USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 743 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 26 SER OG : rot -160:sc= -0.975 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.584 K(o=-0.58,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= -1.39 USER MOD Single : A 37 GLN : amide:sc= -0.151 K(o=-0.15,f=-1.6!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 33:sc= 0.563 USER MOD Single : A 51 SER OG : rot 85:sc= -0.0587 USER MOD Single : A 52 SER OG : rot 180:sc= -0.731 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0407 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.795 K(o=-0.79,f=-1.5!) USER MOD Single : A 91 TYR OH : rot 82:sc= 1.87! USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.0602 USER MOD Single : A 94 HIS : no HD1:sc= -0.272 X(o=-0.27,f=-0.28) USER MOD Single : A 98 LYS NZ :NH3+ 177:sc= -3.75 (180deg=-3.79) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 22 -5.107 12.896 -7.063 1.00 0.00 N ATOM 2 CA ARG A 22 -6.500 12.707 -6.582 1.00 0.00 C ATOM 3 C ARG A 22 -6.717 11.291 -6.070 1.00 0.00 C ATOM 4 O ARG A 22 -7.392 11.081 -5.061 1.00 0.00 O ATOM 5 CB ARG A 22 -7.463 12.996 -7.740 1.00 0.00 C ATOM 6 CG ARG A 22 -8.883 12.494 -7.504 1.00 0.00 C ATOM 7 CD ARG A 22 -9.665 13.443 -6.610 1.00 0.00 C ATOM 8 NE ARG A 22 -10.314 14.505 -7.375 1.00 0.00 N ATOM 9 CZ ARG A 22 -11.325 15.239 -6.917 1.00 0.00 C ATOM 10 NH1 ARG A 22 -11.807 15.030 -5.698 1.00 0.00 N ATOM 11 NH2 ARG A 22 -11.856 16.186 -7.679 1.00 0.00 N ATOM 0 HA ARG A 22 -6.686 13.392 -5.755 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.493 14.072 -7.915 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.072 12.536 -8.648 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.396 12.386 -8.460 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.850 11.505 -7.047 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -10.418 12.882 -6.057 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.993 13.885 -5.874 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.972 14.695 -8.317 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.402 14.304 -5.107 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.582 15.596 -5.352 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.489 16.352 -8.616 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.631 16.748 -7.328 1.00 0.00 H new ATOM 27 N LEU A 23 -6.156 10.322 -6.784 1.00 0.00 N ATOM 28 CA LEU A 23 -6.298 8.918 -6.418 1.00 0.00 C ATOM 29 C LEU A 23 -6.122 8.718 -4.921 1.00 0.00 C ATOM 30 O LEU A 23 -5.157 9.189 -4.331 1.00 0.00 O ATOM 31 CB LEU A 23 -5.311 8.061 -7.211 1.00 0.00 C ATOM 32 CG LEU A 23 -5.547 8.073 -8.724 1.00 0.00 C ATOM 33 CD1 LEU A 23 -4.513 8.943 -9.423 1.00 0.00 C ATOM 34 CD2 LEU A 23 -5.532 6.658 -9.287 1.00 0.00 C ATOM 0 H LEU A 23 -5.597 10.484 -7.622 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.309 8.599 -6.671 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.299 8.411 -7.009 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.370 7.033 -6.853 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.533 8.500 -8.910 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.699 8.937 -10.497 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.583 9.964 -9.048 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.515 8.552 -9.226 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.702 6.693 -10.363 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.565 6.197 -9.087 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.319 6.070 -8.814 1.00 0.00 H new ATOM 46 N ARG A 24 -7.088 8.042 -4.312 1.00 0.00 N ATOM 47 CA ARG A 24 -7.064 7.793 -2.876 1.00 0.00 C ATOM 48 C ARG A 24 -6.449 6.431 -2.557 1.00 0.00 C ATOM 49 O ARG A 24 -6.885 5.403 -3.075 1.00 0.00 O ATOM 50 CB ARG A 24 -8.484 7.880 -2.306 1.00 0.00 C ATOM 51 CG ARG A 24 -8.611 7.379 -0.873 1.00 0.00 C ATOM 52 CD ARG A 24 -9.304 8.396 0.023 1.00 0.00 C ATOM 53 NE ARG A 24 -10.573 7.891 0.542 1.00 0.00 N ATOM 54 CZ ARG A 24 -11.699 7.847 -0.166 1.00 0.00 C ATOM 55 NH1 ARG A 24 -11.719 8.276 -1.422 1.00 0.00 N ATOM 56 NH2 ARG A 24 -12.808 7.371 0.383 1.00 0.00 N ATOM 0 H ARG A 24 -7.901 7.655 -4.792 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.442 8.557 -2.410 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.818 8.917 -2.348 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.155 7.303 -2.942 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.172 6.444 -0.863 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.620 7.160 -0.475 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.648 8.653 0.855 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.481 9.313 -0.539 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.597 7.552 1.504 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.868 8.642 -1.850 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.585 8.240 -1.960 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.798 7.039 1.347 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.671 7.337 -0.159 1.00 0.00 H new ATOM 70 N LEU A 25 -5.441 6.435 -1.687 1.00 0.00 N ATOM 71 CA LEU A 25 -4.770 5.212 -1.280 1.00 0.00 C ATOM 72 C LEU A 25 -5.475 4.619 -0.067 1.00 0.00 C ATOM 73 O LEU A 25 -5.944 5.352 0.804 1.00 0.00 O ATOM 74 CB LEU A 25 -3.311 5.502 -0.939 1.00 0.00 C ATOM 75 CG LEU A 25 -2.376 4.305 -1.043 1.00 0.00 C ATOM 76 CD1 LEU A 25 -0.923 4.735 -0.918 1.00 0.00 C ATOM 77 CD2 LEU A 25 -2.714 3.275 0.016 1.00 0.00 C ATOM 0 H LEU A 25 -5.072 7.280 -1.250 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.805 4.498 -2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.947 6.287 -1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.262 5.895 0.076 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.513 3.854 -2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.277 3.861 -0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.681 5.437 -1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.768 5.216 0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.036 2.426 -0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.609 3.722 1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.741 2.935 -0.121 1.00 0.00 H new ATOM 89 N SER A 26 -5.557 3.297 -0.010 1.00 0.00 N ATOM 90 CA SER A 26 -6.221 2.635 1.111 1.00 0.00 C ATOM 91 C SER A 26 -5.536 1.323 1.463 1.00 0.00 C ATOM 92 O SER A 26 -5.629 0.347 0.726 1.00 0.00 O ATOM 93 CB SER A 26 -7.692 2.382 0.779 1.00 0.00 C ATOM 94 OG SER A 26 -8.196 3.374 -0.099 1.00 0.00 O ATOM 0 H SER A 26 -5.178 2.666 -0.716 1.00 0.00 H new ATOM 0 HA SER A 26 -6.155 3.295 1.976 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.801 1.398 0.322 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.279 2.373 1.698 1.00 0.00 H new ATOM 0 HG SER A 26 -9.175 3.389 -0.049 1.00 0.00 H new ATOM 100 N VAL A 27 -4.853 1.304 2.601 1.00 0.00 N ATOM 101 CA VAL A 27 -4.155 0.106 3.044 1.00 0.00 C ATOM 102 C VAL A 27 -4.988 -0.688 4.041 1.00 0.00 C ATOM 103 O VAL A 27 -5.457 -0.156 5.047 1.00 0.00 O ATOM 104 CB VAL A 27 -2.779 0.444 3.661 1.00 0.00 C ATOM 105 CG1 VAL A 27 -2.884 0.748 5.148 1.00 0.00 C ATOM 106 CG2 VAL A 27 -1.799 -0.684 3.423 1.00 0.00 C ATOM 0 H VAL A 27 -4.768 2.102 3.231 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.994 -0.509 2.158 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.412 1.343 3.166 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.895 0.980 5.543 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.545 1.602 5.299 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.288 -0.120 5.669 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.836 -0.428 3.864 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.177 -1.598 3.882 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.677 -0.840 2.351 1.00 0.00 H new ATOM 116 N PHE A 28 -5.167 -1.966 3.749 1.00 0.00 N ATOM 117 CA PHE A 28 -5.935 -2.841 4.606 1.00 0.00 C ATOM 118 C PHE A 28 -5.048 -3.865 5.301 1.00 0.00 C ATOM 119 O PHE A 28 -4.059 -4.338 4.742 1.00 0.00 O ATOM 120 CB PHE A 28 -7.020 -3.552 3.807 1.00 0.00 C ATOM 121 CG PHE A 28 -8.300 -3.634 4.566 1.00 0.00 C ATOM 122 CD1 PHE A 28 -8.869 -2.485 5.079 1.00 0.00 C ATOM 123 CD2 PHE A 28 -8.917 -4.849 4.794 1.00 0.00 C ATOM 124 CE1 PHE A 28 -10.033 -2.541 5.807 1.00 0.00 C ATOM 125 CE2 PHE A 28 -10.088 -4.916 5.519 1.00 0.00 C ATOM 126 CZ PHE A 28 -10.648 -3.760 6.029 1.00 0.00 C ATOM 0 H PHE A 28 -4.786 -2.419 2.918 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.401 -2.222 5.372 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.187 -3.023 2.869 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.684 -4.557 3.551 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.393 -1.531 4.906 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -8.478 -5.754 4.401 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.467 -1.635 6.205 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.566 -5.869 5.688 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.564 -3.808 6.600 1.00 0.00 H new ATOM 136 N ARG A 29 -5.424 -4.200 6.528 1.00 0.00 N ATOM 137 CA ARG A 29 -4.691 -5.167 7.330 1.00 0.00 C ATOM 138 C ARG A 29 -5.647 -5.883 8.273 1.00 0.00 C ATOM 139 O ARG A 29 -6.312 -5.250 9.093 1.00 0.00 O ATOM 140 CB ARG A 29 -3.584 -4.474 8.129 1.00 0.00 C ATOM 141 CG ARG A 29 -2.832 -3.415 7.339 1.00 0.00 C ATOM 142 CD ARG A 29 -1.924 -2.589 8.234 1.00 0.00 C ATOM 143 NE ARG A 29 -2.682 -1.708 9.121 1.00 0.00 N ATOM 144 CZ ARG A 29 -3.074 -2.044 10.349 1.00 0.00 C ATOM 145 NH1 ARG A 29 -2.791 -3.244 10.843 1.00 0.00 N ATOM 146 NH2 ARG A 29 -3.755 -1.177 11.086 1.00 0.00 N ATOM 0 H ARG A 29 -6.244 -3.810 6.993 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.230 -5.897 6.664 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.022 -4.012 9.014 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.876 -5.225 8.479 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.238 -3.894 6.561 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.545 -2.759 6.838 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.300 -3.255 8.831 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.253 -1.992 7.617 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.926 -0.779 8.778 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.270 -3.917 10.281 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.095 -3.493 11.784 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.978 -0.254 10.712 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.056 -1.433 12.026 1.00 0.00 H new ATOM 160 N SER A 30 -5.723 -7.201 8.149 1.00 0.00 N ATOM 161 CA SER A 30 -6.616 -7.988 8.995 1.00 0.00 C ATOM 162 C SER A 30 -5.904 -8.421 10.275 1.00 0.00 C ATOM 163 O SER A 30 -6.058 -7.796 11.324 1.00 0.00 O ATOM 164 CB SER A 30 -7.127 -9.214 8.233 1.00 0.00 C ATOM 165 OG SER A 30 -8.083 -8.845 7.254 1.00 0.00 O ATOM 0 H SER A 30 -5.183 -7.746 7.477 1.00 0.00 H new ATOM 0 HA SER A 30 -7.467 -7.364 9.268 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.290 -9.723 7.755 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.573 -9.921 8.933 1.00 0.00 H new ATOM 0 HG SER A 30 -8.392 -9.645 6.781 1.00 0.00 H new ATOM 171 N LEU A 31 -5.116 -9.484 10.175 1.00 0.00 N ATOM 172 CA LEU A 31 -4.365 -9.998 11.315 1.00 0.00 C ATOM 173 C LEU A 31 -2.975 -10.425 10.864 1.00 0.00 C ATOM 174 O LEU A 31 -1.965 -9.945 11.378 1.00 0.00 O ATOM 175 CB LEU A 31 -5.098 -11.179 11.954 1.00 0.00 C ATOM 176 CG LEU A 31 -4.507 -11.667 13.278 1.00 0.00 C ATOM 177 CD1 LEU A 31 -4.684 -10.615 14.362 1.00 0.00 C ATOM 178 CD2 LEU A 31 -5.153 -12.979 13.696 1.00 0.00 C ATOM 0 H LEU A 31 -4.980 -10.010 9.312 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.274 -9.208 12.060 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.137 -10.895 12.120 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.103 -12.009 11.248 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.440 -11.837 13.137 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.258 -10.980 15.296 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.176 -9.698 14.065 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.746 -10.412 14.502 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.721 -13.313 14.640 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.226 -12.833 13.819 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.975 -13.733 12.929 1.00 0.00 H new ATOM 190 N LYS A 32 -2.940 -11.317 9.882 1.00 0.00 N ATOM 191 CA LYS A 32 -1.686 -11.804 9.327 1.00 0.00 C ATOM 192 C LYS A 32 -1.598 -11.461 7.841 1.00 0.00 C ATOM 193 O LYS A 32 -0.818 -12.058 7.100 1.00 0.00 O ATOM 194 CB LYS A 32 -1.567 -13.317 9.524 1.00 0.00 C ATOM 195 CG LYS A 32 -0.704 -13.710 10.712 1.00 0.00 C ATOM 196 CD LYS A 32 0.024 -15.023 10.464 1.00 0.00 C ATOM 197 CE LYS A 32 -0.280 -16.046 11.547 1.00 0.00 C ATOM 198 NZ LYS A 32 -0.529 -17.399 10.978 1.00 0.00 N ATOM 0 H LYS A 32 -3.773 -11.720 9.452 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.863 -11.318 9.851 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.564 -13.737 9.655 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.150 -13.761 8.620 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.023 -12.922 10.911 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.328 -13.801 11.601 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.267 -15.423 9.493 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.098 -14.842 10.425 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.555 -16.094 12.246 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.153 -15.725 12.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.732 -18.067 11.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.342 -17.359 10.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.313 -17.717 10.457 1.00 0.00 H new ATOM 212 N HIS A 33 -2.413 -10.497 7.413 1.00 0.00 N ATOM 213 CA HIS A 33 -2.439 -10.076 6.018 1.00 0.00 C ATOM 214 C HIS A 33 -2.025 -8.615 5.876 1.00 0.00 C ATOM 215 O HIS A 33 -1.941 -7.880 6.860 1.00 0.00 O ATOM 216 CB HIS A 33 -3.839 -10.274 5.434 1.00 0.00 C ATOM 217 CG HIS A 33 -4.198 -11.709 5.205 1.00 0.00 C ATOM 218 ND1 HIS A 33 -5.335 -12.102 4.531 1.00 0.00 N ATOM 219 CD2 HIS A 33 -3.563 -12.850 5.563 1.00 0.00 C ATOM 220 CE1 HIS A 33 -5.385 -13.421 4.486 1.00 0.00 C ATOM 221 NE2 HIS A 33 -4.321 -13.899 5.104 1.00 0.00 N ATOM 0 H HIS A 33 -3.064 -9.994 8.016 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.726 -10.691 5.469 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.571 -9.829 6.108 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -3.908 -9.736 4.489 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.633 -12.922 6.108 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.164 -14.008 4.023 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -4.098 -14.887 5.222 1.00 0.00 H new ATOM 230 N ILE A 34 -1.770 -8.206 4.639 1.00 0.00 N ATOM 231 CA ILE A 34 -1.365 -6.844 4.340 1.00 0.00 C ATOM 232 C ILE A 34 -1.777 -6.490 2.913 1.00 0.00 C ATOM 233 O ILE A 34 -1.526 -7.258 1.986 1.00 0.00 O ATOM 234 CB ILE A 34 0.162 -6.684 4.491 1.00 0.00 C ATOM 235 CG1 ILE A 34 0.625 -5.331 3.951 1.00 0.00 C ATOM 236 CG2 ILE A 34 0.880 -7.820 3.777 1.00 0.00 C ATOM 237 CD1 ILE A 34 0.019 -4.157 4.680 1.00 0.00 C ATOM 0 H ILE A 34 -1.839 -8.809 3.819 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.857 -6.172 5.043 1.00 0.00 H new ATOM 0 HB ILE A 34 0.410 -6.724 5.552 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.711 -5.272 4.022 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.370 -5.264 2.893 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.957 -7.697 3.890 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.576 -8.772 4.211 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.622 -7.805 2.718 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.390 -3.228 4.246 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.067 -4.192 4.588 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.295 -4.201 5.734 1.00 0.00 H new ATOM 249 N TYR A 35 -2.423 -5.341 2.734 1.00 0.00 N ATOM 250 CA TYR A 35 -2.871 -4.936 1.409 1.00 0.00 C ATOM 251 C TYR A 35 -2.900 -3.421 1.250 1.00 0.00 C ATOM 252 O TYR A 35 -3.129 -2.685 2.205 1.00 0.00 O ATOM 253 CB TYR A 35 -4.283 -5.472 1.147 1.00 0.00 C ATOM 254 CG TYR A 35 -4.338 -6.932 0.764 1.00 0.00 C ATOM 255 CD1 TYR A 35 -4.134 -7.926 1.711 1.00 0.00 C ATOM 256 CD2 TYR A 35 -4.597 -7.315 -0.546 1.00 0.00 C ATOM 257 CE1 TYR A 35 -4.184 -9.260 1.365 1.00 0.00 C ATOM 258 CE2 TYR A 35 -4.649 -8.650 -0.900 1.00 0.00 C ATOM 259 CZ TYR A 35 -4.442 -9.618 0.058 1.00 0.00 C ATOM 260 OH TYR A 35 -4.494 -10.948 -0.292 1.00 0.00 O ATOM 0 H TYR A 35 -2.645 -4.683 3.481 1.00 0.00 H new ATOM 0 HA TYR A 35 -2.159 -5.349 0.694 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.887 -5.321 2.042 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.740 -4.883 0.351 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.933 -7.650 2.736 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.760 -6.558 -1.299 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.022 -10.021 2.114 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.851 -8.933 -1.923 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.687 -11.027 -1.250 1.00 0.00 H new ATOM 270 N ALA A 36 -2.726 -2.978 0.014 1.00 0.00 N ATOM 271 CA ALA A 36 -2.794 -1.561 -0.324 1.00 0.00 C ATOM 272 C ALA A 36 -3.587 -1.405 -1.606 1.00 0.00 C ATOM 273 O ALA A 36 -3.227 -1.965 -2.641 1.00 0.00 O ATOM 274 CB ALA A 36 -1.416 -0.930 -0.478 1.00 0.00 C ATOM 0 H ALA A 36 -2.534 -3.587 -0.782 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.285 -1.039 0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.525 0.125 -0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.866 -1.025 0.458 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.870 -1.438 -1.273 1.00 0.00 H new ATOM 280 N GLN A 37 -4.669 -0.653 -1.530 1.00 0.00 N ATOM 281 CA GLN A 37 -5.523 -0.432 -2.681 1.00 0.00 C ATOM 282 C GLN A 37 -5.454 1.016 -3.117 1.00 0.00 C ATOM 283 O GLN A 37 -5.901 1.917 -2.406 1.00 0.00 O ATOM 284 CB GLN A 37 -6.968 -0.821 -2.361 1.00 0.00 C ATOM 285 CG GLN A 37 -7.538 -1.868 -3.304 1.00 0.00 C ATOM 286 CD GLN A 37 -7.470 -3.269 -2.728 1.00 0.00 C ATOM 287 OE1 GLN A 37 -6.809 -3.505 -1.717 1.00 0.00 O ATOM 288 NE2 GLN A 37 -8.153 -4.207 -3.373 1.00 0.00 N ATOM 0 H GLN A 37 -4.978 -0.183 -0.679 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.169 -1.061 -3.498 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.016 -1.199 -1.340 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.593 0.071 -2.401 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.576 -1.622 -3.530 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.991 -1.839 -4.246 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.688 -3.966 -4.208 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.143 -5.169 -3.034 1.00 0.00 H new ATOM 297 N ILE A 38 -4.897 1.232 -4.292 1.00 0.00 N ATOM 298 CA ILE A 38 -4.773 2.567 -4.835 1.00 0.00 C ATOM 299 C ILE A 38 -5.944 2.832 -5.768 1.00 0.00 C ATOM 300 O ILE A 38 -5.964 2.373 -6.913 1.00 0.00 O ATOM 301 CB ILE A 38 -3.434 2.765 -5.574 1.00 0.00 C ATOM 302 CG1 ILE A 38 -2.343 1.828 -4.997 1.00 0.00 C ATOM 303 CG2 ILE A 38 -3.017 4.227 -5.490 1.00 0.00 C ATOM 304 CD1 ILE A 38 -1.451 2.443 -3.939 1.00 0.00 C ATOM 0 H ILE A 38 -4.522 0.496 -4.890 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.787 3.280 -4.010 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.561 2.502 -6.624 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.830 0.950 -4.572 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.717 1.479 -5.818 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.071 4.366 -6.013 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.782 4.851 -5.953 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.900 4.512 -4.445 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.723 1.704 -3.602 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.928 3.302 -4.359 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.059 2.765 -3.093 1.00 0.00 H new ATOM 316 N ILE A 39 -6.943 3.530 -5.235 1.00 0.00 N ATOM 317 CA ILE A 39 -8.170 3.822 -5.971 1.00 0.00 C ATOM 318 C ILE A 39 -8.186 5.218 -6.579 1.00 0.00 C ATOM 319 O ILE A 39 -7.459 6.113 -6.150 1.00 0.00 O ATOM 320 CB ILE A 39 -9.396 3.701 -5.044 1.00 0.00 C ATOM 321 CG1 ILE A 39 -9.292 2.448 -4.173 1.00 0.00 C ATOM 322 CG2 ILE A 39 -10.684 3.692 -5.852 1.00 0.00 C ATOM 323 CD1 ILE A 39 -8.818 2.739 -2.767 1.00 0.00 C ATOM 0 H ILE A 39 -6.926 3.907 -4.287 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.210 3.091 -6.779 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.415 4.571 -4.388 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.267 1.963 -4.128 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.606 1.743 -4.642 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.536 3.606 -5.178 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.763 4.619 -6.420 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.677 2.845 -6.538 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.766 1.809 -2.201 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.830 3.197 -2.804 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.516 3.421 -2.281 1.00 0.00 H new ATOM 335 N ASP A 40 -9.065 5.392 -7.562 1.00 0.00 N ATOM 336 CA ASP A 40 -9.250 6.670 -8.224 1.00 0.00 C ATOM 337 C ASP A 40 -10.376 7.420 -7.526 1.00 0.00 C ATOM 338 O ASP A 40 -11.527 6.957 -7.517 1.00 0.00 O ATOM 339 CB ASP A 40 -9.588 6.472 -9.706 1.00 0.00 C ATOM 340 CG ASP A 40 -8.671 7.262 -10.619 1.00 0.00 C ATOM 341 OD1 ASP A 40 -8.312 8.402 -10.258 1.00 0.00 O ATOM 342 OD2 ASP A 40 -8.314 6.741 -11.697 1.00 0.00 O ATOM 0 H ASP A 40 -9.666 4.649 -7.918 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.325 7.244 -8.166 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.518 5.413 -9.953 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.620 6.773 -9.884 1.00 0.00 H new ATOM 347 N ASP A 41 -10.017 8.553 -6.921 1.00 0.00 N ATOM 348 CA ASP A 41 -10.956 9.390 -6.171 1.00 0.00 C ATOM 349 C ASP A 41 -11.612 10.457 -7.046 1.00 0.00 C ATOM 350 O ASP A 41 -12.076 11.483 -6.550 1.00 0.00 O ATOM 351 CB ASP A 41 -10.241 10.056 -4.994 1.00 0.00 C ATOM 352 CG ASP A 41 -11.211 10.596 -3.961 1.00 0.00 C ATOM 353 OD1 ASP A 41 -12.062 9.819 -3.481 1.00 0.00 O ATOM 354 OD2 ASP A 41 -11.118 11.798 -3.631 1.00 0.00 O ATOM 0 H ASP A 41 -9.064 8.918 -6.937 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.747 8.736 -5.804 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.575 9.334 -4.521 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.618 10.870 -5.364 1.00 0.00 H new ATOM 359 N GLU A 42 -11.699 10.179 -8.335 1.00 0.00 N ATOM 360 CA GLU A 42 -12.359 11.075 -9.282 1.00 0.00 C ATOM 361 C GLU A 42 -13.642 10.380 -9.664 1.00 0.00 C ATOM 362 O GLU A 42 -14.743 10.924 -9.575 1.00 0.00 O ATOM 363 CB GLU A 42 -11.481 11.321 -10.512 1.00 0.00 C ATOM 364 CG GLU A 42 -12.190 12.071 -11.628 1.00 0.00 C ATOM 365 CD GLU A 42 -11.233 12.582 -12.687 1.00 0.00 C ATOM 366 OE1 GLU A 42 -10.053 12.821 -12.355 1.00 0.00 O ATOM 367 OE2 GLU A 42 -11.663 12.742 -13.848 1.00 0.00 O ATOM 0 H GLU A 42 -11.318 9.332 -8.758 1.00 0.00 H new ATOM 0 HA GLU A 42 -12.546 12.055 -8.844 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.598 11.885 -10.211 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.131 10.363 -10.895 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.924 11.413 -12.094 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.739 12.912 -11.204 1.00 0.00 H new ATOM 374 N LYS A 43 -13.453 9.116 -9.985 1.00 0.00 N ATOM 375 CA LYS A 43 -14.514 8.196 -10.281 1.00 0.00 C ATOM 376 C LYS A 43 -14.134 6.927 -9.547 1.00 0.00 C ATOM 377 O LYS A 43 -13.072 6.367 -9.809 1.00 0.00 O ATOM 378 CB LYS A 43 -14.626 7.943 -11.785 1.00 0.00 C ATOM 379 CG LYS A 43 -15.566 8.902 -12.498 1.00 0.00 C ATOM 380 CD LYS A 43 -14.825 10.117 -13.033 1.00 0.00 C ATOM 381 CE LYS A 43 -15.319 10.511 -14.417 1.00 0.00 C ATOM 382 NZ LYS A 43 -14.211 10.552 -15.411 1.00 0.00 N ATOM 0 H LYS A 43 -12.526 8.695 -10.047 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.486 8.580 -9.971 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.635 8.020 -12.232 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.971 6.922 -11.948 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -16.059 8.385 -13.321 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -16.347 9.225 -11.810 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.956 10.954 -12.348 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.757 9.903 -13.075 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -16.077 9.801 -14.748 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.798 11.489 -14.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.589 10.824 -16.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.499 11.248 -15.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.770 9.613 -15.478 1.00 0.00 H new ATOM 396 N GLY A 44 -14.959 6.500 -8.602 1.00 0.00 N ATOM 397 CA GLY A 44 -14.631 5.319 -7.824 1.00 0.00 C ATOM 398 C GLY A 44 -14.055 4.208 -8.675 1.00 0.00 C ATOM 399 O GLY A 44 -14.796 3.390 -9.220 1.00 0.00 O ATOM 0 H GLY A 44 -15.844 6.945 -8.360 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.914 5.587 -7.047 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.528 4.959 -7.320 1.00 0.00 H new ATOM 403 N VAL A 45 -12.730 4.197 -8.823 1.00 0.00 N ATOM 404 CA VAL A 45 -12.087 3.187 -9.661 1.00 0.00 C ATOM 405 C VAL A 45 -10.816 2.614 -9.038 1.00 0.00 C ATOM 406 O VAL A 45 -9.806 3.300 -8.936 1.00 0.00 O ATOM 407 CB VAL A 45 -11.730 3.787 -11.036 1.00 0.00 C ATOM 408 CG1 VAL A 45 -11.029 2.758 -11.914 1.00 0.00 C ATOM 409 CG2 VAL A 45 -12.976 4.326 -11.726 1.00 0.00 C ATOM 0 H VAL A 45 -12.093 4.861 -8.383 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.806 2.374 -9.764 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.042 4.617 -10.875 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.788 3.206 -12.878 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.111 2.429 -11.427 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.686 1.902 -12.066 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.703 4.745 -12.695 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.691 3.516 -11.870 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.427 5.103 -11.108 1.00 0.00 H new ATOM 419 N THR A 46 -10.854 1.336 -8.668 1.00 0.00 N ATOM 420 CA THR A 46 -9.679 0.679 -8.104 1.00 0.00 C ATOM 421 C THR A 46 -8.670 0.412 -9.215 1.00 0.00 C ATOM 422 O THR A 46 -8.977 -0.280 -10.186 1.00 0.00 O ATOM 423 CB THR A 46 -10.063 -0.633 -7.413 1.00 0.00 C ATOM 424 OG1 THR A 46 -11.197 -0.449 -6.585 1.00 0.00 O ATOM 425 CG2 THR A 46 -8.953 -1.206 -6.552 1.00 0.00 C ATOM 0 H THR A 46 -11.678 0.740 -8.748 1.00 0.00 H new ATOM 0 HA THR A 46 -9.235 1.335 -7.355 1.00 0.00 H new ATOM 0 HB THR A 46 -10.272 -1.334 -8.221 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.428 -1.298 -6.154 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.292 -2.134 -6.092 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.078 -1.406 -7.171 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.690 -0.490 -5.773 1.00 0.00 H new ATOM 433 N LEU A 47 -7.478 0.983 -9.087 1.00 0.00 N ATOM 434 CA LEU A 47 -6.451 0.817 -10.107 1.00 0.00 C ATOM 435 C LEU A 47 -5.439 -0.256 -9.735 1.00 0.00 C ATOM 436 O LEU A 47 -5.239 -1.213 -10.483 1.00 0.00 O ATOM 437 CB LEU A 47 -5.727 2.138 -10.357 1.00 0.00 C ATOM 438 CG LEU A 47 -6.632 3.357 -10.468 1.00 0.00 C ATOM 439 CD1 LEU A 47 -6.915 3.952 -9.097 1.00 0.00 C ATOM 440 CD2 LEU A 47 -6.008 4.393 -11.386 1.00 0.00 C ATOM 0 H LEU A 47 -7.201 1.561 -8.293 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.958 0.498 -11.018 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.016 2.304 -9.547 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.148 2.049 -11.276 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.583 3.041 -10.897 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.564 4.821 -9.205 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.407 3.207 -8.472 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.977 4.254 -8.631 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.665 5.260 -11.457 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.043 4.701 -10.984 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.867 3.963 -12.378 1.00 0.00 H new ATOM 452 N VAL A 48 -4.777 -0.086 -8.595 1.00 0.00 N ATOM 453 CA VAL A 48 -3.767 -1.043 -8.173 1.00 0.00 C ATOM 454 C VAL A 48 -4.049 -1.605 -6.782 1.00 0.00 C ATOM 455 O VAL A 48 -4.583 -0.919 -5.910 1.00 0.00 O ATOM 456 CB VAL A 48 -2.363 -0.398 -8.212 1.00 0.00 C ATOM 457 CG1 VAL A 48 -1.455 -0.956 -7.125 1.00 0.00 C ATOM 458 CG2 VAL A 48 -1.741 -0.588 -9.586 1.00 0.00 C ATOM 0 H VAL A 48 -4.921 0.696 -7.956 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.801 -1.876 -8.875 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.477 0.669 -8.019 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.478 -0.477 -7.186 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.895 -0.760 -6.147 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.341 -2.031 -7.262 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.752 -0.130 -9.604 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.652 -1.653 -9.801 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.372 -0.117 -10.339 1.00 0.00 H new ATOM 468 N SER A 49 -3.663 -2.863 -6.592 1.00 0.00 N ATOM 469 CA SER A 49 -3.841 -3.548 -5.320 1.00 0.00 C ATOM 470 C SER A 49 -2.742 -4.588 -5.131 1.00 0.00 C ATOM 471 O SER A 49 -2.651 -5.553 -5.889 1.00 0.00 O ATOM 472 CB SER A 49 -5.218 -4.207 -5.258 1.00 0.00 C ATOM 473 OG SER A 49 -5.373 -5.169 -6.286 1.00 0.00 O ATOM 0 H SER A 49 -3.220 -3.433 -7.313 1.00 0.00 H new ATOM 0 HA SER A 49 -3.775 -2.817 -4.514 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.352 -4.684 -4.287 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.993 -3.446 -5.349 1.00 0.00 H new ATOM 0 HG SER A 49 -4.509 -5.593 -6.471 1.00 0.00 H new ATOM 479 N ALA A 50 -1.898 -4.376 -4.127 1.00 0.00 N ATOM 480 CA ALA A 50 -0.789 -5.291 -3.857 1.00 0.00 C ATOM 481 C ALA A 50 -0.779 -5.761 -2.406 1.00 0.00 C ATOM 482 O ALA A 50 -1.226 -5.049 -1.508 1.00 0.00 O ATOM 483 CB ALA A 50 0.534 -4.624 -4.202 1.00 0.00 C ATOM 0 H ALA A 50 -1.958 -3.583 -3.488 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.927 -6.171 -4.486 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.353 -5.313 -3.997 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.541 -4.355 -5.258 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.657 -3.725 -3.598 1.00 0.00 H new ATOM 489 N SER A 51 -0.263 -6.970 -2.187 1.00 0.00 N ATOM 490 CA SER A 51 -0.191 -7.540 -0.845 1.00 0.00 C ATOM 491 C SER A 51 0.994 -8.492 -0.704 1.00 0.00 C ATOM 492 O SER A 51 1.312 -9.245 -1.625 1.00 0.00 O ATOM 493 CB SER A 51 -1.488 -8.278 -0.518 1.00 0.00 C ATOM 494 OG SER A 51 -1.289 -9.240 0.503 1.00 0.00 O ATOM 0 H SER A 51 0.110 -7.572 -2.921 1.00 0.00 H new ATOM 0 HA SER A 51 -0.051 -6.719 -0.142 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.247 -7.562 -0.203 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.866 -8.769 -1.415 1.00 0.00 H new ATOM 0 HG SER A 51 -1.362 -8.807 1.379 1.00 0.00 H new ATOM 500 N SER A 52 1.636 -8.460 0.460 1.00 0.00 N ATOM 501 CA SER A 52 2.781 -9.329 0.730 1.00 0.00 C ATOM 502 C SER A 52 2.405 -10.803 0.568 1.00 0.00 C ATOM 503 O SER A 52 3.183 -11.590 0.030 1.00 0.00 O ATOM 504 CB SER A 52 3.316 -9.083 2.142 1.00 0.00 C ATOM 505 OG SER A 52 3.651 -7.719 2.330 1.00 0.00 O ATOM 0 H SER A 52 1.384 -7.843 1.232 1.00 0.00 H new ATOM 0 HA SER A 52 3.559 -9.090 0.005 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.567 -9.381 2.875 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.195 -9.704 2.314 1.00 0.00 H new ATOM 0 HG SER A 52 3.989 -7.588 3.241 1.00 0.00 H new ATOM 511 N LEU A 53 1.215 -11.178 1.038 1.00 0.00 N ATOM 512 CA LEU A 53 0.769 -12.566 0.935 1.00 0.00 C ATOM 513 C LEU A 53 0.603 -12.977 -0.525 1.00 0.00 C ATOM 514 O LEU A 53 1.080 -14.035 -0.934 1.00 0.00 O ATOM 515 CB LEU A 53 -0.530 -12.791 1.723 1.00 0.00 C ATOM 516 CG LEU A 53 -1.826 -12.370 1.026 1.00 0.00 C ATOM 517 CD1 LEU A 53 -2.243 -13.403 -0.014 1.00 0.00 C ATOM 518 CD2 LEU A 53 -2.929 -12.174 2.054 1.00 0.00 C ATOM 0 H LEU A 53 0.551 -10.549 1.488 1.00 0.00 H new ATOM 0 HA LEU A 53 1.539 -13.199 1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.602 -13.850 1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.457 -12.249 2.666 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.651 -11.425 0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.166 -13.082 -0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.458 -13.502 -0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.403 -14.365 0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.848 -11.875 1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.097 -13.108 2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.634 -11.399 2.761 1.00 0.00 H new ATOM 530 N ALA A 54 -0.050 -12.129 -1.319 1.00 0.00 N ATOM 531 CA ALA A 54 -0.235 -12.416 -2.740 1.00 0.00 C ATOM 532 C ALA A 54 1.124 -12.634 -3.396 1.00 0.00 C ATOM 533 O ALA A 54 1.265 -13.409 -4.342 1.00 0.00 O ATOM 534 CB ALA A 54 -0.982 -11.279 -3.422 1.00 0.00 C ATOM 0 H ALA A 54 -0.456 -11.247 -1.006 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.832 -13.322 -2.846 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.110 -11.511 -4.479 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.960 -11.155 -2.956 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.412 -10.356 -3.319 1.00 0.00 H new ATOM 540 N LEU A 55 2.120 -11.947 -2.851 1.00 0.00 N ATOM 541 CA LEU A 55 3.495 -12.038 -3.317 1.00 0.00 C ATOM 542 C LEU A 55 4.258 -13.103 -2.536 1.00 0.00 C ATOM 543 O LEU A 55 5.486 -13.142 -2.586 1.00 0.00 O ATOM 544 CB LEU A 55 4.197 -10.690 -3.171 1.00 0.00 C ATOM 545 CG LEU A 55 4.086 -9.779 -4.386 1.00 0.00 C ATOM 546 CD1 LEU A 55 2.815 -8.947 -4.321 1.00 0.00 C ATOM 547 CD2 LEU A 55 5.307 -8.887 -4.477 1.00 0.00 C ATOM 0 H LEU A 55 1.994 -11.307 -2.067 1.00 0.00 H new ATOM 0 HA LEU A 55 3.478 -12.319 -4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.782 -10.172 -2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.252 -10.866 -2.961 1.00 0.00 H new ATOM 0 HG LEU A 55 4.037 -10.397 -5.283 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.756 -8.303 -5.199 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.948 -9.608 -4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.828 -8.332 -3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.220 -8.239 -5.349 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.380 -8.277 -3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.201 -9.503 -4.571 1.00 0.00 H new ATOM 559 N LYS A 56 3.513 -13.935 -1.788 1.00 0.00 N ATOM 560 CA LYS A 56 4.082 -14.986 -0.932 1.00 0.00 C ATOM 561 C LYS A 56 5.607 -14.964 -0.922 1.00 0.00 C ATOM 562 O LYS A 56 6.272 -15.910 -1.345 1.00 0.00 O ATOM 563 CB LYS A 56 3.583 -16.360 -1.388 1.00 0.00 C ATOM 564 CG LYS A 56 2.406 -16.879 -0.578 1.00 0.00 C ATOM 565 CD LYS A 56 1.556 -17.846 -1.386 1.00 0.00 C ATOM 566 CE LYS A 56 1.831 -19.290 -0.997 1.00 0.00 C ATOM 567 NZ LYS A 56 1.648 -20.219 -2.147 1.00 0.00 N ATOM 0 H LYS A 56 2.494 -13.896 -1.761 1.00 0.00 H new ATOM 0 HA LYS A 56 3.747 -14.790 0.087 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.294 -16.303 -2.437 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.403 -17.075 -1.322 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.772 -17.378 0.319 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.792 -16.041 -0.249 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.501 -17.621 -1.231 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.758 -17.710 -2.448 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.850 -19.377 -0.619 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.164 -19.581 -0.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.845 -21.193 -1.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.669 -20.156 -2.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.302 -19.958 -2.912 1.00 0.00 H new ATOM 581 N LEU A 57 6.137 -13.855 -0.418 1.00 0.00 N ATOM 582 CA LEU A 57 7.577 -13.651 -0.314 1.00 0.00 C ATOM 583 C LEU A 57 8.191 -14.659 0.652 1.00 0.00 C ATOM 584 O LEU A 57 7.480 -15.446 1.277 1.00 0.00 O ATOM 585 CB LEU A 57 7.898 -12.218 0.154 1.00 0.00 C ATOM 586 CG LEU A 57 6.738 -11.423 0.746 1.00 0.00 C ATOM 587 CD1 LEU A 57 7.259 -10.391 1.730 1.00 0.00 C ATOM 588 CD2 LEU A 57 5.926 -10.756 -0.354 1.00 0.00 C ATOM 0 H LEU A 57 5.581 -13.073 -0.071 1.00 0.00 H new ATOM 0 HA LEU A 57 8.008 -13.798 -1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.691 -12.272 0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.295 -11.662 -0.695 1.00 0.00 H new ATOM 0 HG LEU A 57 6.082 -12.111 1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.422 -9.830 2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.795 -10.894 2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.935 -9.707 1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.104 -10.194 0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.566 -10.078 -0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.525 -11.517 -1.023 1.00 0.00 H new ATOM 600 N LYS A 58 9.514 -14.629 0.773 1.00 0.00 N ATOM 601 CA LYS A 58 10.219 -15.539 1.667 1.00 0.00 C ATOM 602 C LYS A 58 10.975 -14.765 2.744 1.00 0.00 C ATOM 603 O LYS A 58 12.145 -15.036 3.014 1.00 0.00 O ATOM 604 CB LYS A 58 11.188 -16.418 0.873 1.00 0.00 C ATOM 605 CG LYS A 58 11.191 -17.872 1.315 1.00 0.00 C ATOM 606 CD LYS A 58 12.333 -18.647 0.679 1.00 0.00 C ATOM 607 CE LYS A 58 12.199 -20.141 0.930 1.00 0.00 C ATOM 608 NZ LYS A 58 12.963 -20.573 2.133 1.00 0.00 N ATOM 0 H LYS A 58 10.119 -13.985 0.263 1.00 0.00 H new ATOM 0 HA LYS A 58 9.482 -16.176 2.155 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.927 -16.369 -0.184 1.00 0.00 H new ATOM 0 HB3 LYS A 58 12.196 -16.015 0.972 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.276 -17.923 2.400 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.242 -18.336 1.047 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.350 -18.457 -0.394 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.283 -18.293 1.080 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.147 -20.395 1.058 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.555 -20.689 0.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.846 -21.597 2.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.971 -20.354 2.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.606 -20.069 2.970 1.00 0.00 H new ATOM 622 N GLY A 59 10.296 -13.800 3.357 1.00 0.00 N ATOM 623 CA GLY A 59 10.918 -13.002 4.397 1.00 0.00 C ATOM 624 C GLY A 59 10.019 -12.819 5.605 1.00 0.00 C ATOM 625 O GLY A 59 9.487 -13.789 6.144 1.00 0.00 O ATOM 0 H GLY A 59 9.327 -13.557 3.152 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.848 -13.478 4.709 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.181 -12.025 3.992 1.00 0.00 H new ATOM 629 N ASN A 60 9.850 -11.571 6.031 1.00 0.00 N ATOM 630 CA ASN A 60 9.010 -11.263 7.183 1.00 0.00 C ATOM 631 C ASN A 60 7.715 -10.584 6.748 1.00 0.00 C ATOM 632 O ASN A 60 7.408 -10.516 5.557 1.00 0.00 O ATOM 633 CB ASN A 60 9.768 -10.367 8.166 1.00 0.00 C ATOM 634 CG ASN A 60 9.788 -10.936 9.571 1.00 0.00 C ATOM 635 OD1 ASN A 60 9.026 -10.508 10.438 1.00 0.00 O ATOM 636 ND2 ASN A 60 10.664 -11.907 9.803 1.00 0.00 N ATOM 0 H ASN A 60 10.284 -10.757 5.596 1.00 0.00 H new ATOM 0 HA ASN A 60 8.756 -12.200 7.678 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.792 -10.234 7.816 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.306 -9.380 8.183 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.724 -12.329 10.730 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.276 -12.231 9.054 1.00 0.00 H new ATOM 643 N LYS A 61 6.958 -10.084 7.720 1.00 0.00 N ATOM 644 CA LYS A 61 5.695 -9.411 7.436 1.00 0.00 C ATOM 645 C LYS A 61 5.900 -7.906 7.288 1.00 0.00 C ATOM 646 O LYS A 61 5.423 -7.297 6.330 1.00 0.00 O ATOM 647 CB LYS A 61 4.677 -9.696 8.543 1.00 0.00 C ATOM 648 CG LYS A 61 5.097 -9.179 9.911 1.00 0.00 C ATOM 649 CD LYS A 61 4.382 -9.919 11.031 1.00 0.00 C ATOM 650 CE LYS A 61 5.348 -10.343 12.126 1.00 0.00 C ATOM 651 NZ LYS A 61 4.635 -10.808 13.348 1.00 0.00 N ATOM 0 H LYS A 61 7.197 -10.132 8.710 1.00 0.00 H new ATOM 0 HA LYS A 61 5.310 -9.800 6.493 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.723 -9.244 8.271 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.514 -10.772 8.606 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.175 -9.292 10.029 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.879 -8.113 9.981 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.608 -9.279 11.455 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.882 -10.798 10.626 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.990 -11.142 11.754 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.997 -9.505 12.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.329 -11.088 14.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.042 -10.038 13.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.035 -11.624 13.111 1.00 0.00 H new ATOM 665 N THR A 62 6.614 -7.313 8.239 1.00 0.00 N ATOM 666 CA THR A 62 6.883 -5.880 8.211 1.00 0.00 C ATOM 667 C THR A 62 8.213 -5.590 7.522 1.00 0.00 C ATOM 668 O THR A 62 8.418 -4.505 6.977 1.00 0.00 O ATOM 669 CB THR A 62 6.898 -5.314 9.632 1.00 0.00 C ATOM 670 OG1 THR A 62 7.441 -6.254 10.541 1.00 0.00 O ATOM 671 CG2 THR A 62 5.523 -4.928 10.135 1.00 0.00 C ATOM 0 H THR A 62 7.017 -7.802 9.038 1.00 0.00 H new ATOM 0 HA THR A 62 6.087 -5.397 7.644 1.00 0.00 H new ATOM 0 HB THR A 62 7.514 -4.416 9.580 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.443 -5.872 11.444 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.604 -4.534 11.148 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.097 -4.166 9.482 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.877 -5.806 10.138 1.00 0.00 H new ATOM 679 N GLU A 63 9.116 -6.566 7.552 1.00 0.00 N ATOM 680 CA GLU A 63 10.428 -6.415 6.933 1.00 0.00 C ATOM 681 C GLU A 63 10.302 -6.088 5.448 1.00 0.00 C ATOM 682 O GLU A 63 11.029 -5.242 4.927 1.00 0.00 O ATOM 683 CB GLU A 63 11.250 -7.693 7.117 1.00 0.00 C ATOM 684 CG GLU A 63 12.685 -7.567 6.634 1.00 0.00 C ATOM 685 CD GLU A 63 13.353 -8.913 6.433 1.00 0.00 C ATOM 686 OE1 GLU A 63 13.311 -9.742 7.367 1.00 0.00 O ATOM 687 OE2 GLU A 63 13.918 -9.139 5.342 1.00 0.00 O ATOM 0 H GLU A 63 8.963 -7.470 7.999 1.00 0.00 H new ATOM 0 HA GLU A 63 10.938 -5.586 7.424 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.253 -7.964 8.173 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.765 -8.508 6.580 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.701 -7.014 5.695 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.258 -6.986 7.356 1.00 0.00 H new ATOM 694 N VAL A 64 9.380 -6.765 4.770 1.00 0.00 N ATOM 695 CA VAL A 64 9.172 -6.541 3.344 1.00 0.00 C ATOM 696 C VAL A 64 8.067 -5.523 3.089 1.00 0.00 C ATOM 697 O VAL A 64 7.970 -4.987 1.990 1.00 0.00 O ATOM 698 CB VAL A 64 8.822 -7.849 2.604 1.00 0.00 C ATOM 699 CG1 VAL A 64 8.591 -7.586 1.116 1.00 0.00 C ATOM 700 CG2 VAL A 64 9.922 -8.881 2.807 1.00 0.00 C ATOM 0 H VAL A 64 8.768 -7.469 5.183 1.00 0.00 H new ATOM 0 HA VAL A 64 10.115 -6.153 2.959 1.00 0.00 H new ATOM 0 HB VAL A 64 7.896 -8.245 3.022 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.346 -8.522 0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.767 -6.883 0.994 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.495 -7.165 0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.662 -9.799 2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.862 -8.492 2.416 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.031 -9.092 3.871 1.00 0.00 H new ATOM 710 N ALA A 65 7.232 -5.261 4.096 1.00 0.00 N ATOM 711 CA ALA A 65 6.131 -4.306 3.947 1.00 0.00 C ATOM 712 C ALA A 65 6.519 -3.147 3.036 1.00 0.00 C ATOM 713 O ALA A 65 5.726 -2.696 2.214 1.00 0.00 O ATOM 714 CB ALA A 65 5.686 -3.786 5.299 1.00 0.00 C ATOM 0 H ALA A 65 7.296 -5.693 5.018 1.00 0.00 H new ATOM 0 HA ALA A 65 5.298 -4.834 3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.868 -3.078 5.165 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.348 -4.619 5.916 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.521 -3.286 5.790 1.00 0.00 H new ATOM 720 N ARG A 66 7.754 -2.688 3.165 1.00 0.00 N ATOM 721 CA ARG A 66 8.244 -1.608 2.325 1.00 0.00 C ATOM 722 C ARG A 66 8.342 -2.093 0.904 1.00 0.00 C ATOM 723 O ARG A 66 7.691 -1.572 0.001 1.00 0.00 O ATOM 724 CB ARG A 66 9.605 -1.136 2.797 1.00 0.00 C ATOM 725 CG ARG A 66 9.712 0.365 2.824 1.00 0.00 C ATOM 726 CD ARG A 66 10.828 0.856 1.933 1.00 0.00 C ATOM 727 NE ARG A 66 12.138 0.373 2.367 1.00 0.00 N ATOM 728 CZ ARG A 66 12.785 -0.647 1.803 1.00 0.00 C ATOM 729 NH1 ARG A 66 12.247 -1.314 0.789 1.00 0.00 N ATOM 730 NH2 ARG A 66 13.977 -1.006 2.261 1.00 0.00 N ATOM 0 H ARG A 66 8.431 -3.044 3.839 1.00 0.00 H new ATOM 0 HA ARG A 66 7.549 -0.771 2.386 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.797 -1.530 3.795 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.375 -1.541 2.141 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.768 0.804 2.502 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.887 0.700 3.846 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.643 0.529 0.910 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.830 1.946 1.924 1.00 0.00 H new ATOM 0 HE ARG A 66 12.586 0.847 3.152 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.329 -1.048 0.433 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.752 -2.093 0.366 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.396 -0.502 3.043 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.475 -1.786 1.832 1.00 0.00 H new ATOM 744 N GLN A 67 9.140 -3.125 0.727 1.00 0.00 N ATOM 745 CA GLN A 67 9.307 -3.739 -0.576 1.00 0.00 C ATOM 746 C GLN A 67 7.935 -4.050 -1.170 1.00 0.00 C ATOM 747 O GLN A 67 7.781 -4.143 -2.388 1.00 0.00 O ATOM 748 CB GLN A 67 10.143 -5.013 -0.463 1.00 0.00 C ATOM 749 CG GLN A 67 11.637 -4.778 -0.626 1.00 0.00 C ATOM 750 CD GLN A 67 12.442 -5.298 0.548 1.00 0.00 C ATOM 751 OE1 GLN A 67 12.508 -4.663 1.601 1.00 0.00 O ATOM 752 NE2 GLN A 67 13.061 -6.459 0.373 1.00 0.00 N ATOM 0 H GLN A 67 9.686 -3.559 1.472 1.00 0.00 H new ATOM 0 HA GLN A 67 9.833 -3.047 -1.234 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.960 -5.473 0.508 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.811 -5.724 -1.220 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.980 -5.264 -1.540 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.822 -3.710 -0.744 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.979 -6.952 -0.516 1.00 0.00 H new ATOM 0 HE22 GLN A 67 13.619 -6.859 1.128 1.00 0.00 H new ATOM 761 N VAL A 68 6.922 -4.178 -0.303 1.00 0.00 N ATOM 762 CA VAL A 68 5.576 -4.436 -0.782 1.00 0.00 C ATOM 763 C VAL A 68 4.948 -3.129 -1.246 1.00 0.00 C ATOM 764 O VAL A 68 4.156 -3.106 -2.189 1.00 0.00 O ATOM 765 CB VAL A 68 4.666 -5.148 0.261 1.00 0.00 C ATOM 766 CG1 VAL A 68 3.886 -4.177 1.147 1.00 0.00 C ATOM 767 CG2 VAL A 68 3.699 -6.063 -0.466 1.00 0.00 C ATOM 0 H VAL A 68 7.014 -4.108 0.710 1.00 0.00 H new ATOM 0 HA VAL A 68 5.660 -5.131 -1.617 1.00 0.00 H new ATOM 0 HB VAL A 68 5.320 -5.716 0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.272 -4.739 1.851 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.584 -3.546 1.698 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.245 -3.552 0.525 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.058 -6.565 0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.084 -5.475 -1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.259 -6.807 -1.033 1.00 0.00 H new ATOM 777 N GLY A 69 5.338 -2.033 -0.593 1.00 0.00 N ATOM 778 CA GLY A 69 4.834 -0.735 -0.972 1.00 0.00 C ATOM 779 C GLY A 69 5.532 -0.232 -2.206 1.00 0.00 C ATOM 780 O GLY A 69 4.950 0.497 -2.990 1.00 0.00 O ATOM 0 H GLY A 69 5.993 -2.028 0.189 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.761 -0.795 -1.154 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.979 -0.030 -0.153 1.00 0.00 H new ATOM 784 N ARG A 70 6.796 -0.622 -2.374 1.00 0.00 N ATOM 785 CA ARG A 70 7.566 -0.202 -3.535 1.00 0.00 C ATOM 786 C ARG A 70 7.056 -0.932 -4.761 1.00 0.00 C ATOM 787 O ARG A 70 6.938 -0.347 -5.833 1.00 0.00 O ATOM 788 CB ARG A 70 9.067 -0.447 -3.326 1.00 0.00 C ATOM 789 CG ARG A 70 9.500 -1.891 -3.520 1.00 0.00 C ATOM 790 CD ARG A 70 9.914 -2.165 -4.957 1.00 0.00 C ATOM 791 NE ARG A 70 11.282 -1.726 -5.229 1.00 0.00 N ATOM 792 CZ ARG A 70 11.594 -0.564 -5.801 1.00 0.00 C ATOM 793 NH1 ARG A 70 10.643 0.291 -6.158 1.00 0.00 N ATOM 794 NH2 ARG A 70 12.866 -0.254 -6.015 1.00 0.00 N ATOM 0 H ARG A 70 7.301 -1.224 -1.724 1.00 0.00 H new ATOM 0 HA ARG A 70 7.437 0.871 -3.679 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.626 0.183 -4.018 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.338 -0.131 -2.318 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.332 -2.114 -2.853 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.682 -2.557 -3.244 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.829 -3.232 -5.161 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.229 -1.656 -5.635 1.00 0.00 H new ATOM 0 HE ARG A 70 12.045 -2.349 -4.964 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.663 0.061 -5.995 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.893 1.178 -6.595 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.602 -0.905 -5.742 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.108 0.635 -6.453 1.00 0.00 H new ATOM 808 N ALA A 71 6.711 -2.205 -4.585 1.00 0.00 N ATOM 809 CA ALA A 71 6.163 -2.989 -5.677 1.00 0.00 C ATOM 810 C ALA A 71 4.804 -2.422 -6.050 1.00 0.00 C ATOM 811 O ALA A 71 4.464 -2.302 -7.224 1.00 0.00 O ATOM 812 CB ALA A 71 6.044 -4.451 -5.284 1.00 0.00 C ATOM 0 H ALA A 71 6.802 -2.708 -3.702 1.00 0.00 H new ATOM 0 HA ALA A 71 6.831 -2.934 -6.536 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.631 -5.019 -6.117 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.030 -4.841 -5.032 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.385 -4.543 -4.420 1.00 0.00 H new ATOM 818 N LEU A 72 4.054 -2.031 -5.023 1.00 0.00 N ATOM 819 CA LEU A 72 2.745 -1.425 -5.205 1.00 0.00 C ATOM 820 C LEU A 72 2.931 -0.096 -5.899 1.00 0.00 C ATOM 821 O LEU A 72 2.370 0.166 -6.961 1.00 0.00 O ATOM 822 CB LEU A 72 2.089 -1.208 -3.845 1.00 0.00 C ATOM 823 CG LEU A 72 0.772 -0.430 -3.867 1.00 0.00 C ATOM 824 CD1 LEU A 72 -0.406 -1.362 -3.624 1.00 0.00 C ATOM 825 CD2 LEU A 72 0.800 0.683 -2.828 1.00 0.00 C ATOM 0 H LEU A 72 4.337 -2.126 -4.048 1.00 0.00 H new ATOM 0 HA LEU A 72 2.107 -2.075 -5.804 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.909 -2.181 -3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.793 -0.680 -3.202 1.00 0.00 H new ATOM 0 HG LEU A 72 0.651 0.019 -4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.333 -0.789 -3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.434 -2.124 -4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.296 -1.841 -2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.143 1.229 -2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.943 0.252 -1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.621 1.366 -3.048 1.00 0.00 H new ATOM 837 N ALA A 73 3.766 0.722 -5.284 1.00 0.00 N ATOM 838 CA ALA A 73 4.099 2.033 -5.824 1.00 0.00 C ATOM 839 C ALA A 73 4.630 1.892 -7.235 1.00 0.00 C ATOM 840 O ALA A 73 4.515 2.805 -8.043 1.00 0.00 O ATOM 841 CB ALA A 73 5.109 2.750 -4.934 1.00 0.00 C ATOM 0 H ALA A 73 4.230 0.501 -4.403 1.00 0.00 H new ATOM 0 HA ALA A 73 3.193 2.638 -5.850 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.341 3.726 -5.360 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.688 2.880 -3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.021 2.157 -4.868 1.00 0.00 H new ATOM 847 N GLU A 74 5.175 0.723 -7.532 1.00 0.00 N ATOM 848 CA GLU A 74 5.683 0.436 -8.853 1.00 0.00 C ATOM 849 C GLU A 74 4.503 0.239 -9.791 1.00 0.00 C ATOM 850 O GLU A 74 4.532 0.634 -10.956 1.00 0.00 O ATOM 851 CB GLU A 74 6.543 -0.818 -8.803 1.00 0.00 C ATOM 852 CG GLU A 74 7.670 -0.816 -9.814 1.00 0.00 C ATOM 853 CD GLU A 74 7.961 -2.196 -10.371 1.00 0.00 C ATOM 854 OE1 GLU A 74 6.996 -2.934 -10.663 1.00 0.00 O ATOM 855 OE2 GLU A 74 9.153 -2.539 -10.515 1.00 0.00 O ATOM 0 H GLU A 74 5.275 -0.044 -6.867 1.00 0.00 H new ATOM 0 HA GLU A 74 6.298 1.261 -9.214 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.963 -0.922 -7.802 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.912 -1.690 -8.976 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.416 -0.144 -10.634 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.571 -0.420 -9.346 1.00 0.00 H new ATOM 862 N LYS A 75 3.450 -0.357 -9.240 1.00 0.00 N ATOM 863 CA LYS A 75 2.218 -0.603 -9.968 1.00 0.00 C ATOM 864 C LYS A 75 1.488 0.697 -10.197 1.00 0.00 C ATOM 865 O LYS A 75 1.364 1.173 -11.324 1.00 0.00 O ATOM 866 CB LYS A 75 1.335 -1.532 -9.163 1.00 0.00 C ATOM 867 CG LYS A 75 1.980 -2.857 -8.915 1.00 0.00 C ATOM 868 CD LYS A 75 1.209 -3.667 -7.895 1.00 0.00 C ATOM 869 CE LYS A 75 1.082 -5.122 -8.315 1.00 0.00 C ATOM 870 NZ LYS A 75 -0.245 -5.692 -7.951 1.00 0.00 N ATOM 0 H LYS A 75 3.431 -0.682 -8.273 1.00 0.00 H new ATOM 0 HA LYS A 75 2.457 -1.058 -10.929 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.094 -1.064 -8.209 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.393 -1.682 -9.691 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.043 -3.413 -9.850 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.001 -2.706 -8.565 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.711 -3.609 -6.929 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.216 -3.238 -7.764 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.229 -5.203 -9.392 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.870 -5.707 -7.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.291 -6.686 -8.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.375 -5.638 -6.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.997 -5.150 -8.423 1.00 0.00 H new ATOM 884 N ALA A 76 1.016 1.266 -9.097 1.00 0.00 N ATOM 885 CA ALA A 76 0.297 2.541 -9.138 1.00 0.00 C ATOM 886 C ALA A 76 1.023 3.507 -10.060 1.00 0.00 C ATOM 887 O ALA A 76 0.414 4.227 -10.853 1.00 0.00 O ATOM 888 CB ALA A 76 0.183 3.150 -7.749 1.00 0.00 C ATOM 0 H ALA A 76 1.116 0.869 -8.163 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.709 2.355 -9.515 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.355 4.096 -7.809 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.358 2.466 -7.095 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.180 3.325 -7.346 1.00 0.00 H new ATOM 894 N LEU A 77 2.342 3.492 -9.953 1.00 0.00 N ATOM 895 CA LEU A 77 3.186 4.331 -10.776 1.00 0.00 C ATOM 896 C LEU A 77 2.967 4.050 -12.256 1.00 0.00 C ATOM 897 O LEU A 77 2.938 4.965 -13.078 1.00 0.00 O ATOM 898 CB LEU A 77 4.649 4.099 -10.423 1.00 0.00 C ATOM 899 CG LEU A 77 5.242 5.041 -9.381 1.00 0.00 C ATOM 900 CD1 LEU A 77 6.689 4.662 -9.105 1.00 0.00 C ATOM 901 CD2 LEU A 77 5.146 6.485 -9.853 1.00 0.00 C ATOM 0 H LEU A 77 2.851 2.901 -9.296 1.00 0.00 H new ATOM 0 HA LEU A 77 2.921 5.370 -10.581 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.758 3.076 -10.063 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.240 4.180 -11.335 1.00 0.00 H new ATOM 0 HG LEU A 77 4.673 4.948 -8.456 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.107 5.339 -8.360 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.732 3.639 -8.731 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.267 4.736 -10.026 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.574 7.144 -9.097 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.695 6.600 -10.787 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.100 6.747 -10.013 1.00 0.00 H new ATOM 913 N ALA A 78 2.816 2.774 -12.584 1.00 0.00 N ATOM 914 CA ALA A 78 2.597 2.353 -13.960 1.00 0.00 C ATOM 915 C ALA A 78 1.434 3.116 -14.589 1.00 0.00 C ATOM 916 O ALA A 78 1.368 3.276 -15.808 1.00 0.00 O ATOM 917 CB ALA A 78 2.359 0.858 -14.003 1.00 0.00 C ATOM 0 H ALA A 78 2.842 2.008 -11.911 1.00 0.00 H new ATOM 0 HA ALA A 78 3.488 2.583 -14.545 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.195 0.545 -15.034 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.229 0.339 -13.600 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.481 0.612 -13.406 1.00 0.00 H new ATOM 923 N LEU A 79 0.537 3.616 -13.743 1.00 0.00 N ATOM 924 CA LEU A 79 -0.600 4.398 -14.200 1.00 0.00 C ATOM 925 C LEU A 79 -0.199 5.865 -14.254 1.00 0.00 C ATOM 926 O LEU A 79 -0.748 6.654 -15.023 1.00 0.00 O ATOM 927 CB LEU A 79 -1.794 4.253 -13.245 1.00 0.00 C ATOM 928 CG LEU A 79 -1.814 3.016 -12.343 1.00 0.00 C ATOM 929 CD1 LEU A 79 -2.356 3.387 -10.971 1.00 0.00 C ATOM 930 CD2 LEU A 79 -2.654 1.912 -12.970 1.00 0.00 C ATOM 0 H LEU A 79 0.580 3.490 -12.732 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.893 4.035 -15.185 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.829 5.137 -12.609 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.707 4.253 -13.841 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.796 2.644 -12.230 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.368 2.503 -10.333 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.719 4.150 -10.522 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.370 3.775 -11.073 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.657 1.041 -12.315 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.676 2.266 -13.108 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.232 1.638 -13.937 1.00 0.00 H new ATOM 942 N GLY A 80 0.756 6.212 -13.400 1.00 0.00 N ATOM 943 CA GLY A 80 1.235 7.569 -13.306 1.00 0.00 C ATOM 944 C GLY A 80 0.780 8.220 -12.019 1.00 0.00 C ATOM 945 O GLY A 80 0.790 9.445 -11.891 1.00 0.00 O ATOM 0 H GLY A 80 1.212 5.560 -12.761 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.324 7.578 -13.356 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.872 8.146 -14.157 1.00 0.00 H new ATOM 949 N ILE A 81 0.374 7.389 -11.059 1.00 0.00 N ATOM 950 CA ILE A 81 -0.092 7.875 -9.774 1.00 0.00 C ATOM 951 C ILE A 81 1.070 8.410 -8.960 1.00 0.00 C ATOM 952 O ILE A 81 1.906 7.657 -8.460 1.00 0.00 O ATOM 953 CB ILE A 81 -0.857 6.768 -9.002 1.00 0.00 C ATOM 954 CG1 ILE A 81 -2.265 6.568 -9.593 1.00 0.00 C ATOM 955 CG2 ILE A 81 -0.957 7.097 -7.515 1.00 0.00 C ATOM 956 CD1 ILE A 81 -2.456 7.142 -10.985 1.00 0.00 C ATOM 0 H ILE A 81 0.361 6.374 -11.154 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.791 8.693 -9.949 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.293 5.842 -9.110 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.484 5.501 -9.622 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -2.994 7.025 -8.923 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.498 6.302 -7.002 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.044 7.184 -7.094 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.489 8.040 -7.386 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.476 6.954 -11.319 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.273 8.216 -10.964 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.756 6.668 -11.673 1.00 0.00 H new ATOM 968 N LYS A 82 1.114 9.728 -8.856 1.00 0.00 N ATOM 969 CA LYS A 82 2.157 10.407 -8.140 1.00 0.00 C ATOM 970 C LYS A 82 1.779 10.625 -6.685 1.00 0.00 C ATOM 971 O LYS A 82 2.478 10.187 -5.776 1.00 0.00 O ATOM 972 CB LYS A 82 2.409 11.746 -8.808 1.00 0.00 C ATOM 973 CG LYS A 82 3.701 12.354 -8.372 1.00 0.00 C ATOM 974 CD LYS A 82 4.259 13.316 -9.408 1.00 0.00 C ATOM 975 CE LYS A 82 4.652 12.592 -10.686 1.00 0.00 C ATOM 976 NZ LYS A 82 5.685 13.342 -11.453 1.00 0.00 N ATOM 0 H LYS A 82 0.420 10.350 -9.271 1.00 0.00 H new ATOM 0 HA LYS A 82 3.057 9.792 -8.161 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.417 11.616 -9.890 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.591 12.427 -8.575 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.553 12.882 -7.430 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.428 11.564 -8.183 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.515 14.079 -9.635 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.128 13.830 -8.998 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.031 11.600 -10.440 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.769 12.450 -11.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.926 12.816 -12.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.314 14.279 -11.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.537 13.456 -10.868 1.00 0.00 H new ATOM 990 N GLN A 83 0.669 11.315 -6.483 1.00 0.00 N ATOM 991 CA GLN A 83 0.177 11.614 -5.148 1.00 0.00 C ATOM 992 C GLN A 83 -1.115 10.859 -4.876 1.00 0.00 C ATOM 993 O GLN A 83 -1.906 10.619 -5.787 1.00 0.00 O ATOM 994 CB GLN A 83 -0.054 13.119 -4.998 1.00 0.00 C ATOM 995 CG GLN A 83 1.045 13.823 -4.224 1.00 0.00 C ATOM 996 CD GLN A 83 2.052 14.508 -5.126 1.00 0.00 C ATOM 997 OE1 GLN A 83 1.713 14.980 -6.212 1.00 0.00 O ATOM 998 NE2 GLN A 83 3.301 14.564 -4.679 1.00 0.00 N ATOM 0 H GLN A 83 0.086 11.682 -7.235 1.00 0.00 H new ATOM 0 HA GLN A 83 0.926 11.296 -4.423 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.135 13.567 -5.988 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.006 13.285 -4.494 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.598 14.562 -3.559 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.562 13.098 -3.595 1.00 0.00 H new ATOM 0 HE21 GLN A 83 3.537 14.160 -3.773 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.025 15.011 -5.242 1.00 0.00 H new ATOM 1007 N VAL A 84 -1.327 10.482 -3.621 1.00 0.00 N ATOM 1008 CA VAL A 84 -2.534 9.752 -3.254 1.00 0.00 C ATOM 1009 C VAL A 84 -3.170 10.312 -1.991 1.00 0.00 C ATOM 1010 O VAL A 84 -2.522 10.993 -1.196 1.00 0.00 O ATOM 1011 CB VAL A 84 -2.273 8.243 -3.025 1.00 0.00 C ATOM 1012 CG1 VAL A 84 -3.356 7.407 -3.677 1.00 0.00 C ATOM 1013 CG2 VAL A 84 -0.912 7.818 -3.538 1.00 0.00 C ATOM 0 H VAL A 84 -0.687 10.667 -2.848 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.209 9.875 -4.101 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.291 8.076 -1.948 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.153 6.350 -3.504 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.324 7.666 -3.247 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.371 7.603 -4.749 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.771 6.752 -3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.849 8.016 -4.608 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.136 8.380 -3.019 1.00 0.00 H new ATOM 1023 N ALA A 85 -4.441 9.984 -1.805 1.00 0.00 N ATOM 1024 CA ALA A 85 -5.186 10.407 -0.630 1.00 0.00 C ATOM 1025 C ALA A 85 -5.167 9.291 0.405 1.00 0.00 C ATOM 1026 O ALA A 85 -5.862 8.287 0.256 1.00 0.00 O ATOM 1027 CB ALA A 85 -6.617 10.766 -1.005 1.00 0.00 C ATOM 0 H ALA A 85 -4.981 9.420 -2.461 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.718 11.296 -0.208 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.159 11.080 -0.113 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.610 11.579 -1.731 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.108 9.896 -1.440 1.00 0.00 H new ATOM 1033 N PHE A 86 -4.348 9.452 1.435 1.00 0.00 N ATOM 1034 CA PHE A 86 -4.226 8.429 2.462 1.00 0.00 C ATOM 1035 C PHE A 86 -5.354 8.508 3.487 1.00 0.00 C ATOM 1036 O PHE A 86 -5.380 9.394 4.341 1.00 0.00 O ATOM 1037 CB PHE A 86 -2.866 8.529 3.158 1.00 0.00 C ATOM 1038 CG PHE A 86 -2.252 7.185 3.414 1.00 0.00 C ATOM 1039 CD1 PHE A 86 -2.078 6.276 2.377 1.00 0.00 C ATOM 1040 CD2 PHE A 86 -1.885 6.813 4.698 1.00 0.00 C ATOM 1041 CE1 PHE A 86 -1.548 5.023 2.624 1.00 0.00 C ATOM 1042 CE2 PHE A 86 -1.364 5.559 4.948 1.00 0.00 C ATOM 1043 CZ PHE A 86 -1.197 4.664 3.910 1.00 0.00 C ATOM 0 H PHE A 86 -3.763 10.275 1.581 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.303 7.461 1.966 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.190 9.123 2.543 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -2.984 9.057 4.104 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.359 6.550 1.371 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -2.008 7.512 5.512 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.409 4.326 1.811 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -1.088 5.279 5.954 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.791 3.682 4.104 1.00 0.00 H new ATOM 1053 N ASP A 87 -6.277 7.553 3.393 1.00 0.00 N ATOM 1054 CA ASP A 87 -7.413 7.470 4.303 1.00 0.00 C ATOM 1055 C ASP A 87 -7.743 6.005 4.595 1.00 0.00 C ATOM 1056 O ASP A 87 -8.743 5.471 4.115 1.00 0.00 O ATOM 1057 CB ASP A 87 -8.631 8.182 3.705 1.00 0.00 C ATOM 1058 CG ASP A 87 -9.249 9.175 4.669 1.00 0.00 C ATOM 1059 OD1 ASP A 87 -9.964 8.738 5.595 1.00 0.00 O ATOM 1060 OD2 ASP A 87 -9.019 10.391 4.497 1.00 0.00 O ATOM 0 H ASP A 87 -6.257 6.818 2.686 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.150 7.965 5.238 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.334 8.701 2.793 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.379 7.441 3.421 1.00 0.00 H new ATOM 1065 N ARG A 88 -6.880 5.362 5.378 1.00 0.00 N ATOM 1066 CA ARG A 88 -7.055 3.951 5.735 1.00 0.00 C ATOM 1067 C ARG A 88 -8.449 3.701 6.300 1.00 0.00 C ATOM 1068 O ARG A 88 -9.097 2.706 5.975 1.00 0.00 O ATOM 1069 CB ARG A 88 -6.006 3.500 6.761 1.00 0.00 C ATOM 1070 CG ARG A 88 -5.478 4.584 7.641 1.00 0.00 C ATOM 1071 CD ARG A 88 -4.104 4.964 7.202 1.00 0.00 C ATOM 1072 NE ARG A 88 -4.116 5.479 5.837 1.00 0.00 N ATOM 1073 CZ ARG A 88 -3.997 4.709 4.756 1.00 0.00 C ATOM 1074 NH1 ARG A 88 -3.577 3.458 4.869 1.00 0.00 N ATOM 1075 NH2 ARG A 88 -4.235 5.207 3.555 1.00 0.00 N ATOM 0 H ARG A 88 -6.049 5.795 5.780 1.00 0.00 H new ATOM 0 HA ARG A 88 -6.927 3.371 4.821 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.444 2.724 7.389 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.171 3.046 6.228 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -6.136 5.452 7.600 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -5.459 4.247 8.677 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.699 5.719 7.876 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.446 4.097 7.262 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.221 6.485 5.703 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.343 3.080 5.787 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.488 2.873 4.038 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.511 6.184 3.453 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.143 4.615 2.730 1.00 0.00 H new ATOM 1089 N GLY A 89 -8.893 4.612 7.160 1.00 0.00 N ATOM 1090 CA GLY A 89 -10.198 4.485 7.781 1.00 0.00 C ATOM 1091 C GLY A 89 -10.088 4.320 9.287 1.00 0.00 C ATOM 1092 O GLY A 89 -9.590 5.213 9.971 1.00 0.00 O ATOM 0 H GLY A 89 -8.368 5.441 7.439 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.797 5.367 7.554 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.721 3.627 7.358 1.00 0.00 H new ATOM 1096 N PRO A 90 -10.538 3.179 9.839 1.00 0.00 N ATOM 1097 CA PRO A 90 -10.471 2.916 11.271 1.00 0.00 C ATOM 1098 C PRO A 90 -9.171 2.220 11.667 1.00 0.00 C ATOM 1099 O PRO A 90 -9.159 1.363 12.552 1.00 0.00 O ATOM 1100 CB PRO A 90 -11.660 1.986 11.479 1.00 0.00 C ATOM 1101 CG PRO A 90 -11.744 1.194 10.214 1.00 0.00 C ATOM 1102 CD PRO A 90 -11.146 2.048 9.116 1.00 0.00 C ATOM 0 HA PRO A 90 -10.497 3.824 11.873 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -11.511 1.339 12.343 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.577 2.548 11.657 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -11.200 0.254 10.311 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -12.779 0.941 9.985 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -10.403 1.496 8.540 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -11.907 2.386 8.413 1.00 0.00 H new ATOM 1110 N TYR A 91 -8.081 2.585 10.997 1.00 0.00 N ATOM 1111 CA TYR A 91 -6.778 1.987 11.267 1.00 0.00 C ATOM 1112 C TYR A 91 -5.918 2.894 12.136 1.00 0.00 C ATOM 1113 O TYR A 91 -6.177 4.092 12.256 1.00 0.00 O ATOM 1114 CB TYR A 91 -6.049 1.697 9.951 1.00 0.00 C ATOM 1115 CG TYR A 91 -6.488 0.414 9.280 1.00 0.00 C ATOM 1116 CD1 TYR A 91 -7.764 -0.101 9.481 1.00 0.00 C ATOM 1117 CD2 TYR A 91 -5.625 -0.282 8.445 1.00 0.00 C ATOM 1118 CE1 TYR A 91 -8.164 -1.272 8.870 1.00 0.00 C ATOM 1119 CE2 TYR A 91 -6.019 -1.454 7.830 1.00 0.00 C ATOM 1120 CZ TYR A 91 -7.289 -1.944 8.046 1.00 0.00 C ATOM 1121 OH TYR A 91 -7.683 -3.113 7.437 1.00 0.00 O ATOM 0 H TYR A 91 -8.075 3.293 10.263 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.946 1.055 11.807 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.212 2.529 9.265 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.977 1.647 10.143 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -8.453 0.424 10.126 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.629 0.099 8.273 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -9.158 -1.659 9.037 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -5.336 -1.984 7.183 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.205 -2.904 6.635 1.00 0.00 H new ATOM 1131 N LYS A 92 -4.886 2.310 12.727 1.00 0.00 N ATOM 1132 CA LYS A 92 -3.965 3.050 13.576 1.00 0.00 C ATOM 1133 C LYS A 92 -2.532 2.820 13.115 1.00 0.00 C ATOM 1134 O LYS A 92 -2.206 1.754 12.591 1.00 0.00 O ATOM 1135 CB LYS A 92 -4.122 2.622 15.037 1.00 0.00 C ATOM 1136 CG LYS A 92 -3.961 3.765 16.027 1.00 0.00 C ATOM 1137 CD LYS A 92 -3.163 3.338 17.248 1.00 0.00 C ATOM 1138 CE LYS A 92 -1.712 3.781 17.148 1.00 0.00 C ATOM 1139 NZ LYS A 92 -1.166 4.196 18.469 1.00 0.00 N ATOM 0 H LYS A 92 -4.665 1.319 12.633 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.197 4.112 13.499 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -5.106 2.172 15.171 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.385 1.851 15.262 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.461 4.602 15.539 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.944 4.118 16.339 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.613 3.763 18.145 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.207 2.254 17.352 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.110 2.966 16.746 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.633 4.611 16.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.175 4.491 18.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -1.724 4.991 18.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.217 3.397 19.132 1.00 0.00 H new ATOM 1153 N TYR A 93 -1.680 3.821 13.305 1.00 0.00 N ATOM 1154 CA TYR A 93 -0.281 3.720 12.900 1.00 0.00 C ATOM 1155 C TYR A 93 0.319 2.390 13.354 1.00 0.00 C ATOM 1156 O TYR A 93 0.631 2.207 14.530 1.00 0.00 O ATOM 1157 CB TYR A 93 0.518 4.891 13.483 1.00 0.00 C ATOM 1158 CG TYR A 93 1.696 5.326 12.634 1.00 0.00 C ATOM 1159 CD1 TYR A 93 1.652 5.252 11.244 1.00 0.00 C ATOM 1160 CD2 TYR A 93 2.853 5.816 13.226 1.00 0.00 C ATOM 1161 CE1 TYR A 93 2.727 5.653 10.474 1.00 0.00 C ATOM 1162 CE2 TYR A 93 3.932 6.220 12.461 1.00 0.00 C ATOM 1163 CZ TYR A 93 3.864 6.136 11.087 1.00 0.00 C ATOM 1164 OH TYR A 93 4.937 6.538 10.323 1.00 0.00 O ATOM 0 H TYR A 93 -1.932 4.711 13.736 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.230 3.762 11.812 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -0.151 5.741 13.618 1.00 0.00 H new ATOM 0 HB3 TYR A 93 0.881 4.611 14.472 1.00 0.00 H new ATOM 0 HD1 TYR A 93 0.763 4.875 10.760 1.00 0.00 H new ATOM 0 HD2 TYR A 93 2.911 5.883 14.302 1.00 0.00 H new ATOM 0 HE1 TYR A 93 2.677 5.588 9.397 1.00 0.00 H new ATOM 0 HE2 TYR A 93 4.824 6.599 12.938 1.00 0.00 H new ATOM 0 HH TYR A 93 5.656 6.853 10.909 1.00 0.00 H new ATOM 1174 N HIS A 94 0.467 1.459 12.411 1.00 0.00 N ATOM 1175 CA HIS A 94 1.019 0.141 12.715 1.00 0.00 C ATOM 1176 C HIS A 94 2.256 -0.148 11.870 1.00 0.00 C ATOM 1177 O HIS A 94 2.521 0.539 10.884 1.00 0.00 O ATOM 1178 CB HIS A 94 -0.035 -0.942 12.480 1.00 0.00 C ATOM 1179 CG HIS A 94 0.243 -2.216 13.216 1.00 0.00 C ATOM 1180 ND1 HIS A 94 0.267 -3.451 12.601 1.00 0.00 N ATOM 1181 CD2 HIS A 94 0.511 -2.444 14.524 1.00 0.00 C ATOM 1182 CE1 HIS A 94 0.536 -4.382 13.499 1.00 0.00 C ATOM 1183 NE2 HIS A 94 0.689 -3.797 14.672 1.00 0.00 N ATOM 0 H HIS A 94 0.213 1.594 11.433 1.00 0.00 H new ATOM 0 HA HIS A 94 1.313 0.136 13.765 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.010 -0.561 12.784 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.095 -1.154 11.412 1.00 0.00 H new ATOM 0 HD2 HIS A 94 0.573 -1.700 15.305 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.617 -5.442 13.306 1.00 0.00 H new ATOM 0 HE2 HIS A 94 0.905 -4.274 15.548 1.00 0.00 H new ATOM 1192 N GLY A 95 3.011 -1.169 12.269 1.00 0.00 N ATOM 1193 CA GLY A 95 4.219 -1.538 11.547 1.00 0.00 C ATOM 1194 C GLY A 95 4.019 -1.587 10.043 1.00 0.00 C ATOM 1195 O GLY A 95 4.867 -1.119 9.283 1.00 0.00 O ATOM 0 H GLY A 95 2.807 -1.750 13.082 1.00 0.00 H new ATOM 0 HA2 GLY A 95 5.008 -0.823 11.780 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.560 -2.513 11.895 1.00 0.00 H new ATOM 1199 N ARG A 96 2.895 -2.151 9.614 1.00 0.00 N ATOM 1200 CA ARG A 96 2.587 -2.255 8.192 1.00 0.00 C ATOM 1201 C ARG A 96 2.625 -0.881 7.530 1.00 0.00 C ATOM 1202 O ARG A 96 3.533 -0.580 6.756 1.00 0.00 O ATOM 1203 CB ARG A 96 1.212 -2.892 7.996 1.00 0.00 C ATOM 1204 CG ARG A 96 1.106 -4.298 8.562 1.00 0.00 C ATOM 1205 CD ARG A 96 2.036 -5.261 7.842 1.00 0.00 C ATOM 1206 NE ARG A 96 1.650 -6.654 8.052 1.00 0.00 N ATOM 1207 CZ ARG A 96 1.798 -7.300 9.206 1.00 0.00 C ATOM 1208 NH1 ARG A 96 2.322 -6.681 10.258 1.00 0.00 N ATOM 1209 NH2 ARG A 96 1.421 -8.567 9.311 1.00 0.00 N ATOM 0 H ARG A 96 2.183 -2.543 10.230 1.00 0.00 H new ATOM 0 HA ARG A 96 3.342 -2.886 7.723 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.458 -2.262 8.468 1.00 0.00 H new ATOM 0 HB3 ARG A 96 0.982 -2.920 6.931 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.348 -4.283 9.625 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.078 -4.650 8.475 1.00 0.00 H new ATOM 0 HD2 ARG A 96 2.031 -5.040 6.775 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.057 -5.111 8.194 1.00 0.00 H new ATOM 0 HE ARG A 96 1.243 -7.162 7.267 1.00 0.00 H new ATOM 0 HH11 ARG A 96 2.613 -5.706 10.183 1.00 0.00 H new ATOM 0 HH12 ARG A 96 2.433 -7.180 11.140 1.00 0.00 H new ATOM 0 HH21 ARG A 96 1.017 -9.047 8.507 1.00 0.00 H new ATOM 0 HH22 ARG A 96 1.535 -9.061 10.196 1.00 0.00 H new ATOM 1223 N VAL A 97 1.631 -0.051 7.846 1.00 0.00 N ATOM 1224 CA VAL A 97 1.535 1.301 7.298 1.00 0.00 C ATOM 1225 C VAL A 97 2.897 1.963 7.200 1.00 0.00 C ATOM 1226 O VAL A 97 3.211 2.602 6.208 1.00 0.00 O ATOM 1227 CB VAL A 97 0.630 2.195 8.162 1.00 0.00 C ATOM 1228 CG1 VAL A 97 0.394 3.536 7.487 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -0.678 1.490 8.449 1.00 0.00 C ATOM 0 H VAL A 97 0.874 -0.295 8.485 1.00 0.00 H new ATOM 0 HA VAL A 97 1.107 1.195 6.301 1.00 0.00 H new ATOM 0 HB VAL A 97 1.131 2.387 9.111 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.249 4.152 8.116 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.348 4.041 7.338 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.087 3.378 6.522 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.311 2.132 9.061 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.186 1.269 7.510 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.481 0.560 8.982 1.00 0.00 H new ATOM 1239 N LYS A 98 3.700 1.815 8.237 1.00 0.00 N ATOM 1240 CA LYS A 98 5.023 2.413 8.249 1.00 0.00 C ATOM 1241 C LYS A 98 5.842 1.959 7.047 1.00 0.00 C ATOM 1242 O LYS A 98 6.047 2.714 6.098 1.00 0.00 O ATOM 1243 CB LYS A 98 5.752 2.069 9.542 1.00 0.00 C ATOM 1244 CG LYS A 98 6.047 3.289 10.390 1.00 0.00 C ATOM 1245 CD LYS A 98 5.547 3.125 11.812 1.00 0.00 C ATOM 1246 CE LYS A 98 4.049 2.877 11.863 1.00 0.00 C ATOM 1247 NZ LYS A 98 3.681 2.030 13.029 1.00 0.00 N ATOM 0 H LYS A 98 3.462 1.289 9.078 1.00 0.00 H new ATOM 0 HA LYS A 98 4.902 3.495 8.189 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.149 1.368 10.119 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.687 1.563 9.303 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.122 3.471 10.402 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.580 4.165 9.940 1.00 0.00 H new ATOM 0 HD2 LYS A 98 6.069 2.294 12.286 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.786 4.020 12.386 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.522 3.829 11.922 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.727 2.391 10.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.647 1.920 13.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.125 1.095 12.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.013 2.482 13.905 1.00 0.00 H new ATOM 1261 N ALA A 99 6.317 0.722 7.111 1.00 0.00 N ATOM 1262 CA ALA A 99 7.131 0.154 6.046 1.00 0.00 C ATOM 1263 C ALA A 99 6.396 0.135 4.710 1.00 0.00 C ATOM 1264 O ALA A 99 6.989 0.409 3.672 1.00 0.00 O ATOM 1265 CB ALA A 99 7.574 -1.252 6.422 1.00 0.00 C ATOM 0 H ALA A 99 6.151 0.090 7.894 1.00 0.00 H new ATOM 0 HA ALA A 99 8.007 0.792 5.926 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.182 -1.669 5.619 1.00 0.00 H new ATOM 0 HB2 ALA A 99 8.160 -1.215 7.340 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.697 -1.881 6.576 1.00 0.00 H new ATOM 1271 N LEU A 100 5.107 -0.187 4.734 1.00 0.00 N ATOM 1272 CA LEU A 100 4.314 -0.247 3.522 1.00 0.00 C ATOM 1273 C LEU A 100 4.188 1.120 2.885 1.00 0.00 C ATOM 1274 O LEU A 100 4.349 1.280 1.676 1.00 0.00 O ATOM 1275 CB LEU A 100 2.919 -0.788 3.840 1.00 0.00 C ATOM 1276 CG LEU A 100 1.876 -0.527 2.757 1.00 0.00 C ATOM 1277 CD1 LEU A 100 0.890 -1.678 2.668 1.00 0.00 C ATOM 1278 CD2 LEU A 100 1.143 0.788 3.006 1.00 0.00 C ATOM 0 H LEU A 100 4.592 -0.410 5.586 1.00 0.00 H new ATOM 0 HA LEU A 100 4.818 -0.912 2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.990 -1.863 4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.574 -0.342 4.773 1.00 0.00 H new ATOM 0 HG LEU A 100 2.399 -0.448 1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.156 -1.469 1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.424 -2.597 2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.381 -1.795 3.624 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.406 0.948 2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.640 0.747 3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.859 1.610 3.005 1.00 0.00 H new ATOM 1290 N ALA A 101 3.864 2.095 3.710 1.00 0.00 N ATOM 1291 CA ALA A 101 3.674 3.453 3.235 1.00 0.00 C ATOM 1292 C ALA A 101 4.943 4.010 2.612 1.00 0.00 C ATOM 1293 O ALA A 101 4.876 4.696 1.594 1.00 0.00 O ATOM 1294 CB ALA A 101 3.157 4.340 4.348 1.00 0.00 C ATOM 0 H ALA A 101 3.726 1.974 4.713 1.00 0.00 H new ATOM 0 HA ALA A 101 2.920 3.433 2.448 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.021 5.354 3.972 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.202 3.955 4.706 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.875 4.350 5.168 1.00 0.00 H new ATOM 1300 N GLU A 102 6.108 3.694 3.183 1.00 0.00 N ATOM 1301 CA GLU A 102 7.351 4.171 2.589 1.00 0.00 C ATOM 1302 C GLU A 102 7.522 3.490 1.247 1.00 0.00 C ATOM 1303 O GLU A 102 7.905 4.118 0.279 1.00 0.00 O ATOM 1304 CB GLU A 102 8.597 3.935 3.460 1.00 0.00 C ATOM 1305 CG GLU A 102 8.348 3.167 4.754 1.00 0.00 C ATOM 1306 CD GLU A 102 9.627 2.631 5.368 1.00 0.00 C ATOM 1307 OE1 GLU A 102 10.662 2.616 4.668 1.00 0.00 O ATOM 1308 OE2 GLU A 102 9.595 2.227 6.549 1.00 0.00 O ATOM 0 H GLU A 102 6.213 3.130 4.026 1.00 0.00 H new ATOM 0 HA GLU A 102 7.269 5.253 2.487 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.336 3.392 2.870 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.036 4.901 3.708 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.851 3.821 5.471 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.669 2.338 4.555 1.00 0.00 H new ATOM 1315 N GLY A 103 7.180 2.205 1.184 1.00 0.00 N ATOM 1316 CA GLY A 103 7.258 1.486 -0.074 1.00 0.00 C ATOM 1317 C GLY A 103 6.515 2.231 -1.145 1.00 0.00 C ATOM 1318 O GLY A 103 7.068 2.619 -2.170 1.00 0.00 O ATOM 0 H GLY A 103 6.853 1.653 1.977 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.301 1.360 -0.365 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.837 0.487 0.043 1.00 0.00 H new ATOM 1322 N ALA A 104 5.228 2.417 -0.875 1.00 0.00 N ATOM 1323 CA ALA A 104 4.339 3.111 -1.778 1.00 0.00 C ATOM 1324 C ALA A 104 4.806 4.543 -1.992 1.00 0.00 C ATOM 1325 O ALA A 104 4.587 5.127 -3.049 1.00 0.00 O ATOM 1326 CB ALA A 104 2.917 3.075 -1.243 1.00 0.00 C ATOM 0 H ALA A 104 4.778 2.088 -0.021 1.00 0.00 H new ATOM 0 HA ALA A 104 4.354 2.606 -2.744 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.256 3.601 -1.932 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.591 2.039 -1.146 1.00 0.00 H new ATOM 0 HB3 ALA A 104 2.883 3.559 -0.267 1.00 0.00 H new ATOM 1332 N ARG A 105 5.475 5.104 -0.987 1.00 0.00 N ATOM 1333 CA ARG A 105 5.989 6.468 -1.080 1.00 0.00 C ATOM 1334 C ARG A 105 7.394 6.481 -1.671 1.00 0.00 C ATOM 1335 O ARG A 105 7.795 7.438 -2.334 1.00 0.00 O ATOM 1336 CB ARG A 105 6.003 7.138 0.295 1.00 0.00 C ATOM 1337 CG ARG A 105 4.728 7.897 0.617 1.00 0.00 C ATOM 1338 CD ARG A 105 4.895 9.387 0.370 1.00 0.00 C ATOM 1339 NE ARG A 105 5.734 10.021 1.384 1.00 0.00 N ATOM 1340 CZ ARG A 105 5.296 10.393 2.584 1.00 0.00 C ATOM 1341 NH1 ARG A 105 4.030 10.192 2.929 1.00 0.00 N ATOM 1342 NH2 ARG A 105 6.127 10.968 3.444 1.00 0.00 N ATOM 0 H ARG A 105 5.673 4.637 -0.102 1.00 0.00 H new ATOM 0 HA ARG A 105 5.325 7.027 -1.739 1.00 0.00 H new ATOM 0 HB2 ARG A 105 6.165 6.377 1.058 1.00 0.00 H new ATOM 0 HB3 ARG A 105 6.847 7.825 0.346 1.00 0.00 H new ATOM 0 HG2 ARG A 105 3.910 7.514 0.006 1.00 0.00 H new ATOM 0 HG3 ARG A 105 4.454 7.727 1.658 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.336 9.544 -0.614 1.00 0.00 H new ATOM 0 HD3 ARG A 105 3.915 9.865 0.360 1.00 0.00 H new ATOM 0 HE ARG A 105 6.715 10.189 1.158 1.00 0.00 H new ATOM 0 HH11 ARG A 105 3.387 9.750 2.273 1.00 0.00 H new ATOM 0 HH12 ARG A 105 3.701 10.480 3.851 1.00 0.00 H new ATOM 0 HH21 ARG A 105 7.101 11.125 3.185 1.00 0.00 H new ATOM 0 HH22 ARG A 105 5.792 11.253 4.364 1.00 0.00 H new ATOM 1356 N GLU A 106 8.132 5.411 -1.420 1.00 0.00 N ATOM 1357 CA GLU A 106 9.490 5.273 -1.912 1.00 0.00 C ATOM 1358 C GLU A 106 9.444 4.863 -3.378 1.00 0.00 C ATOM 1359 O GLU A 106 10.261 5.296 -4.191 1.00 0.00 O ATOM 1360 CB GLU A 106 10.243 4.221 -1.074 1.00 0.00 C ATOM 1361 CG GLU A 106 10.172 2.805 -1.628 1.00 0.00 C ATOM 1362 CD GLU A 106 11.133 1.861 -0.935 1.00 0.00 C ATOM 1363 OE1 GLU A 106 11.926 2.332 -0.091 1.00 0.00 O ATOM 1364 OE2 GLU A 106 11.097 0.649 -1.237 1.00 0.00 O ATOM 0 H GLU A 106 7.805 4.616 -0.870 1.00 0.00 H new ATOM 0 HA GLU A 106 10.019 6.222 -1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.290 4.516 -0.999 1.00 0.00 H new ATOM 0 HB3 GLU A 106 9.838 4.223 -0.062 1.00 0.00 H new ATOM 0 HG2 GLU A 106 9.155 2.427 -1.520 1.00 0.00 H new ATOM 0 HG3 GLU A 106 10.393 2.824 -2.695 1.00 0.00 H new ATOM 1371 N GLY A 107 8.463 4.022 -3.698 1.00 0.00 N ATOM 1372 CA GLY A 107 8.291 3.551 -5.054 1.00 0.00 C ATOM 1373 C GLY A 107 7.885 4.677 -5.996 1.00 0.00 C ATOM 1374 O GLY A 107 8.462 4.816 -7.074 1.00 0.00 O ATOM 0 H GLY A 107 7.781 3.658 -3.033 1.00 0.00 H new ATOM 0 HA2 GLY A 107 9.221 3.102 -5.404 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.532 2.769 -5.074 1.00 0.00 H new ATOM 1378 N GLY A 108 6.908 5.500 -5.589 1.00 0.00 N ATOM 1379 CA GLY A 108 6.488 6.610 -6.437 1.00 0.00 C ATOM 1380 C GLY A 108 5.327 7.432 -5.885 1.00 0.00 C ATOM 1381 O GLY A 108 5.227 8.626 -6.166 1.00 0.00 O ATOM 0 H GLY A 108 6.410 5.418 -4.703 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.340 7.271 -6.595 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.205 6.216 -7.413 1.00 0.00 H new ATOM 1385 N LEU A 109 4.431 6.796 -5.137 1.00 0.00 N ATOM 1386 CA LEU A 109 3.260 7.477 -4.594 1.00 0.00 C ATOM 1387 C LEU A 109 3.600 8.451 -3.477 1.00 0.00 C ATOM 1388 O LEU A 109 4.517 8.236 -2.694 1.00 0.00 O ATOM 1389 CB LEU A 109 2.258 6.450 -4.079 1.00 0.00 C ATOM 1390 CG LEU A 109 1.541 5.681 -5.172 1.00 0.00 C ATOM 1391 CD1 LEU A 109 2.545 4.967 -6.049 1.00 0.00 C ATOM 1392 CD2 LEU A 109 0.540 4.705 -4.576 1.00 0.00 C ATOM 0 H LEU A 109 4.493 5.808 -4.892 1.00 0.00 H new ATOM 0 HA LEU A 109 2.831 8.059 -5.410 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.779 5.742 -3.434 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.517 6.959 -3.462 1.00 0.00 H new ATOM 0 HG LEU A 109 0.986 6.386 -5.791 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.020 4.418 -6.831 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.214 5.697 -6.505 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.126 4.271 -5.444 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.037 4.164 -5.378 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.061 3.997 -3.932 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.198 5.253 -3.990 1.00 0.00 H new ATOM 1404 N GLU A 110 2.824 9.521 -3.415 1.00 0.00 N ATOM 1405 CA GLU A 110 2.993 10.544 -2.393 1.00 0.00 C ATOM 1406 C GLU A 110 1.666 10.817 -1.691 1.00 0.00 C ATOM 1407 O GLU A 110 0.874 11.646 -2.137 1.00 0.00 O ATOM 1408 CB GLU A 110 3.545 11.828 -3.005 1.00 0.00 C ATOM 1409 CG GLU A 110 5.064 11.892 -3.006 1.00 0.00 C ATOM 1410 CD GLU A 110 5.656 11.717 -4.391 1.00 0.00 C ATOM 1411 OE1 GLU A 110 5.110 10.909 -5.172 1.00 0.00 O ATOM 1412 OE2 GLU A 110 6.664 12.388 -4.695 1.00 0.00 O ATOM 0 H GLU A 110 2.062 9.705 -4.068 1.00 0.00 H new ATOM 0 HA GLU A 110 3.708 10.180 -1.656 1.00 0.00 H new ATOM 0 HB2 GLU A 110 3.184 11.918 -4.030 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.153 12.682 -2.453 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.383 12.851 -2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.457 11.118 -2.347 1.00 0.00 H new ATOM 1419 N PHE A 111 1.424 10.103 -0.600 1.00 0.00 N ATOM 1420 CA PHE A 111 0.186 10.254 0.158 1.00 0.00 C ATOM 1421 C PHE A 111 0.468 10.732 1.579 1.00 0.00 C ATOM 1422 O PHE A 111 1.349 10.140 2.237 1.00 0.00 O ATOM 1423 CB PHE A 111 -0.562 8.920 0.190 1.00 0.00 C ATOM 1424 CG PHE A 111 0.355 7.740 0.293 1.00 0.00 C ATOM 1425 CD1 PHE A 111 1.017 7.273 -0.824 1.00 0.00 C ATOM 1426 CD2 PHE A 111 0.570 7.114 1.508 1.00 0.00 C ATOM 1427 CE1 PHE A 111 1.879 6.202 -0.736 1.00 0.00 C ATOM 1428 CE2 PHE A 111 1.428 6.037 1.604 1.00 0.00 C ATOM 1429 CZ PHE A 111 2.085 5.581 0.479 1.00 0.00 C ATOM 1430 OXT PHE A 111 -0.194 11.694 2.021 1.00 0.00 O ATOM 0 H PHE A 111 2.069 9.412 -0.218 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.432 11.006 -0.334 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.249 8.915 1.036 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.166 8.826 -0.712 1.00 0.00 H new ATOM 0 HD1 PHE A 111 0.858 7.753 -1.778 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.061 7.472 2.391 1.00 0.00 H new ATOM 0 HE1 PHE A 111 2.393 5.849 -1.617 1.00 0.00 H new ATOM 0 HE2 PHE A 111 1.585 5.553 2.556 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.759 4.740 0.549 1.00 0.00 H new TER 1440 PHE A 111