USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 497 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 4 THR OG1 : rot 100:sc= 1.21 USER MOD Single : A 7 SER OG : rot 180:sc= -0.143 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -30:sc= -1.3 USER MOD Single : A 19 SER OG : rot 180:sc= -0.234 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 25 LYS NZ :NH3+ -170:sc= -0.0139 (180deg=-0.128) USER MOD Single : A 28 SER OG : rot -87:sc= 1.2 USER MOD Single : A 31 MET CE :methyl 144:sc= -0.18 (180deg=-2.36!) USER MOD Single : A 35 SER OG : rot 151:sc= 1.16 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.159 X(o=-0.16,f=-0.00052) USER MOD Single : A 53 THR OG1 : rot -52:sc= -0.233 USER MOD Single : A 57 SER OG : rot 75:sc= 1.24 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -168:sc= -2.01! (180deg=-2.22!) USER MOD ----------------------------------------------------------------- ATOM 33 N PHE A 3 0.652 10.524 0.873 1.00 0.64 N ATOM 34 CA PHE A 3 -0.125 9.406 1.394 1.00 0.59 C ATOM 35 C PHE A 3 -0.582 9.683 2.824 1.00 0.50 C ATOM 36 O PHE A 3 0.230 9.717 3.748 1.00 0.55 O ATOM 37 CB PHE A 3 0.701 8.119 1.349 1.00 0.80 C ATOM 38 CG PHE A 3 1.125 7.724 -0.037 1.00 0.75 C ATOM 39 CD1 PHE A 3 2.321 8.179 -0.568 1.00 0.80 C ATOM 40 CD2 PHE A 3 0.327 6.895 -0.810 1.00 1.47 C ATOM 41 CE1 PHE A 3 2.713 7.816 -1.842 1.00 1.39 C ATOM 42 CE2 PHE A 3 0.713 6.528 -2.085 1.00 2.25 C ATOM 43 CZ PHE A 3 1.908 6.991 -2.602 1.00 2.18 C ATOM 0 HA PHE A 3 -1.008 9.284 0.766 1.00 0.59 H new ATOM 0 HB2 PHE A 3 1.588 8.245 1.969 1.00 0.80 H new ATOM 0 HB3 PHE A 3 0.119 7.308 1.787 1.00 0.80 H new ATOM 0 HD1 PHE A 3 2.955 8.825 0.021 1.00 0.80 H new ATOM 0 HD2 PHE A 3 -0.608 6.531 -0.411 1.00 1.47 H new ATOM 0 HE1 PHE A 3 3.648 8.177 -2.243 1.00 1.39 H new ATOM 0 HE2 PHE A 3 0.082 5.881 -2.676 1.00 2.25 H new ATOM 0 HZ PHE A 3 2.212 6.708 -3.599 1.00 2.18 H new ATOM 52 N THR A 4 -1.885 9.882 2.995 1.00 0.53 N ATOM 53 CA THR A 4 -2.448 10.157 4.311 1.00 0.49 C ATOM 54 C THR A 4 -3.259 8.973 4.830 1.00 0.45 C ATOM 55 O THR A 4 -3.839 8.219 4.048 1.00 0.45 O ATOM 56 CB THR A 4 -3.345 11.407 4.290 1.00 0.57 C ATOM 57 OG1 THR A 4 -4.299 11.307 3.224 1.00 0.61 O ATOM 58 CG2 THR A 4 -2.510 12.666 4.119 1.00 0.66 C ATOM 0 H THR A 4 -2.570 9.858 2.239 1.00 0.53 H new ATOM 0 HA THR A 4 -1.605 10.333 4.979 1.00 0.49 H new ATOM 0 HB THR A 4 -3.873 11.468 5.242 1.00 0.57 H new ATOM 0 HG1 THR A 4 -5.162 11.012 3.584 1.00 0.61 H new ATOM 0 HG21 THR A 4 -3.164 13.538 4.107 1.00 0.66 H new ATOM 0 HG22 THR A 4 -1.807 12.752 4.948 1.00 0.66 H new ATOM 0 HG23 THR A 4 -1.959 12.613 3.180 1.00 0.66 H new ATOM 66 N PRO A 5 -3.310 8.797 6.162 1.00 0.47 N ATOM 67 CA PRO A 5 -4.055 7.701 6.784 1.00 0.51 C ATOM 68 C PRO A 5 -5.564 7.897 6.687 1.00 0.51 C ATOM 69 O PRO A 5 -6.193 8.427 7.602 1.00 0.65 O ATOM 70 CB PRO A 5 -3.600 7.750 8.245 1.00 0.62 C ATOM 71 CG PRO A 5 -3.205 9.168 8.470 1.00 0.58 C ATOM 72 CD PRO A 5 -2.642 9.653 7.163 1.00 0.53 C ATOM 0 HA PRO A 5 -3.862 6.746 6.295 1.00 0.51 H new ATOM 0 HB2 PRO A 5 -4.402 7.450 8.920 1.00 0.62 H new ATOM 0 HB3 PRO A 5 -2.764 7.073 8.423 1.00 0.62 H new ATOM 0 HG2 PRO A 5 -4.063 9.769 8.772 1.00 0.58 H new ATOM 0 HG3 PRO A 5 -2.465 9.245 9.266 1.00 0.58 H new ATOM 0 HD2 PRO A 5 -2.860 10.708 6.999 1.00 0.53 H new ATOM 0 HD3 PRO A 5 -1.558 9.542 7.127 1.00 0.53 H new ATOM 77 N ASP A 6 -6.137 7.468 5.566 1.00 0.74 N ATOM 78 CA ASP A 6 -7.574 7.591 5.342 1.00 0.84 C ATOM 79 C ASP A 6 -7.954 7.076 3.958 1.00 0.71 C ATOM 80 O ASP A 6 -8.985 6.423 3.791 1.00 0.67 O ATOM 81 CB ASP A 6 -8.013 9.051 5.489 1.00 1.07 C ATOM 82 CG ASP A 6 -7.282 9.974 4.534 1.00 2.06 C ATOM 83 OD1 ASP A 6 -6.201 10.477 4.904 1.00 2.69 O ATOM 84 OD2 ASP A 6 -7.790 10.191 3.414 1.00 2.51 O ATOM 0 H ASP A 6 -5.627 7.032 4.798 1.00 0.74 H new ATOM 0 HA ASP A 6 -8.085 6.986 6.091 1.00 0.84 H new ATOM 0 HB2 ASP A 6 -9.086 9.124 5.311 1.00 1.07 H new ATOM 0 HB3 ASP A 6 -7.837 9.379 6.513 1.00 1.07 H new ATOM 88 N SER A 7 -7.120 7.375 2.970 1.00 0.77 N ATOM 89 CA SER A 7 -7.371 6.942 1.601 1.00 0.72 C ATOM 90 C SER A 7 -6.852 5.525 1.372 1.00 0.54 C ATOM 91 O SER A 7 -6.062 5.008 2.162 1.00 0.67 O ATOM 92 CB SER A 7 -6.716 7.907 0.612 1.00 0.96 C ATOM 93 OG SER A 7 -6.935 7.493 -0.725 1.00 1.89 O ATOM 0 H SER A 7 -6.264 7.916 3.091 1.00 0.77 H new ATOM 0 HA SER A 7 -8.449 6.942 1.438 1.00 0.72 H new ATOM 0 HB2 SER A 7 -7.119 8.910 0.756 1.00 0.96 H new ATOM 0 HB3 SER A 7 -5.645 7.962 0.808 1.00 0.96 H new ATOM 0 HG SER A 7 -6.508 8.127 -1.338 1.00 1.89 H new ATOM 98 N ALA A 8 -7.300 4.904 0.286 1.00 0.47 N ATOM 99 CA ALA A 8 -6.883 3.544 -0.045 1.00 0.35 C ATOM 100 C ALA A 8 -5.855 3.540 -1.172 1.00 0.31 C ATOM 101 O ALA A 8 -5.670 4.544 -1.862 1.00 0.38 O ATOM 102 CB ALA A 8 -8.093 2.703 -0.428 1.00 0.44 C ATOM 0 H ALA A 8 -7.951 5.319 -0.380 1.00 0.47 H new ATOM 0 HA ALA A 8 -6.413 3.109 0.837 1.00 0.35 H new ATOM 0 HB1 ALA A 8 -7.770 1.691 -0.673 1.00 0.44 H new ATOM 0 HB2 ALA A 8 -8.792 2.669 0.408 1.00 0.44 H new ATOM 0 HB3 ALA A 8 -8.585 3.146 -1.294 1.00 0.44 H new ATOM 108 N TRP A 9 -5.187 2.404 -1.353 1.00 0.30 N ATOM 109 CA TRP A 9 -4.176 2.264 -2.397 1.00 0.30 C ATOM 110 C TRP A 9 -4.014 0.802 -2.803 1.00 0.32 C ATOM 111 O TRP A 9 -4.614 -0.089 -2.201 1.00 0.39 O ATOM 112 CB TRP A 9 -2.836 2.822 -1.916 1.00 0.34 C ATOM 113 CG TRP A 9 -2.924 4.234 -1.422 1.00 0.35 C ATOM 114 CD1 TRP A 9 -3.247 4.640 -0.159 1.00 0.40 C ATOM 115 CD2 TRP A 9 -2.685 5.426 -2.179 1.00 0.42 C ATOM 116 NE1 TRP A 9 -3.223 6.011 -0.086 1.00 0.41 N ATOM 117 CE2 TRP A 9 -2.881 6.518 -1.311 1.00 0.42 C ATOM 118 CE3 TRP A 9 -2.324 5.679 -3.506 1.00 0.56 C ATOM 119 CZ2 TRP A 9 -2.730 7.838 -1.728 1.00 0.52 C ATOM 120 CZ3 TRP A 9 -2.173 6.989 -3.918 1.00 0.69 C ATOM 121 CH2 TRP A 9 -2.375 8.054 -3.032 1.00 0.66 C ATOM 0 H TRP A 9 -5.328 1.566 -0.789 1.00 0.30 H new ATOM 0 HA TRP A 9 -4.507 2.831 -3.267 1.00 0.30 H new ATOM 0 HB2 TRP A 9 -2.452 2.188 -1.116 1.00 0.34 H new ATOM 0 HB3 TRP A 9 -2.116 2.775 -2.733 1.00 0.34 H new ATOM 0 HD1 TRP A 9 -3.486 3.980 0.662 1.00 0.40 H new ATOM 0 HE1 TRP A 9 -3.427 6.563 0.747 1.00 0.41 H new ATOM 0 HE3 TRP A 9 -2.166 4.864 -4.197 1.00 0.56 H new ATOM 0 HZ2 TRP A 9 -2.887 8.661 -1.047 1.00 0.52 H new ATOM 0 HZ3 TRP A 9 -1.894 7.195 -4.941 1.00 0.69 H new ATOM 0 HH2 TRP A 9 -2.248 9.067 -3.385 1.00 0.66 H new ATOM 131 N LYS A 10 -3.200 0.560 -3.827 1.00 0.34 N ATOM 132 CA LYS A 10 -2.960 -0.795 -4.308 1.00 0.37 C ATOM 133 C LYS A 10 -1.465 -1.093 -4.384 1.00 0.34 C ATOM 134 O LYS A 10 -0.685 -0.280 -4.881 1.00 0.34 O ATOM 135 CB LYS A 10 -3.605 -0.995 -5.681 1.00 0.43 C ATOM 136 CG LYS A 10 -5.117 -0.835 -5.669 1.00 1.01 C ATOM 137 CD LYS A 10 -5.700 -0.935 -7.069 1.00 1.03 C ATOM 138 CE LYS A 10 -7.217 -0.830 -7.046 1.00 1.28 C ATOM 139 NZ LYS A 10 -7.797 -0.868 -8.417 1.00 2.04 N ATOM 0 H LYS A 10 -2.696 1.285 -4.338 1.00 0.34 H new ATOM 0 HA LYS A 10 -3.412 -1.489 -3.599 1.00 0.37 H new ATOM 0 HB2 LYS A 10 -3.177 -0.279 -6.383 1.00 0.43 H new ATOM 0 HB3 LYS A 10 -3.356 -1.990 -6.049 1.00 0.43 H new ATOM 0 HG2 LYS A 10 -5.560 -1.602 -5.034 1.00 1.01 H new ATOM 0 HG3 LYS A 10 -5.378 0.129 -5.233 1.00 1.01 H new ATOM 0 HD2 LYS A 10 -5.288 -0.143 -7.694 1.00 1.03 H new ATOM 0 HD3 LYS A 10 -5.406 -1.882 -7.521 1.00 1.03 H new ATOM 0 HE2 LYS A 10 -7.629 -1.648 -6.455 1.00 1.28 H new ATOM 0 HE3 LYS A 10 -7.509 0.098 -6.554 1.00 1.28 H new ATOM 0 HZ1 LYS A 10 -8.833 -0.794 -8.358 1.00 2.04 H new ATOM 0 HZ2 LYS A 10 -7.424 -0.073 -8.974 1.00 2.04 H new ATOM 0 HZ3 LYS A 10 -7.540 -1.764 -8.878 1.00 2.04 H new ATOM 149 N ILE A 11 -1.072 -2.264 -3.889 1.00 0.36 N ATOM 150 CA ILE A 11 0.327 -2.668 -3.895 1.00 0.36 C ATOM 151 C ILE A 11 0.782 -3.072 -5.293 1.00 0.32 C ATOM 152 O ILE A 11 0.168 -3.925 -5.936 1.00 0.38 O ATOM 153 CB ILE A 11 0.577 -3.840 -2.927 1.00 0.41 C ATOM 154 CG1 ILE A 11 0.130 -3.463 -1.512 1.00 0.48 C ATOM 155 CG2 ILE A 11 2.047 -4.237 -2.934 1.00 0.43 C ATOM 156 CD1 ILE A 11 0.358 -4.558 -0.493 1.00 0.56 C ATOM 0 H ILE A 11 -1.706 -2.949 -3.478 1.00 0.36 H new ATOM 0 HA ILE A 11 0.904 -1.804 -3.567 1.00 0.36 H new ATOM 0 HB ILE A 11 -0.009 -4.696 -3.261 1.00 0.41 H new ATOM 0 HG12 ILE A 11 0.666 -2.568 -1.197 1.00 0.48 H new ATOM 0 HG13 ILE A 11 -0.930 -3.210 -1.530 1.00 0.48 H new ATOM 0 HG21 ILE A 11 2.203 -5.066 -2.244 1.00 0.43 H new ATOM 0 HG22 ILE A 11 2.337 -4.542 -3.940 1.00 0.43 H new ATOM 0 HG23 ILE A 11 2.655 -3.387 -2.623 1.00 0.43 H new ATOM 0 HD11 ILE A 11 0.018 -4.220 0.486 1.00 0.56 H new ATOM 0 HD12 ILE A 11 -0.200 -5.448 -0.784 1.00 0.56 H new ATOM 0 HD13 ILE A 11 1.421 -4.796 -0.446 1.00 0.56 H new ATOM 167 N THR A 12 1.863 -2.449 -5.753 1.00 0.28 N ATOM 168 CA THR A 12 2.415 -2.735 -7.070 1.00 0.27 C ATOM 169 C THR A 12 3.939 -2.762 -7.018 1.00 0.27 C ATOM 170 O THR A 12 4.616 -2.145 -7.839 1.00 0.30 O ATOM 171 CB THR A 12 1.957 -1.688 -8.105 1.00 0.30 C ATOM 172 OG1 THR A 12 0.543 -1.486 -8.004 1.00 0.91 O ATOM 173 CG2 THR A 12 2.306 -2.131 -9.520 1.00 0.97 C ATOM 0 H THR A 12 2.375 -1.740 -5.229 1.00 0.28 H new ATOM 0 HA THR A 12 2.046 -3.714 -7.375 1.00 0.27 H new ATOM 0 HB THR A 12 2.477 -0.754 -7.894 1.00 0.30 H new ATOM 0 HG1 THR A 12 0.260 -0.819 -8.663 1.00 0.91 H new ATOM 0 HG21 THR A 12 1.972 -1.375 -10.231 1.00 0.97 H new ATOM 0 HG22 THR A 12 3.385 -2.258 -9.606 1.00 0.97 H new ATOM 0 HG23 THR A 12 1.811 -3.077 -9.738 1.00 0.97 H new ATOM 181 N GLY A 13 4.473 -3.482 -6.036 1.00 0.29 N ATOM 182 CA GLY A 13 5.914 -3.582 -5.884 1.00 0.33 C ATOM 183 C GLY A 13 6.617 -3.971 -7.169 1.00 0.37 C ATOM 184 O GLY A 13 6.779 -5.156 -7.464 1.00 0.45 O ATOM 0 H GLY A 13 3.933 -3.999 -5.342 1.00 0.29 H new ATOM 0 HA2 GLY A 13 6.305 -2.625 -5.537 1.00 0.33 H new ATOM 0 HA3 GLY A 13 6.143 -4.318 -5.113 1.00 0.33 H new ATOM 188 N PHE A 14 7.034 -2.972 -7.938 1.00 0.34 N ATOM 189 CA PHE A 14 7.729 -3.210 -9.198 1.00 0.41 C ATOM 190 C PHE A 14 8.752 -2.111 -9.468 1.00 0.39 C ATOM 191 O PHE A 14 8.406 -1.041 -9.971 1.00 0.43 O ATOM 192 CB PHE A 14 6.729 -3.291 -10.353 1.00 0.50 C ATOM 193 CG PHE A 14 7.376 -3.485 -11.693 1.00 0.60 C ATOM 194 CD1 PHE A 14 7.757 -2.396 -12.459 1.00 0.69 C ATOM 195 CD2 PHE A 14 7.601 -4.760 -12.190 1.00 0.70 C ATOM 196 CE1 PHE A 14 8.355 -2.573 -13.693 1.00 0.79 C ATOM 197 CE2 PHE A 14 8.197 -4.943 -13.422 1.00 0.81 C ATOM 198 CZ PHE A 14 8.573 -3.849 -14.176 1.00 0.81 C ATOM 0 H PHE A 14 6.903 -1.986 -7.710 1.00 0.34 H new ATOM 0 HA PHE A 14 8.255 -4.161 -9.120 1.00 0.41 H new ATOM 0 HB2 PHE A 14 6.039 -4.115 -10.169 1.00 0.50 H new ATOM 0 HB3 PHE A 14 6.135 -2.377 -10.374 1.00 0.50 H new ATOM 0 HD1 PHE A 14 7.585 -1.396 -12.088 1.00 0.69 H new ATOM 0 HD2 PHE A 14 7.307 -5.620 -11.607 1.00 0.70 H new ATOM 0 HE1 PHE A 14 8.651 -1.715 -14.278 1.00 0.79 H new ATOM 0 HE2 PHE A 14 8.369 -5.942 -13.796 1.00 0.81 H new ATOM 0 HZ PHE A 14 9.036 -3.990 -15.141 1.00 0.81 H new ATOM 207 N SER A 15 10.008 -2.376 -9.124 1.00 0.40 N ATOM 208 CA SER A 15 11.075 -1.404 -9.332 1.00 0.41 C ATOM 209 C SER A 15 11.959 -1.813 -10.505 1.00 0.43 C ATOM 210 O SER A 15 11.685 -2.799 -11.189 1.00 0.48 O ATOM 211 CB SER A 15 11.924 -1.269 -8.067 1.00 0.39 C ATOM 212 OG SER A 15 11.113 -1.035 -6.930 1.00 0.76 O ATOM 0 H SER A 15 10.311 -3.253 -8.701 1.00 0.40 H new ATOM 0 HA SER A 15 10.617 -0.442 -9.560 1.00 0.41 H new ATOM 0 HB2 SER A 15 12.509 -2.177 -7.919 1.00 0.39 H new ATOM 0 HB3 SER A 15 12.633 -0.449 -8.187 1.00 0.39 H new ATOM 0 HG SER A 15 10.302 -0.556 -7.200 1.00 0.76 H new ATOM 217 N ARG A 16 13.019 -1.045 -10.734 1.00 0.57 N ATOM 218 CA ARG A 16 13.946 -1.327 -11.823 1.00 0.61 C ATOM 219 C ARG A 16 15.021 -2.318 -11.385 1.00 0.59 C ATOM 220 O ARG A 16 15.642 -2.980 -12.217 1.00 0.63 O ATOM 221 CB ARG A 16 14.604 -0.035 -12.313 1.00 0.69 C ATOM 222 CG ARG A 16 13.621 0.991 -12.856 1.00 1.14 C ATOM 223 CD ARG A 16 12.790 1.615 -11.746 1.00 1.37 C ATOM 224 NE ARG A 16 12.102 2.823 -12.196 1.00 2.19 N ATOM 225 CZ ARG A 16 11.263 3.517 -11.435 1.00 2.67 C ATOM 226 NH1 ARG A 16 11.001 3.118 -10.198 1.00 2.41 N ATOM 227 NH2 ARG A 16 10.682 4.610 -11.912 1.00 3.58 N ATOM 0 H ARG A 16 13.257 -0.223 -10.180 1.00 0.57 H new ATOM 0 HA ARG A 16 13.376 -1.771 -12.639 1.00 0.61 H new ATOM 0 HB2 ARG A 16 15.162 0.411 -11.490 1.00 0.69 H new ATOM 0 HB3 ARG A 16 15.326 -0.280 -13.092 1.00 0.69 H new ATOM 0 HG2 ARG A 16 14.166 1.772 -13.386 1.00 1.14 H new ATOM 0 HG3 ARG A 16 12.961 0.515 -13.581 1.00 1.14 H new ATOM 0 HD2 ARG A 16 12.057 0.891 -11.390 1.00 1.37 H new ATOM 0 HD3 ARG A 16 13.435 1.857 -10.902 1.00 1.37 H new ATOM 0 HE ARG A 16 12.275 3.151 -13.146 1.00 2.19 H new ATOM 0 HH11 ARG A 16 11.444 2.277 -9.829 1.00 2.41 H new ATOM 0 HH12 ARG A 16 10.356 3.652 -9.615 1.00 2.41 H new ATOM 0 HH21 ARG A 16 10.879 4.918 -12.864 1.00 3.58 H new ATOM 0 HH22 ARG A 16 10.038 5.142 -11.327 1.00 3.58 H new ATOM 238 N ASP A 17 15.239 -2.416 -10.077 1.00 0.58 N ATOM 239 CA ASP A 17 16.246 -3.325 -9.537 1.00 0.63 C ATOM 240 C ASP A 17 15.824 -3.869 -8.175 1.00 0.57 C ATOM 241 O ASP A 17 16.667 -4.209 -7.347 1.00 0.62 O ATOM 242 CB ASP A 17 17.590 -2.605 -9.415 1.00 0.77 C ATOM 243 CG ASP A 17 17.511 -1.375 -8.531 1.00 1.61 C ATOM 244 OD1 ASP A 17 17.223 -0.281 -9.062 1.00 2.48 O ATOM 245 OD2 ASP A 17 17.735 -1.506 -7.309 1.00 1.86 O ATOM 0 H ASP A 17 14.734 -1.879 -9.372 1.00 0.58 H new ATOM 0 HA ASP A 17 16.346 -4.165 -10.224 1.00 0.63 H new ATOM 0 HB2 ASP A 17 18.332 -3.293 -9.009 1.00 0.77 H new ATOM 0 HB3 ASP A 17 17.934 -2.314 -10.407 1.00 0.77 H new ATOM 249 N ILE A 18 14.514 -3.957 -7.953 1.00 0.51 N ATOM 250 CA ILE A 18 13.983 -4.460 -6.688 1.00 0.50 C ATOM 251 C ILE A 18 14.698 -5.737 -6.253 1.00 0.50 C ATOM 252 O ILE A 18 14.722 -6.727 -6.985 1.00 0.57 O ATOM 253 CB ILE A 18 12.472 -4.745 -6.785 1.00 0.48 C ATOM 254 CG1 ILE A 18 11.934 -5.226 -5.437 1.00 0.52 C ATOM 255 CG2 ILE A 18 12.195 -5.773 -7.870 1.00 0.47 C ATOM 256 CD1 ILE A 18 10.435 -5.426 -5.424 1.00 0.56 C ATOM 0 H ILE A 18 13.802 -3.687 -8.631 1.00 0.51 H new ATOM 0 HA ILE A 18 14.155 -3.680 -5.946 1.00 0.50 H new ATOM 0 HB ILE A 18 11.959 -3.820 -7.050 1.00 0.48 H new ATOM 0 HG12 ILE A 18 12.420 -6.165 -5.175 1.00 0.52 H new ATOM 0 HG13 ILE A 18 12.203 -4.502 -4.668 1.00 0.52 H new ATOM 0 HG21 ILE A 18 11.123 -5.963 -7.926 1.00 0.47 H new ATOM 0 HG22 ILE A 18 12.547 -5.393 -8.829 1.00 0.47 H new ATOM 0 HG23 ILE A 18 12.716 -6.701 -7.634 1.00 0.47 H new ATOM 0 HD11 ILE A 18 10.122 -5.768 -4.437 1.00 0.56 H new ATOM 0 HD12 ILE A 18 9.940 -4.483 -5.655 1.00 0.56 H new ATOM 0 HD13 ILE A 18 10.161 -6.172 -6.170 1.00 0.56 H new ATOM 267 N SER A 19 15.278 -5.705 -5.058 1.00 0.57 N ATOM 268 CA SER A 19 15.996 -6.858 -4.524 1.00 0.59 C ATOM 269 C SER A 19 15.026 -7.957 -4.104 1.00 0.52 C ATOM 270 O SER A 19 13.863 -7.689 -3.803 1.00 0.50 O ATOM 271 CB SER A 19 16.858 -6.439 -3.333 1.00 0.70 C ATOM 272 OG SER A 19 16.062 -5.892 -2.294 1.00 1.50 O ATOM 0 H SER A 19 15.265 -4.893 -4.440 1.00 0.57 H new ATOM 0 HA SER A 19 16.641 -7.250 -5.311 1.00 0.59 H new ATOM 0 HB2 SER A 19 17.409 -7.301 -2.958 1.00 0.70 H new ATOM 0 HB3 SER A 19 17.596 -5.705 -3.655 1.00 0.70 H new ATOM 0 HG SER A 19 16.637 -5.633 -1.543 1.00 1.50 H new ATOM 277 N PRO A 20 15.496 -9.218 -4.079 1.00 0.54 N ATOM 278 CA PRO A 20 14.664 -10.361 -3.693 1.00 0.51 C ATOM 279 C PRO A 20 14.255 -10.308 -2.228 1.00 0.53 C ATOM 280 O PRO A 20 13.211 -10.833 -1.845 1.00 0.51 O ATOM 281 CB PRO A 20 15.568 -11.570 -3.953 1.00 0.55 C ATOM 282 CG PRO A 20 16.954 -11.030 -3.899 1.00 0.61 C ATOM 283 CD PRO A 20 16.872 -9.623 -4.420 1.00 0.61 C ATOM 0 HA PRO A 20 13.728 -10.388 -4.251 1.00 0.51 H new ATOM 0 HB2 PRO A 20 15.417 -12.345 -3.202 1.00 0.55 H new ATOM 0 HB3 PRO A 20 15.357 -12.020 -4.923 1.00 0.55 H new ATOM 0 HG2 PRO A 20 17.340 -11.047 -2.880 1.00 0.61 H new ATOM 0 HG3 PRO A 20 17.631 -11.632 -4.506 1.00 0.61 H new ATOM 0 HD2 PRO A 20 17.611 -8.975 -3.949 1.00 0.61 H new ATOM 0 HD3 PRO A 20 17.050 -9.580 -5.495 1.00 0.61 H new ATOM 288 N ALA A 21 15.081 -9.669 -1.407 1.00 0.58 N ATOM 289 CA ALA A 21 14.793 -9.546 0.017 1.00 0.64 C ATOM 290 C ALA A 21 13.378 -9.021 0.241 1.00 0.62 C ATOM 291 O ALA A 21 12.639 -9.535 1.078 1.00 0.65 O ATOM 292 CB ALA A 21 15.810 -8.633 0.685 1.00 0.71 C ATOM 0 H ALA A 21 15.953 -9.229 -1.702 1.00 0.58 H new ATOM 0 HA ALA A 21 14.864 -10.536 0.467 1.00 0.64 H new ATOM 0 HB1 ALA A 21 15.582 -8.551 1.748 1.00 0.71 H new ATOM 0 HB2 ALA A 21 16.810 -9.048 0.559 1.00 0.71 H new ATOM 0 HB3 ALA A 21 15.768 -7.645 0.227 1.00 0.71 H new ATOM 298 N TYR A 22 13.012 -7.992 -0.516 1.00 0.60 N ATOM 299 CA TYR A 22 11.686 -7.395 -0.408 1.00 0.61 C ATOM 300 C TYR A 22 10.676 -8.137 -1.279 1.00 0.54 C ATOM 301 O TYR A 22 9.517 -8.304 -0.897 1.00 0.57 O ATOM 302 CB TYR A 22 11.732 -5.920 -0.810 1.00 0.66 C ATOM 303 CG TYR A 22 12.601 -5.071 0.089 1.00 0.90 C ATOM 304 CD1 TYR A 22 12.131 -4.624 1.318 1.00 0.99 C ATOM 305 CD2 TYR A 22 13.891 -4.720 -0.290 1.00 1.28 C ATOM 306 CE1 TYR A 22 12.922 -3.847 2.142 1.00 1.34 C ATOM 307 CE2 TYR A 22 14.687 -3.943 0.531 1.00 1.72 C ATOM 308 CZ TYR A 22 14.198 -3.510 1.745 1.00 1.72 C ATOM 309 OH TYR A 22 14.988 -2.736 2.564 1.00 2.17 O ATOM 0 H TYR A 22 13.616 -7.554 -1.212 1.00 0.60 H new ATOM 0 HA TYR A 22 11.368 -7.474 0.632 1.00 0.61 H new ATOM 0 HB2 TYR A 22 12.099 -5.843 -1.833 1.00 0.66 H new ATOM 0 HB3 TYR A 22 10.718 -5.519 -0.804 1.00 0.66 H new ATOM 0 HD1 TYR A 22 11.132 -4.888 1.634 1.00 0.99 H new ATOM 0 HD2 TYR A 22 14.277 -5.059 -1.240 1.00 1.28 H new ATOM 0 HE1 TYR A 22 12.542 -3.505 3.093 1.00 1.34 H new ATOM 0 HE2 TYR A 22 15.687 -3.677 0.223 1.00 1.72 H new ATOM 0 HH TYR A 22 15.858 -2.591 2.137 1.00 2.17 H new ATOM 318 N ARG A 23 11.122 -8.578 -2.451 1.00 0.48 N ATOM 319 CA ARG A 23 10.252 -9.293 -3.379 1.00 0.44 C ATOM 320 C ARG A 23 9.909 -10.687 -2.858 1.00 0.45 C ATOM 321 O ARG A 23 8.742 -11.002 -2.620 1.00 0.45 O ATOM 322 CB ARG A 23 10.924 -9.407 -4.749 1.00 0.45 C ATOM 323 CG ARG A 23 10.075 -10.125 -5.785 1.00 0.54 C ATOM 324 CD ARG A 23 8.807 -9.349 -6.097 1.00 0.53 C ATOM 325 NE ARG A 23 7.980 -10.026 -7.092 1.00 0.70 N ATOM 326 CZ ARG A 23 7.056 -9.412 -7.822 1.00 1.08 C ATOM 327 NH1 ARG A 23 6.837 -8.113 -7.663 1.00 1.57 N ATOM 328 NH2 ARG A 23 6.349 -10.095 -8.711 1.00 1.47 N ATOM 0 H ARG A 23 12.079 -8.453 -2.781 1.00 0.48 H new ATOM 0 HA ARG A 23 9.326 -8.725 -3.472 1.00 0.44 H new ATOM 0 HB2 ARG A 23 11.159 -8.407 -5.114 1.00 0.45 H new ATOM 0 HB3 ARG A 23 11.871 -9.936 -4.637 1.00 0.45 H new ATOM 0 HG2 ARG A 23 10.653 -10.263 -6.699 1.00 0.54 H new ATOM 0 HG3 ARG A 23 9.815 -11.118 -5.419 1.00 0.54 H new ATOM 0 HD2 ARG A 23 8.232 -9.211 -5.181 1.00 0.53 H new ATOM 0 HD3 ARG A 23 9.070 -8.356 -6.460 1.00 0.53 H new ATOM 0 HE ARG A 23 8.120 -11.026 -7.234 1.00 0.70 H new ATOM 0 HH11 ARG A 23 7.379 -7.584 -6.979 1.00 1.57 H new ATOM 0 HH12 ARG A 23 6.127 -7.643 -8.225 1.00 1.57 H new ATOM 0 HH21 ARG A 23 6.514 -11.094 -8.835 1.00 1.47 H new ATOM 0 HH22 ARG A 23 5.640 -9.622 -9.271 1.00 1.47 H new ATOM 339 N GLN A 24 10.933 -11.514 -2.679 1.00 0.49 N ATOM 340 CA GLN A 24 10.747 -12.875 -2.193 1.00 0.55 C ATOM 341 C GLN A 24 10.045 -12.895 -0.835 1.00 0.58 C ATOM 342 O GLN A 24 9.502 -13.921 -0.426 1.00 0.66 O ATOM 343 CB GLN A 24 12.099 -13.585 -2.087 1.00 0.69 C ATOM 344 CG GLN A 24 11.992 -15.040 -1.654 1.00 1.52 C ATOM 345 CD GLN A 24 13.346 -15.703 -1.501 1.00 2.03 C ATOM 346 OE1 GLN A 24 14.304 -15.348 -2.188 1.00 2.61 O ATOM 347 NE2 GLN A 24 13.432 -16.672 -0.599 1.00 2.69 N ATOM 0 H GLN A 24 11.904 -11.264 -2.864 1.00 0.49 H new ATOM 0 HA GLN A 24 10.114 -13.399 -2.909 1.00 0.55 H new ATOM 0 HB2 GLN A 24 12.601 -13.538 -3.053 1.00 0.69 H new ATOM 0 HB3 GLN A 24 12.727 -13.048 -1.376 1.00 0.69 H new ATOM 0 HG2 GLN A 24 11.455 -15.095 -0.707 1.00 1.52 H new ATOM 0 HG3 GLN A 24 11.402 -15.591 -2.387 1.00 1.52 H new ATOM 0 HE21 GLN A 24 12.612 -16.934 -0.052 1.00 2.69 H new ATOM 0 HE22 GLN A 24 14.318 -17.155 -0.453 1.00 2.69 H new ATOM 354 N LYS A 25 10.059 -11.762 -0.141 1.00 0.59 N ATOM 355 CA LYS A 25 9.429 -11.657 1.165 1.00 0.68 C ATOM 356 C LYS A 25 7.909 -11.581 1.039 1.00 0.61 C ATOM 357 O LYS A 25 7.187 -12.405 1.601 1.00 0.71 O ATOM 358 CB LYS A 25 9.961 -10.428 1.900 1.00 0.79 C ATOM 359 CG LYS A 25 9.221 -10.120 3.187 1.00 0.99 C ATOM 360 CD LYS A 25 9.692 -8.812 3.800 1.00 1.43 C ATOM 361 CE LYS A 25 11.179 -8.846 4.112 1.00 2.05 C ATOM 362 NZ LYS A 25 11.519 -9.914 5.092 1.00 2.59 N ATOM 0 H LYS A 25 10.502 -10.902 -0.465 1.00 0.59 H new ATOM 0 HA LYS A 25 9.674 -12.552 1.737 1.00 0.68 H new ATOM 0 HB2 LYS A 25 11.017 -10.579 2.125 1.00 0.79 H new ATOM 0 HB3 LYS A 25 9.897 -9.564 1.239 1.00 0.79 H new ATOM 0 HG2 LYS A 25 8.151 -10.066 2.989 1.00 0.99 H new ATOM 0 HG3 LYS A 25 9.372 -10.932 3.898 1.00 0.99 H new ATOM 0 HD2 LYS A 25 9.482 -7.991 3.114 1.00 1.43 H new ATOM 0 HD3 LYS A 25 9.132 -8.615 4.714 1.00 1.43 H new ATOM 0 HE2 LYS A 25 11.739 -9.007 3.191 1.00 2.05 H new ATOM 0 HE3 LYS A 25 11.489 -7.879 4.508 1.00 2.05 H new ATOM 0 HZ1 LYS A 25 12.504 -9.797 5.406 1.00 2.59 H new ATOM 0 HZ2 LYS A 25 10.884 -9.847 5.913 1.00 2.59 H new ATOM 0 HZ3 LYS A 25 11.407 -10.845 4.643 1.00 2.59 H new ATOM 372 N LEU A 26 7.430 -10.586 0.300 1.00 0.55 N ATOM 373 CA LEU A 26 5.995 -10.400 0.108 1.00 0.57 C ATOM 374 C LEU A 26 5.327 -11.702 -0.324 1.00 0.60 C ATOM 375 O LEU A 26 4.162 -11.947 -0.010 1.00 0.68 O ATOM 376 CB LEU A 26 5.734 -9.307 -0.931 1.00 0.55 C ATOM 377 CG LEU A 26 6.280 -7.925 -0.564 1.00 0.69 C ATOM 378 CD1 LEU A 26 5.931 -6.909 -1.641 1.00 1.30 C ATOM 379 CD2 LEU A 26 5.735 -7.481 0.785 1.00 1.29 C ATOM 0 H LEU A 26 8.013 -9.897 -0.175 1.00 0.55 H new ATOM 0 HA LEU A 26 5.565 -10.094 1.062 1.00 0.57 H new ATOM 0 HB2 LEU A 26 6.174 -9.615 -1.879 1.00 0.55 H new ATOM 0 HB3 LEU A 26 4.659 -9.226 -1.090 1.00 0.55 H new ATOM 0 HG LEU A 26 7.366 -7.990 -0.494 1.00 0.69 H new ATOM 0 HD11 LEU A 26 6.327 -5.933 -1.362 1.00 1.30 H new ATOM 0 HD12 LEU A 26 6.367 -7.220 -2.590 1.00 1.30 H new ATOM 0 HD13 LEU A 26 4.848 -6.845 -1.743 1.00 1.30 H new ATOM 0 HD21 LEU A 26 6.133 -6.497 1.032 1.00 1.29 H new ATOM 0 HD22 LEU A 26 4.647 -7.432 0.740 1.00 1.29 H new ATOM 0 HD23 LEU A 26 6.034 -8.196 1.552 1.00 1.29 H new ATOM 390 N LEU A 27 6.071 -12.535 -1.044 1.00 0.59 N ATOM 391 CA LEU A 27 5.551 -13.811 -1.514 1.00 0.71 C ATOM 392 C LEU A 27 4.936 -14.607 -0.367 1.00 0.82 C ATOM 393 O LEU A 27 3.958 -15.331 -0.554 1.00 0.95 O ATOM 394 CB LEU A 27 6.662 -14.627 -2.177 1.00 0.75 C ATOM 395 CG LEU A 27 7.328 -13.960 -3.381 1.00 0.71 C ATOM 396 CD1 LEU A 27 8.385 -14.874 -3.981 1.00 0.82 C ATOM 397 CD2 LEU A 27 6.286 -13.585 -4.425 1.00 0.77 C ATOM 0 H LEU A 27 7.037 -12.348 -1.314 1.00 0.59 H new ATOM 0 HA LEU A 27 4.772 -13.606 -2.248 1.00 0.71 H new ATOM 0 HB2 LEU A 27 7.427 -14.842 -1.431 1.00 0.75 H new ATOM 0 HB3 LEU A 27 6.248 -15.584 -2.495 1.00 0.75 H new ATOM 0 HG LEU A 27 7.819 -13.047 -3.043 1.00 0.71 H new ATOM 0 HD11 LEU A 27 8.848 -14.382 -4.837 1.00 0.82 H new ATOM 0 HD12 LEU A 27 9.146 -15.091 -3.232 1.00 0.82 H new ATOM 0 HD13 LEU A 27 7.920 -15.805 -4.305 1.00 0.82 H new ATOM 0 HD21 LEU A 27 6.777 -13.111 -5.275 1.00 0.77 H new ATOM 0 HD22 LEU A 27 5.767 -14.483 -4.760 1.00 0.77 H new ATOM 0 HD23 LEU A 27 5.567 -12.892 -3.989 1.00 0.77 H new ATOM 408 N SER A 28 5.517 -14.468 0.821 1.00 0.84 N ATOM 409 CA SER A 28 5.029 -15.178 1.999 1.00 0.98 C ATOM 410 C SER A 28 3.607 -14.750 2.348 1.00 0.89 C ATOM 411 O SER A 28 2.832 -15.530 2.903 1.00 0.99 O ATOM 412 CB SER A 28 5.954 -14.928 3.191 1.00 1.15 C ATOM 413 OG SER A 28 6.020 -13.547 3.506 1.00 1.64 O ATOM 0 H SER A 28 6.326 -13.871 0.993 1.00 0.84 H new ATOM 0 HA SER A 28 5.021 -16.243 1.769 1.00 0.98 H new ATOM 0 HB2 SER A 28 5.595 -15.485 4.057 1.00 1.15 H new ATOM 0 HB3 SER A 28 6.953 -15.300 2.964 1.00 1.15 H new ATOM 0 HG SER A 28 6.724 -13.123 2.972 1.00 1.64 H new ATOM 418 N LEU A 29 3.269 -13.508 2.021 1.00 0.78 N ATOM 419 CA LEU A 29 1.940 -12.979 2.305 1.00 0.78 C ATOM 420 C LEU A 29 0.971 -13.296 1.170 1.00 0.74 C ATOM 421 O LEU A 29 -0.241 -13.349 1.373 1.00 0.82 O ATOM 422 CB LEU A 29 2.009 -11.467 2.526 1.00 0.86 C ATOM 423 CG LEU A 29 2.920 -11.023 3.672 1.00 1.06 C ATOM 424 CD1 LEU A 29 2.906 -9.508 3.803 1.00 1.64 C ATOM 425 CD2 LEU A 29 2.492 -11.677 4.976 1.00 1.42 C ATOM 0 H LEU A 29 3.896 -12.849 1.559 1.00 0.78 H new ATOM 0 HA LEU A 29 1.573 -13.457 3.213 1.00 0.78 H new ATOM 0 HB2 LEU A 29 2.352 -10.995 1.605 1.00 0.86 H new ATOM 0 HB3 LEU A 29 1.002 -11.096 2.718 1.00 0.86 H new ATOM 0 HG LEU A 29 3.939 -11.340 3.448 1.00 1.06 H new ATOM 0 HD11 LEU A 29 3.559 -9.208 4.623 1.00 1.64 H new ATOM 0 HD12 LEU A 29 3.259 -9.059 2.875 1.00 1.64 H new ATOM 0 HD13 LEU A 29 1.890 -9.170 4.006 1.00 1.64 H new ATOM 0 HD21 LEU A 29 3.151 -11.350 5.780 1.00 1.42 H new ATOM 0 HD22 LEU A 29 1.466 -11.390 5.208 1.00 1.42 H new ATOM 0 HD23 LEU A 29 2.552 -12.761 4.876 1.00 1.42 H new ATOM 436 N GLY A 30 1.516 -13.503 -0.026 1.00 0.68 N ATOM 437 CA GLY A 30 0.686 -13.814 -1.173 1.00 0.73 C ATOM 438 C GLY A 30 0.120 -12.571 -1.833 1.00 0.71 C ATOM 439 O GLY A 30 -0.876 -12.643 -2.554 1.00 0.82 O ATOM 0 H GLY A 30 2.517 -13.461 -0.219 1.00 0.68 H new ATOM 0 HA2 GLY A 30 1.273 -14.373 -1.902 1.00 0.73 H new ATOM 0 HA3 GLY A 30 -0.134 -14.461 -0.860 1.00 0.73 H new ATOM 443 N MET A 31 0.754 -11.431 -1.586 1.00 0.63 N ATOM 444 CA MET A 31 0.308 -10.169 -2.160 1.00 0.66 C ATOM 445 C MET A 31 1.187 -9.769 -3.341 1.00 0.56 C ATOM 446 O MET A 31 2.212 -9.110 -3.171 1.00 0.54 O ATOM 447 CB MET A 31 0.323 -9.070 -1.096 1.00 0.74 C ATOM 448 CG MET A 31 -0.626 -9.335 0.062 1.00 0.94 C ATOM 449 SD MET A 31 -2.357 -9.335 -0.445 1.00 1.95 S ATOM 450 CE MET A 31 -3.160 -9.784 1.092 1.00 2.55 C ATOM 0 H MET A 31 1.579 -11.355 -0.991 1.00 0.63 H new ATOM 0 HA MET A 31 -0.712 -10.299 -2.521 1.00 0.66 H new ATOM 0 HB2 MET A 31 1.336 -8.964 -0.708 1.00 0.74 H new ATOM 0 HB3 MET A 31 0.059 -8.120 -1.562 1.00 0.74 H new ATOM 0 HG2 MET A 31 -0.383 -10.297 0.513 1.00 0.94 H new ATOM 0 HG3 MET A 31 -0.476 -8.576 0.830 1.00 0.94 H new ATOM 0 HE1 MET A 31 -4.107 -9.251 1.177 1.00 2.55 H new ATOM 0 HE2 MET A 31 -3.345 -10.858 1.105 1.00 2.55 H new ATOM 0 HE3 MET A 31 -2.517 -9.516 1.930 1.00 2.55 H new ATOM 458 N LEU A 32 0.780 -10.182 -4.537 1.00 0.56 N ATOM 459 CA LEU A 32 1.524 -9.870 -5.753 1.00 0.49 C ATOM 460 C LEU A 32 1.072 -8.534 -6.337 1.00 0.44 C ATOM 461 O LEU A 32 -0.014 -8.048 -6.025 1.00 0.45 O ATOM 462 CB LEU A 32 1.337 -10.982 -6.787 1.00 0.52 C ATOM 463 CG LEU A 32 2.027 -12.306 -6.450 1.00 0.59 C ATOM 464 CD1 LEU A 32 1.483 -12.877 -5.150 1.00 0.69 C ATOM 465 CD2 LEU A 32 1.853 -13.301 -7.588 1.00 0.66 C ATOM 0 H LEU A 32 -0.063 -10.735 -4.691 1.00 0.56 H new ATOM 0 HA LEU A 32 2.581 -9.795 -5.497 1.00 0.49 H new ATOM 0 HB2 LEU A 32 0.270 -11.167 -6.909 1.00 0.52 H new ATOM 0 HB3 LEU A 32 1.711 -10.630 -7.748 1.00 0.52 H new ATOM 0 HG LEU A 32 3.092 -12.116 -6.319 1.00 0.59 H new ATOM 0 HD11 LEU A 32 1.986 -13.818 -4.927 1.00 0.69 H new ATOM 0 HD12 LEU A 32 1.661 -12.170 -4.340 1.00 0.69 H new ATOM 0 HD13 LEU A 32 0.412 -13.053 -5.250 1.00 0.69 H new ATOM 0 HD21 LEU A 32 2.350 -14.237 -7.332 1.00 0.66 H new ATOM 0 HD22 LEU A 32 0.791 -13.486 -7.750 1.00 0.66 H new ATOM 0 HD23 LEU A 32 2.293 -12.894 -8.498 1.00 0.66 H new ATOM 476 N PRO A 33 1.905 -7.922 -7.198 1.00 0.41 N ATOM 477 CA PRO A 33 1.585 -6.640 -7.825 1.00 0.40 C ATOM 478 C PRO A 33 0.136 -6.567 -8.292 1.00 0.38 C ATOM 479 O PRO A 33 -0.269 -7.276 -9.212 1.00 0.51 O ATOM 480 CB PRO A 33 2.540 -6.599 -9.015 1.00 0.43 C ATOM 481 CG PRO A 33 3.736 -7.357 -8.553 1.00 0.45 C ATOM 482 CD PRO A 33 3.224 -8.430 -7.626 1.00 0.43 C ATOM 0 HA PRO A 33 1.696 -5.801 -7.138 1.00 0.40 H new ATOM 0 HB2 PRO A 33 2.095 -7.058 -9.898 1.00 0.43 H new ATOM 0 HB3 PRO A 33 2.798 -5.574 -9.283 1.00 0.43 H new ATOM 0 HG2 PRO A 33 4.269 -7.794 -9.397 1.00 0.45 H new ATOM 0 HG3 PRO A 33 4.438 -6.701 -8.038 1.00 0.45 H new ATOM 0 HD2 PRO A 33 3.138 -9.390 -8.134 1.00 0.43 H new ATOM 0 HD3 PRO A 33 3.891 -8.577 -6.777 1.00 0.43 H new ATOM 487 N GLY A 34 -0.641 -5.703 -7.645 1.00 0.34 N ATOM 488 CA GLY A 34 -2.040 -5.552 -7.999 1.00 0.33 C ATOM 489 C GLY A 34 -2.967 -5.872 -6.844 1.00 0.31 C ATOM 490 O GLY A 34 -4.091 -6.330 -7.050 1.00 0.40 O ATOM 0 H GLY A 34 -0.326 -5.105 -6.881 1.00 0.34 H new ATOM 0 HA2 GLY A 34 -2.219 -4.530 -8.332 1.00 0.33 H new ATOM 0 HA3 GLY A 34 -2.272 -6.207 -8.839 1.00 0.33 H new ATOM 494 N SER A 35 -2.499 -5.627 -5.624 1.00 0.28 N ATOM 495 CA SER A 35 -3.296 -5.895 -4.431 1.00 0.28 C ATOM 496 C SER A 35 -3.891 -4.606 -3.874 1.00 0.28 C ATOM 497 O SER A 35 -3.592 -3.516 -4.357 1.00 0.37 O ATOM 498 CB SER A 35 -2.443 -6.582 -3.364 1.00 0.31 C ATOM 499 OG SER A 35 -3.205 -6.857 -2.201 1.00 0.62 O ATOM 0 H SER A 35 -1.573 -5.244 -5.435 1.00 0.28 H new ATOM 0 HA SER A 35 -4.114 -6.559 -4.712 1.00 0.28 H new ATOM 0 HB2 SER A 35 -2.034 -7.510 -3.763 1.00 0.31 H new ATOM 0 HB3 SER A 35 -1.596 -5.946 -3.106 1.00 0.31 H new ATOM 0 HG SER A 35 -2.841 -7.647 -1.751 1.00 0.62 H new ATOM 504 N SER A 36 -4.737 -4.742 -2.856 1.00 0.25 N ATOM 505 CA SER A 36 -5.374 -3.588 -2.230 1.00 0.25 C ATOM 506 C SER A 36 -4.993 -3.488 -0.756 1.00 0.23 C ATOM 507 O SER A 36 -4.933 -4.495 -0.050 1.00 0.28 O ATOM 508 CB SER A 36 -6.895 -3.683 -2.369 1.00 0.30 C ATOM 509 OG SER A 36 -7.534 -2.573 -1.760 1.00 1.30 O ATOM 0 H SER A 36 -4.997 -5.640 -2.448 1.00 0.25 H new ATOM 0 HA SER A 36 -5.023 -2.690 -2.739 1.00 0.25 H new ATOM 0 HB2 SER A 36 -7.165 -3.728 -3.424 1.00 0.30 H new ATOM 0 HB3 SER A 36 -7.248 -4.607 -1.910 1.00 0.30 H new ATOM 0 HG SER A 36 -8.505 -2.657 -1.864 1.00 1.30 H new ATOM 514 N PHE A 37 -4.735 -2.266 -0.296 1.00 0.22 N ATOM 515 CA PHE A 37 -4.356 -2.040 1.095 1.00 0.23 C ATOM 516 C PHE A 37 -4.742 -0.634 1.546 1.00 0.23 C ATOM 517 O PHE A 37 -4.950 0.257 0.723 1.00 0.33 O ATOM 518 CB PHE A 37 -2.848 -2.248 1.274 1.00 0.25 C ATOM 519 CG PHE A 37 -2.012 -1.146 0.683 1.00 0.26 C ATOM 520 CD1 PHE A 37 -1.798 -1.076 -0.683 1.00 0.32 C ATOM 521 CD2 PHE A 37 -1.448 -0.177 1.497 1.00 0.27 C ATOM 522 CE1 PHE A 37 -1.033 -0.060 -1.227 1.00 0.36 C ATOM 523 CE2 PHE A 37 -0.683 0.841 0.959 1.00 0.30 C ATOM 524 CZ PHE A 37 -0.475 0.899 -0.405 1.00 0.33 C ATOM 0 H PHE A 37 -4.781 -1.420 -0.864 1.00 0.22 H new ATOM 0 HA PHE A 37 -4.894 -2.760 1.712 1.00 0.23 H new ATOM 0 HB2 PHE A 37 -2.625 -2.331 2.338 1.00 0.25 H new ATOM 0 HB3 PHE A 37 -2.563 -3.194 0.814 1.00 0.25 H new ATOM 0 HD1 PHE A 37 -2.233 -1.823 -1.331 1.00 0.32 H new ATOM 0 HD2 PHE A 37 -1.608 -0.217 2.564 1.00 0.27 H new ATOM 0 HE1 PHE A 37 -0.872 -0.017 -2.294 1.00 0.36 H new ATOM 0 HE2 PHE A 37 -0.249 1.590 1.605 1.00 0.30 H new ATOM 0 HZ PHE A 37 0.123 1.693 -0.828 1.00 0.33 H new ATOM 533 N HIS A 38 -4.836 -0.442 2.859 1.00 0.21 N ATOM 534 CA HIS A 38 -5.189 0.860 3.417 1.00 0.24 C ATOM 535 C HIS A 38 -4.025 1.443 4.211 1.00 0.24 C ATOM 536 O HIS A 38 -3.113 0.723 4.616 1.00 0.40 O ATOM 537 CB HIS A 38 -6.423 0.738 4.312 1.00 0.28 C ATOM 538 CG HIS A 38 -7.638 0.247 3.591 1.00 1.17 C ATOM 539 ND1 HIS A 38 -7.997 -1.083 3.539 1.00 2.13 N ATOM 540 CD2 HIS A 38 -8.582 0.917 2.888 1.00 1.98 C ATOM 541 CE1 HIS A 38 -9.108 -1.210 2.835 1.00 2.94 C ATOM 542 NE2 HIS A 38 -9.483 -0.012 2.430 1.00 2.82 N ATOM 0 H HIS A 38 -4.673 -1.170 3.555 1.00 0.21 H new ATOM 0 HA HIS A 38 -5.415 1.533 2.590 1.00 0.24 H new ATOM 0 HB2 HIS A 38 -6.199 0.059 5.135 1.00 0.28 H new ATOM 0 HB3 HIS A 38 -6.640 1.711 4.752 1.00 0.28 H new ATOM 0 HD2 HIS A 38 -8.619 1.983 2.719 1.00 1.98 H new ATOM 0 HE1 HIS A 38 -9.622 -2.137 2.627 1.00 2.94 H new ATOM 0 HE2 HIS A 38 -10.309 0.191 1.867 1.00 2.82 H new ATOM 550 N VAL A 39 -4.063 2.754 4.428 1.00 0.27 N ATOM 551 CA VAL A 39 -3.010 3.438 5.169 1.00 0.27 C ATOM 552 C VAL A 39 -3.412 3.658 6.623 1.00 0.28 C ATOM 553 O VAL A 39 -4.529 4.089 6.909 1.00 0.40 O ATOM 554 CB VAL A 39 -2.675 4.801 4.532 1.00 0.39 C ATOM 555 CG1 VAL A 39 -1.562 5.496 5.301 1.00 1.28 C ATOM 556 CG2 VAL A 39 -2.297 4.626 3.070 1.00 0.88 C ATOM 0 H VAL A 39 -4.812 3.364 4.101 1.00 0.27 H new ATOM 0 HA VAL A 39 -2.129 2.797 5.132 1.00 0.27 H new ATOM 0 HB VAL A 39 -3.562 5.432 4.582 1.00 0.39 H new ATOM 0 HG11 VAL A 39 -1.342 6.456 4.834 1.00 1.28 H new ATOM 0 HG12 VAL A 39 -1.878 5.658 6.332 1.00 1.28 H new ATOM 0 HG13 VAL A 39 -0.668 4.873 5.289 1.00 1.28 H new ATOM 0 HG21 VAL A 39 -2.064 5.598 2.636 1.00 0.88 H new ATOM 0 HG22 VAL A 39 -1.425 3.976 2.995 1.00 0.88 H new ATOM 0 HG23 VAL A 39 -3.131 4.178 2.530 1.00 0.88 H new ATOM 566 N VAL A 40 -2.495 3.360 7.537 1.00 0.24 N ATOM 567 CA VAL A 40 -2.756 3.529 8.962 1.00 0.34 C ATOM 568 C VAL A 40 -2.243 4.879 9.458 1.00 0.37 C ATOM 569 O VAL A 40 -2.963 5.621 10.123 1.00 0.54 O ATOM 570 CB VAL A 40 -2.105 2.405 9.788 1.00 0.41 C ATOM 571 CG1 VAL A 40 -2.394 2.590 11.270 1.00 0.54 C ATOM 572 CG2 VAL A 40 -2.587 1.044 9.310 1.00 0.43 C ATOM 0 H VAL A 40 -1.566 3.001 7.317 1.00 0.24 H new ATOM 0 HA VAL A 40 -3.837 3.485 9.095 1.00 0.34 H new ATOM 0 HB VAL A 40 -1.026 2.455 9.645 1.00 0.41 H new ATOM 0 HG11 VAL A 40 -1.925 1.785 11.835 1.00 0.54 H new ATOM 0 HG12 VAL A 40 -1.994 3.548 11.602 1.00 0.54 H new ATOM 0 HG13 VAL A 40 -3.471 2.570 11.436 1.00 0.54 H new ATOM 0 HG21 VAL A 40 -2.116 0.262 9.905 1.00 0.43 H new ATOM 0 HG22 VAL A 40 -3.670 0.982 9.420 1.00 0.43 H new ATOM 0 HG23 VAL A 40 -2.321 0.912 8.261 1.00 0.43 H new ATOM 582 N ARG A 41 -0.993 5.189 9.126 1.00 0.27 N ATOM 583 CA ARG A 41 -0.385 6.451 9.535 1.00 0.31 C ATOM 584 C ARG A 41 0.826 6.776 8.667 1.00 0.31 C ATOM 585 O ARG A 41 1.628 5.898 8.350 1.00 0.40 O ATOM 586 CB ARG A 41 0.033 6.384 11.006 1.00 0.40 C ATOM 587 CG ARG A 41 1.115 5.355 11.284 1.00 0.47 C ATOM 588 CD ARG A 41 1.598 5.430 12.722 1.00 0.57 C ATOM 589 NE ARG A 41 0.513 5.224 13.676 1.00 1.37 N ATOM 590 CZ ARG A 41 0.624 5.449 14.981 1.00 1.62 C ATOM 591 NH1 ARG A 41 1.770 5.889 15.483 1.00 0.94 N ATOM 592 NH2 ARG A 41 -0.408 5.233 15.783 1.00 2.80 N ATOM 0 H ARG A 41 -0.382 4.585 8.576 1.00 0.27 H new ATOM 0 HA ARG A 41 -1.125 7.242 9.408 1.00 0.31 H new ATOM 0 HB2 ARG A 41 0.388 7.366 11.319 1.00 0.40 H new ATOM 0 HB3 ARG A 41 -0.842 6.152 11.614 1.00 0.40 H new ATOM 0 HG2 ARG A 41 0.730 4.356 11.080 1.00 0.47 H new ATOM 0 HG3 ARG A 41 1.955 5.517 10.608 1.00 0.47 H new ATOM 0 HD2 ARG A 41 2.371 4.678 12.884 1.00 0.57 H new ATOM 0 HD3 ARG A 41 2.057 6.403 12.900 1.00 0.57 H new ATOM 0 HE ARG A 41 -0.382 4.888 13.321 1.00 1.37 H new ATOM 0 HH11 ARG A 41 2.566 6.055 14.867 1.00 0.94 H new ATOM 0 HH12 ARG A 41 1.855 6.062 16.485 1.00 0.94 H new ATOM 0 HH21 ARG A 41 -1.290 4.893 15.399 1.00 2.80 H new ATOM 0 HH22 ARG A 41 -0.321 5.406 16.784 1.00 2.80 H new ATOM 603 N VAL A 42 0.956 8.042 8.286 1.00 0.33 N ATOM 604 CA VAL A 42 2.070 8.474 7.449 1.00 0.39 C ATOM 605 C VAL A 42 2.508 9.895 7.795 1.00 0.43 C ATOM 606 O VAL A 42 1.741 10.672 8.365 1.00 0.49 O ATOM 607 CB VAL A 42 1.702 8.411 5.956 1.00 0.52 C ATOM 608 CG1 VAL A 42 2.929 8.650 5.090 1.00 0.97 C ATOM 609 CG2 VAL A 42 1.057 7.075 5.623 1.00 1.20 C ATOM 0 H VAL A 42 0.306 8.785 8.542 1.00 0.33 H new ATOM 0 HA VAL A 42 2.895 7.789 7.645 1.00 0.39 H new ATOM 0 HB VAL A 42 0.981 9.201 5.745 1.00 0.52 H new ATOM 0 HG11 VAL A 42 2.647 8.601 4.038 1.00 0.97 H new ATOM 0 HG12 VAL A 42 3.343 9.634 5.309 1.00 0.97 H new ATOM 0 HG13 VAL A 42 3.677 7.886 5.301 1.00 0.97 H new ATOM 0 HG21 VAL A 42 0.803 7.048 4.563 1.00 1.20 H new ATOM 0 HG22 VAL A 42 1.754 6.268 5.850 1.00 1.20 H new ATOM 0 HG23 VAL A 42 0.151 6.950 6.216 1.00 1.20 H new ATOM 619 N ALA A 43 3.749 10.228 7.449 1.00 0.47 N ATOM 620 CA ALA A 43 4.293 11.554 7.715 1.00 0.55 C ATOM 621 C ALA A 43 4.786 12.213 6.429 1.00 0.69 C ATOM 622 O ALA A 43 5.260 11.534 5.519 1.00 0.81 O ATOM 623 CB ALA A 43 5.421 11.469 8.732 1.00 0.55 C ATOM 0 H ALA A 43 4.398 9.594 6.982 1.00 0.47 H new ATOM 0 HA ALA A 43 3.494 12.171 8.127 1.00 0.55 H new ATOM 0 HB1 ALA A 43 5.817 12.467 8.920 1.00 0.55 H new ATOM 0 HB2 ALA A 43 5.041 11.048 9.663 1.00 0.55 H new ATOM 0 HB3 ALA A 43 6.215 10.831 8.343 1.00 0.55 H new ATOM 629 N PRO A 44 4.680 13.551 6.339 1.00 0.83 N ATOM 630 CA PRO A 44 5.114 14.302 5.155 1.00 1.00 C ATOM 631 C PRO A 44 6.633 14.408 5.050 1.00 0.98 C ATOM 632 O PRO A 44 7.172 14.658 3.973 1.00 1.15 O ATOM 633 CB PRO A 44 4.499 15.684 5.377 1.00 1.14 C ATOM 634 CG PRO A 44 4.402 15.817 6.858 1.00 1.34 C ATOM 635 CD PRO A 44 4.121 14.435 7.381 1.00 1.00 C ATOM 0 HA PRO A 44 4.802 13.818 4.229 1.00 1.00 H new ATOM 0 HB2 PRO A 44 5.122 16.469 4.948 1.00 1.14 H new ATOM 0 HB3 PRO A 44 3.519 15.762 4.907 1.00 1.14 H new ATOM 0 HG2 PRO A 44 5.328 16.211 7.276 1.00 1.34 H new ATOM 0 HG3 PRO A 44 3.607 16.509 7.136 1.00 1.34 H new ATOM 0 HD2 PRO A 44 4.597 14.267 8.347 1.00 1.00 H new ATOM 0 HD3 PRO A 44 3.053 14.268 7.518 1.00 1.00 H new ATOM 640 N LEU A 45 7.317 14.216 6.172 1.00 0.85 N ATOM 641 CA LEU A 45 8.774 14.296 6.201 1.00 0.90 C ATOM 642 C LEU A 45 9.403 12.921 5.993 1.00 0.91 C ATOM 643 O LEU A 45 10.338 12.769 5.207 1.00 1.23 O ATOM 644 CB LEU A 45 9.245 14.890 7.529 1.00 0.90 C ATOM 645 CG LEU A 45 10.762 15.034 7.675 1.00 1.76 C ATOM 646 CD1 LEU A 45 11.307 16.014 6.648 1.00 2.51 C ATOM 647 CD2 LEU A 45 11.117 15.483 9.085 1.00 2.25 C ATOM 0 H LEU A 45 6.888 14.004 7.073 1.00 0.85 H new ATOM 0 HA LEU A 45 9.092 14.945 5.386 1.00 0.90 H new ATOM 0 HB2 LEU A 45 8.789 15.872 7.652 1.00 0.90 H new ATOM 0 HB3 LEU A 45 8.875 14.263 8.341 1.00 0.90 H new ATOM 0 HG LEU A 45 11.221 14.062 7.496 1.00 1.76 H new ATOM 0 HD11 LEU A 45 12.387 16.103 6.767 1.00 2.51 H new ATOM 0 HD12 LEU A 45 11.081 15.653 5.645 1.00 2.51 H new ATOM 0 HD13 LEU A 45 10.844 16.990 6.795 1.00 2.51 H new ATOM 0 HD21 LEU A 45 12.199 15.581 9.174 1.00 2.25 H new ATOM 0 HD22 LEU A 45 10.647 16.445 9.290 1.00 2.25 H new ATOM 0 HD23 LEU A 45 10.759 14.745 9.803 1.00 2.25 H new ATOM 658 N GLY A 46 8.887 11.925 6.705 1.00 0.72 N ATOM 659 CA GLY A 46 9.412 10.577 6.584 1.00 0.72 C ATOM 660 C GLY A 46 9.238 9.775 7.859 1.00 0.66 C ATOM 661 O GLY A 46 10.011 9.922 8.802 1.00 0.77 O ATOM 0 H GLY A 46 8.115 12.027 7.364 1.00 0.72 H new ATOM 0 HA2 GLY A 46 8.908 10.065 5.764 1.00 0.72 H new ATOM 0 HA3 GLY A 46 10.471 10.623 6.328 1.00 0.72 H new ATOM 665 N ASP A 47 8.218 8.923 7.883 1.00 0.53 N ATOM 666 CA ASP A 47 7.939 8.098 9.052 1.00 0.49 C ATOM 667 C ASP A 47 7.536 6.685 8.641 1.00 0.46 C ATOM 668 O ASP A 47 7.321 6.412 7.461 1.00 0.46 O ATOM 669 CB ASP A 47 6.834 8.740 9.895 1.00 0.45 C ATOM 670 CG ASP A 47 7.323 9.957 10.657 1.00 0.78 C ATOM 671 OD1 ASP A 47 7.714 10.948 10.005 1.00 0.94 O ATOM 672 OD2 ASP A 47 7.321 9.916 11.905 1.00 1.07 O ATOM 0 H ASP A 47 7.571 8.786 7.106 1.00 0.53 H new ATOM 0 HA ASP A 47 8.849 8.030 9.648 1.00 0.49 H new ATOM 0 HB2 ASP A 47 6.007 9.029 9.246 1.00 0.45 H new ATOM 0 HB3 ASP A 47 6.445 8.005 10.600 1.00 0.45 H new ATOM 676 N PRO A 48 7.430 5.765 9.615 1.00 0.47 N ATOM 677 CA PRO A 48 7.052 4.381 9.360 1.00 0.47 C ATOM 678 C PRO A 48 5.539 4.212 9.309 1.00 0.37 C ATOM 679 O PRO A 48 4.842 4.444 10.296 1.00 0.38 O ATOM 680 CB PRO A 48 7.633 3.615 10.560 1.00 0.56 C ATOM 681 CG PRO A 48 8.224 4.647 11.476 1.00 0.61 C ATOM 682 CD PRO A 48 7.693 5.982 11.037 1.00 0.53 C ATOM 0 HA PRO A 48 7.423 4.026 8.399 1.00 0.47 H new ATOM 0 HB2 PRO A 48 6.857 3.043 11.069 1.00 0.56 H new ATOM 0 HB3 PRO A 48 8.392 2.903 10.236 1.00 0.56 H new ATOM 0 HG2 PRO A 48 7.950 4.445 12.512 1.00 0.61 H new ATOM 0 HG3 PRO A 48 9.313 4.630 11.425 1.00 0.61 H new ATOM 0 HD2 PRO A 48 6.789 6.258 11.580 1.00 0.53 H new ATOM 0 HD3 PRO A 48 8.417 6.780 11.199 1.00 0.53 H new ATOM 687 N VAL A 49 5.042 3.803 8.149 1.00 0.32 N ATOM 688 CA VAL A 49 3.614 3.610 7.954 1.00 0.26 C ATOM 689 C VAL A 49 3.268 2.125 7.904 1.00 0.28 C ATOM 690 O VAL A 49 4.117 1.286 7.603 1.00 0.39 O ATOM 691 CB VAL A 49 3.137 4.311 6.660 1.00 0.27 C ATOM 692 CG1 VAL A 49 4.084 4.004 5.511 1.00 0.35 C ATOM 693 CG2 VAL A 49 1.707 3.916 6.302 1.00 0.31 C ATOM 0 H VAL A 49 5.610 3.598 7.327 1.00 0.32 H new ATOM 0 HA VAL A 49 3.098 4.058 8.803 1.00 0.26 H new ATOM 0 HB VAL A 49 3.144 5.386 6.841 1.00 0.27 H new ATOM 0 HG11 VAL A 49 3.735 4.504 4.608 1.00 0.35 H new ATOM 0 HG12 VAL A 49 5.084 4.359 5.759 1.00 0.35 H new ATOM 0 HG13 VAL A 49 4.113 2.928 5.341 1.00 0.35 H new ATOM 0 HG21 VAL A 49 1.406 4.428 5.388 1.00 0.31 H new ATOM 0 HG22 VAL A 49 1.655 2.838 6.148 1.00 0.31 H new ATOM 0 HG23 VAL A 49 1.037 4.200 7.114 1.00 0.31 H new ATOM 703 N HIS A 50 2.012 1.813 8.200 1.00 0.29 N ATOM 704 CA HIS A 50 1.544 0.435 8.193 1.00 0.31 C ATOM 705 C HIS A 50 0.395 0.261 7.208 1.00 0.29 C ATOM 706 O HIS A 50 -0.512 1.092 7.143 1.00 0.31 O ATOM 707 CB HIS A 50 1.100 0.020 9.596 1.00 0.34 C ATOM 708 CG HIS A 50 2.146 0.238 10.645 1.00 0.37 C ATOM 709 ND1 HIS A 50 2.856 -0.790 11.228 1.00 1.13 N ATOM 710 CD2 HIS A 50 2.601 1.379 11.219 1.00 1.08 C ATOM 711 CE1 HIS A 50 3.701 -0.294 12.114 1.00 0.85 C ATOM 712 NE2 HIS A 50 3.566 1.019 12.127 1.00 0.68 N ATOM 0 H HIS A 50 1.299 2.499 8.448 1.00 0.29 H new ATOM 0 HA HIS A 50 2.368 -0.205 7.878 1.00 0.31 H new ATOM 0 HB2 HIS A 50 0.205 0.581 9.865 1.00 0.34 H new ATOM 0 HB3 HIS A 50 0.824 -1.034 9.584 1.00 0.34 H new ATOM 0 HD2 HIS A 50 2.267 2.383 11.003 1.00 1.08 H new ATOM 0 HE1 HIS A 50 4.385 -0.865 12.724 1.00 0.85 H new ATOM 0 HE2 HIS A 50 4.094 1.663 12.717 1.00 0.68 H new ATOM 720 N ILE A 51 0.440 -0.823 6.441 1.00 0.32 N ATOM 721 CA ILE A 51 -0.595 -1.105 5.457 1.00 0.32 C ATOM 722 C ILE A 51 -1.561 -2.168 5.965 1.00 0.32 C ATOM 723 O ILE A 51 -1.163 -3.105 6.657 1.00 0.31 O ATOM 724 CB ILE A 51 0.008 -1.576 4.119 1.00 0.34 C ATOM 725 CG1 ILE A 51 0.806 -2.866 4.313 1.00 0.34 C ATOM 726 CG2 ILE A 51 0.891 -0.490 3.526 1.00 0.36 C ATOM 727 CD1 ILE A 51 1.408 -3.397 3.031 1.00 0.36 C ATOM 0 H ILE A 51 1.183 -1.520 6.483 1.00 0.32 H new ATOM 0 HA ILE A 51 -1.135 -0.172 5.294 1.00 0.32 H new ATOM 0 HB ILE A 51 -0.808 -1.778 3.425 1.00 0.34 H new ATOM 0 HG12 ILE A 51 1.604 -2.686 5.033 1.00 0.34 H new ATOM 0 HG13 ILE A 51 0.154 -3.627 4.742 1.00 0.34 H new ATOM 0 HG21 ILE A 51 1.310 -0.837 2.581 1.00 0.36 H new ATOM 0 HG22 ILE A 51 0.297 0.407 3.352 1.00 0.36 H new ATOM 0 HG23 ILE A 51 1.700 -0.260 4.219 1.00 0.36 H new ATOM 0 HD11 ILE A 51 1.960 -4.313 3.240 1.00 0.36 H new ATOM 0 HD12 ILE A 51 0.613 -3.608 2.316 1.00 0.36 H new ATOM 0 HD13 ILE A 51 2.085 -2.653 2.612 1.00 0.36 H new ATOM 738 N GLU A 52 -2.835 -2.015 5.620 1.00 0.36 N ATOM 739 CA GLU A 52 -3.859 -2.964 6.036 1.00 0.39 C ATOM 740 C GLU A 52 -4.305 -3.826 4.862 1.00 0.42 C ATOM 741 O GLU A 52 -4.950 -3.340 3.931 1.00 0.43 O ATOM 742 CB GLU A 52 -5.060 -2.226 6.631 1.00 0.45 C ATOM 743 CG GLU A 52 -4.713 -1.389 7.852 1.00 1.01 C ATOM 744 CD GLU A 52 -4.258 -2.232 9.027 1.00 1.46 C ATOM 745 OE1 GLU A 52 -3.079 -2.643 9.041 1.00 2.13 O ATOM 746 OE2 GLU A 52 -5.078 -2.477 9.936 1.00 1.91 O ATOM 0 H GLU A 52 -3.183 -1.242 5.053 1.00 0.36 H new ATOM 0 HA GLU A 52 -3.430 -3.613 6.799 1.00 0.39 H new ATOM 0 HB2 GLU A 52 -5.493 -1.579 5.868 1.00 0.45 H new ATOM 0 HB3 GLU A 52 -5.825 -2.953 6.904 1.00 0.45 H new ATOM 0 HG2 GLU A 52 -3.926 -0.681 7.591 1.00 1.01 H new ATOM 0 HG3 GLU A 52 -5.584 -0.803 8.146 1.00 1.01 H new ATOM 751 N THR A 53 -3.952 -5.105 4.910 1.00 0.52 N ATOM 752 CA THR A 53 -4.309 -6.040 3.853 1.00 0.58 C ATOM 753 C THR A 53 -5.317 -7.072 4.351 1.00 0.61 C ATOM 754 O THR A 53 -5.800 -6.985 5.481 1.00 0.60 O ATOM 755 CB THR A 53 -3.065 -6.765 3.307 1.00 0.59 C ATOM 756 OG1 THR A 53 -2.435 -7.512 4.354 1.00 0.55 O ATOM 757 CG2 THR A 53 -2.074 -5.767 2.725 1.00 0.64 C ATOM 0 H THR A 53 -3.417 -5.518 5.673 1.00 0.52 H new ATOM 0 HA THR A 53 -4.761 -5.459 3.049 1.00 0.58 H new ATOM 0 HB THR A 53 -3.383 -7.445 2.517 1.00 0.59 H new ATOM 0 HG1 THR A 53 -2.281 -6.928 5.126 1.00 0.55 H new ATOM 0 HG21 THR A 53 -1.202 -6.299 2.345 1.00 0.64 H new ATOM 0 HG22 THR A 53 -2.547 -5.217 1.911 1.00 0.64 H new ATOM 0 HG23 THR A 53 -1.762 -5.069 3.502 1.00 0.64 H new ATOM 765 N ARG A 54 -5.630 -8.049 3.508 1.00 0.68 N ATOM 766 CA ARG A 54 -6.586 -9.092 3.864 1.00 0.73 C ATOM 767 C ARG A 54 -6.225 -9.751 5.191 1.00 0.67 C ATOM 768 O ARG A 54 -5.422 -10.682 5.236 1.00 0.69 O ATOM 769 CB ARG A 54 -6.653 -10.150 2.761 1.00 0.84 C ATOM 770 CG ARG A 54 -7.127 -9.605 1.424 1.00 1.47 C ATOM 771 CD ARG A 54 -8.514 -8.995 1.534 1.00 1.53 C ATOM 772 NE ARG A 54 -9.027 -8.561 0.238 1.00 2.10 N ATOM 773 CZ ARG A 54 -10.226 -8.015 0.067 1.00 2.32 C ATOM 774 NH1 ARG A 54 -11.029 -7.835 1.107 1.00 1.97 N ATOM 775 NH2 ARG A 54 -10.624 -7.647 -1.144 1.00 3.04 N ATOM 0 H ARG A 54 -5.235 -8.141 2.572 1.00 0.68 H new ATOM 0 HA ARG A 54 -7.563 -8.621 3.973 1.00 0.73 H new ATOM 0 HB2 ARG A 54 -5.665 -10.593 2.634 1.00 0.84 H new ATOM 0 HB3 ARG A 54 -7.323 -10.950 3.076 1.00 0.84 H new ATOM 0 HG2 ARG A 54 -6.424 -8.852 1.066 1.00 1.47 H new ATOM 0 HG3 ARG A 54 -7.138 -10.407 0.686 1.00 1.47 H new ATOM 0 HD2 ARG A 54 -9.197 -9.725 1.968 1.00 1.53 H new ATOM 0 HD3 ARG A 54 -8.482 -8.144 2.214 1.00 1.53 H new ATOM 0 HE ARG A 54 -8.432 -8.684 -0.581 1.00 2.10 H new ATOM 0 HH11 ARG A 54 -10.726 -8.116 2.040 1.00 1.97 H new ATOM 0 HH12 ARG A 54 -11.949 -7.416 0.974 1.00 1.97 H new ATOM 0 HH21 ARG A 54 -10.009 -7.783 -1.946 1.00 3.04 H new ATOM 0 HH22 ARG A 54 -11.545 -7.228 -1.273 1.00 3.04 H new ATOM 786 N ARG A 55 -6.822 -9.257 6.272 1.00 0.66 N ATOM 787 CA ARG A 55 -6.580 -9.799 7.603 1.00 0.66 C ATOM 788 C ARG A 55 -5.089 -9.848 7.930 1.00 0.62 C ATOM 789 O ARG A 55 -4.617 -10.791 8.564 1.00 0.70 O ATOM 790 CB ARG A 55 -7.177 -11.202 7.719 1.00 0.73 C ATOM 791 CG ARG A 55 -8.681 -11.247 7.510 1.00 1.06 C ATOM 792 CD ARG A 55 -9.215 -12.666 7.622 1.00 1.67 C ATOM 793 NE ARG A 55 -8.956 -13.246 8.937 1.00 2.43 N ATOM 794 CZ ARG A 55 -9.080 -14.542 9.207 1.00 3.17 C ATOM 795 NH1 ARG A 55 -9.467 -15.385 8.260 1.00 3.34 N ATOM 796 NH2 ARG A 55 -8.818 -14.994 10.425 1.00 4.11 N ATOM 0 H ARG A 55 -7.480 -8.478 6.250 1.00 0.66 H new ATOM 0 HA ARG A 55 -7.063 -9.135 8.320 1.00 0.66 H new ATOM 0 HB2 ARG A 55 -6.698 -11.852 6.987 1.00 0.73 H new ATOM 0 HB3 ARG A 55 -6.944 -11.606 8.704 1.00 0.73 H new ATOM 0 HG2 ARG A 55 -9.171 -10.613 8.248 1.00 1.06 H new ATOM 0 HG3 ARG A 55 -8.926 -10.841 6.528 1.00 1.06 H new ATOM 0 HD2 ARG A 55 -10.288 -12.666 7.431 1.00 1.67 H new ATOM 0 HD3 ARG A 55 -8.755 -13.288 6.854 1.00 1.67 H new ATOM 0 HE ARG A 55 -8.664 -12.623 9.690 1.00 2.43 H new ATOM 0 HH11 ARG A 55 -9.670 -15.040 7.322 1.00 3.34 H new ATOM 0 HH12 ARG A 55 -9.561 -16.379 8.469 1.00 3.34 H new ATOM 0 HH21 ARG A 55 -8.521 -14.348 11.156 1.00 4.11 H new ATOM 0 HH22 ARG A 55 -8.913 -15.988 10.631 1.00 4.11 H new ATOM 807 N VAL A 56 -4.353 -8.829 7.502 1.00 0.58 N ATOM 808 CA VAL A 56 -2.918 -8.768 7.758 1.00 0.57 C ATOM 809 C VAL A 56 -2.417 -7.328 7.734 1.00 0.49 C ATOM 810 O VAL A 56 -2.730 -6.568 6.816 1.00 0.50 O ATOM 811 CB VAL A 56 -2.122 -9.596 6.731 1.00 0.66 C ATOM 812 CG1 VAL A 56 -0.632 -9.523 7.021 1.00 1.02 C ATOM 813 CG2 VAL A 56 -2.599 -11.041 6.727 1.00 1.23 C ATOM 0 H VAL A 56 -4.724 -8.036 6.978 1.00 0.58 H new ATOM 0 HA VAL A 56 -2.758 -9.190 8.750 1.00 0.57 H new ATOM 0 HB VAL A 56 -2.296 -9.174 5.741 1.00 0.66 H new ATOM 0 HG11 VAL A 56 -0.089 -10.114 6.284 1.00 1.02 H new ATOM 0 HG12 VAL A 56 -0.302 -8.486 6.969 1.00 1.02 H new ATOM 0 HG13 VAL A 56 -0.436 -9.917 8.018 1.00 1.02 H new ATOM 0 HG21 VAL A 56 -2.026 -11.611 5.996 1.00 1.23 H new ATOM 0 HG22 VAL A 56 -2.457 -11.474 7.717 1.00 1.23 H new ATOM 0 HG23 VAL A 56 -3.657 -11.074 6.465 1.00 1.23 H new ATOM 823 N SER A 57 -1.640 -6.959 8.748 1.00 0.48 N ATOM 824 CA SER A 57 -1.101 -5.607 8.844 1.00 0.43 C ATOM 825 C SER A 57 0.414 -5.604 8.661 1.00 0.42 C ATOM 826 O SER A 57 1.155 -6.041 9.541 1.00 0.46 O ATOM 827 CB SER A 57 -1.461 -4.991 10.196 1.00 0.51 C ATOM 828 OG SER A 57 -0.957 -3.671 10.309 1.00 0.64 O ATOM 0 H SER A 57 -1.370 -7.577 9.514 1.00 0.48 H new ATOM 0 HA SER A 57 -1.544 -5.011 8.046 1.00 0.43 H new ATOM 0 HB2 SER A 57 -2.544 -4.981 10.317 1.00 0.51 H new ATOM 0 HB3 SER A 57 -1.056 -5.607 10.999 1.00 0.51 H new ATOM 0 HG SER A 57 -1.508 -3.064 9.772 1.00 0.64 H new ATOM 833 N LEU A 58 0.864 -5.107 7.515 1.00 0.38 N ATOM 834 CA LEU A 58 2.291 -5.035 7.221 1.00 0.40 C ATOM 835 C LEU A 58 2.810 -3.618 7.433 1.00 0.37 C ATOM 836 O LEU A 58 2.055 -2.651 7.337 1.00 0.38 O ATOM 837 CB LEU A 58 2.565 -5.480 5.782 1.00 0.43 C ATOM 838 CG LEU A 58 4.043 -5.523 5.389 1.00 0.96 C ATOM 839 CD1 LEU A 58 4.803 -6.491 6.281 1.00 1.50 C ATOM 840 CD2 LEU A 58 4.195 -5.914 3.926 1.00 1.54 C ATOM 0 H LEU A 58 0.262 -4.748 6.774 1.00 0.38 H new ATOM 0 HA LEU A 58 2.813 -5.706 7.903 1.00 0.40 H new ATOM 0 HB2 LEU A 58 2.137 -6.472 5.637 1.00 0.43 H new ATOM 0 HB3 LEU A 58 2.044 -4.805 5.103 1.00 0.43 H new ATOM 0 HG LEU A 58 4.464 -4.527 5.524 1.00 0.96 H new ATOM 0 HD11 LEU A 58 5.853 -6.509 5.987 1.00 1.50 H new ATOM 0 HD12 LEU A 58 4.722 -6.169 7.319 1.00 1.50 H new ATOM 0 HD13 LEU A 58 4.380 -7.490 6.177 1.00 1.50 H new ATOM 0 HD21 LEU A 58 5.253 -5.939 3.664 1.00 1.54 H new ATOM 0 HD22 LEU A 58 3.758 -6.899 3.765 1.00 1.54 H new ATOM 0 HD23 LEU A 58 3.684 -5.184 3.299 1.00 1.54 H new ATOM 851 N VAL A 59 4.100 -3.500 7.725 1.00 0.41 N ATOM 852 CA VAL A 59 4.711 -2.196 7.950 1.00 0.40 C ATOM 853 C VAL A 59 5.611 -1.800 6.783 1.00 0.40 C ATOM 854 O VAL A 59 6.345 -2.627 6.242 1.00 0.47 O ATOM 855 CB VAL A 59 5.535 -2.179 9.250 1.00 0.45 C ATOM 856 CG1 VAL A 59 6.701 -3.153 9.157 1.00 0.50 C ATOM 857 CG2 VAL A 59 6.027 -0.771 9.550 1.00 0.45 C ATOM 0 H VAL A 59 4.741 -4.289 7.811 1.00 0.41 H new ATOM 0 HA VAL A 59 3.897 -1.476 8.036 1.00 0.40 H new ATOM 0 HB VAL A 59 4.893 -2.497 10.071 1.00 0.45 H new ATOM 0 HG11 VAL A 59 7.272 -3.127 10.085 1.00 0.50 H new ATOM 0 HG12 VAL A 59 6.321 -4.161 8.993 1.00 0.50 H new ATOM 0 HG13 VAL A 59 7.347 -2.869 8.326 1.00 0.50 H new ATOM 0 HG21 VAL A 59 6.608 -0.777 10.472 1.00 0.45 H new ATOM 0 HG22 VAL A 59 6.653 -0.422 8.729 1.00 0.45 H new ATOM 0 HG23 VAL A 59 5.173 -0.104 9.664 1.00 0.45 H new ATOM 867 N LEU A 60 5.548 -0.528 6.402 1.00 0.39 N ATOM 868 CA LEU A 60 6.357 -0.016 5.300 1.00 0.40 C ATOM 869 C LEU A 60 7.102 1.248 5.718 1.00 0.38 C ATOM 870 O LEU A 60 6.795 1.854 6.745 1.00 0.48 O ATOM 871 CB LEU A 60 5.478 0.271 4.082 1.00 0.45 C ATOM 872 CG LEU A 60 4.760 -0.949 3.501 1.00 0.61 C ATOM 873 CD1 LEU A 60 3.948 -0.559 2.276 1.00 0.77 C ATOM 874 CD2 LEU A 60 5.763 -2.039 3.151 1.00 0.97 C ATOM 0 H LEU A 60 4.945 0.168 6.840 1.00 0.39 H new ATOM 0 HA LEU A 60 7.090 -0.778 5.034 1.00 0.40 H new ATOM 0 HB2 LEU A 60 4.732 1.015 4.359 1.00 0.45 H new ATOM 0 HB3 LEU A 60 6.097 0.715 3.302 1.00 0.45 H new ATOM 0 HG LEU A 60 4.076 -1.338 4.256 1.00 0.61 H new ATOM 0 HD11 LEU A 60 3.445 -1.440 1.877 1.00 0.77 H new ATOM 0 HD12 LEU A 60 3.205 0.188 2.555 1.00 0.77 H new ATOM 0 HD13 LEU A 60 4.611 -0.145 1.516 1.00 0.77 H new ATOM 0 HD21 LEU A 60 5.236 -2.900 2.739 1.00 0.97 H new ATOM 0 HD22 LEU A 60 6.470 -1.659 2.414 1.00 0.97 H new ATOM 0 HD23 LEU A 60 6.302 -2.340 4.049 1.00 0.97 H new ATOM 885 N ARG A 61 8.081 1.646 4.910 1.00 0.51 N ATOM 886 CA ARG A 61 8.877 2.834 5.200 1.00 0.58 C ATOM 887 C ARG A 61 8.837 3.812 4.029 1.00 0.54 C ATOM 888 O ARG A 61 8.958 3.413 2.871 1.00 0.59 O ATOM 889 CB ARG A 61 10.321 2.436 5.502 1.00 0.69 C ATOM 890 CG ARG A 61 10.459 1.523 6.709 1.00 1.34 C ATOM 891 CD ARG A 61 11.901 1.100 6.930 1.00 1.51 C ATOM 892 NE ARG A 61 12.058 0.289 8.134 1.00 2.06 N ATOM 893 CZ ARG A 61 13.231 0.036 8.703 1.00 2.47 C ATOM 894 NH1 ARG A 61 14.345 0.533 8.181 1.00 2.45 N ATOM 895 NH2 ARG A 61 13.295 -0.711 9.797 1.00 3.32 N ATOM 0 H ARG A 61 8.342 1.163 4.050 1.00 0.51 H new ATOM 0 HA ARG A 61 8.452 3.328 6.074 1.00 0.58 H new ATOM 0 HB2 ARG A 61 10.742 1.937 4.629 1.00 0.69 H new ATOM 0 HB3 ARG A 61 10.911 3.337 5.669 1.00 0.69 H new ATOM 0 HG2 ARG A 61 10.090 2.035 7.597 1.00 1.34 H new ATOM 0 HG3 ARG A 61 9.837 0.639 6.570 1.00 1.34 H new ATOM 0 HD2 ARG A 61 12.249 0.535 6.065 1.00 1.51 H new ATOM 0 HD3 ARG A 61 12.531 1.986 7.006 1.00 1.51 H new ATOM 0 HE ARG A 61 11.220 -0.105 8.562 1.00 2.06 H new ATOM 0 HH11 ARG A 61 14.301 1.110 7.341 1.00 2.45 H new ATOM 0 HH12 ARG A 61 15.245 0.338 8.619 1.00 2.45 H new ATOM 0 HH21 ARG A 61 12.441 -1.093 10.204 1.00 3.32 H new ATOM 0 HH22 ARG A 61 14.198 -0.903 10.231 1.00 3.32 H new ATOM 906 N LYS A 62 8.673 5.095 4.341 1.00 0.69 N ATOM 907 CA LYS A 62 8.613 6.134 3.316 1.00 0.74 C ATOM 908 C LYS A 62 9.723 5.957 2.283 1.00 0.68 C ATOM 909 O LYS A 62 9.567 6.329 1.120 1.00 0.76 O ATOM 910 CB LYS A 62 8.716 7.520 3.958 1.00 0.92 C ATOM 911 CG LYS A 62 8.625 8.665 2.962 1.00 1.88 C ATOM 912 CD LYS A 62 7.187 9.112 2.745 1.00 2.95 C ATOM 913 CE LYS A 62 6.312 7.976 2.239 1.00 3.60 C ATOM 914 NZ LYS A 62 4.980 8.460 1.785 1.00 4.70 N ATOM 0 H LYS A 62 8.579 5.441 5.296 1.00 0.69 H new ATOM 0 HA LYS A 62 7.654 6.044 2.806 1.00 0.74 H new ATOM 0 HB2 LYS A 62 7.921 7.628 4.696 1.00 0.92 H new ATOM 0 HB3 LYS A 62 9.662 7.592 4.495 1.00 0.92 H new ATOM 0 HG2 LYS A 62 9.217 9.507 3.321 1.00 1.88 H new ATOM 0 HG3 LYS A 62 9.057 8.354 2.011 1.00 1.88 H new ATOM 0 HD2 LYS A 62 6.780 9.495 3.681 1.00 2.95 H new ATOM 0 HD3 LYS A 62 7.166 9.934 2.029 1.00 2.95 H new ATOM 0 HE2 LYS A 62 6.815 7.470 1.414 1.00 3.60 H new ATOM 0 HE3 LYS A 62 6.180 7.239 3.031 1.00 3.60 H new ATOM 0 HZ1 LYS A 62 4.415 7.655 1.448 1.00 4.70 H new ATOM 0 HZ2 LYS A 62 4.489 8.920 2.578 1.00 4.70 H new ATOM 0 HZ3 LYS A 62 5.104 9.144 1.011 1.00 4.70 H new ATOM 924 N LYS A 63 10.845 5.386 2.714 1.00 0.64 N ATOM 925 CA LYS A 63 11.973 5.156 1.821 1.00 0.71 C ATOM 926 C LYS A 63 11.789 3.850 1.059 1.00 0.63 C ATOM 927 O LYS A 63 12.232 3.715 -0.083 1.00 0.73 O ATOM 928 CB LYS A 63 13.286 5.128 2.606 1.00 0.88 C ATOM 929 CG LYS A 63 13.281 4.153 3.771 1.00 0.88 C ATOM 930 CD LYS A 63 14.645 4.084 4.442 1.00 1.10 C ATOM 931 CE LYS A 63 14.595 3.265 5.721 1.00 1.67 C ATOM 932 NZ LYS A 63 13.729 3.899 6.751 1.00 2.28 N ATOM 0 H LYS A 63 10.995 5.075 3.674 1.00 0.64 H new ATOM 0 HA LYS A 63 12.015 5.977 1.105 1.00 0.71 H new ATOM 0 HB2 LYS A 63 14.099 4.866 1.928 1.00 0.88 H new ATOM 0 HB3 LYS A 63 13.495 6.129 2.983 1.00 0.88 H new ATOM 0 HG2 LYS A 63 12.530 4.458 4.500 1.00 0.88 H new ATOM 0 HG3 LYS A 63 12.997 3.162 3.417 1.00 0.88 H new ATOM 0 HD2 LYS A 63 15.368 3.644 3.755 1.00 1.10 H new ATOM 0 HD3 LYS A 63 14.992 5.092 4.668 1.00 1.10 H new ATOM 0 HE2 LYS A 63 14.222 2.265 5.498 1.00 1.67 H new ATOM 0 HE3 LYS A 63 15.604 3.148 6.117 1.00 1.67 H new ATOM 0 HZ1 LYS A 63 13.878 3.429 7.667 1.00 2.28 H new ATOM 0 HZ2 LYS A 63 13.971 4.907 6.836 1.00 2.28 H new ATOM 0 HZ3 LYS A 63 12.732 3.805 6.472 1.00 2.28 H new ATOM 942 N ASP A 64 11.131 2.889 1.699 1.00 0.54 N ATOM 943 CA ASP A 64 10.877 1.593 1.084 1.00 0.54 C ATOM 944 C ASP A 64 9.866 1.726 -0.052 1.00 0.46 C ATOM 945 O ASP A 64 9.968 1.042 -1.070 1.00 0.56 O ATOM 946 CB ASP A 64 10.360 0.602 2.129 1.00 0.56 C ATOM 947 CG ASP A 64 10.090 -0.771 1.545 1.00 1.38 C ATOM 948 OD1 ASP A 64 11.026 -1.598 1.514 1.00 1.49 O ATOM 949 OD2 ASP A 64 8.942 -1.020 1.120 1.00 2.30 O ATOM 0 H ASP A 64 10.764 2.985 2.646 1.00 0.54 H new ATOM 0 HA ASP A 64 11.815 1.219 0.674 1.00 0.54 H new ATOM 0 HB2 ASP A 64 11.090 0.514 2.934 1.00 0.56 H new ATOM 0 HB3 ASP A 64 9.443 0.991 2.572 1.00 0.56 H new ATOM 953 N LEU A 65 8.894 2.615 0.130 1.00 0.39 N ATOM 954 CA LEU A 65 7.865 2.841 -0.880 1.00 0.41 C ATOM 955 C LEU A 65 8.476 3.378 -2.173 1.00 0.45 C ATOM 956 O LEU A 65 7.896 3.234 -3.250 1.00 0.52 O ATOM 957 CB LEU A 65 6.807 3.818 -0.361 1.00 0.51 C ATOM 958 CG LEU A 65 5.809 3.230 0.638 1.00 0.49 C ATOM 959 CD1 LEU A 65 6.490 2.926 1.963 1.00 0.67 C ATOM 960 CD2 LEU A 65 4.638 4.180 0.844 1.00 0.70 C ATOM 0 H LEU A 65 8.797 3.190 0.967 1.00 0.39 H new ATOM 0 HA LEU A 65 7.390 1.883 -1.092 1.00 0.41 H new ATOM 0 HB2 LEU A 65 7.314 4.660 0.110 1.00 0.51 H new ATOM 0 HB3 LEU A 65 6.253 4.214 -1.212 1.00 0.51 H new ATOM 0 HG LEU A 65 5.426 2.295 0.229 1.00 0.49 H new ATOM 0 HD11 LEU A 65 5.762 2.509 2.659 1.00 0.67 H new ATOM 0 HD12 LEU A 65 7.293 2.206 1.803 1.00 0.67 H new ATOM 0 HD13 LEU A 65 6.904 3.845 2.379 1.00 0.67 H new ATOM 0 HD21 LEU A 65 3.938 3.745 1.558 1.00 0.70 H new ATOM 0 HD22 LEU A 65 5.005 5.132 1.229 1.00 0.70 H new ATOM 0 HD23 LEU A 65 4.131 4.344 -0.107 1.00 0.70 H new ATOM 971 N ALA A 66 9.646 3.997 -2.060 1.00 0.46 N ATOM 972 CA ALA A 66 10.332 4.558 -3.219 1.00 0.52 C ATOM 973 C ALA A 66 10.550 3.502 -4.298 1.00 0.50 C ATOM 974 O ALA A 66 10.524 3.806 -5.491 1.00 0.66 O ATOM 975 CB ALA A 66 11.662 5.167 -2.800 1.00 0.60 C ATOM 0 H ALA A 66 10.140 4.123 -1.177 1.00 0.46 H new ATOM 0 HA ALA A 66 9.700 5.341 -3.638 1.00 0.52 H new ATOM 0 HB1 ALA A 66 12.164 5.582 -3.674 1.00 0.60 H new ATOM 0 HB2 ALA A 66 11.486 5.959 -2.072 1.00 0.60 H new ATOM 0 HB3 ALA A 66 12.290 4.397 -2.353 1.00 0.60 H new ATOM 981 N LEU A 67 10.762 2.258 -3.876 1.00 0.37 N ATOM 982 CA LEU A 67 10.988 1.161 -4.811 1.00 0.35 C ATOM 983 C LEU A 67 9.669 0.598 -5.330 1.00 0.31 C ATOM 984 O LEU A 67 9.399 0.631 -6.530 1.00 0.30 O ATOM 985 CB LEU A 67 11.800 0.049 -4.144 1.00 0.38 C ATOM 986 CG LEU A 67 13.176 0.469 -3.621 1.00 0.43 C ATOM 987 CD1 LEU A 67 13.873 -0.706 -2.953 1.00 0.48 C ATOM 988 CD2 LEU A 67 14.026 1.024 -4.755 1.00 0.47 C ATOM 0 H LEU A 67 10.782 1.985 -2.893 1.00 0.37 H new ATOM 0 HA LEU A 67 11.550 1.556 -5.657 1.00 0.35 H new ATOM 0 HB2 LEU A 67 11.221 -0.353 -3.313 1.00 0.38 H new ATOM 0 HB3 LEU A 67 11.934 -0.761 -4.861 1.00 0.38 H new ATOM 0 HG LEU A 67 13.040 1.254 -2.877 1.00 0.43 H new ATOM 0 HD11 LEU A 67 14.850 -0.389 -2.587 1.00 0.48 H new ATOM 0 HD12 LEU A 67 13.269 -1.060 -2.117 1.00 0.48 H new ATOM 0 HD13 LEU A 67 14.000 -1.512 -3.675 1.00 0.48 H new ATOM 0 HD21 LEU A 67 15.002 1.318 -4.368 1.00 0.47 H new ATOM 0 HD22 LEU A 67 14.155 0.259 -5.521 1.00 0.47 H new ATOM 0 HD23 LEU A 67 13.531 1.892 -5.189 1.00 0.47 H new ATOM 999 N ILE A 68 8.849 0.085 -4.419 1.00 0.31 N ATOM 1000 CA ILE A 68 7.563 -0.490 -4.790 1.00 0.30 C ATOM 1001 C ILE A 68 6.626 0.573 -5.353 1.00 0.30 C ATOM 1002 O ILE A 68 6.640 1.723 -4.911 1.00 0.37 O ATOM 1003 CB ILE A 68 6.887 -1.172 -3.584 1.00 0.34 C ATOM 1004 CG1 ILE A 68 6.635 -0.155 -2.471 1.00 0.38 C ATOM 1005 CG2 ILE A 68 7.745 -2.320 -3.076 1.00 0.38 C ATOM 1006 CD1 ILE A 68 6.022 -0.762 -1.228 1.00 0.43 C ATOM 0 H ILE A 68 9.052 0.056 -3.420 1.00 0.31 H new ATOM 0 HA ILE A 68 7.759 -1.238 -5.559 1.00 0.30 H new ATOM 0 HB ILE A 68 5.927 -1.576 -3.905 1.00 0.34 H new ATOM 0 HG12 ILE A 68 7.578 0.323 -2.206 1.00 0.38 H new ATOM 0 HG13 ILE A 68 5.976 0.628 -2.847 1.00 0.38 H new ATOM 0 HG21 ILE A 68 7.255 -2.792 -2.224 1.00 0.38 H new ATOM 0 HG22 ILE A 68 7.878 -3.054 -3.871 1.00 0.38 H new ATOM 0 HG23 ILE A 68 8.718 -1.938 -2.768 1.00 0.38 H new ATOM 0 HD11 ILE A 68 5.871 0.016 -0.480 1.00 0.43 H new ATOM 0 HD12 ILE A 68 5.063 -1.215 -1.479 1.00 0.43 H new ATOM 0 HD13 ILE A 68 6.690 -1.525 -0.828 1.00 0.43 H new ATOM 1017 N GLU A 69 5.818 0.183 -6.332 1.00 0.29 N ATOM 1018 CA GLU A 69 4.878 1.104 -6.960 1.00 0.32 C ATOM 1019 C GLU A 69 3.513 1.031 -6.284 1.00 0.31 C ATOM 1020 O GLU A 69 3.154 0.010 -5.697 1.00 0.37 O ATOM 1021 CB GLU A 69 4.741 0.785 -8.450 1.00 0.34 C ATOM 1022 CG GLU A 69 4.034 1.871 -9.243 1.00 0.44 C ATOM 1023 CD GLU A 69 4.007 1.582 -10.730 1.00 1.30 C ATOM 1024 OE1 GLU A 69 3.067 0.896 -11.186 1.00 2.29 O ATOM 1025 OE2 GLU A 69 4.927 2.039 -11.441 1.00 1.26 O ATOM 0 H GLU A 69 5.795 -0.765 -6.708 1.00 0.29 H new ATOM 0 HA GLU A 69 5.266 2.116 -6.846 1.00 0.32 H new ATOM 0 HB2 GLU A 69 5.734 0.627 -8.872 1.00 0.34 H new ATOM 0 HB3 GLU A 69 4.194 -0.151 -8.564 1.00 0.34 H new ATOM 0 HG2 GLU A 69 3.012 1.975 -8.878 1.00 0.44 H new ATOM 0 HG3 GLU A 69 4.533 2.825 -9.071 1.00 0.44 H new ATOM 1030 N LEU A 70 2.754 2.118 -6.372 1.00 0.32 N ATOM 1031 CA LEU A 70 1.429 2.176 -5.765 1.00 0.33 C ATOM 1032 C LEU A 70 0.396 2.707 -6.754 1.00 0.33 C ATOM 1033 O LEU A 70 0.712 3.519 -7.623 1.00 0.45 O ATOM 1034 CB LEU A 70 1.454 3.062 -4.517 1.00 0.38 C ATOM 1035 CG LEU A 70 2.414 2.606 -3.415 1.00 0.95 C ATOM 1036 CD1 LEU A 70 2.393 3.587 -2.253 1.00 1.25 C ATOM 1037 CD2 LEU A 70 2.054 1.206 -2.939 1.00 1.85 C ATOM 0 H LEU A 70 3.033 2.970 -6.857 1.00 0.32 H new ATOM 0 HA LEU A 70 1.146 1.163 -5.480 1.00 0.33 H new ATOM 0 HB2 LEU A 70 1.723 4.075 -4.815 1.00 0.38 H new ATOM 0 HB3 LEU A 70 0.447 3.108 -4.103 1.00 0.38 H new ATOM 0 HG LEU A 70 3.423 2.580 -3.826 1.00 0.95 H new ATOM 0 HD11 LEU A 70 3.081 3.248 -1.478 1.00 1.25 H new ATOM 0 HD12 LEU A 70 2.698 4.573 -2.604 1.00 1.25 H new ATOM 0 HD13 LEU A 70 1.385 3.644 -1.843 1.00 1.25 H new ATOM 0 HD21 LEU A 70 2.747 0.899 -2.156 1.00 1.85 H new ATOM 0 HD22 LEU A 70 1.038 1.206 -2.545 1.00 1.85 H new ATOM 0 HD23 LEU A 70 2.119 0.510 -3.775 1.00 1.85 H new ATOM 1048 N GLU A 71 -0.841 2.243 -6.612 1.00 0.35 N ATOM 1049 CA GLU A 71 -1.924 2.672 -7.487 1.00 0.38 C ATOM 1050 C GLU A 71 -3.172 3.004 -6.678 1.00 0.37 C ATOM 1051 O GLU A 71 -3.761 2.131 -6.041 1.00 0.52 O ATOM 1052 CB GLU A 71 -2.243 1.586 -8.517 1.00 0.47 C ATOM 1053 CG GLU A 71 -3.392 1.948 -9.443 1.00 0.54 C ATOM 1054 CD GLU A 71 -3.687 0.864 -10.463 1.00 1.31 C ATOM 1055 OE1 GLU A 71 -4.500 -0.033 -10.157 1.00 2.24 O ATOM 1056 OE2 GLU A 71 -3.105 0.914 -11.567 1.00 1.26 O ATOM 0 H GLU A 71 -1.118 1.569 -5.898 1.00 0.35 H new ATOM 0 HA GLU A 71 -1.599 3.571 -8.011 1.00 0.38 H new ATOM 0 HB2 GLU A 71 -1.353 1.391 -9.115 1.00 0.47 H new ATOM 0 HB3 GLU A 71 -2.486 0.661 -7.994 1.00 0.47 H new ATOM 0 HG2 GLU A 71 -4.287 2.135 -8.849 1.00 0.54 H new ATOM 0 HG3 GLU A 71 -3.155 2.876 -9.963 1.00 0.54 H new ATOM 1061 N ALA A 72 -3.569 4.273 -6.705 1.00 0.45 N ATOM 1062 CA ALA A 72 -4.747 4.718 -5.972 1.00 0.52 C ATOM 1063 C ALA A 72 -6.004 4.020 -6.478 1.00 0.44 C ATOM 1064 O ALA A 72 -6.132 3.729 -7.668 1.00 0.53 O ATOM 1065 CB ALA A 72 -4.899 6.228 -6.083 1.00 0.76 C ATOM 0 H ALA A 72 -3.092 5.009 -7.226 1.00 0.45 H new ATOM 0 HA ALA A 72 -4.613 4.453 -4.923 1.00 0.52 H new ATOM 0 HB1 ALA A 72 -5.783 6.546 -5.531 1.00 0.76 H new ATOM 0 HB2 ALA A 72 -4.017 6.714 -5.667 1.00 0.76 H new ATOM 0 HB3 ALA A 72 -5.006 6.507 -7.131 1.00 0.76 H new ATOM 1071 N VAL A 73 -6.931 3.751 -5.564 1.00 0.58 N ATOM 1072 CA VAL A 73 -8.182 3.090 -5.916 1.00 0.64 C ATOM 1073 C VAL A 73 -8.974 3.910 -6.926 1.00 0.83 C ATOM 1074 O VAL A 73 -8.537 4.977 -7.356 1.00 0.99 O ATOM 1075 CB VAL A 73 -9.055 2.843 -4.674 1.00 0.78 C ATOM 1076 CG1 VAL A 73 -8.365 1.879 -3.720 1.00 1.01 C ATOM 1077 CG2 VAL A 73 -9.374 4.155 -3.974 1.00 1.16 C ATOM 0 H VAL A 73 -6.839 3.981 -4.574 1.00 0.58 H new ATOM 0 HA VAL A 73 -7.917 2.131 -6.361 1.00 0.64 H new ATOM 0 HB VAL A 73 -9.993 2.392 -4.997 1.00 0.78 H new ATOM 0 HG11 VAL A 73 -8.997 1.716 -2.847 1.00 1.01 H new ATOM 0 HG12 VAL A 73 -8.192 0.929 -4.225 1.00 1.01 H new ATOM 0 HG13 VAL A 73 -7.411 2.301 -3.403 1.00 1.01 H new ATOM 0 HG21 VAL A 73 -9.992 3.959 -3.098 1.00 1.16 H new ATOM 0 HG22 VAL A 73 -8.447 4.636 -3.663 1.00 1.16 H new ATOM 0 HG23 VAL A 73 -9.912 4.811 -4.658 1.00 1.16 H new