USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 516 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 8 CYS SG : rot 27:sc=-0.00686 USER MOD Single : A 16 LYS NZ :NH3+ -114:sc=-0.00732 (180deg=-0.203) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.472! USER MOD Single : A 27 THR OG1 : rot -120:sc= -1.51 USER MOD Single : A 28 CYS SG : rot 23:sc= 0.468 USER MOD Single : A 31 SER OG : rot 55:sc= 0.2 USER MOD Single : A 33 THR OG1 : rot 180:sc= -1.78 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 2:sc= 0.212 USER MOD Single : A 36 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.00045) USER MOD Single : A 37 SER OG : rot 144:sc= 0.301 USER MOD Single : A 39 THR OG1 : rot -36:sc= 1 USER MOD Single : A 45 SER OG : rot 180:sc= -0.166 USER MOD Single : A 46 LYS NZ :NH3+ -152:sc= -0.28 (180deg=-1.41!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 92:sc= 0.103 USER MOD Single : A 57 CYS SG : rot 168:sc= -0.398 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -1.32 K(o=-1.3,f=-2.4) USER MOD ----------------------------------------------------------------- ATOM 55 N TRP A 5 -4.306 10.482 8.647 1.00 0.00 N ATOM 56 CA TRP A 5 -3.245 9.432 8.671 1.00 0.00 C ATOM 57 C TRP A 5 -2.754 9.210 10.105 1.00 0.00 C ATOM 58 O TRP A 5 -2.868 10.076 10.950 1.00 0.00 O ATOM 59 CB TRP A 5 -2.120 9.988 7.798 1.00 0.00 C ATOM 60 CG TRP A 5 -2.346 9.586 6.378 1.00 0.00 C ATOM 61 CD1 TRP A 5 -3.283 10.118 5.560 1.00 0.00 C ATOM 62 CD2 TRP A 5 -1.644 8.579 5.593 1.00 0.00 C ATOM 63 NE1 TRP A 5 -3.201 9.502 4.325 1.00 0.00 N ATOM 64 CE2 TRP A 5 -2.205 8.547 4.295 1.00 0.00 C ATOM 65 CE3 TRP A 5 -0.585 7.700 5.879 1.00 0.00 C ATOM 66 CZ2 TRP A 5 -1.732 7.674 3.315 1.00 0.00 C ATOM 67 CZ3 TRP A 5 -0.106 6.819 4.894 1.00 0.00 C ATOM 68 CH2 TRP A 5 -0.679 6.806 3.615 1.00 0.00 C ATOM 0 HA TRP A 5 -3.606 8.470 8.307 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -2.086 11.075 7.878 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -1.157 9.613 8.144 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -3.981 10.897 5.828 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -3.803 9.726 3.533 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.137 7.702 6.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -2.177 7.669 2.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 0.708 6.148 5.124 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -0.307 6.126 2.863 1.00 0.00 H new ATOM 79 N LEU A 6 -2.214 8.054 10.384 1.00 0.00 N ATOM 80 CA LEU A 6 -1.721 7.771 11.766 1.00 0.00 C ATOM 81 C LEU A 6 -0.245 7.364 11.729 1.00 0.00 C ATOM 82 O LEU A 6 0.272 6.965 10.705 1.00 0.00 O ATOM 83 CB LEU A 6 -2.580 6.609 12.270 1.00 0.00 C ATOM 84 CG LEU A 6 -4.061 6.991 12.202 1.00 0.00 C ATOM 85 CD1 LEU A 6 -4.918 5.738 12.393 1.00 0.00 C ATOM 86 CD2 LEU A 6 -4.377 8.000 13.310 1.00 0.00 C ATOM 0 H LEU A 6 -2.092 7.293 9.716 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.797 8.644 12.414 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.396 5.720 11.666 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.306 6.360 13.295 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.279 7.436 11.231 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.973 6.008 12.345 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.691 5.019 11.606 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.701 5.293 13.364 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.431 8.273 13.263 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.160 7.554 14.281 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.765 8.892 13.176 1.00 0.00 H new ATOM 98 N ASP A 7 0.435 7.461 12.839 1.00 0.00 N ATOM 99 CA ASP A 7 1.878 7.078 12.869 1.00 0.00 C ATOM 100 C ASP A 7 2.040 5.594 12.520 1.00 0.00 C ATOM 101 O ASP A 7 1.072 4.883 12.329 1.00 0.00 O ATOM 102 CB ASP A 7 2.330 7.340 14.307 1.00 0.00 C ATOM 103 CG ASP A 7 2.317 8.846 14.580 1.00 0.00 C ATOM 104 OD1 ASP A 7 1.269 9.353 14.946 1.00 0.00 O ATOM 105 OD2 ASP A 7 3.355 9.466 14.417 1.00 0.00 O ATOM 0 H ASP A 7 0.055 7.789 13.727 1.00 0.00 H new ATOM 0 HA ASP A 7 2.468 7.642 12.147 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.669 6.827 15.006 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.332 6.940 14.463 1.00 0.00 H new ATOM 110 N CYS A 8 3.256 5.123 12.441 1.00 0.00 N ATOM 111 CA CYS A 8 3.485 3.687 12.109 1.00 0.00 C ATOM 112 C CYS A 8 4.852 3.238 12.643 1.00 0.00 C ATOM 113 O CYS A 8 5.857 3.394 11.979 1.00 0.00 O ATOM 114 CB CYS A 8 3.457 3.620 10.582 1.00 0.00 C ATOM 115 SG CYS A 8 3.593 1.895 10.051 1.00 0.00 S ATOM 0 H CYS A 8 4.102 5.672 12.592 1.00 0.00 H new ATOM 0 HA CYS A 8 2.735 3.034 12.556 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.532 4.056 10.205 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.277 4.205 10.167 1.00 0.00 H new ATOM 0 HG CYS A 8 3.123 1.117 10.980 1.00 0.00 H new ATOM 121 N PRO A 9 4.842 2.693 13.835 1.00 0.00 N ATOM 122 CA PRO A 9 6.099 2.220 14.467 1.00 0.00 C ATOM 123 C PRO A 9 6.548 0.875 13.894 1.00 0.00 C ATOM 124 O PRO A 9 7.479 0.269 14.389 1.00 0.00 O ATOM 125 CB PRO A 9 5.725 2.047 15.930 1.00 0.00 C ATOM 126 CG PRO A 9 4.243 1.835 15.942 1.00 0.00 C ATOM 127 CD PRO A 9 3.676 2.473 14.699 1.00 0.00 C ATOM 0 HA PRO A 9 6.922 2.915 14.300 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.247 1.197 16.370 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.000 2.927 16.512 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.010 0.771 15.965 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.801 2.278 16.834 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.943 1.825 14.219 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.170 3.411 14.929 1.00 0.00 H new ATOM 135 N ALA A 10 5.896 0.389 12.878 1.00 0.00 N ATOM 136 CA ALA A 10 6.297 -0.928 12.316 1.00 0.00 C ATOM 137 C ALA A 10 7.677 -0.848 11.652 1.00 0.00 C ATOM 138 O ALA A 10 8.248 -1.852 11.278 1.00 0.00 O ATOM 139 CB ALA A 10 5.229 -1.271 11.280 1.00 0.00 C ATOM 0 H ALA A 10 5.108 0.842 12.415 1.00 0.00 H new ATOM 0 HA ALA A 10 6.371 -1.686 13.096 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.461 -2.233 10.823 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.255 -1.326 11.766 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.208 -0.500 10.510 1.00 0.00 H new ATOM 145 N LEU A 11 8.215 0.330 11.490 1.00 0.00 N ATOM 146 CA LEU A 11 9.553 0.451 10.841 1.00 0.00 C ATOM 147 C LEU A 11 10.434 1.437 11.611 1.00 0.00 C ATOM 148 O LEU A 11 11.475 1.078 12.125 1.00 0.00 O ATOM 149 CB LEU A 11 9.258 0.969 9.435 1.00 0.00 C ATOM 150 CG LEU A 11 8.718 -0.177 8.573 1.00 0.00 C ATOM 151 CD1 LEU A 11 7.457 0.280 7.833 1.00 0.00 C ATOM 152 CD2 LEU A 11 9.783 -0.593 7.554 1.00 0.00 C ATOM 0 H LEU A 11 7.789 1.211 11.777 1.00 0.00 H new ATOM 0 HA LEU A 11 10.093 -0.496 10.823 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.530 1.779 9.479 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.164 1.378 8.989 1.00 0.00 H new ATOM 0 HG LEU A 11 8.472 -1.024 9.214 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.077 -0.539 7.222 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.697 0.575 8.557 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.698 1.129 7.193 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.400 -1.408 6.940 1.00 0.00 H new ATOM 0 HD22 LEU A 11 10.029 0.257 6.917 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.679 -0.924 8.079 1.00 0.00 H new ATOM 164 N GLY A 12 10.030 2.677 11.694 1.00 0.00 N ATOM 165 CA GLY A 12 10.851 3.679 12.431 1.00 0.00 C ATOM 166 C GLY A 12 10.120 5.024 12.467 1.00 0.00 C ATOM 167 O GLY A 12 8.940 5.095 12.187 1.00 0.00 O ATOM 0 H GLY A 12 9.169 3.038 11.284 1.00 0.00 H new ATOM 0 HA2 GLY A 12 11.041 3.331 13.446 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.821 3.795 11.947 1.00 0.00 H new ATOM 171 N PRO A 13 10.851 6.054 12.813 1.00 0.00 N ATOM 172 CA PRO A 13 10.262 7.414 12.888 1.00 0.00 C ATOM 173 C PRO A 13 10.009 7.964 11.481 1.00 0.00 C ATOM 174 O PRO A 13 10.887 7.968 10.640 1.00 0.00 O ATOM 175 CB PRO A 13 11.334 8.230 13.605 1.00 0.00 C ATOM 176 CG PRO A 13 12.615 7.510 13.334 1.00 0.00 C ATOM 177 CD PRO A 13 12.277 6.051 13.166 1.00 0.00 C ATOM 0 HA PRO A 13 9.301 7.437 13.402 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.369 9.252 13.229 1.00 0.00 H new ATOM 0 HB3 PRO A 13 11.134 8.291 14.675 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.094 7.900 12.436 1.00 0.00 H new ATOM 0 HG3 PRO A 13 13.317 7.650 14.156 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.880 5.589 12.385 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.460 5.491 14.083 1.00 0.00 H new ATOM 185 N GLY A 14 8.816 8.427 11.221 1.00 0.00 N ATOM 186 CA GLY A 14 8.504 8.974 9.870 1.00 0.00 C ATOM 187 C GLY A 14 7.411 8.125 9.217 1.00 0.00 C ATOM 188 O GLY A 14 6.535 8.632 8.543 1.00 0.00 O ATOM 0 H GLY A 14 8.044 8.450 11.887 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.175 10.010 9.952 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.400 8.973 9.249 1.00 0.00 H new ATOM 192 N TRP A 15 7.474 6.832 9.393 1.00 0.00 N ATOM 193 CA TRP A 15 6.460 5.931 8.766 1.00 0.00 C ATOM 194 C TRP A 15 5.041 6.306 9.201 1.00 0.00 C ATOM 195 O TRP A 15 4.794 6.631 10.345 1.00 0.00 O ATOM 196 CB TRP A 15 6.819 4.531 9.263 1.00 0.00 C ATOM 197 CG TRP A 15 7.903 3.960 8.407 1.00 0.00 C ATOM 198 CD1 TRP A 15 9.225 4.005 8.691 1.00 0.00 C ATOM 199 CD2 TRP A 15 7.783 3.263 7.133 1.00 0.00 C ATOM 200 NE1 TRP A 15 9.923 3.379 7.674 1.00 0.00 N ATOM 201 CE2 TRP A 15 9.078 2.905 6.692 1.00 0.00 C ATOM 202 CE3 TRP A 15 6.686 2.909 6.325 1.00 0.00 C ATOM 203 CZ2 TRP A 15 9.281 2.222 5.493 1.00 0.00 C ATOM 204 CZ3 TRP A 15 6.887 2.221 5.118 1.00 0.00 C ATOM 205 CH2 TRP A 15 8.182 1.878 4.704 1.00 0.00 C ATOM 0 H TRP A 15 8.187 6.358 9.947 1.00 0.00 H new ATOM 0 HA TRP A 15 6.474 6.003 7.678 1.00 0.00 H new ATOM 0 HB2 TRP A 15 7.147 4.575 10.302 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.940 3.887 9.233 1.00 0.00 H new ATOM 0 HD1 TRP A 15 9.664 4.456 9.569 1.00 0.00 H new ATOM 0 HE1 TRP A 15 10.938 3.280 7.653 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.685 3.168 6.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 10.280 1.961 5.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 6.039 1.954 4.505 1.00 0.00 H new ATOM 0 HH2 TRP A 15 8.329 1.348 3.775 1.00 0.00 H new ATOM 216 N LYS A 16 4.108 6.252 8.288 1.00 0.00 N ATOM 217 CA LYS A 16 2.694 6.589 8.630 1.00 0.00 C ATOM 218 C LYS A 16 1.754 5.539 8.030 1.00 0.00 C ATOM 219 O LYS A 16 2.065 4.922 7.031 1.00 0.00 O ATOM 220 CB LYS A 16 2.445 7.959 7.997 1.00 0.00 C ATOM 221 CG LYS A 16 3.224 9.031 8.763 1.00 0.00 C ATOM 222 CD LYS A 16 2.274 9.790 9.694 1.00 0.00 C ATOM 223 CE LYS A 16 1.794 11.068 9.001 1.00 0.00 C ATOM 224 NZ LYS A 16 2.923 12.029 9.138 1.00 0.00 N ATOM 0 H LYS A 16 4.265 5.988 7.315 1.00 0.00 H new ATOM 0 HA LYS A 16 2.517 6.605 9.705 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.754 7.949 6.952 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.380 8.189 8.012 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.024 8.570 9.341 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.694 9.723 8.064 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.422 9.162 9.953 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.782 10.038 10.626 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.558 10.884 7.953 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.888 11.454 9.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.633 12.820 9.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.741 11.546 9.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.185 12.393 8.200 1.00 0.00 H new ATOM 238 N ARG A 17 0.612 5.324 8.630 1.00 0.00 N ATOM 239 CA ARG A 17 -0.336 4.307 8.084 1.00 0.00 C ATOM 240 C ARG A 17 -1.784 4.803 8.178 1.00 0.00 C ATOM 241 O ARG A 17 -2.191 5.390 9.161 1.00 0.00 O ATOM 242 CB ARG A 17 -0.141 3.062 8.962 1.00 0.00 C ATOM 243 CG ARG A 17 -1.316 2.095 8.757 1.00 0.00 C ATOM 244 CD ARG A 17 -1.133 0.852 9.630 1.00 0.00 C ATOM 245 NE ARG A 17 -1.071 1.366 11.027 1.00 0.00 N ATOM 246 CZ ARG A 17 -2.089 1.203 11.828 1.00 0.00 C ATOM 247 NH1 ARG A 17 -3.293 1.501 11.424 1.00 0.00 N ATOM 248 NH2 ARG A 17 -1.901 0.743 13.036 1.00 0.00 N ATOM 0 H ARG A 17 0.296 5.806 9.471 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.143 4.103 7.031 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.797 2.569 8.707 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.074 3.352 10.011 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.253 2.591 9.009 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.380 1.806 7.708 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.961 0.155 9.503 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.222 0.315 9.366 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.233 1.845 11.358 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.440 1.862 10.481 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.087 1.373 12.051 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.959 0.512 13.353 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.696 0.615 13.663 1.00 0.00 H new ATOM 262 N ARG A 18 -2.566 4.540 7.166 1.00 0.00 N ATOM 263 CA ARG A 18 -3.995 4.957 7.186 1.00 0.00 C ATOM 264 C ARG A 18 -4.857 3.854 6.567 1.00 0.00 C ATOM 265 O ARG A 18 -4.435 3.165 5.660 1.00 0.00 O ATOM 266 CB ARG A 18 -4.063 6.239 6.349 1.00 0.00 C ATOM 267 CG ARG A 18 -5.527 6.609 6.070 1.00 0.00 C ATOM 268 CD ARG A 18 -6.273 6.827 7.390 1.00 0.00 C ATOM 269 NE ARG A 18 -7.675 6.405 7.117 1.00 0.00 N ATOM 270 CZ ARG A 18 -8.506 6.204 8.106 1.00 0.00 C ATOM 271 NH1 ARG A 18 -8.487 6.990 9.148 1.00 0.00 N ATOM 272 NH2 ARG A 18 -9.357 5.217 8.051 1.00 0.00 N ATOM 0 H ARG A 18 -2.273 4.050 6.321 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.364 5.129 8.197 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.568 7.054 6.877 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.530 6.098 5.409 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.573 7.513 5.463 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.008 5.816 5.497 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.833 6.237 8.194 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.229 7.871 7.700 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.988 6.272 6.155 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.823 7.763 9.192 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.136 6.831 9.918 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.374 4.603 7.237 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.006 5.059 8.822 1.00 0.00 H new ATOM 286 N GLU A 19 -6.058 3.678 7.050 1.00 0.00 N ATOM 287 CA GLU A 19 -6.939 2.616 6.486 1.00 0.00 C ATOM 288 C GLU A 19 -7.940 3.225 5.501 1.00 0.00 C ATOM 289 O GLU A 19 -8.636 4.172 5.812 1.00 0.00 O ATOM 290 CB GLU A 19 -7.662 2.016 7.693 1.00 0.00 C ATOM 291 CG GLU A 19 -7.062 0.644 8.019 1.00 0.00 C ATOM 292 CD GLU A 19 -7.722 0.087 9.280 1.00 0.00 C ATOM 293 OE1 GLU A 19 -8.023 0.871 10.165 1.00 0.00 O ATOM 294 OE2 GLU A 19 -7.918 -1.116 9.340 1.00 0.00 O ATOM 0 H GLU A 19 -6.466 4.223 7.809 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.376 1.862 5.936 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.568 2.679 8.553 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.727 1.918 7.481 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.214 -0.039 7.184 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.986 0.732 8.167 1.00 0.00 H new ATOM 301 N VAL A 20 -8.011 2.689 4.313 1.00 0.00 N ATOM 302 CA VAL A 20 -8.959 3.230 3.295 1.00 0.00 C ATOM 303 C VAL A 20 -10.151 2.283 3.141 1.00 0.00 C ATOM 304 O VAL A 20 -10.044 1.238 2.532 1.00 0.00 O ATOM 305 CB VAL A 20 -8.161 3.288 1.989 1.00 0.00 C ATOM 306 CG1 VAL A 20 -8.944 4.092 0.949 1.00 0.00 C ATOM 307 CG2 VAL A 20 -6.809 3.960 2.235 1.00 0.00 C ATOM 0 H VAL A 20 -7.451 1.896 4.001 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.350 4.208 3.576 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.998 2.274 1.624 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.377 4.134 0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.905 3.612 0.766 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.108 5.104 1.320 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.246 3.998 1.302 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.968 4.973 2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.248 3.388 2.974 1.00 0.00 H new ATOM 317 N PHE A 21 -11.285 2.639 3.683 1.00 0.00 N ATOM 318 CA PHE A 21 -12.482 1.752 3.566 1.00 0.00 C ATOM 319 C PHE A 21 -13.193 1.981 2.227 1.00 0.00 C ATOM 320 O PHE A 21 -14.402 2.087 2.171 1.00 0.00 O ATOM 321 CB PHE A 21 -13.388 2.157 4.733 1.00 0.00 C ATOM 322 CG PHE A 21 -13.677 0.950 5.594 1.00 0.00 C ATOM 323 CD1 PHE A 21 -14.251 -0.194 5.026 1.00 0.00 C ATOM 324 CD2 PHE A 21 -13.373 0.974 6.960 1.00 0.00 C ATOM 325 CE1 PHE A 21 -14.520 -1.313 5.824 1.00 0.00 C ATOM 326 CE2 PHE A 21 -13.640 -0.144 7.758 1.00 0.00 C ATOM 327 CZ PHE A 21 -14.215 -1.287 7.190 1.00 0.00 C ATOM 0 H PHE A 21 -11.436 3.504 4.201 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.215 0.696 3.601 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -12.907 2.933 5.328 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -14.320 2.577 4.354 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -14.486 -0.213 3.972 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.932 1.857 7.399 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -14.962 -2.195 5.386 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -13.403 -0.125 8.811 1.00 0.00 H new ATOM 0 HZ PHE A 21 -14.423 -2.149 7.806 1.00 0.00 H new ATOM 337 N ARG A 22 -12.452 2.042 1.146 1.00 0.00 N ATOM 338 CA ARG A 22 -13.075 2.254 -0.198 1.00 0.00 C ATOM 339 C ARG A 22 -14.030 3.454 -0.182 1.00 0.00 C ATOM 340 O ARG A 22 -14.339 4.007 0.854 1.00 0.00 O ATOM 341 CB ARG A 22 -13.852 0.971 -0.467 1.00 0.00 C ATOM 342 CG ARG A 22 -13.016 0.037 -1.341 1.00 0.00 C ATOM 343 CD ARG A 22 -12.917 0.609 -2.757 1.00 0.00 C ATOM 344 NE ARG A 22 -11.466 0.570 -3.092 1.00 0.00 N ATOM 345 CZ ARG A 22 -10.848 -0.570 -3.247 1.00 0.00 C ATOM 346 NH1 ARG A 22 -10.292 -1.160 -2.224 1.00 0.00 N ATOM 347 NH2 ARG A 22 -10.771 -1.113 -4.429 1.00 0.00 N ATOM 0 H ARG A 22 -11.436 1.953 1.138 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.327 2.464 -0.962 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.099 0.480 0.474 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.795 1.202 -0.963 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -12.020 -0.081 -0.915 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.470 -0.954 -1.369 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.500 0.017 -3.463 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.304 1.627 -2.799 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.950 1.443 -3.201 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.339 -0.731 -1.300 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.810 -2.050 -2.349 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.193 -0.648 -5.232 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.288 -2.003 -4.551 1.00 0.00 H new ATOM 361 N LYS A 23 -14.501 3.858 -1.331 1.00 0.00 N ATOM 362 CA LYS A 23 -15.440 5.013 -1.388 1.00 0.00 C ATOM 363 C LYS A 23 -16.617 4.704 -2.318 1.00 0.00 C ATOM 364 O LYS A 23 -17.736 5.102 -2.055 1.00 0.00 O ATOM 365 CB LYS A 23 -14.615 6.174 -1.941 1.00 0.00 C ATOM 366 CG LYS A 23 -15.162 7.495 -1.391 1.00 0.00 C ATOM 367 CD LYS A 23 -14.304 7.958 -0.208 1.00 0.00 C ATOM 368 CE LYS A 23 -14.228 6.846 0.843 1.00 0.00 C ATOM 369 NZ LYS A 23 -13.666 7.500 2.057 1.00 0.00 N ATOM 0 H LYS A 23 -14.275 3.437 -2.232 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.862 5.241 -0.409 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.568 6.056 -1.661 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.655 6.177 -3.030 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -15.160 8.254 -2.173 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.197 7.367 -1.074 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.302 8.215 -0.552 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.731 8.859 0.232 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -15.213 6.424 1.042 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.592 6.027 0.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.584 6.800 2.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.725 7.887 1.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -14.296 8.271 2.359 1.00 0.00 H new ATOM 383 N SER A 24 -16.381 3.994 -3.400 1.00 0.00 N ATOM 384 CA SER A 24 -17.500 3.661 -4.348 1.00 0.00 C ATOM 385 C SER A 24 -16.960 2.987 -5.615 1.00 0.00 C ATOM 386 O SER A 24 -15.799 2.644 -5.705 1.00 0.00 O ATOM 387 CB SER A 24 -18.150 5.003 -4.709 1.00 0.00 C ATOM 388 OG SER A 24 -19.011 4.828 -5.826 1.00 0.00 O ATOM 0 H SER A 24 -15.466 3.632 -3.668 1.00 0.00 H new ATOM 0 HA SER A 24 -18.209 2.969 -3.893 1.00 0.00 H new ATOM 0 HB2 SER A 24 -18.714 5.386 -3.859 1.00 0.00 H new ATOM 0 HB3 SER A 24 -17.382 5.741 -4.941 1.00 0.00 H new ATOM 0 HG SER A 24 -19.427 5.685 -6.055 1.00 0.00 H new ATOM 394 N GLY A 25 -17.808 2.802 -6.596 1.00 0.00 N ATOM 395 CA GLY A 25 -17.370 2.158 -7.867 1.00 0.00 C ATOM 396 C GLY A 25 -17.858 0.709 -7.898 1.00 0.00 C ATOM 397 O GLY A 25 -18.971 0.419 -8.288 1.00 0.00 O ATOM 0 H GLY A 25 -18.791 3.072 -6.568 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.769 2.706 -8.721 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.283 2.189 -7.947 1.00 0.00 H new ATOM 401 N ALA A 26 -17.021 -0.193 -7.481 1.00 0.00 N ATOM 402 CA ALA A 26 -17.396 -1.637 -7.463 1.00 0.00 C ATOM 403 C ALA A 26 -16.718 -2.300 -6.266 1.00 0.00 C ATOM 404 O ALA A 26 -17.318 -3.048 -5.520 1.00 0.00 O ATOM 405 CB ALA A 26 -16.851 -2.200 -8.775 1.00 0.00 C ATOM 0 H ALA A 26 -16.079 0.008 -7.146 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.469 -1.806 -7.374 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.086 -3.262 -8.840 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.308 -1.675 -9.614 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -15.770 -2.065 -8.808 1.00 0.00 H new ATOM 411 N THR A 27 -15.467 -1.994 -6.078 1.00 0.00 N ATOM 412 CA THR A 27 -14.701 -2.549 -4.931 1.00 0.00 C ATOM 413 C THR A 27 -15.167 -1.890 -3.626 1.00 0.00 C ATOM 414 O THR A 27 -14.732 -2.250 -2.552 1.00 0.00 O ATOM 415 CB THR A 27 -13.247 -2.172 -5.232 1.00 0.00 C ATOM 416 OG1 THR A 27 -13.158 -0.769 -5.448 1.00 0.00 O ATOM 417 CG2 THR A 27 -12.771 -2.916 -6.485 1.00 0.00 C ATOM 0 H THR A 27 -14.933 -1.370 -6.683 1.00 0.00 H new ATOM 0 HA THR A 27 -14.834 -3.624 -4.811 1.00 0.00 H new ATOM 0 HB THR A 27 -12.617 -2.451 -4.387 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.814 -0.598 -6.350 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.736 -2.646 -6.697 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.839 -3.991 -6.318 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.399 -2.640 -7.332 1.00 0.00 H new ATOM 425 N CYS A 28 -16.042 -0.915 -3.722 1.00 0.00 N ATOM 426 CA CYS A 28 -16.543 -0.204 -2.507 1.00 0.00 C ATOM 427 C CYS A 28 -16.832 -1.179 -1.358 1.00 0.00 C ATOM 428 O CYS A 28 -17.401 -2.235 -1.554 1.00 0.00 O ATOM 429 CB CYS A 28 -17.834 0.486 -2.955 1.00 0.00 C ATOM 430 SG CYS A 28 -19.028 -0.750 -3.530 1.00 0.00 S ATOM 0 H CYS A 28 -16.433 -0.580 -4.602 1.00 0.00 H new ATOM 0 HA CYS A 28 -15.802 0.499 -2.127 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -18.258 1.056 -2.128 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -17.619 1.195 -3.754 1.00 0.00 H new ATOM 0 HG CYS A 28 -18.747 -1.904 -3.001 1.00 0.00 H new ATOM 436 N GLY A 29 -16.454 -0.818 -0.160 1.00 0.00 N ATOM 437 CA GLY A 29 -16.719 -1.710 1.008 1.00 0.00 C ATOM 438 C GLY A 29 -15.421 -2.366 1.494 1.00 0.00 C ATOM 439 O GLY A 29 -15.365 -2.900 2.584 1.00 0.00 O ATOM 0 H GLY A 29 -15.974 0.055 0.060 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.167 -1.134 1.818 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.439 -2.479 0.729 1.00 0.00 H new ATOM 443 N ARG A 30 -14.381 -2.339 0.703 1.00 0.00 N ATOM 444 CA ARG A 30 -13.099 -2.972 1.138 1.00 0.00 C ATOM 445 C ARG A 30 -12.299 -2.006 2.018 1.00 0.00 C ATOM 446 O ARG A 30 -12.583 -0.825 2.078 1.00 0.00 O ATOM 447 CB ARG A 30 -12.339 -3.275 -0.153 1.00 0.00 C ATOM 448 CG ARG A 30 -12.798 -4.623 -0.712 1.00 0.00 C ATOM 449 CD ARG A 30 -11.771 -5.133 -1.728 1.00 0.00 C ATOM 450 NE ARG A 30 -12.364 -6.383 -2.282 1.00 0.00 N ATOM 451 CZ ARG A 30 -11.684 -7.109 -3.126 1.00 0.00 C ATOM 452 NH1 ARG A 30 -10.511 -7.573 -2.790 1.00 0.00 N ATOM 453 NH2 ARG A 30 -12.176 -7.373 -4.305 1.00 0.00 N ATOM 0 H ARG A 30 -14.362 -1.908 -0.221 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.269 -3.872 1.729 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.516 -2.487 -0.885 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.266 -3.296 0.040 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.913 -5.344 0.097 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -13.774 -4.518 -1.187 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.594 -4.398 -2.513 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.810 -5.329 -1.253 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.301 -6.671 -2.001 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.126 -7.368 -1.868 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.979 -8.141 -3.450 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.093 -7.012 -4.568 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.644 -7.941 -4.964 1.00 0.00 H new ATOM 467 N SER A 31 -11.301 -2.502 2.701 1.00 0.00 N ATOM 468 CA SER A 31 -10.480 -1.618 3.578 1.00 0.00 C ATOM 469 C SER A 31 -8.990 -1.816 3.289 1.00 0.00 C ATOM 470 O SER A 31 -8.361 -2.717 3.810 1.00 0.00 O ATOM 471 CB SER A 31 -10.814 -2.051 5.004 1.00 0.00 C ATOM 472 OG SER A 31 -10.808 -3.471 5.079 1.00 0.00 O ATOM 0 H SER A 31 -11.019 -3.482 2.689 1.00 0.00 H new ATOM 0 HA SER A 31 -10.695 -0.562 3.413 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.087 -1.636 5.702 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.791 -1.664 5.294 1.00 0.00 H new ATOM 0 HG SER A 31 -9.948 -3.812 4.755 1.00 0.00 H new ATOM 478 N ASP A 32 -8.421 -0.976 2.466 1.00 0.00 N ATOM 479 CA ASP A 32 -6.970 -1.107 2.144 1.00 0.00 C ATOM 480 C ASP A 32 -6.160 -0.112 2.969 1.00 0.00 C ATOM 481 O ASP A 32 -6.421 1.074 2.960 1.00 0.00 O ATOM 482 CB ASP A 32 -6.863 -0.791 0.652 1.00 0.00 C ATOM 483 CG ASP A 32 -7.347 -1.993 -0.161 1.00 0.00 C ATOM 484 OD1 ASP A 32 -8.473 -2.412 0.051 1.00 0.00 O ATOM 485 OD2 ASP A 32 -6.583 -2.475 -0.981 1.00 0.00 O ATOM 0 H ASP A 32 -8.899 -0.204 2.002 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.581 -2.099 2.374 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.461 0.088 0.412 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.831 -0.555 0.393 1.00 0.00 H new ATOM 490 N THR A 33 -5.173 -0.584 3.682 1.00 0.00 N ATOM 491 CA THR A 33 -4.349 0.337 4.512 1.00 0.00 C ATOM 492 C THR A 33 -3.062 0.693 3.770 1.00 0.00 C ATOM 493 O THR A 33 -2.309 -0.168 3.359 1.00 0.00 O ATOM 494 CB THR A 33 -4.040 -0.447 5.790 1.00 0.00 C ATOM 495 OG1 THR A 33 -5.256 -0.786 6.440 1.00 0.00 O ATOM 496 CG2 THR A 33 -3.184 0.411 6.725 1.00 0.00 C ATOM 0 H THR A 33 -4.903 -1.567 3.725 1.00 0.00 H new ATOM 0 HA THR A 33 -4.861 1.274 4.730 1.00 0.00 H new ATOM 0 HB THR A 33 -3.496 -1.356 5.535 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.061 -1.290 7.258 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.965 -0.149 7.634 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.251 0.672 6.226 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.726 1.321 6.981 1.00 0.00 H new ATOM 504 N TYR A 34 -2.813 1.960 3.589 1.00 0.00 N ATOM 505 CA TYR A 34 -1.583 2.386 2.866 1.00 0.00 C ATOM 506 C TYR A 34 -0.593 3.011 3.848 1.00 0.00 C ATOM 507 O TYR A 34 -0.977 3.546 4.871 1.00 0.00 O ATOM 508 CB TYR A 34 -2.065 3.417 1.850 1.00 0.00 C ATOM 509 CG TYR A 34 -2.995 2.745 0.872 1.00 0.00 C ATOM 510 CD1 TYR A 34 -4.305 2.429 1.250 1.00 0.00 C ATOM 511 CD2 TYR A 34 -2.544 2.432 -0.413 1.00 0.00 C ATOM 512 CE1 TYR A 34 -5.163 1.804 0.342 1.00 0.00 C ATOM 513 CE2 TYR A 34 -3.401 1.805 -1.322 1.00 0.00 C ATOM 514 CZ TYR A 34 -4.711 1.491 -0.946 1.00 0.00 C ATOM 515 OH TYR A 34 -5.558 0.872 -1.843 1.00 0.00 O ATOM 0 H TYR A 34 -3.411 2.721 3.912 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.068 1.554 2.385 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.578 4.234 2.357 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.216 3.852 1.324 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.653 2.668 2.244 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.533 2.675 -0.704 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.175 1.562 0.633 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.052 1.563 -2.315 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.088 0.727 -2.690 1.00 0.00 H new ATOM 525 N TYR A 35 0.677 2.945 3.556 1.00 0.00 N ATOM 526 CA TYR A 35 1.684 3.534 4.488 1.00 0.00 C ATOM 527 C TYR A 35 2.791 4.239 3.701 1.00 0.00 C ATOM 528 O TYR A 35 3.196 3.794 2.645 1.00 0.00 O ATOM 529 CB TYR A 35 2.271 2.358 5.290 1.00 0.00 C ATOM 530 CG TYR A 35 1.451 1.102 5.086 1.00 0.00 C ATOM 531 CD1 TYR A 35 1.627 0.332 3.931 1.00 0.00 C ATOM 532 CD2 TYR A 35 0.517 0.711 6.052 1.00 0.00 C ATOM 533 CE1 TYR A 35 0.870 -0.829 3.741 1.00 0.00 C ATOM 534 CE2 TYR A 35 -0.240 -0.451 5.863 1.00 0.00 C ATOM 535 CZ TYR A 35 -0.064 -1.221 4.707 1.00 0.00 C ATOM 536 OH TYR A 35 -0.811 -2.365 4.519 1.00 0.00 O ATOM 0 H TYR A 35 1.061 2.511 2.717 1.00 0.00 H new ATOM 0 HA TYR A 35 1.227 4.275 5.144 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.301 2.179 4.980 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.297 2.612 6.350 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.348 0.634 3.186 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.380 1.306 6.943 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.006 -1.423 2.849 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.960 -0.754 6.609 1.00 0.00 H new ATOM 0 HH TYR A 35 -0.543 -2.797 3.681 1.00 0.00 H new ATOM 546 N GLN A 36 3.290 5.329 4.217 1.00 0.00 N ATOM 547 CA GLN A 36 4.383 6.060 3.512 1.00 0.00 C ATOM 548 C GLN A 36 5.697 5.870 4.271 1.00 0.00 C ATOM 549 O GLN A 36 5.707 5.706 5.477 1.00 0.00 O ATOM 550 CB GLN A 36 3.960 7.532 3.525 1.00 0.00 C ATOM 551 CG GLN A 36 5.011 8.380 2.798 1.00 0.00 C ATOM 552 CD GLN A 36 5.071 9.772 3.429 1.00 0.00 C ATOM 553 OE1 GLN A 36 4.814 10.761 2.772 1.00 0.00 O ATOM 554 NE2 GLN A 36 5.405 9.892 4.685 1.00 0.00 N ATOM 0 H GLN A 36 2.988 5.746 5.098 1.00 0.00 H new ATOM 0 HA GLN A 36 4.539 5.699 2.495 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.990 7.646 3.041 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.847 7.878 4.552 1.00 0.00 H new ATOM 0 HG2 GLN A 36 5.987 7.899 2.860 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.761 8.459 1.740 1.00 0.00 H new ATOM 0 HE21 GLN A 36 5.621 9.062 5.237 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.450 10.816 5.115 1.00 0.00 H new ATOM 563 N SER A 37 6.803 5.889 3.575 1.00 0.00 N ATOM 564 CA SER A 37 8.122 5.709 4.252 1.00 0.00 C ATOM 565 C SER A 37 8.280 6.730 5.385 1.00 0.00 C ATOM 566 O SER A 37 7.373 7.492 5.656 1.00 0.00 O ATOM 567 CB SER A 37 9.156 5.940 3.157 1.00 0.00 C ATOM 568 OG SER A 37 9.340 7.337 2.965 1.00 0.00 O ATOM 0 H SER A 37 6.850 6.022 2.565 1.00 0.00 H new ATOM 0 HA SER A 37 8.229 4.724 4.707 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.102 5.472 3.431 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.827 5.475 2.228 1.00 0.00 H new ATOM 0 HG SER A 37 10.281 7.518 2.761 1.00 0.00 H new ATOM 574 N PRO A 38 9.418 6.705 6.030 1.00 0.00 N ATOM 575 CA PRO A 38 9.654 7.629 7.150 1.00 0.00 C ATOM 576 C PRO A 38 10.153 8.994 6.677 1.00 0.00 C ATOM 577 O PRO A 38 10.356 9.884 7.482 1.00 0.00 O ATOM 578 CB PRO A 38 10.723 6.924 7.973 1.00 0.00 C ATOM 579 CG PRO A 38 11.448 6.032 7.012 1.00 0.00 C ATOM 580 CD PRO A 38 10.572 5.835 5.794 1.00 0.00 C ATOM 0 HA PRO A 38 8.741 7.837 7.708 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.403 7.643 8.430 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.277 6.347 8.783 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.401 6.477 6.726 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.671 5.073 7.479 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.096 6.110 4.879 1.00 0.00 H new ATOM 0 HD3 PRO A 38 10.269 4.793 5.687 1.00 0.00 H new ATOM 588 N THR A 39 10.369 9.190 5.400 1.00 0.00 N ATOM 589 CA THR A 39 10.869 10.529 4.969 1.00 0.00 C ATOM 590 C THR A 39 10.779 10.751 3.451 1.00 0.00 C ATOM 591 O THR A 39 11.429 11.632 2.922 1.00 0.00 O ATOM 592 CB THR A 39 12.322 10.556 5.442 1.00 0.00 C ATOM 593 OG1 THR A 39 12.898 11.818 5.133 1.00 0.00 O ATOM 594 CG2 THR A 39 13.113 9.445 4.749 1.00 0.00 C ATOM 0 H THR A 39 10.226 8.504 4.659 1.00 0.00 H new ATOM 0 HA THR A 39 10.262 11.329 5.393 1.00 0.00 H new ATOM 0 HB THR A 39 12.353 10.398 6.520 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.546 12.137 4.276 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.148 9.469 5.090 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.673 8.478 4.993 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.083 9.595 3.670 1.00 0.00 H new ATOM 602 N GLY A 40 9.969 10.005 2.742 1.00 0.00 N ATOM 603 CA GLY A 40 9.858 10.258 1.271 1.00 0.00 C ATOM 604 C GLY A 40 9.782 8.957 0.466 1.00 0.00 C ATOM 605 O GLY A 40 10.760 8.504 -0.093 1.00 0.00 O ATOM 0 H GLY A 40 9.391 9.248 3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.970 10.859 1.073 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.717 10.840 0.938 1.00 0.00 H new ATOM 609 N ASP A 41 8.612 8.379 0.376 1.00 0.00 N ATOM 610 CA ASP A 41 8.414 7.125 -0.422 1.00 0.00 C ATOM 611 C ASP A 41 7.019 6.565 -0.135 1.00 0.00 C ATOM 612 O ASP A 41 6.748 6.071 0.942 1.00 0.00 O ATOM 613 CB ASP A 41 9.499 6.134 0.022 1.00 0.00 C ATOM 614 CG ASP A 41 10.390 5.784 -1.174 1.00 0.00 C ATOM 615 OD1 ASP A 41 11.164 6.634 -1.583 1.00 0.00 O ATOM 616 OD2 ASP A 41 10.282 4.671 -1.661 1.00 0.00 O ATOM 0 H ASP A 41 7.768 8.728 0.830 1.00 0.00 H new ATOM 0 HA ASP A 41 8.491 7.311 -1.493 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.099 6.569 0.821 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.040 5.231 0.424 1.00 0.00 H new ATOM 621 N ARG A 42 6.129 6.658 -1.086 1.00 0.00 N ATOM 622 CA ARG A 42 4.743 6.152 -0.866 1.00 0.00 C ATOM 623 C ARG A 42 4.687 4.632 -1.023 1.00 0.00 C ATOM 624 O ARG A 42 5.140 4.078 -2.006 1.00 0.00 O ATOM 625 CB ARG A 42 3.896 6.837 -1.941 1.00 0.00 C ATOM 626 CG ARG A 42 2.514 7.177 -1.373 1.00 0.00 C ATOM 627 CD ARG A 42 2.660 8.156 -0.204 1.00 0.00 C ATOM 628 NE ARG A 42 2.056 9.429 -0.683 1.00 0.00 N ATOM 629 CZ ARG A 42 1.107 10.002 0.005 1.00 0.00 C ATOM 630 NH1 ARG A 42 1.180 10.045 1.308 1.00 0.00 N ATOM 631 NH2 ARG A 42 0.084 10.531 -0.608 1.00 0.00 N ATOM 0 H ARG A 42 6.302 7.063 -2.006 1.00 0.00 H new ATOM 0 HA ARG A 42 4.385 6.371 0.140 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.392 7.745 -2.284 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.793 6.183 -2.807 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.889 7.616 -2.151 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.015 6.268 -1.038 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.148 7.787 0.685 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.707 8.294 0.066 1.00 0.00 H new ATOM 0 HE ARG A 42 2.384 9.854 -1.550 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.979 9.631 1.788 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.438 10.493 1.846 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.026 10.497 -1.626 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.658 10.979 -0.069 1.00 0.00 H new ATOM 645 N ILE A 43 4.125 3.959 -0.057 1.00 0.00 N ATOM 646 CA ILE A 43 4.021 2.475 -0.126 1.00 0.00 C ATOM 647 C ILE A 43 2.574 2.054 0.144 1.00 0.00 C ATOM 648 O ILE A 43 1.844 2.729 0.845 1.00 0.00 O ATOM 649 CB ILE A 43 4.977 1.973 0.963 1.00 0.00 C ATOM 650 CG1 ILE A 43 6.402 1.982 0.408 1.00 0.00 C ATOM 651 CG2 ILE A 43 4.610 0.547 1.393 1.00 0.00 C ATOM 652 CD1 ILE A 43 7.400 1.920 1.561 1.00 0.00 C ATOM 0 H ILE A 43 3.730 4.378 0.785 1.00 0.00 H new ATOM 0 HA ILE A 43 4.284 2.063 -1.100 1.00 0.00 H new ATOM 0 HB ILE A 43 4.901 2.627 1.832 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.549 1.133 -0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.568 2.883 -0.182 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.301 0.211 2.166 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.593 0.536 1.785 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.675 -0.120 0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.415 1.926 1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.259 2.783 2.211 1.00 0.00 H new ATOM 0 HD13 ILE A 43 7.240 1.006 2.132 1.00 0.00 H new ATOM 664 N ARG A 44 2.147 0.956 -0.418 1.00 0.00 N ATOM 665 CA ARG A 44 0.737 0.513 -0.205 1.00 0.00 C ATOM 666 C ARG A 44 0.681 -0.936 0.296 1.00 0.00 C ATOM 667 O ARG A 44 -0.373 -1.432 0.643 1.00 0.00 O ATOM 668 CB ARG A 44 0.070 0.624 -1.581 1.00 0.00 C ATOM 669 CG ARG A 44 0.481 1.926 -2.265 1.00 0.00 C ATOM 670 CD ARG A 44 -0.172 1.997 -3.642 1.00 0.00 C ATOM 671 NE ARG A 44 0.099 3.379 -4.107 1.00 0.00 N ATOM 672 CZ ARG A 44 0.960 3.596 -5.066 1.00 0.00 C ATOM 673 NH1 ARG A 44 1.024 2.783 -6.085 1.00 0.00 N ATOM 674 NH2 ARG A 44 1.757 4.627 -5.004 1.00 0.00 N ATOM 0 H ARG A 44 2.710 0.348 -1.013 1.00 0.00 H new ATOM 0 HA ARG A 44 0.237 1.121 0.549 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.355 -0.226 -2.201 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.014 0.589 -1.471 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.176 2.780 -1.660 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.566 1.974 -2.361 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.253 1.258 -4.322 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.242 1.799 -3.585 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.389 4.164 -3.676 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.401 1.977 -6.134 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.697 2.954 -6.832 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.708 5.263 -4.208 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.429 4.797 -5.752 1.00 0.00 H new ATOM 688 N SER A 45 1.795 -1.623 0.338 1.00 0.00 N ATOM 689 CA SER A 45 1.772 -3.036 0.818 1.00 0.00 C ATOM 690 C SER A 45 3.117 -3.402 1.452 1.00 0.00 C ATOM 691 O SER A 45 3.912 -2.539 1.774 1.00 0.00 O ATOM 692 CB SER A 45 1.510 -3.869 -0.435 1.00 0.00 C ATOM 693 OG SER A 45 0.108 -3.990 -0.633 1.00 0.00 O ATOM 0 H SER A 45 2.711 -1.269 0.063 1.00 0.00 H new ATOM 0 HA SER A 45 1.014 -3.206 1.582 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.972 -3.398 -1.302 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.961 -4.856 -0.331 1.00 0.00 H new ATOM 0 HG SER A 45 -0.064 -4.523 -1.437 1.00 0.00 H new ATOM 699 N LYS A 46 3.381 -4.669 1.640 1.00 0.00 N ATOM 700 CA LYS A 46 4.676 -5.071 2.259 1.00 0.00 C ATOM 701 C LYS A 46 5.790 -5.042 1.214 1.00 0.00 C ATOM 702 O LYS A 46 6.852 -4.500 1.451 1.00 0.00 O ATOM 703 CB LYS A 46 4.457 -6.488 2.783 1.00 0.00 C ATOM 704 CG LYS A 46 5.340 -6.708 4.011 1.00 0.00 C ATOM 705 CD LYS A 46 5.009 -8.059 4.644 1.00 0.00 C ATOM 706 CE LYS A 46 5.988 -9.112 4.124 1.00 0.00 C ATOM 707 NZ LYS A 46 5.399 -10.421 4.525 1.00 0.00 N ATOM 0 H LYS A 46 2.758 -5.438 1.393 1.00 0.00 H new ATOM 0 HA LYS A 46 4.976 -4.394 3.059 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.409 -6.635 3.042 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.700 -7.217 2.010 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.392 -6.676 3.726 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.181 -5.908 4.734 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.073 -7.991 5.730 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.986 -8.346 4.403 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.101 -9.045 3.042 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.979 -8.977 4.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.159 -11.120 4.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.882 -10.309 5.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.744 -10.748 3.786 1.00 0.00 H new ATOM 721 N VAL A 47 5.558 -5.602 0.052 1.00 0.00 N ATOM 722 CA VAL A 47 6.614 -5.577 -1.000 1.00 0.00 C ATOM 723 C VAL A 47 7.046 -4.125 -1.228 1.00 0.00 C ATOM 724 O VAL A 47 8.220 -3.813 -1.219 1.00 0.00 O ATOM 725 CB VAL A 47 5.948 -6.167 -2.240 1.00 0.00 C ATOM 726 CG1 VAL A 47 6.726 -5.772 -3.496 1.00 0.00 C ATOM 727 CG2 VAL A 47 5.912 -7.692 -2.124 1.00 0.00 C ATOM 0 H VAL A 47 4.691 -6.071 -0.209 1.00 0.00 H new ATOM 0 HA VAL A 47 7.508 -6.141 -0.735 1.00 0.00 H new ATOM 0 HB VAL A 47 4.932 -5.779 -2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.241 -6.199 -4.374 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.746 -4.686 -3.585 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.746 -6.149 -3.426 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.436 -8.113 -3.010 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.929 -8.075 -2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.345 -7.976 -1.238 1.00 0.00 H new ATOM 737 N GLU A 48 6.101 -3.228 -1.397 1.00 0.00 N ATOM 738 CA GLU A 48 6.466 -1.791 -1.580 1.00 0.00 C ATOM 739 C GLU A 48 7.369 -1.379 -0.419 1.00 0.00 C ATOM 740 O GLU A 48 8.315 -0.628 -0.573 1.00 0.00 O ATOM 741 CB GLU A 48 5.144 -1.020 -1.539 1.00 0.00 C ATOM 742 CG GLU A 48 4.861 -0.411 -2.916 1.00 0.00 C ATOM 743 CD GLU A 48 5.922 0.643 -3.237 1.00 0.00 C ATOM 744 OE1 GLU A 48 6.060 1.572 -2.458 1.00 0.00 O ATOM 745 OE2 GLU A 48 6.579 0.503 -4.256 1.00 0.00 O ATOM 0 H GLU A 48 5.101 -3.430 -1.416 1.00 0.00 H new ATOM 0 HA GLU A 48 6.996 -1.598 -2.513 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.331 -1.687 -1.251 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.193 -0.234 -0.786 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.866 -1.191 -3.678 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.869 0.041 -2.928 1.00 0.00 H new ATOM 752 N LEU A 49 7.088 -1.909 0.742 1.00 0.00 N ATOM 753 CA LEU A 49 7.926 -1.611 1.933 1.00 0.00 C ATOM 754 C LEU A 49 9.297 -2.251 1.731 1.00 0.00 C ATOM 755 O LEU A 49 10.325 -1.614 1.857 1.00 0.00 O ATOM 756 CB LEU A 49 7.191 -2.276 3.103 1.00 0.00 C ATOM 757 CG LEU A 49 7.109 -1.316 4.290 1.00 0.00 C ATOM 758 CD1 LEU A 49 5.817 -0.504 4.197 1.00 0.00 C ATOM 759 CD2 LEU A 49 7.106 -2.123 5.591 1.00 0.00 C ATOM 0 H LEU A 49 6.306 -2.541 0.914 1.00 0.00 H new ATOM 0 HA LEU A 49 8.073 -0.545 2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.188 -2.568 2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.712 -3.187 3.398 1.00 0.00 H new ATOM 0 HG LEU A 49 7.966 -0.642 4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.756 0.181 5.042 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.811 0.065 3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.961 -1.179 4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.048 -1.443 6.441 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.246 -2.792 5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.023 -2.709 5.658 1.00 0.00 H new ATOM 771 N THR A 50 9.304 -3.513 1.402 1.00 0.00 N ATOM 772 CA THR A 50 10.587 -4.232 1.166 1.00 0.00 C ATOM 773 C THR A 50 11.401 -3.520 0.076 1.00 0.00 C ATOM 774 O THR A 50 12.601 -3.682 -0.017 1.00 0.00 O ATOM 775 CB THR A 50 10.162 -5.630 0.705 1.00 0.00 C ATOM 776 OG1 THR A 50 9.405 -6.251 1.734 1.00 0.00 O ATOM 777 CG2 THR A 50 11.400 -6.475 0.406 1.00 0.00 C ATOM 0 H THR A 50 8.466 -4.083 1.285 1.00 0.00 H new ATOM 0 HA THR A 50 11.220 -4.267 2.053 1.00 0.00 H new ATOM 0 HB THR A 50 9.558 -5.545 -0.199 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.129 -7.145 1.443 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.092 -7.468 0.079 1.00 0.00 H new ATOM 0 HG22 THR A 50 11.984 -5.998 -0.381 1.00 0.00 H new ATOM 0 HG23 THR A 50 12.007 -6.562 1.307 1.00 0.00 H new ATOM 785 N ARG A 51 10.757 -2.734 -0.748 1.00 0.00 N ATOM 786 CA ARG A 51 11.496 -2.016 -1.828 1.00 0.00 C ATOM 787 C ARG A 51 12.305 -0.859 -1.238 1.00 0.00 C ATOM 788 O ARG A 51 13.511 -0.799 -1.378 1.00 0.00 O ATOM 789 CB ARG A 51 10.415 -1.486 -2.771 1.00 0.00 C ATOM 790 CG ARG A 51 9.551 -2.649 -3.267 1.00 0.00 C ATOM 791 CD ARG A 51 9.754 -2.842 -4.773 1.00 0.00 C ATOM 792 NE ARG A 51 8.538 -2.257 -5.406 1.00 0.00 N ATOM 793 CZ ARG A 51 8.313 -2.440 -6.678 1.00 0.00 C ATOM 794 NH1 ARG A 51 9.191 -2.048 -7.560 1.00 0.00 N ATOM 795 NH2 ARG A 51 7.207 -3.014 -7.067 1.00 0.00 N ATOM 0 H ARG A 51 9.753 -2.559 -0.719 1.00 0.00 H new ATOM 0 HA ARG A 51 12.201 -2.667 -2.344 1.00 0.00 H new ATOM 0 HB2 ARG A 51 9.795 -0.753 -2.254 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.875 -0.975 -3.617 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.816 -3.563 -2.735 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.501 -2.450 -3.055 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.658 -2.339 -5.117 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.861 -3.897 -5.025 1.00 0.00 H new ATOM 0 HE ARG A 51 7.882 -1.714 -4.845 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.054 -1.598 -7.255 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.014 -2.192 -8.554 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.520 -3.319 -6.377 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.029 -3.158 -8.061 1.00 0.00 H new ATOM 809 N TYR A 52 11.652 0.063 -0.578 1.00 0.00 N ATOM 810 CA TYR A 52 12.392 1.217 0.020 1.00 0.00 C ATOM 811 C TYR A 52 13.284 0.744 1.174 1.00 0.00 C ATOM 812 O TYR A 52 14.113 1.483 1.669 1.00 0.00 O ATOM 813 CB TYR A 52 11.305 2.169 0.534 1.00 0.00 C ATOM 814 CG TYR A 52 11.869 3.567 0.692 1.00 0.00 C ATOM 815 CD1 TYR A 52 12.688 4.118 -0.305 1.00 0.00 C ATOM 816 CD2 TYR A 52 11.567 4.318 1.838 1.00 0.00 C ATOM 817 CE1 TYR A 52 13.202 5.411 -0.157 1.00 0.00 C ATOM 818 CE2 TYR A 52 12.082 5.612 1.984 1.00 0.00 C ATOM 819 CZ TYR A 52 12.899 6.158 0.987 1.00 0.00 C ATOM 820 OH TYR A 52 13.405 7.434 1.132 1.00 0.00 O ATOM 0 H TYR A 52 10.643 0.068 -0.427 1.00 0.00 H new ATOM 0 HA TYR A 52 13.047 1.701 -0.705 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.465 2.184 -0.161 1.00 0.00 H new ATOM 0 HB3 TYR A 52 10.921 1.813 1.490 1.00 0.00 H new ATOM 0 HD1 TYR A 52 12.922 3.543 -1.189 1.00 0.00 H new ATOM 0 HD2 TYR A 52 10.937 3.898 2.608 1.00 0.00 H new ATOM 0 HE1 TYR A 52 13.833 5.833 -0.926 1.00 0.00 H new ATOM 0 HE2 TYR A 52 11.849 6.189 2.866 1.00 0.00 H new ATOM 0 HH TYR A 52 12.763 8.083 0.775 1.00 0.00 H new ATOM 830 N LEU A 53 13.123 -0.480 1.608 1.00 0.00 N ATOM 831 CA LEU A 53 13.964 -0.992 2.729 1.00 0.00 C ATOM 832 C LEU A 53 15.064 -1.915 2.195 1.00 0.00 C ATOM 833 O LEU A 53 16.069 -2.135 2.842 1.00 0.00 O ATOM 834 CB LEU A 53 12.997 -1.768 3.626 1.00 0.00 C ATOM 835 CG LEU A 53 11.876 -0.839 4.098 1.00 0.00 C ATOM 836 CD1 LEU A 53 10.743 -1.670 4.697 1.00 0.00 C ATOM 837 CD2 LEU A 53 12.420 0.123 5.158 1.00 0.00 C ATOM 0 H LEU A 53 12.446 -1.145 1.234 1.00 0.00 H new ATOM 0 HA LEU A 53 14.465 -0.188 3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 53 12.577 -2.613 3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 53 13.530 -2.177 4.485 1.00 0.00 H new ATOM 0 HG LEU A 53 11.498 -0.268 3.250 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.945 -1.008 5.033 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.354 -2.353 3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.120 -2.243 5.544 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.621 0.784 5.494 1.00 0.00 H new ATOM 0 HD22 LEU A 53 12.800 -0.447 6.006 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.227 0.717 4.730 1.00 0.00 H new ATOM 849 N GLY A 54 14.883 -2.455 1.018 1.00 0.00 N ATOM 850 CA GLY A 54 15.920 -3.361 0.445 1.00 0.00 C ATOM 851 C GLY A 54 15.299 -4.731 0.152 1.00 0.00 C ATOM 852 O GLY A 54 14.366 -5.139 0.814 1.00 0.00 O ATOM 0 H GLY A 54 14.063 -2.308 0.430 1.00 0.00 H new ATOM 0 HA2 GLY A 54 16.327 -2.932 -0.470 1.00 0.00 H new ATOM 0 HA3 GLY A 54 16.750 -3.468 1.143 1.00 0.00 H new ATOM 856 N PRO A 55 15.840 -5.403 -0.833 1.00 0.00 N ATOM 857 CA PRO A 55 15.323 -6.743 -1.208 1.00 0.00 C ATOM 858 C PRO A 55 15.648 -7.765 -0.116 1.00 0.00 C ATOM 859 O PRO A 55 15.013 -8.796 -0.009 1.00 0.00 O ATOM 860 CB PRO A 55 16.062 -7.064 -2.506 1.00 0.00 C ATOM 861 CG PRO A 55 17.310 -6.243 -2.449 1.00 0.00 C ATOM 862 CD PRO A 55 16.971 -4.995 -1.677 1.00 0.00 C ATOM 0 HA PRO A 55 14.240 -6.769 -1.329 1.00 0.00 H new ATOM 0 HB2 PRO A 55 16.291 -8.127 -2.578 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.460 -6.808 -3.378 1.00 0.00 H new ATOM 0 HG2 PRO A 55 18.114 -6.794 -1.961 1.00 0.00 H new ATOM 0 HG3 PRO A 55 17.657 -5.995 -3.452 1.00 0.00 H new ATOM 0 HD2 PRO A 55 17.815 -4.653 -1.078 1.00 0.00 H new ATOM 0 HD3 PRO A 55 16.699 -4.175 -2.341 1.00 0.00 H new ATOM 870 N ALA A 56 16.629 -7.483 0.701 1.00 0.00 N ATOM 871 CA ALA A 56 16.991 -8.432 1.792 1.00 0.00 C ATOM 872 C ALA A 56 16.296 -8.029 3.099 1.00 0.00 C ATOM 873 O ALA A 56 16.317 -8.758 4.071 1.00 0.00 O ATOM 874 CB ALA A 56 18.508 -8.312 1.934 1.00 0.00 C ATOM 0 H ALA A 56 17.195 -6.635 0.659 1.00 0.00 H new ATOM 0 HA ALA A 56 16.681 -9.453 1.570 1.00 0.00 H new ATOM 0 HB1 ALA A 56 18.854 -8.982 2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 56 18.984 -8.582 0.992 1.00 0.00 H new ATOM 0 HB3 ALA A 56 18.769 -7.285 2.191 1.00 0.00 H new ATOM 880 N CYS A 57 15.679 -6.875 3.130 1.00 0.00 N ATOM 881 CA CYS A 57 14.985 -6.429 4.373 1.00 0.00 C ATOM 882 C CYS A 57 13.573 -7.020 4.434 1.00 0.00 C ATOM 883 O CYS A 57 12.589 -6.308 4.400 1.00 0.00 O ATOM 884 CB CYS A 57 14.924 -4.902 4.269 1.00 0.00 C ATOM 885 SG CYS A 57 14.776 -4.190 5.925 1.00 0.00 S ATOM 0 H CYS A 57 15.627 -6.223 2.347 1.00 0.00 H new ATOM 0 HA CYS A 57 15.504 -6.756 5.274 1.00 0.00 H new ATOM 0 HB2 CYS A 57 15.821 -4.524 3.778 1.00 0.00 H new ATOM 0 HB3 CYS A 57 14.074 -4.602 3.655 1.00 0.00 H new ATOM 0 HG CYS A 57 14.980 -2.908 5.866 1.00 0.00 H new ATOM 891 N ASP A 58 13.467 -8.321 4.527 1.00 0.00 N ATOM 892 CA ASP A 58 12.118 -8.959 4.594 1.00 0.00 C ATOM 893 C ASP A 58 11.345 -8.435 5.806 1.00 0.00 C ATOM 894 O ASP A 58 11.926 -8.004 6.782 1.00 0.00 O ATOM 895 CB ASP A 58 12.390 -10.457 4.748 1.00 0.00 C ATOM 896 CG ASP A 58 12.184 -11.157 3.403 1.00 0.00 C ATOM 897 OD1 ASP A 58 12.865 -10.794 2.458 1.00 0.00 O ATOM 898 OD2 ASP A 58 11.348 -12.044 3.342 1.00 0.00 O ATOM 0 H ASP A 58 14.255 -8.968 4.559 1.00 0.00 H new ATOM 0 HA ASP A 58 11.518 -8.741 3.710 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.409 -10.618 5.101 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.723 -10.883 5.497 1.00 0.00 H new ATOM 903 N LEU A 59 10.041 -8.470 5.752 1.00 0.00 N ATOM 904 CA LEU A 59 9.234 -7.975 6.904 1.00 0.00 C ATOM 905 C LEU A 59 8.030 -8.890 7.133 1.00 0.00 C ATOM 906 O LEU A 59 6.894 -8.454 7.118 1.00 0.00 O ATOM 907 CB LEU A 59 8.770 -6.571 6.506 1.00 0.00 C ATOM 908 CG LEU A 59 9.978 -5.700 6.144 1.00 0.00 C ATOM 909 CD1 LEU A 59 9.493 -4.326 5.682 1.00 0.00 C ATOM 910 CD2 LEU A 59 10.886 -5.538 7.370 1.00 0.00 C ATOM 0 H LEU A 59 9.500 -8.820 4.961 1.00 0.00 H new ATOM 0 HA LEU A 59 9.810 -7.961 7.830 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.088 -6.632 5.658 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.217 -6.116 7.328 1.00 0.00 H new ATOM 0 HG LEU A 59 10.540 -6.177 5.342 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.351 -3.705 5.424 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.853 -4.441 4.808 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.929 -3.850 6.484 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.744 -4.918 7.108 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.327 -5.063 8.176 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.233 -6.518 7.698 1.00 0.00 H new ATOM 922 N THR A 60 8.269 -10.154 7.349 1.00 0.00 N ATOM 923 CA THR A 60 7.139 -11.099 7.583 1.00 0.00 C ATOM 924 C THR A 60 6.416 -10.748 8.889 1.00 0.00 C ATOM 925 O THR A 60 5.312 -11.192 9.136 1.00 0.00 O ATOM 926 CB THR A 60 7.784 -12.485 7.686 1.00 0.00 C ATOM 927 OG1 THR A 60 9.009 -12.497 6.963 1.00 0.00 O ATOM 928 CG2 THR A 60 6.837 -13.529 7.101 1.00 0.00 C ATOM 0 H THR A 60 9.198 -10.574 7.374 1.00 0.00 H new ATOM 0 HA THR A 60 6.398 -11.055 6.785 1.00 0.00 H new ATOM 0 HB THR A 60 7.981 -12.717 8.733 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.421 -13.384 7.032 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.294 -14.516 7.173 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.899 -13.522 7.657 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.640 -13.296 6.055 1.00 0.00 H new ATOM 936 N LEU A 61 7.032 -9.954 9.726 1.00 0.00 N ATOM 937 CA LEU A 61 6.387 -9.573 11.016 1.00 0.00 C ATOM 938 C LEU A 61 5.526 -8.322 10.826 1.00 0.00 C ATOM 939 O LEU A 61 4.565 -8.106 11.539 1.00 0.00 O ATOM 940 CB LEU A 61 7.551 -9.292 11.968 1.00 0.00 C ATOM 941 CG LEU A 61 8.426 -10.545 12.088 1.00 0.00 C ATOM 942 CD1 LEU A 61 9.902 -10.143 12.083 1.00 0.00 C ATOM 943 CD2 LEU A 61 8.101 -11.276 13.393 1.00 0.00 C ATOM 0 H LEU A 61 7.957 -9.552 9.570 1.00 0.00 H new ATOM 0 HA LEU A 61 5.728 -10.352 11.399 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.144 -8.455 11.598 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.172 -9.005 12.949 1.00 0.00 H new ATOM 0 HG LEU A 61 8.227 -11.205 11.244 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.522 -11.035 12.168 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.135 -9.627 11.152 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.101 -9.480 12.925 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.724 -12.166 13.476 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.296 -10.616 14.238 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.051 -11.567 13.395 1.00 0.00 H new ATOM 955 N PHE A 62 5.857 -7.499 9.867 1.00 0.00 N ATOM 956 CA PHE A 62 5.050 -6.266 9.628 1.00 0.00 C ATOM 957 C PHE A 62 3.638 -6.652 9.177 1.00 0.00 C ATOM 958 O PHE A 62 3.451 -7.234 8.126 1.00 0.00 O ATOM 959 CB PHE A 62 5.788 -5.513 8.516 1.00 0.00 C ATOM 960 CG PHE A 62 4.972 -4.317 8.079 1.00 0.00 C ATOM 961 CD1 PHE A 62 3.945 -4.478 7.140 1.00 0.00 C ATOM 962 CD2 PHE A 62 5.240 -3.050 8.612 1.00 0.00 C ATOM 963 CE1 PHE A 62 3.188 -3.373 6.734 1.00 0.00 C ATOM 964 CE2 PHE A 62 4.482 -1.944 8.204 1.00 0.00 C ATOM 965 CZ PHE A 62 3.456 -2.106 7.265 1.00 0.00 C ATOM 0 H PHE A 62 6.651 -7.627 9.239 1.00 0.00 H new ATOM 0 HA PHE A 62 4.945 -5.655 10.524 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.766 -5.188 8.871 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.961 -6.176 7.668 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.737 -5.455 6.729 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.031 -2.925 9.337 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.396 -3.498 6.010 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.689 -0.967 8.614 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.872 -1.254 6.951 1.00 0.00 H new ATOM 975 N ASP A 63 2.646 -6.336 9.964 1.00 0.00 N ATOM 976 CA ASP A 63 1.248 -6.687 9.580 1.00 0.00 C ATOM 977 C ASP A 63 0.707 -5.673 8.568 1.00 0.00 C ATOM 978 O ASP A 63 0.638 -4.492 8.836 1.00 0.00 O ATOM 979 CB ASP A 63 0.451 -6.622 10.883 1.00 0.00 C ATOM 980 CG ASP A 63 0.676 -7.905 11.684 1.00 0.00 C ATOM 981 OD1 ASP A 63 1.821 -8.303 11.819 1.00 0.00 O ATOM 982 OD2 ASP A 63 -0.302 -8.468 12.148 1.00 0.00 O ATOM 0 H ASP A 63 2.742 -5.850 10.856 1.00 0.00 H new ATOM 0 HA ASP A 63 1.183 -7.669 9.111 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.761 -5.756 11.468 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.610 -6.497 10.667 1.00 0.00 H new ATOM 987 N PHE A 64 0.322 -6.126 7.406 1.00 0.00 N ATOM 988 CA PHE A 64 -0.216 -5.189 6.378 1.00 0.00 C ATOM 989 C PHE A 64 -1.507 -4.531 6.890 1.00 0.00 C ATOM 990 O PHE A 64 -1.894 -3.472 6.438 1.00 0.00 O ATOM 991 CB PHE A 64 -0.491 -6.070 5.152 1.00 0.00 C ATOM 992 CG PHE A 64 -1.314 -5.313 4.132 1.00 0.00 C ATOM 993 CD1 PHE A 64 -2.707 -5.260 4.260 1.00 0.00 C ATOM 994 CD2 PHE A 64 -0.685 -4.671 3.056 1.00 0.00 C ATOM 995 CE1 PHE A 64 -3.472 -4.567 3.315 1.00 0.00 C ATOM 996 CE2 PHE A 64 -1.451 -3.977 2.112 1.00 0.00 C ATOM 997 CZ PHE A 64 -2.844 -3.925 2.242 1.00 0.00 C ATOM 0 H PHE A 64 0.357 -7.106 7.124 1.00 0.00 H new ATOM 0 HA PHE A 64 0.474 -4.378 6.144 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.451 -6.387 4.705 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.019 -6.974 5.457 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.192 -5.754 5.089 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.390 -4.712 2.956 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.547 -4.528 3.414 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.967 -3.482 1.283 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.434 -3.389 1.514 1.00 0.00 H new ATOM 1007 N LYS A 65 -2.178 -5.154 7.824 1.00 0.00 N ATOM 1008 CA LYS A 65 -3.444 -4.564 8.353 1.00 0.00 C ATOM 1009 C LYS A 65 -3.167 -3.660 9.560 1.00 0.00 C ATOM 1010 O LYS A 65 -3.870 -2.697 9.793 1.00 0.00 O ATOM 1011 CB LYS A 65 -4.297 -5.764 8.766 1.00 0.00 C ATOM 1012 CG LYS A 65 -5.765 -5.486 8.431 1.00 0.00 C ATOM 1013 CD LYS A 65 -5.965 -5.533 6.915 1.00 0.00 C ATOM 1014 CE LYS A 65 -7.330 -4.938 6.560 1.00 0.00 C ATOM 1015 NZ LYS A 65 -8.304 -6.040 6.793 1.00 0.00 N ATOM 0 H LYS A 65 -1.905 -6.043 8.242 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.941 -3.940 7.610 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.958 -6.661 8.247 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.186 -5.952 9.834 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.405 -6.224 8.915 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.057 -4.509 8.816 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.173 -4.975 6.416 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.902 -6.562 6.561 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.557 -4.073 7.183 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.356 -4.601 5.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.264 -5.708 6.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.067 -6.848 6.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.262 -6.336 7.789 1.00 0.00 H new ATOM 1029 N GLN A 66 -2.154 -3.959 10.331 1.00 0.00 N ATOM 1030 CA GLN A 66 -1.848 -3.108 11.519 1.00 0.00 C ATOM 1031 C GLN A 66 -0.565 -2.313 11.280 1.00 0.00 C ATOM 1032 O GLN A 66 -0.509 -1.121 11.509 1.00 0.00 O ATOM 1033 CB GLN A 66 -1.662 -4.094 12.674 1.00 0.00 C ATOM 1034 CG GLN A 66 -3.021 -4.405 13.307 1.00 0.00 C ATOM 1035 CD GLN A 66 -2.813 -5.246 14.568 1.00 0.00 C ATOM 1036 OE1 GLN A 66 -1.949 -6.099 14.607 1.00 0.00 O ATOM 1037 NE2 GLN A 66 -3.574 -5.041 15.607 1.00 0.00 N ATOM 0 H GLN A 66 -1.528 -4.752 10.190 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.637 -2.384 11.725 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.200 -5.012 12.311 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.989 -3.672 13.421 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.539 -3.479 13.555 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.651 -4.942 12.598 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.300 -4.325 15.574 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.444 -5.597 16.452 1.00 0.00 H new ATOM 1046 N GLY A 67 0.466 -2.966 10.817 1.00 0.00 N ATOM 1047 CA GLY A 67 1.748 -2.256 10.556 1.00 0.00 C ATOM 1048 C GLY A 67 2.396 -1.868 11.885 1.00 0.00 C ATOM 1049 O GLY A 67 2.424 -0.710 12.257 1.00 0.00 O ATOM 0 H GLY A 67 0.474 -3.964 10.608 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.420 -2.896 9.985 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.567 -1.366 9.954 1.00 0.00 H new ATOM 1053 N ILE A 68 2.914 -2.826 12.607 1.00 0.00 N ATOM 1054 CA ILE A 68 3.559 -2.501 13.919 1.00 0.00 C ATOM 1055 C ILE A 68 4.660 -3.510 14.269 1.00 0.00 C ATOM 1056 O ILE A 68 5.136 -3.541 15.387 1.00 0.00 O ATOM 1057 CB ILE A 68 2.438 -2.572 14.967 1.00 0.00 C ATOM 1058 CG1 ILE A 68 1.223 -3.316 14.399 1.00 0.00 C ATOM 1059 CG2 ILE A 68 2.022 -1.154 15.369 1.00 0.00 C ATOM 1060 CD1 ILE A 68 0.285 -3.711 15.541 1.00 0.00 C ATOM 0 H ILE A 68 2.920 -3.813 12.350 1.00 0.00 H new ATOM 0 HA ILE A 68 4.031 -1.519 13.882 1.00 0.00 H new ATOM 0 HB ILE A 68 2.807 -3.110 15.840 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.697 -2.682 13.685 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.548 -4.205 13.858 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.227 -1.205 16.113 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.879 -0.629 15.790 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.664 -0.617 14.491 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.578 -4.240 15.137 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.814 -4.360 16.238 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.050 -2.815 16.063 1.00 0.00 H new ATOM 1072 N LEU A 69 5.070 -4.334 13.338 1.00 0.00 N ATOM 1073 CA LEU A 69 6.139 -5.339 13.643 1.00 0.00 C ATOM 1074 C LEU A 69 5.812 -6.080 14.944 1.00 0.00 C ATOM 1075 O LEU A 69 6.594 -6.096 15.874 1.00 0.00 O ATOM 1076 CB LEU A 69 7.427 -4.526 13.801 1.00 0.00 C ATOM 1077 CG LEU A 69 8.237 -4.581 12.504 1.00 0.00 C ATOM 1078 CD1 LEU A 69 9.512 -3.751 12.665 1.00 0.00 C ATOM 1079 CD2 LEU A 69 8.618 -6.030 12.193 1.00 0.00 C ATOM 0 H LEU A 69 4.714 -4.356 12.383 1.00 0.00 H new ATOM 0 HA LEU A 69 6.229 -6.091 12.859 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.187 -3.492 14.047 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.018 -4.921 14.627 1.00 0.00 H new ATOM 0 HG LEU A 69 7.635 -4.180 11.688 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.090 -3.789 11.742 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.247 -2.717 12.885 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.108 -4.155 13.483 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.195 -6.064 11.269 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.218 -6.432 13.010 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.714 -6.628 12.079 1.00 0.00 H new