ATOM 131 CA ARG A 8 9.274 8.088 -0.268 1.00 0.00 C ATOM 132 C ARG A 8 9.319 9.035 0.936 1.00 0.00 C ATOM 133 O ARG A 8 9.013 10.206 0.826 1.00 0.00 O ATOM 134 CB ARG A 8 10.084 8.685 -1.416 1.00 0.00 C ATOM 135 CG ARG A 8 11.577 8.581 -1.093 1.00 0.00 C ATOM 136 CD ARG A 8 12.293 9.849 -1.565 1.00 0.00 C ATOM 137 NE ARG A 8 12.754 9.534 -2.948 1.00 0.00 N ATOM 138 CZ ARG A 8 13.494 10.385 -3.621 1.00 0.00 C ATOM 139 NH1 ARG A 8 13.859 11.525 -3.093 1.00 0.00 N ATOM 140 NH2 ARG A 8 13.870 10.087 -4.835 1.00 0.00 N ATOM 0 H ARG A 8 7.741 8.371 -1.726 1.00 0.00 H new ATOM 0 HA ARG A 8 9.659 7.128 0.075 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.864 8.157 -2.344 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.805 9.728 -1.568 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.719 8.449 -0.020 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.005 7.706 -1.582 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.622 10.708 -1.558 1.00 0.00 H new ATOM 0 HD3 ARG A 8 13.132 10.095 -0.915 1.00 0.00 H new ATOM 0 HE ARG A 8 12.491 8.646 -3.377 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.569 11.764 -2.145 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.434 12.175 -3.629 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.589 9.200 -5.253 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.445 10.741 -5.366 1.00 0.00 H new ATOM 276 N TYR A 17 9.345 3.275 1.129 1.00 0.00 N ATOM 277 CA TYR A 17 8.148 4.027 0.714 1.00 0.00 C ATOM 278 C TYR A 17 6.924 3.278 1.188 1.00 0.00 C ATOM 279 O TYR A 17 6.954 2.074 1.327 1.00 0.00 O ATOM 280 CB TYR A 17 8.124 4.018 -0.811 1.00 0.00 C ATOM 281 CG TYR A 17 9.456 4.380 -1.413 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.538 3.500 -1.323 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.593 5.589 -2.097 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.757 3.832 -1.912 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.811 5.924 -2.687 1.00 0.00 C ATOM 286 CZ TYR A 17 11.899 5.045 -2.596 1.00 0.00 C ATOM 287 OH TYR A 17 13.107 5.371 -3.180 1.00 0.00 O ATOM 0 HA TYR A 17 8.161 5.039 1.119 1.00 0.00 H new ATOM 0 HB2 TYR A 17 7.828 3.029 -1.160 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.368 4.719 -1.163 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.430 2.563 -0.797 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.754 6.266 -2.169 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.593 3.152 -1.840 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.916 6.861 -3.214 1.00 0.00 H new ATOM 0 HH TYR A 17 13.034 6.246 -3.615 1.00 0.00 H new ATOM 297 N ARG A 18 5.833 3.946 1.381 1.00 0.00 N ATOM 298 CA ARG A 18 4.618 3.199 1.771 1.00 0.00 C ATOM 299 C ARG A 18 3.771 3.024 0.534 1.00 0.00 C ATOM 300 O ARG A 18 3.841 3.809 -0.390 1.00 0.00 O ATOM 301 CB ARG A 18 3.862 4.045 2.786 1.00 0.00 C ATOM 302 CG ARG A 18 4.504 3.897 4.166 1.00 0.00 C ATOM 303 CD ARG A 18 3.478 3.311 5.142 1.00 0.00 C ATOM 304 NE ARG A 18 4.099 3.454 6.490 1.00 0.00 N ATOM 305 CZ ARG A 18 3.638 2.781 7.518 1.00 0.00 C ATOM 306 NH1 ARG A 18 2.616 1.972 7.390 1.00 0.00 N ATOM 307 NH2 ARG A 18 4.204 2.923 8.684 1.00 0.00 N ATOM 0 H ARG A 18 5.728 4.956 1.288 1.00 0.00 H new ATOM 0 HA ARG A 18 4.861 2.227 2.200 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.872 5.091 2.481 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.818 3.735 2.826 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.378 3.248 4.106 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.851 4.866 4.524 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.530 3.846 5.086 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.268 2.266 4.913 1.00 0.00 H new ATOM 0 HE ARG A 18 4.892 4.083 6.615 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.166 1.858 6.482 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.270 1.456 8.199 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.999 3.553 8.792 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.852 2.404 9.488 1.00 0.00 H new ATOM 321 N ILE A 19 2.929 2.054 0.528 1.00 0.00 N ATOM 322 CA ILE A 19 2.032 1.886 -0.627 1.00 0.00 C ATOM 323 C ILE A 19 0.755 2.537 -0.146 1.00 0.00 C ATOM 324 O ILE A 19 -0.157 1.903 0.346 1.00 0.00 O ATOM 325 CB ILE A 19 1.878 0.382 -0.887 1.00 0.00 C ATOM 326 CG1 ILE A 19 3.087 -0.416 -0.365 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.788 0.144 -2.391 1.00 0.00 C ATOM 328 CD1 ILE A 19 2.888 -1.904 -0.655 1.00 0.00 C ATOM 0 H ILE A 19 2.820 1.366 1.273 1.00 0.00 H new ATOM 0 HA ILE A 19 2.370 2.324 -1.566 1.00 0.00 H new ATOM 0 HB ILE A 19 0.979 0.049 -0.368 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.001 -0.062 -0.841 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.204 -0.257 0.707 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.678 -0.923 -2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.926 0.676 -2.793 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.696 0.509 -2.872 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.746 -2.465 -0.284 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.983 -2.254 -0.158 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.793 -2.056 -1.730 1.00 0.00 H new ATOM 340 N VAL A 20 0.766 3.839 -0.182 1.00 0.00 N ATOM 341 CA VAL A 20 -0.343 4.632 0.378 1.00 0.00 C ATOM 342 C VAL A 20 -1.332 5.061 -0.710 1.00 0.00 C ATOM 343 O VAL A 20 -1.118 4.840 -1.881 1.00 0.00 O ATOM 344 CB VAL A 20 0.413 5.810 1.046 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.316 7.108 0.239 1.00 0.00 C ATOM 346 CG2 VAL A 20 -0.139 6.041 2.447 1.00 0.00 C ATOM 0 H VAL A 20 1.520 4.393 -0.588 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.978 4.096 1.083 1.00 0.00 H new ATOM 0 HB VAL A 20 1.466 5.534 1.090 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.863 7.898 0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.746 6.954 -0.751 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.730 7.397 0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.393 6.869 2.916 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.201 6.280 2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.005 5.139 3.044 1.00 0.00 H new ATOM 356 N VAL A 21 -2.436 5.623 -0.309 1.00 0.00 N ATOM 357 CA VAL A 21 -3.485 6.017 -1.287 1.00 0.00 C ATOM 358 C VAL A 21 -3.674 7.531 -1.292 1.00 0.00 C ATOM 359 O VAL A 21 -4.147 8.108 -0.332 1.00 0.00 O ATOM 360 CB VAL A 21 -4.781 5.337 -0.799 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.561 4.817 -2.000 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.491 4.154 0.127 1.00 0.00 C ATOM 0 H VAL A 21 -2.658 5.828 0.665 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.215 5.718 -2.300 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.354 6.082 -0.247 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.477 4.336 -1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.812 5.648 -2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.953 4.094 -2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.431 3.704 0.448 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.896 3.412 -0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.939 4.502 1.000 1.00 0.00 H new ATOM 372 N THR A 22 -3.326 8.183 -2.363 1.00 0.00 N ATOM 373 CA THR A 22 -3.502 9.661 -2.414 1.00 0.00 C ATOM 374 C THR A 22 -4.075 10.085 -3.765 1.00 0.00 C ATOM 375 O THR A 22 -4.375 9.266 -4.611 1.00 0.00 O ATOM 376 CB THR A 22 -2.104 10.250 -2.214 1.00 0.00 C ATOM 377 OG1 THR A 22 -2.139 11.644 -2.484 1.00 0.00 O ATOM 378 CG2 THR A 22 -1.105 9.574 -3.152 1.00 0.00 C ATOM 0 H THR A 22 -2.929 7.761 -3.202 1.00 0.00 H new ATOM 0 HA THR A 22 -4.198 10.011 -1.651 1.00 0.00 H new ATOM 0 HB THR A 22 -1.790 10.080 -1.184 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.245 12.025 -2.355 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.115 10.003 -2.999 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.074 8.505 -2.941 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.413 9.731 -4.186 1.00 0.00 H new ATOM 543 N TYR A 32 -1.770 11.600 1.543 1.00 0.00 N ATOM 544 CA TYR A 32 -2.673 10.496 1.089 1.00 0.00 C ATOM 545 C TYR A 32 -3.886 10.380 2.009 1.00 0.00 C ATOM 546 O TYR A 32 -4.001 11.071 3.001 1.00 0.00 O ATOM 547 CB TYR A 32 -1.838 9.211 1.161 1.00 0.00 C ATOM 548 CG TYR A 32 -1.167 9.113 2.512 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.882 8.633 3.616 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.168 9.506 2.660 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.262 8.546 4.868 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.789 9.419 3.912 1.00 0.00 C ATOM 553 CZ TYR A 32 0.073 8.939 5.016 1.00 0.00 C ATOM 554 OH TYR A 32 0.686 8.853 6.250 1.00 0.00 O ATOM 0 HA TYR A 32 -3.046 10.682 0.082 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.476 8.342 0.997 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.087 9.209 0.371 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.912 8.330 3.502 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.719 9.876 1.808 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.814 8.176 5.719 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.819 9.722 4.026 1.00 0.00 H new ATOM 0 HH TYR A 32 1.612 9.164 6.178 1.00 0.00 H new ATOM 564 N ILE A 33 -4.789 9.498 1.683 1.00 0.00 N ATOM 565 CA ILE A 33 -6.001 9.311 2.526 1.00 0.00 C ATOM 566 C ILE A 33 -5.677 8.393 3.706 1.00 0.00 C ATOM 567 O ILE A 33 -5.959 8.704 4.847 1.00 0.00 O ATOM 568 CB ILE A 33 -7.016 8.652 1.593 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.369 9.620 0.461 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.281 8.299 2.373 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.262 8.895 -0.880 1.00 0.00 C ATOM 0 H ILE A 33 -4.738 8.894 0.862 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.375 10.246 2.945 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.585 7.742 1.176 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.379 10.005 0.599 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.696 10.477 0.478 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.002 7.829 1.704 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.031 7.609 3.179 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.714 9.206 2.794 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.513 9.583 -1.687 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.244 8.532 -1.017 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.953 8.052 -0.894 1.00 0.00 H new ATOM 583 N GLU A 34 -5.083 7.263 3.439 1.00 0.00 N ATOM 584 CA GLU A 34 -4.732 6.320 4.539 1.00 0.00 C ATOM 585 C GLU A 34 -3.578 5.416 4.100 1.00 0.00 C ATOM 586 O GLU A 34 -3.327 5.244 2.925 1.00 0.00 O ATOM 587 CB GLU A 34 -6.000 5.500 4.781 1.00 0.00 C ATOM 588 CG GLU A 34 -6.863 6.196 5.835 1.00 0.00 C ATOM 589 CD GLU A 34 -7.726 5.161 6.558 1.00 0.00 C ATOM 590 OE1 GLU A 34 -7.904 4.082 6.015 1.00 0.00 O ATOM 591 OE2 GLU A 34 -8.196 5.463 7.643 1.00 0.00 O ATOM 0 H GLU A 34 -4.824 6.951 2.503 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.408 6.836 5.443 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.559 5.392 3.851 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.739 4.496 5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.229 6.719 6.551 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.497 6.946 5.363 1.00 0.00 H new ATOM 598 N LYS A 35 -2.873 4.838 5.031 1.00 0.00 N ATOM 599 CA LYS A 35 -1.736 3.950 4.656 1.00 0.00 C ATOM 600 C LYS A 35 -2.201 2.492 4.577 1.00 0.00 C ATOM 601 O LYS A 35 -2.508 1.871 5.574 1.00 0.00 O ATOM 602 CB LYS A 35 -0.704 4.128 5.772 1.00 0.00 C ATOM 603 CG LYS A 35 -1.321 3.729 7.116 1.00 0.00 C ATOM 604 CD LYS A 35 -1.153 4.874 8.115 1.00 0.00 C ATOM 605 CE LYS A 35 -1.513 4.384 9.519 1.00 0.00 C ATOM 606 NZ LYS A 35 -0.700 5.225 10.440 1.00 0.00 N ATOM 0 H LYS A 35 -3.033 4.941 6.033 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.324 4.202 3.679 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.175 3.516 5.569 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.369 5.165 5.808 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.378 3.496 6.988 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.840 2.828 7.496 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.126 5.238 8.098 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.792 5.711 7.835 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.579 4.499 9.716 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.279 3.326 9.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.892 4.948 11.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.310 5.089 10.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.949 6.226 10.307 1.00 0.00 H new ATOM 620 N ILE A 36 -2.254 1.942 3.394 1.00 0.00 N ATOM 621 CA ILE A 36 -2.702 0.522 3.254 1.00 0.00 C ATOM 622 C ILE A 36 -1.511 -0.404 3.107 1.00 0.00 C ATOM 623 O ILE A 36 -1.517 -1.522 3.585 1.00 0.00 O ATOM 624 CB ILE A 36 -3.548 0.490 1.983 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.679 0.869 0.770 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.697 1.481 2.126 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.521 0.870 -0.500 1.00 0.00 C ATOM 0 H ILE A 36 -2.008 2.410 2.521 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.259 0.189 4.130 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.947 -0.513 1.832 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.237 1.854 0.923 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.855 0.162 0.668 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.306 1.464 1.222 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.311 1.205 2.983 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.296 2.484 2.275 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.896 1.139 -1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.941 -0.123 -0.659 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.329 1.594 -0.400 1.00 0.00 H new ATOM 639 N GLY A 37 -0.502 0.033 2.425 1.00 0.00 N ATOM 640 CA GLY A 37 0.665 -0.846 2.225 1.00 0.00 C ATOM 641 C GLY A 37 1.941 -0.196 2.733 1.00 0.00 C ATOM 642 O GLY A 37 2.001 0.988 2.998 1.00 0.00 O ATOM 0 H GLY A 37 -0.436 0.957 1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.504 -1.791 2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.770 -1.079 1.165 1.00 0.00 H new ATOM 646 N TYR A 38 2.975 -0.976 2.822 1.00 0.00 N ATOM 647 CA TYR A 38 4.295 -0.445 3.259 1.00 0.00 C ATOM 648 C TYR A 38 5.389 -1.099 2.412 1.00 0.00 C ATOM 649 O TYR A 38 5.369 -2.292 2.182 1.00 0.00 O ATOM 650 CB TYR A 38 4.443 -0.839 4.729 1.00 0.00 C ATOM 651 CG TYR A 38 5.802 -0.401 5.224 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.031 0.943 5.543 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.836 -1.337 5.356 1.00 0.00 C ATOM 654 CE1 TYR A 38 7.290 1.352 5.996 1.00 0.00 C ATOM 655 CE2 TYR A 38 8.097 -0.927 5.809 1.00 0.00 C ATOM 656 CZ TYR A 38 8.323 0.416 6.129 1.00 0.00 C ATOM 657 OH TYR A 38 9.565 0.820 6.576 1.00 0.00 O ATOM 0 H TYR A 38 2.964 -1.973 2.608 1.00 0.00 H new ATOM 0 HA TYR A 38 4.373 0.636 3.140 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.658 -0.373 5.324 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.331 -1.917 4.842 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.235 1.665 5.439 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.661 -2.374 5.109 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.465 2.389 6.243 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.895 -1.648 5.911 1.00 0.00 H new ATOM 0 HH TYR A 38 10.167 0.047 6.612 1.00 0.00 H new ATOM 667 N TYR A 39 6.342 -0.340 1.943 1.00 0.00 N ATOM 668 CA TYR A 39 7.420 -0.953 1.114 1.00 0.00 C ATOM 669 C TYR A 39 8.788 -0.554 1.682 1.00 0.00 C ATOM 670 O TYR A 39 9.031 0.601 1.972 1.00 0.00 O ATOM 671 CB TYR A 39 7.247 -0.385 -0.299 1.00 0.00 C ATOM 672 CG TYR A 39 8.333 -0.939 -1.198 1.00 0.00 C ATOM 673 CD1 TYR A 39 9.647 -0.470 -1.080 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.028 -1.923 -2.145 1.00 0.00 C ATOM 675 CE1 TYR A 39 10.654 -0.984 -1.905 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.037 -2.437 -2.971 1.00 0.00 C ATOM 677 CZ TYR A 39 10.349 -1.967 -2.851 1.00 0.00 C ATOM 678 OH TYR A 39 11.341 -2.474 -3.666 1.00 0.00 O ATOM 0 H TYR A 39 6.421 0.665 2.095 1.00 0.00 H new ATOM 0 HA TYR A 39 7.361 -2.041 1.110 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.265 -0.648 -0.691 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.299 0.703 -0.275 1.00 0.00 H new ATOM 0 HD1 TYR A 39 9.884 0.290 -0.351 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.015 -2.286 -2.239 1.00 0.00 H new ATOM 0 HE1 TYR A 39 11.667 -0.621 -1.811 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.801 -3.197 -3.701 1.00 0.00 H new ATOM 0 HH TYR A 39 10.959 -3.149 -4.265 1.00 0.00 H new ATOM 688 N ASP A 40 9.685 -1.487 1.840 1.00 0.00 N ATOM 689 CA ASP A 40 11.028 -1.134 2.385 1.00 0.00 C ATOM 690 C ASP A 40 12.124 -1.918 1.651 1.00 0.00 C ATOM 691 O ASP A 40 12.283 -3.100 1.873 1.00 0.00 O ATOM 692 CB ASP A 40 10.974 -1.541 3.858 1.00 0.00 C ATOM 693 CG ASP A 40 12.262 -1.099 4.557 1.00 0.00 C ATOM 694 OD1 ASP A 40 12.812 -0.086 4.158 1.00 0.00 O ATOM 695 OD2 ASP A 40 12.676 -1.782 5.479 1.00 0.00 O ATOM 0 H ASP A 40 9.549 -2.473 1.617 1.00 0.00 H new ATOM 0 HA ASP A 40 11.259 -0.076 2.260 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.110 -1.084 4.341 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.853 -2.621 3.944 1.00 0.00 H new ATOM 838 N LEU A 49 7.908 -6.644 1.751 1.00 0.00 N ATOM 839 CA LEU A 49 6.605 -5.971 1.470 1.00 0.00 C ATOM 840 C LEU A 49 5.615 -6.240 2.607 1.00 0.00 C ATOM 841 O LEU A 49 5.267 -7.370 2.887 1.00 0.00 O ATOM 842 CB LEU A 49 6.105 -6.618 0.176 1.00 0.00 C ATOM 843 CG LEU A 49 4.720 -6.071 -0.178 1.00 0.00 C ATOM 844 CD1 LEU A 49 4.495 -6.179 -1.686 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.649 -6.884 0.554 1.00 0.00 C ATOM 0 HA LEU A 49 6.709 -4.890 1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.804 -6.416 -0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.059 -7.701 0.295 1.00 0.00 H new ATOM 0 HG LEU A 49 4.657 -5.026 0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.508 -5.789 -1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.257 -5.601 -2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.559 -7.224 -1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.662 -6.495 0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.715 -7.929 0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.806 -6.807 1.630 1.00 0.00 H new ATOM 857 N LYS A 50 5.148 -5.210 3.252 1.00 0.00 N ATOM 858 CA LYS A 50 4.167 -5.402 4.357 1.00 0.00 C ATOM 859 C LYS A 50 2.891 -4.624 4.034 1.00 0.00 C ATOM 860 O LYS A 50 2.813 -3.432 4.256 1.00 0.00 O ATOM 861 CB LYS A 50 4.850 -4.831 5.601 1.00 0.00 C ATOM 862 CG LYS A 50 4.464 -5.666 6.824 1.00 0.00 C ATOM 863 CD LYS A 50 5.652 -5.744 7.785 1.00 0.00 C ATOM 864 CE LYS A 50 6.653 -6.787 7.282 1.00 0.00 C ATOM 865 NZ LYS A 50 7.115 -7.497 8.506 1.00 0.00 N ATOM 0 H LYS A 50 5.403 -4.241 3.062 1.00 0.00 H new ATOM 0 HA LYS A 50 3.888 -6.446 4.501 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.932 -4.837 5.470 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.553 -3.793 5.748 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.605 -5.220 7.326 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.167 -6.668 6.514 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.135 -4.770 7.862 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.307 -6.009 8.785 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.186 -7.476 6.579 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.486 -6.316 6.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.805 -8.229 8.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.562 -6.817 9.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.301 -7.941 8.977 1.00 0.00 H new ATOM 879 N VAL A 51 1.895 -5.277 3.492 1.00 0.00 N ATOM 880 CA VAL A 51 0.649 -4.539 3.143 1.00 0.00 C ATOM 881 C VAL A 51 -0.564 -5.102 3.879 1.00 0.00 C ATOM 882 O VAL A 51 -0.603 -6.246 4.288 1.00 0.00 O ATOM 883 CB VAL A 51 0.495 -4.711 1.606 1.00 0.00 C ATOM 884 CG1 VAL A 51 -0.964 -4.993 1.201 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.925 -3.430 0.909 1.00 0.00 C ATOM 0 H VAL A 51 1.891 -6.275 3.279 1.00 0.00 H new ATOM 0 HA VAL A 51 0.711 -3.491 3.436 1.00 0.00 H new ATOM 0 HB VAL A 51 1.116 -5.557 1.312 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.026 -5.106 0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.304 -5.910 1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.596 -4.162 1.515 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.818 -3.549 -0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.299 -2.604 1.247 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.967 -3.217 1.149 1.00 0.00 H new ATOM 895 N ASP A 52 -1.579 -4.300 3.964 1.00 0.00 N ATOM 896 CA ASP A 52 -2.848 -4.742 4.570 1.00 0.00 C ATOM 897 C ASP A 52 -3.828 -4.910 3.414 1.00 0.00 C ATOM 898 O ASP A 52 -4.772 -4.157 3.279 1.00 0.00 O ATOM 899 CB ASP A 52 -3.277 -3.603 5.500 1.00 0.00 C ATOM 900 CG ASP A 52 -4.051 -4.177 6.689 1.00 0.00 C ATOM 901 OD1 ASP A 52 -3.794 -5.315 7.045 1.00 0.00 O ATOM 902 OD2 ASP A 52 -4.886 -3.468 7.225 1.00 0.00 O ATOM 0 H ASP A 52 -1.579 -3.336 3.631 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.786 -5.674 5.131 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.401 -3.058 5.852 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.899 -2.891 4.957 1.00 0.00 H new ATOM 907 N VAL A 53 -3.555 -5.868 2.547 1.00 0.00 N ATOM 908 CA VAL A 53 -4.412 -6.104 1.330 1.00 0.00 C ATOM 909 C VAL A 53 -5.894 -5.828 1.622 1.00 0.00 C ATOM 910 O VAL A 53 -6.621 -5.398 0.752 1.00 0.00 O ATOM 911 CB VAL A 53 -4.151 -7.571 0.876 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.862 -8.486 2.071 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.360 -8.123 0.104 1.00 0.00 C ATOM 0 H VAL A 53 -2.763 -6.505 2.634 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.152 -5.415 0.526 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.276 -7.555 0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.685 -9.502 1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.979 -8.126 2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.717 -8.482 2.748 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.157 -9.149 -0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.241 -8.104 0.746 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.540 -7.508 -0.778 1.00 0.00 H new ATOM 923 N GLU A 54 -6.346 -6.033 2.827 1.00 0.00 N ATOM 924 CA GLU A 54 -7.769 -5.727 3.121 1.00 0.00 C ATOM 925 C GLU A 54 -8.012 -4.245 2.848 1.00 0.00 C ATOM 926 O GLU A 54 -8.879 -3.875 2.080 1.00 0.00 O ATOM 927 CB GLU A 54 -7.965 -6.054 4.602 1.00 0.00 C ATOM 928 CG GLU A 54 -9.193 -6.952 4.771 1.00 0.00 C ATOM 929 CD GLU A 54 -8.795 -8.410 4.537 1.00 0.00 C ATOM 930 OE1 GLU A 54 -8.489 -8.746 3.404 1.00 0.00 O ATOM 931 OE2 GLU A 54 -8.802 -9.167 5.494 1.00 0.00 O ATOM 0 H GLU A 54 -5.800 -6.394 3.609 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.465 -6.299 2.507 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.080 -6.554 4.995 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.092 -5.135 5.174 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.608 -6.833 5.772 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.971 -6.659 4.066 1.00 0.00 H new ATOM 938 N ARG A 55 -7.230 -3.395 3.449 1.00 0.00 N ATOM 939 CA ARG A 55 -7.386 -1.943 3.203 1.00 0.00 C ATOM 940 C ARG A 55 -6.798 -1.609 1.831 1.00 0.00 C ATOM 941 O ARG A 55 -7.313 -0.788 1.104 1.00 0.00 O ATOM 942 CB ARG A 55 -6.594 -1.267 4.317 1.00 0.00 C ATOM 943 CG ARG A 55 -7.558 -0.744 5.386 1.00 0.00 C ATOM 944 CD ARG A 55 -7.299 0.747 5.621 1.00 0.00 C ATOM 945 NE ARG A 55 -5.830 0.845 5.862 1.00 0.00 N ATOM 946 CZ ARG A 55 -5.320 0.610 7.049 1.00 0.00 C ATOM 947 NH1 ARG A 55 -6.081 0.258 8.055 1.00 0.00 N ATOM 948 NH2 ARG A 55 -4.031 0.713 7.225 1.00 0.00 N ATOM 0 H ARG A 55 -6.488 -3.648 4.102 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.425 -1.615 3.203 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.893 -1.974 4.760 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.004 -0.445 3.911 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.589 -0.899 5.069 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.424 -1.298 6.315 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.599 1.341 4.758 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.866 1.117 6.475 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.211 1.099 5.092 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.088 0.162 7.924 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.667 0.080 8.970 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.429 0.974 6.444 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.626 0.532 8.143 1.00 0.00 H new ATOM 962 N ALA A 56 -5.743 -2.275 1.452 1.00 0.00 N ATOM 963 CA ALA A 56 -5.163 -2.022 0.116 1.00 0.00 C ATOM 964 C ALA A 56 -6.196 -2.460 -0.929 1.00 0.00 C ATOM 965 O ALA A 56 -6.183 -2.013 -2.062 1.00 0.00 O ATOM 966 CB ALA A 56 -3.875 -2.859 0.067 1.00 0.00 C ATOM 0 H ALA A 56 -5.263 -2.980 2.012 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.925 -0.977 -0.083 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.388 -2.721 -0.898 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.202 -2.538 0.862 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.120 -3.912 0.203 1.00 0.00 H new ATOM 972 N ARG A 57 -7.119 -3.313 -0.540 1.00 0.00 N ATOM 973 CA ARG A 57 -8.167 -3.754 -1.489 1.00 0.00 C ATOM 974 C ARG A 57 -9.339 -2.764 -1.468 1.00 0.00 C ATOM 975 O ARG A 57 -10.057 -2.618 -2.434 1.00 0.00 O ATOM 976 CB ARG A 57 -8.617 -5.129 -0.993 1.00 0.00 C ATOM 977 CG ARG A 57 -9.773 -5.633 -1.860 1.00 0.00 C ATOM 978 CD ARG A 57 -10.470 -6.799 -1.156 1.00 0.00 C ATOM 979 NE ARG A 57 -11.720 -7.033 -1.937 1.00 0.00 N ATOM 980 CZ ARG A 57 -12.758 -6.240 -1.800 1.00 0.00 C ATOM 981 NH1 ARG A 57 -12.726 -5.223 -0.976 1.00 0.00 N ATOM 982 NH2 ARG A 57 -13.840 -6.471 -2.494 1.00 0.00 N ATOM 0 H ARG A 57 -7.182 -3.716 0.395 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.800 -3.800 -2.514 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.785 -5.832 -1.034 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.931 -5.066 0.049 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.484 -4.827 -2.041 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.399 -5.953 -2.833 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.839 -7.688 -1.146 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.694 -6.556 -0.117 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.769 -7.819 -2.585 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.886 -5.037 -0.428 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.541 -4.617 -0.882 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.875 -7.262 -3.136 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.651 -5.860 -2.393 1.00 0.00 H new ATOM 996 N TYR A 58 -9.515 -2.063 -0.375 1.00 0.00 N ATOM 997 CA TYR A 58 -10.613 -1.058 -0.278 1.00 0.00 C ATOM 998 C TYR A 58 -10.414 -0.057 -1.392 1.00 0.00 C ATOM 999 O TYR A 58 -11.318 0.330 -2.109 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.380 -0.393 1.086 1.00 0.00 C ATOM 1001 CG TYR A 58 -11.014 0.986 1.169 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.210 1.254 0.496 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.396 1.993 1.925 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.792 2.525 0.578 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.979 3.264 2.007 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.176 3.528 1.334 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.750 4.780 1.415 1.00 0.00 O ATOM 0 H TYR A 58 -8.937 -2.147 0.462 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.617 -1.474 -0.363 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.790 -1.027 1.872 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.309 -0.310 1.269 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.686 0.480 -0.088 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.471 1.788 2.444 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.716 2.731 0.058 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.504 4.040 2.590 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.196 5.358 1.980 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.206 0.357 -1.504 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.834 1.348 -2.527 1.00 0.00 C ATOM 1019 C TRP A 59 -9.000 0.744 -3.903 1.00 0.00 C ATOM 1020 O TRP A 59 -9.693 1.272 -4.748 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.394 1.679 -2.181 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.462 2.351 -0.860 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.946 1.903 0.302 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.177 3.561 -0.557 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.274 2.804 1.305 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -8.037 3.848 0.816 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.912 4.433 -1.357 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.623 4.981 1.380 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.506 5.572 -0.801 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.361 5.848 0.567 1.00 0.00 C ATOM 0 H TRP A 59 -8.435 0.044 -0.914 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.451 2.247 -2.540 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.782 0.778 -2.135 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.947 2.330 -2.932 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.374 0.996 0.431 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.988 2.708 2.279 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -9.024 4.229 -2.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.508 5.187 2.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.078 6.241 -1.427 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.819 6.729 0.992 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.420 -0.390 -4.121 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.603 -1.060 -5.434 1.00 0.00 C ATOM 1043 C LEU A 60 -10.108 -1.222 -5.691 1.00 0.00 C ATOM 1044 O LEU A 60 -10.549 -1.355 -6.815 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.929 -2.425 -5.291 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.455 -2.315 -5.683 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.663 -3.429 -4.999 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.319 -2.455 -7.200 1.00 0.00 C ATOM 0 H LEU A 60 -7.828 -0.885 -3.454 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.176 -0.499 -6.265 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.017 -2.779 -4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.430 -3.157 -5.924 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.067 -1.346 -5.370 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.612 -3.352 -5.277 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.760 -3.333 -3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.052 -4.398 -5.314 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.268 -2.377 -7.480 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.706 -3.425 -7.512 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.885 -1.663 -7.691 1.00 0.00 H new ATOM 1060 N SER A 61 -10.899 -1.202 -4.641 1.00 0.00 N ATOM 1061 CA SER A 61 -12.370 -1.344 -4.809 1.00 0.00 C ATOM 1062 C SER A 61 -12.999 -0.005 -5.212 1.00 0.00 C ATOM 1063 O SER A 61 -14.063 0.033 -5.797 1.00 0.00 O ATOM 1064 CB SER A 61 -12.894 -1.784 -3.442 1.00 0.00 C ATOM 1065 OG SER A 61 -14.040 -2.606 -3.623 1.00 0.00 O ATOM 0 H SER A 61 -10.582 -1.093 -3.678 1.00 0.00 H new ATOM 0 HA SER A 61 -12.618 -2.060 -5.592 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.121 -2.331 -2.902 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.148 -0.912 -2.839 1.00 0.00 H new ATOM 0 HG SER A 61 -14.379 -2.892 -2.749 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.359 1.096 -4.907 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.942 2.409 -5.281 1.00 0.00 C ATOM 1073 C VAL A 62 -12.285 2.913 -6.565 1.00 0.00 C ATOM 1074 O VAL A 62 -12.113 4.097 -6.774 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.659 3.357 -4.100 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -13.070 2.697 -2.779 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.169 3.717 -4.038 1.00 0.00 C ATOM 0 H VAL A 62 -11.465 1.137 -4.419 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.013 2.344 -5.471 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.241 4.266 -4.252 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.865 3.378 -1.953 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.135 2.467 -2.803 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.503 1.777 -2.640 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.991 4.387 -3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.580 2.809 -3.909 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.875 4.211 -4.964 1.00 0.00 H new ATOM 1087 N GLY A 63 -11.925 2.005 -7.420 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.280 2.393 -8.705 1.00 0.00 C ATOM 1089 C GLY A 63 -9.889 2.970 -8.436 1.00 0.00 C ATOM 1090 O GLY A 63 -9.402 3.799 -9.178 1.00 0.00 O ATOM 0 H GLY A 63 -12.049 1.002 -7.286 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.203 1.525 -9.360 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.895 3.129 -9.223 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.240 2.541 -7.387 1.00 0.00 N ATOM 1095 CA ALA A 64 -7.884 3.073 -7.092 1.00 0.00 C ATOM 1096 C ALA A 64 -6.881 2.550 -8.124 1.00 0.00 C ATOM 1097 O ALA A 64 -6.768 1.361 -8.341 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.541 2.550 -5.698 1.00 0.00 C ATOM 0 H ALA A 64 -9.591 1.848 -6.726 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.850 4.162 -7.134 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.551 2.903 -5.411 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.278 2.914 -4.982 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.550 1.460 -5.706 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.157 3.426 -8.765 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.168 2.970 -9.783 1.00 0.00 C ATOM 1106 C GLN A 65 -3.780 2.806 -9.146 1.00 0.00 C ATOM 1107 O GLN A 65 -3.158 3.781 -8.769 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.146 4.079 -10.835 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.522 3.496 -12.200 1.00 0.00 C ATOM 1110 CD GLN A 65 -4.312 2.781 -12.801 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -3.413 2.379 -12.089 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -4.247 2.605 -14.093 1.00 0.00 N ATOM 0 H GLN A 65 -6.207 4.436 -8.629 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.434 2.004 -10.211 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.845 4.869 -10.560 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.155 4.531 -10.881 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.353 2.799 -12.093 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.856 4.291 -12.867 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.001 2.942 -14.692 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.443 2.131 -14.503 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.333 1.577 -9.041 1.00 0.00 N ATOM 1122 CA PRO A 66 -2.006 1.305 -8.444 1.00 0.00 C ATOM 1123 C PRO A 66 -0.901 1.504 -9.485 1.00 0.00 C ATOM 1124 O PRO A 66 -0.971 0.987 -10.582 1.00 0.00 O ATOM 1125 CB PRO A 66 -2.098 -0.157 -8.031 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.126 -0.769 -8.933 1.00 0.00 C ATOM 1127 CD PRO A 66 -4.009 0.340 -9.453 1.00 0.00 C ATOM 0 HA PRO A 66 -1.765 1.967 -7.613 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.135 -0.656 -8.140 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.389 -0.251 -6.985 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.645 -1.292 -9.759 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.719 -1.506 -8.391 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.114 0.288 -10.537 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.013 0.278 -9.032 1.00 0.00 H new ATOM 1135 N THR A 67 0.123 2.241 -9.148 1.00 0.00 N ATOM 1136 CA THR A 67 1.231 2.460 -10.122 1.00 0.00 C ATOM 1137 C THR A 67 1.830 1.115 -10.539 1.00 0.00 C ATOM 1138 O THR A 67 1.551 0.092 -9.948 1.00 0.00 O ATOM 1139 CB THR A 67 2.268 3.303 -9.373 1.00 0.00 C ATOM 1140 OG1 THR A 67 2.201 3.018 -7.981 1.00 0.00 O ATOM 1141 CG2 THR A 67 1.983 4.786 -9.606 1.00 0.00 C ATOM 0 H THR A 67 0.240 2.699 -8.244 1.00 0.00 H new ATOM 0 HA THR A 67 0.891 2.957 -11.031 1.00 0.00 H new ATOM 0 HB THR A 67 3.265 3.062 -9.742 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.964 3.431 -7.525 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.721 5.386 -9.073 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.039 5.004 -10.672 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.985 5.027 -9.239 1.00 0.00 H new ATOM 1149 N ASP A 68 2.648 1.105 -11.555 1.00 0.00 N ATOM 1150 CA ASP A 68 3.259 -0.179 -12.005 1.00 0.00 C ATOM 1151 C ASP A 68 3.955 -0.875 -10.831 1.00 0.00 C ATOM 1152 O ASP A 68 4.040 -2.085 -10.775 1.00 0.00 O ATOM 1153 CB ASP A 68 4.279 0.222 -13.071 1.00 0.00 C ATOM 1154 CG ASP A 68 3.580 0.340 -14.426 1.00 0.00 C ATOM 1155 OD1 ASP A 68 3.102 -0.671 -14.914 1.00 0.00 O ATOM 1156 OD2 ASP A 68 3.534 1.440 -14.952 1.00 0.00 O ATOM 0 H ASP A 68 2.920 1.928 -12.093 1.00 0.00 H new ATOM 0 HA ASP A 68 2.516 -0.877 -12.392 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.744 1.171 -12.806 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.076 -0.520 -13.124 1.00 0.00 H new ATOM 1161 N THR A 69 4.454 -0.115 -9.898 1.00 0.00 N ATOM 1162 CA THR A 69 5.148 -0.723 -8.723 1.00 0.00 C ATOM 1163 C THR A 69 4.133 -1.116 -7.650 1.00 0.00 C ATOM 1164 O THR A 69 4.131 -2.226 -7.160 1.00 0.00 O ATOM 1165 CB THR A 69 6.055 0.374 -8.186 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.441 1.247 -9.240 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.301 -0.244 -7.545 1.00 0.00 C ATOM 0 H THR A 69 4.413 0.904 -9.896 1.00 0.00 H new ATOM 0 HA THR A 69 5.698 -1.622 -9.000 1.00 0.00 H new ATOM 0 HB THR A 69 5.510 0.943 -7.433 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.023 1.951 -8.885 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.945 0.548 -7.163 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.002 -0.896 -6.724 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.844 -0.825 -8.291 1.00 0.00 H new ATOM 1175 N ALA A 70 3.264 -0.212 -7.283 1.00 0.00 N ATOM 1176 CA ALA A 70 2.254 -0.536 -6.246 1.00 0.00 C ATOM 1177 C ALA A 70 1.326 -1.611 -6.786 1.00 0.00 C ATOM 1178 O ALA A 70 0.714 -2.351 -6.042 1.00 0.00 O ATOM 1179 CB ALA A 70 1.493 0.766 -5.996 1.00 0.00 C ATOM 0 H ALA A 70 3.214 0.735 -7.659 1.00 0.00 H new ATOM 0 HA ALA A 70 2.697 -0.911 -5.324 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.728 0.600 -5.238 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.187 1.532 -5.650 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.021 1.095 -6.922 1.00 0.00 H new ATOM 1185 N ARG A 71 1.239 -1.721 -8.082 1.00 0.00 N ATOM 1186 CA ARG A 71 0.383 -2.764 -8.661 1.00 0.00 C ATOM 1187 C ARG A 71 1.075 -4.097 -8.433 1.00 0.00 C ATOM 1188 O ARG A 71 0.459 -5.086 -8.084 1.00 0.00 O ATOM 1189 CB ARG A 71 0.285 -2.442 -10.153 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.707 -3.399 -10.818 1.00 0.00 C ATOM 1191 CD ARG A 71 -0.014 -4.139 -11.965 1.00 0.00 C ATOM 1192 NE ARG A 71 -0.589 -5.516 -11.937 1.00 0.00 N ATOM 1193 CZ ARG A 71 -0.099 -6.465 -12.700 1.00 0.00 C ATOM 1194 NH1 ARG A 71 0.909 -6.231 -13.504 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -0.621 -7.660 -12.655 1.00 0.00 N ATOM 0 H ARG A 71 1.727 -1.130 -8.755 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.613 -2.808 -8.220 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.039 -1.411 -10.293 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.265 -2.534 -10.621 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.085 -4.113 -10.087 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.566 -2.844 -11.196 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.203 -3.651 -12.921 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.067 -4.159 -11.826 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.372 -5.722 -11.317 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.325 -5.300 -13.543 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.278 -6.980 -14.090 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.404 -7.851 -12.030 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.246 -8.403 -13.245 1.00 0.00 H new ATOM 1209 N ARG A 72 2.371 -4.117 -8.596 1.00 0.00 N ATOM 1210 CA ARG A 72 3.119 -5.372 -8.366 1.00 0.00 C ATOM 1211 C ARG A 72 3.071 -5.711 -6.880 1.00 0.00 C ATOM 1212 O ARG A 72 2.937 -6.854 -6.490 1.00 0.00 O ATOM 1213 CB ARG A 72 4.549 -5.082 -8.818 1.00 0.00 C ATOM 1214 CG ARG A 72 4.797 -5.756 -10.167 1.00 0.00 C ATOM 1215 CD ARG A 72 5.470 -4.764 -11.120 1.00 0.00 C ATOM 1216 NE ARG A 72 6.717 -5.448 -11.574 1.00 0.00 N ATOM 1217 CZ ARG A 72 7.520 -4.877 -12.442 1.00 0.00 C ATOM 1218 NH1 ARG A 72 7.252 -3.691 -12.928 1.00 0.00 N ATOM 1219 NH2 ARG A 72 8.601 -5.501 -12.824 1.00 0.00 N ATOM 0 H ARG A 72 2.937 -3.317 -8.878 1.00 0.00 H new ATOM 0 HA ARG A 72 2.704 -6.221 -8.910 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.706 -4.007 -8.901 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.259 -5.451 -8.078 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.428 -6.635 -10.035 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.854 -6.101 -10.591 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.822 -4.525 -11.963 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.697 -3.824 -10.616 1.00 0.00 H new ATOM 0 HE ARG A 72 6.948 -6.371 -11.205 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.410 -3.197 -12.633 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.886 -3.261 -13.602 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.816 -6.425 -12.449 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.230 -5.065 -13.498 1.00 0.00 H new ATOM 1233 N LEU A 73 3.170 -4.712 -6.049 1.00 0.00 N ATOM 1234 CA LEU A 73 3.120 -4.946 -4.590 1.00 0.00 C ATOM 1235 C LEU A 73 1.717 -5.379 -4.197 1.00 0.00 C ATOM 1236 O LEU A 73 1.531 -6.119 -3.256 1.00 0.00 O ATOM 1237 CB LEU A 73 3.484 -3.605 -3.955 1.00 0.00 C ATOM 1238 CG LEU A 73 4.859 -3.166 -4.458 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.028 -1.661 -4.245 1.00 0.00 C ATOM 1240 CD2 LEU A 73 5.941 -3.914 -3.684 1.00 0.00 C ATOM 0 H LEU A 73 3.284 -3.737 -6.326 1.00 0.00 H new ATOM 0 HA LEU A 73 3.801 -5.732 -4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.735 -2.855 -4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.493 -3.694 -2.869 1.00 0.00 H new ATOM 0 HG LEU A 73 4.946 -3.391 -5.521 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.009 -1.351 -4.604 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.254 -1.126 -4.796 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.942 -1.432 -3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.923 -3.604 -4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.851 -3.687 -2.622 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.822 -4.987 -3.837 1.00 0.00 H new ATOM 1252 N LEU A 74 0.728 -4.960 -4.936 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.645 -5.406 -4.619 1.00 0.00 C ATOM 1254 C LEU A 74 -0.754 -6.868 -5.037 1.00 0.00 C ATOM 1255 O LEU A 74 -1.516 -7.637 -4.488 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.566 -4.518 -5.451 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.860 -3.235 -4.676 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -2.412 -2.182 -5.631 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -2.894 -3.522 -3.585 1.00 0.00 C ATOM 0 H LEU A 74 0.815 -4.334 -5.737 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.904 -5.329 -3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.097 -4.281 -6.406 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.495 -5.044 -5.673 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.941 -2.869 -4.219 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.623 -1.266 -5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.678 -1.976 -6.410 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.331 -2.550 -6.087 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.103 -2.606 -3.032 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.813 -3.888 -4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.503 -4.276 -2.902 1.00 0.00 H new ATOM 1271 N ARG A 75 0.048 -7.260 -5.993 1.00 0.00 N ATOM 1272 CA ARG A 75 0.047 -8.666 -6.444 1.00 0.00 C ATOM 1273 C ARG A 75 0.924 -9.475 -5.497 1.00 0.00 C ATOM 1274 O ARG A 75 0.722 -10.655 -5.292 1.00 0.00 O ATOM 1275 CB ARG A 75 0.661 -8.630 -7.844 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.175 -9.486 -8.791 1.00 0.00 C ATOM 1277 CD ARG A 75 0.693 -10.604 -9.373 1.00 0.00 C ATOM 1278 NE ARG A 75 0.549 -11.739 -8.416 1.00 0.00 N ATOM 1279 CZ ARG A 75 0.844 -12.965 -8.778 1.00 0.00 C ATOM 1280 NH1 ARG A 75 1.275 -13.227 -9.988 1.00 0.00 N ATOM 1281 NH2 ARG A 75 0.709 -13.938 -7.919 1.00 0.00 N ATOM 0 H ARG A 75 0.707 -6.653 -6.480 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.945 -9.117 -6.456 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.703 -7.603 -8.207 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.686 -9.000 -7.812 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.025 -9.912 -8.258 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.579 -8.870 -9.594 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.359 -10.885 -10.372 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.733 -10.291 -9.461 1.00 0.00 H new ATOM 0 HE ARG A 75 0.217 -11.560 -7.468 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.386 -12.472 -10.665 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.500 -14.186 -10.253 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.376 -13.742 -6.975 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.936 -14.894 -8.192 1.00 0.00 H new ATOM 1295 N GLN A 76 1.905 -8.836 -4.914 1.00 0.00 N ATOM 1296 CA GLN A 76 2.802 -9.541 -3.982 1.00 0.00 C ATOM 1297 C GLN A 76 2.176 -9.605 -2.602 1.00 0.00 C ATOM 1298 O GLN A 76 2.237 -10.607 -1.918 1.00 0.00 O ATOM 1299 CB GLN A 76 4.069 -8.701 -3.991 1.00 0.00 C ATOM 1300 CG GLN A 76 5.257 -9.555 -3.559 1.00 0.00 C ATOM 1301 CD GLN A 76 5.724 -10.399 -4.744 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.917 -11.592 -4.617 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.917 -9.826 -5.900 1.00 0.00 N ATOM 0 H GLN A 76 2.116 -7.848 -5.052 1.00 0.00 H new ATOM 0 HA GLN A 76 2.999 -10.575 -4.266 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.242 -8.298 -4.989 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.957 -7.850 -3.319 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.069 -8.919 -3.207 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.974 -10.200 -2.727 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.755 -8.825 -6.006 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.230 -10.379 -6.698 1.00 0.00 H new ATOM 1312 N ALA A 77 1.551 -8.549 -2.205 1.00 0.00 N ATOM 1313 CA ALA A 77 0.880 -8.537 -0.884 1.00 0.00 C ATOM 1314 C ALA A 77 -0.275 -9.549 -0.876 1.00 0.00 C ATOM 1315 O ALA A 77 -0.836 -9.855 0.157 1.00 0.00 O ATOM 1316 CB ALA A 77 0.343 -7.115 -0.721 1.00 0.00 C ATOM 0 H ALA A 77 1.473 -7.684 -2.740 1.00 0.00 H new ATOM 0 HA ALA A 77 1.556 -8.810 -0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.169 -7.027 0.237 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.171 -6.407 -0.756 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.356 -6.896 -1.528 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.636 -10.070 -2.025 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.753 -11.056 -2.083 1.00 0.00 C ATOM 1324 C GLY A 78 -3.091 -10.315 -2.140 1.00 0.00 C ATOM 1325 O GLY A 78 -3.987 -10.578 -1.364 1.00 0.00 O ATOM 0 H GLY A 78 -0.203 -9.853 -2.923 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.642 -11.695 -2.959 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.723 -11.706 -1.209 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.236 -9.385 -3.049 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.515 -8.631 -3.141 1.00 0.00 C ATOM 1331 C VAL A 79 -5.375 -9.137 -4.305 1.00 0.00 C ATOM 1332 O VAL A 79 -6.517 -9.509 -4.125 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.116 -7.180 -3.371 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.369 -6.306 -3.427 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.214 -6.708 -2.229 1.00 0.00 C ATOM 0 H VAL A 79 -2.524 -9.118 -3.729 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.112 -8.755 -2.238 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.577 -7.100 -4.315 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.081 -5.268 -3.592 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.009 -6.639 -4.244 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.912 -6.387 -2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.930 -5.669 -2.396 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.751 -6.790 -1.284 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.318 -7.328 -2.193 1.00 0.00 H new