USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 440 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 Set 1.1: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 52 TYR OH : rot 180:sc= -2.01! USER MOD Single : A 8 CYS SG : rot 146:sc= -4.23 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc=-0.000784 USER MOD Single : A 35 TYR OH : rot 127:sc= -0.252! USER MOD Single : A 36 GLN : amide:sc= -0.0751 X(o=-0.075,f=0) USER MOD Single : A 37 SER OG : rot 70:sc= -0.964 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 66:sc= -6.42! USER MOD Single : A 57 CYS SG : rot 130:sc= -2.16! USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 126:sc= -0.174 (180deg=-1.17!) USER MOD Single : A 66 GLN : amide:sc= -0.617 K(o=-0.62,f=-0.018) USER MOD Single : A 70 CYS SG : rot 180:sc= -0.309 USER MOD ----------------------------------------------------------------- ATOM 55 N TRP A 5 55.901 -8.807 -4.894 1.00 0.00 N ATOM 56 CA TRP A 5 57.289 -8.297 -4.711 1.00 0.00 C ATOM 57 C TRP A 5 57.891 -7.957 -6.076 1.00 0.00 C ATOM 58 O TRP A 5 58.223 -8.828 -6.855 1.00 0.00 O ATOM 59 CB TRP A 5 58.136 -9.370 -4.027 1.00 0.00 C ATOM 60 CG TRP A 5 57.508 -9.738 -2.721 1.00 0.00 C ATOM 61 CD1 TRP A 5 56.562 -10.691 -2.554 1.00 0.00 C ATOM 62 CD2 TRP A 5 57.760 -9.176 -1.401 1.00 0.00 C ATOM 63 NE1 TRP A 5 56.222 -10.753 -1.214 1.00 0.00 N ATOM 64 CE2 TRP A 5 56.933 -9.838 -0.464 1.00 0.00 C ATOM 65 CE3 TRP A 5 58.618 -8.166 -0.933 1.00 0.00 C ATOM 66 CZ2 TRP A 5 56.959 -9.510 0.893 1.00 0.00 C ATOM 67 CZ3 TRP A 5 58.646 -7.833 0.431 1.00 0.00 C ATOM 68 CH2 TRP A 5 57.818 -8.504 1.342 1.00 0.00 C ATOM 0 HA TRP A 5 57.272 -7.400 -4.092 1.00 0.00 H new ATOM 0 HB2 TRP A 5 58.215 -10.249 -4.666 1.00 0.00 H new ATOM 0 HB3 TRP A 5 59.149 -9.002 -3.865 1.00 0.00 H new ATOM 0 HD1 TRP A 5 56.141 -11.303 -3.338 1.00 0.00 H new ATOM 0 HE1 TRP A 5 55.531 -11.396 -0.828 1.00 0.00 H new ATOM 0 HE3 TRP A 5 59.260 -7.643 -1.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 56.319 -10.030 1.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 59.309 -7.055 0.780 1.00 0.00 H new ATOM 0 HH2 TRP A 5 57.844 -8.243 2.390 1.00 0.00 H new ATOM 79 N LEU A 6 58.032 -6.694 -6.375 1.00 0.00 N ATOM 80 CA LEU A 6 58.607 -6.304 -7.692 1.00 0.00 C ATOM 81 C LEU A 6 60.026 -5.770 -7.498 1.00 0.00 C ATOM 82 O LEU A 6 60.418 -5.394 -6.410 1.00 0.00 O ATOM 83 CB LEU A 6 57.734 -5.222 -8.328 1.00 0.00 C ATOM 84 CG LEU A 6 56.261 -5.565 -8.103 1.00 0.00 C ATOM 85 CD1 LEU A 6 55.380 -4.492 -8.744 1.00 0.00 C ATOM 86 CD2 LEU A 6 55.953 -6.923 -8.739 1.00 0.00 C ATOM 0 H LEU A 6 57.774 -5.918 -5.765 1.00 0.00 H new ATOM 0 HA LEU A 6 58.639 -7.176 -8.345 1.00 0.00 H new ATOM 0 HB2 LEU A 6 57.964 -4.250 -7.892 1.00 0.00 H new ATOM 0 HB3 LEU A 6 57.944 -5.150 -9.395 1.00 0.00 H new ATOM 0 HG LEU A 6 56.058 -5.607 -7.033 1.00 0.00 H new ATOM 0 HD11 LEU A 6 54.331 -4.739 -8.582 1.00 0.00 H new ATOM 0 HD12 LEU A 6 55.599 -3.524 -8.293 1.00 0.00 H new ATOM 0 HD13 LEU A 6 55.582 -4.447 -9.814 1.00 0.00 H new ATOM 0 HD21 LEU A 6 54.903 -7.170 -8.580 1.00 0.00 H new ATOM 0 HD22 LEU A 6 56.157 -6.878 -9.809 1.00 0.00 H new ATOM 0 HD23 LEU A 6 56.579 -7.689 -8.282 1.00 0.00 H new ATOM 98 N ASP A 7 60.800 -5.737 -8.548 1.00 0.00 N ATOM 99 CA ASP A 7 62.196 -5.231 -8.433 1.00 0.00 C ATOM 100 C ASP A 7 62.184 -3.837 -7.805 1.00 0.00 C ATOM 101 O ASP A 7 61.251 -3.077 -7.971 1.00 0.00 O ATOM 102 CB ASP A 7 62.828 -5.157 -9.825 1.00 0.00 C ATOM 103 CG ASP A 7 64.329 -4.890 -9.692 1.00 0.00 C ATOM 104 OD1 ASP A 7 64.909 -5.345 -8.720 1.00 0.00 O ATOM 105 OD2 ASP A 7 64.874 -4.234 -10.566 1.00 0.00 O ATOM 0 H ASP A 7 60.525 -6.039 -9.482 1.00 0.00 H new ATOM 0 HA ASP A 7 62.776 -5.907 -7.805 1.00 0.00 H new ATOM 0 HB2 ASP A 7 62.660 -6.091 -10.362 1.00 0.00 H new ATOM 0 HB3 ASP A 7 62.357 -4.365 -10.408 1.00 0.00 H new ATOM 110 N CYS A 8 63.217 -3.497 -7.084 1.00 0.00 N ATOM 111 CA CYS A 8 63.270 -2.153 -6.444 1.00 0.00 C ATOM 112 C CYS A 8 64.358 -1.311 -7.121 1.00 0.00 C ATOM 113 O CYS A 8 65.530 -1.505 -6.869 1.00 0.00 O ATOM 114 CB CYS A 8 63.607 -2.312 -4.960 1.00 0.00 C ATOM 115 SG CYS A 8 63.687 -0.679 -4.183 1.00 0.00 S ATOM 0 H CYS A 8 64.027 -4.092 -6.911 1.00 0.00 H new ATOM 0 HA CYS A 8 62.304 -1.659 -6.551 1.00 0.00 H new ATOM 0 HB2 CYS A 8 62.851 -2.924 -4.468 1.00 0.00 H new ATOM 0 HB3 CYS A 8 64.560 -2.828 -4.846 1.00 0.00 H new ATOM 0 HG CYS A 8 63.258 -0.760 -2.959 1.00 0.00 H new ATOM 121 N PRO A 9 63.939 -0.397 -7.962 1.00 0.00 N ATOM 122 CA PRO A 9 64.864 0.489 -8.688 1.00 0.00 C ATOM 123 C PRO A 9 65.378 1.594 -7.762 1.00 0.00 C ATOM 124 O PRO A 9 66.433 2.156 -7.979 1.00 0.00 O ATOM 125 CB PRO A 9 64.002 1.067 -9.814 1.00 0.00 C ATOM 126 CG PRO A 9 62.532 0.933 -9.350 1.00 0.00 C ATOM 127 CD PRO A 9 62.512 -0.161 -8.266 1.00 0.00 C ATOM 0 HA PRO A 9 65.749 -0.026 -9.063 1.00 0.00 H new ATOM 0 HB2 PRO A 9 64.257 2.110 -10.002 1.00 0.00 H new ATOM 0 HB3 PRO A 9 64.166 0.526 -10.746 1.00 0.00 H new ATOM 0 HG2 PRO A 9 62.163 1.879 -8.953 1.00 0.00 H new ATOM 0 HG3 PRO A 9 61.885 0.663 -10.185 1.00 0.00 H new ATOM 0 HD2 PRO A 9 61.965 0.165 -7.381 1.00 0.00 H new ATOM 0 HD3 PRO A 9 62.026 -1.068 -8.625 1.00 0.00 H new ATOM 135 N ALA A 10 64.646 1.907 -6.729 1.00 0.00 N ATOM 136 CA ALA A 10 65.104 2.971 -5.793 1.00 0.00 C ATOM 137 C ALA A 10 66.528 2.657 -5.334 1.00 0.00 C ATOM 138 O ALA A 10 67.401 3.501 -5.363 1.00 0.00 O ATOM 139 CB ALA A 10 64.177 3.021 -4.578 1.00 0.00 C ATOM 0 H ALA A 10 63.753 1.474 -6.493 1.00 0.00 H new ATOM 0 HA ALA A 10 65.085 3.936 -6.300 1.00 0.00 H new ATOM 0 HB1 ALA A 10 64.514 3.800 -3.895 1.00 0.00 H new ATOM 0 HB2 ALA A 10 63.160 3.240 -4.905 1.00 0.00 H new ATOM 0 HB3 ALA A 10 64.194 2.058 -4.067 1.00 0.00 H new ATOM 145 N LEU A 11 66.768 1.445 -4.912 1.00 0.00 N ATOM 146 CA LEU A 11 68.136 1.073 -4.453 1.00 0.00 C ATOM 147 C LEU A 11 68.884 0.396 -5.598 1.00 0.00 C ATOM 148 O LEU A 11 69.921 0.855 -6.037 1.00 0.00 O ATOM 149 CB LEU A 11 68.043 0.099 -3.274 1.00 0.00 C ATOM 150 CG LEU A 11 66.753 0.350 -2.494 1.00 0.00 C ATOM 151 CD1 LEU A 11 66.751 -0.503 -1.224 1.00 0.00 C ATOM 152 CD2 LEU A 11 66.672 1.829 -2.115 1.00 0.00 C ATOM 0 H LEU A 11 66.076 0.697 -4.865 1.00 0.00 H new ATOM 0 HA LEU A 11 68.666 1.973 -4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 11 68.065 -0.929 -3.637 1.00 0.00 H new ATOM 0 HB3 LEU A 11 68.905 0.224 -2.619 1.00 0.00 H new ATOM 0 HG LEU A 11 65.895 0.083 -3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 11 65.831 -0.324 -0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 11 66.813 -1.557 -1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 11 67.607 -0.236 -0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 11 65.753 2.012 -1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 11 67.530 2.094 -1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 11 66.676 2.437 -3.020 1.00 0.00 H new ATOM 164 N GLY A 12 68.365 -0.696 -6.084 1.00 0.00 N ATOM 165 CA GLY A 12 69.039 -1.413 -7.199 1.00 0.00 C ATOM 166 C GLY A 12 68.564 -2.868 -7.228 1.00 0.00 C ATOM 167 O GLY A 12 67.473 -3.170 -6.785 1.00 0.00 O ATOM 0 H GLY A 12 67.499 -1.124 -5.755 1.00 0.00 H new ATOM 0 HA2 GLY A 12 68.814 -0.926 -8.148 1.00 0.00 H new ATOM 0 HA3 GLY A 12 70.121 -1.374 -7.070 1.00 0.00 H new ATOM 171 N PRO A 13 69.400 -3.728 -7.750 1.00 0.00 N ATOM 172 CA PRO A 13 69.098 -5.166 -7.854 1.00 0.00 C ATOM 173 C PRO A 13 69.302 -5.859 -6.502 1.00 0.00 C ATOM 174 O PRO A 13 70.069 -5.410 -5.673 1.00 0.00 O ATOM 175 CB PRO A 13 70.114 -5.671 -8.882 1.00 0.00 C ATOM 176 CG PRO A 13 71.280 -4.654 -8.880 1.00 0.00 C ATOM 177 CD PRO A 13 70.723 -3.346 -8.287 1.00 0.00 C ATOM 0 HA PRO A 13 68.066 -5.366 -8.144 1.00 0.00 H new ATOM 0 HB2 PRO A 13 70.468 -6.668 -8.621 1.00 0.00 H new ATOM 0 HB3 PRO A 13 69.663 -5.742 -9.872 1.00 0.00 H new ATOM 0 HG2 PRO A 13 72.115 -5.024 -8.286 1.00 0.00 H new ATOM 0 HG3 PRO A 13 71.655 -4.492 -9.891 1.00 0.00 H new ATOM 0 HD2 PRO A 13 71.373 -2.955 -7.504 1.00 0.00 H new ATOM 0 HD3 PRO A 13 70.636 -2.569 -9.047 1.00 0.00 H new ATOM 185 N GLY A 14 68.624 -6.952 -6.276 1.00 0.00 N ATOM 186 CA GLY A 14 68.781 -7.676 -4.982 1.00 0.00 C ATOM 187 C GLY A 14 67.764 -7.151 -3.967 1.00 0.00 C ATOM 188 O GLY A 14 67.557 -7.737 -2.923 1.00 0.00 O ATOM 0 H GLY A 14 67.968 -7.375 -6.932 1.00 0.00 H new ATOM 0 HA2 GLY A 14 68.638 -8.746 -5.134 1.00 0.00 H new ATOM 0 HA3 GLY A 14 69.793 -7.541 -4.600 1.00 0.00 H new ATOM 192 N TRP A 15 67.127 -6.051 -4.262 1.00 0.00 N ATOM 193 CA TRP A 15 66.127 -5.492 -3.310 1.00 0.00 C ATOM 194 C TRP A 15 64.725 -5.614 -3.911 1.00 0.00 C ATOM 195 O TRP A 15 64.472 -5.171 -5.014 1.00 0.00 O ATOM 196 CB TRP A 15 66.444 -4.018 -3.047 1.00 0.00 C ATOM 197 CG TRP A 15 65.900 -3.620 -1.712 1.00 0.00 C ATOM 198 CD1 TRP A 15 64.928 -2.701 -1.512 1.00 0.00 C ATOM 199 CD2 TRP A 15 66.280 -4.107 -0.394 1.00 0.00 C ATOM 200 NE1 TRP A 15 64.686 -2.596 -0.154 1.00 0.00 N ATOM 201 CE2 TRP A 15 65.495 -3.442 0.576 1.00 0.00 C ATOM 202 CE3 TRP A 15 67.220 -5.052 0.050 1.00 0.00 C ATOM 203 CZ2 TRP A 15 65.637 -3.707 1.937 1.00 0.00 C ATOM 204 CZ3 TRP A 15 67.367 -5.322 1.420 1.00 0.00 C ATOM 205 CH2 TRP A 15 66.577 -4.650 2.362 1.00 0.00 C ATOM 0 H TRP A 15 67.256 -5.516 -5.121 1.00 0.00 H new ATOM 0 HA TRP A 15 66.168 -6.046 -2.372 1.00 0.00 H new ATOM 0 HB2 TRP A 15 67.522 -3.856 -3.075 1.00 0.00 H new ATOM 0 HB3 TRP A 15 66.008 -3.396 -3.829 1.00 0.00 H new ATOM 0 HD1 TRP A 15 64.424 -2.141 -2.286 1.00 0.00 H new ATOM 0 HE1 TRP A 15 63.994 -1.970 0.257 1.00 0.00 H new ATOM 0 HE3 TRP A 15 67.834 -5.575 -0.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 65.025 -3.187 2.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 68.092 -6.051 1.749 1.00 0.00 H new ATOM 0 HH2 TRP A 15 66.694 -4.860 3.415 1.00 0.00 H new ATOM 216 N LYS A 16 63.812 -6.212 -3.195 1.00 0.00 N ATOM 217 CA LYS A 16 62.429 -6.360 -3.728 1.00 0.00 C ATOM 218 C LYS A 16 61.520 -5.305 -3.095 1.00 0.00 C ATOM 219 O LYS A 16 61.343 -5.265 -1.894 1.00 0.00 O ATOM 220 CB LYS A 16 61.898 -7.754 -3.391 1.00 0.00 C ATOM 221 CG LYS A 16 62.950 -8.804 -3.754 1.00 0.00 C ATOM 222 CD LYS A 16 62.829 -9.156 -5.239 1.00 0.00 C ATOM 223 CE LYS A 16 64.048 -9.974 -5.669 1.00 0.00 C ATOM 224 NZ LYS A 16 63.889 -11.384 -5.210 1.00 0.00 N ATOM 0 H LYS A 16 63.964 -6.604 -2.266 1.00 0.00 H new ATOM 0 HA LYS A 16 62.443 -6.226 -4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 16 61.658 -7.816 -2.330 1.00 0.00 H new ATOM 0 HB3 LYS A 16 60.975 -7.945 -3.938 1.00 0.00 H new ATOM 0 HG2 LYS A 16 63.949 -8.423 -3.540 1.00 0.00 H new ATOM 0 HG3 LYS A 16 62.813 -9.698 -3.145 1.00 0.00 H new ATOM 0 HD2 LYS A 16 61.916 -9.724 -5.416 1.00 0.00 H new ATOM 0 HD3 LYS A 16 62.759 -8.246 -5.835 1.00 0.00 H new ATOM 0 HE2 LYS A 16 64.155 -9.943 -6.753 1.00 0.00 H new ATOM 0 HE3 LYS A 16 64.956 -9.543 -5.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 64.718 -11.940 -5.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 63.807 -11.404 -4.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 63.031 -11.792 -5.634 1.00 0.00 H new ATOM 238 N ARG A 17 60.939 -4.452 -3.893 1.00 0.00 N ATOM 239 CA ARG A 17 60.040 -3.406 -3.332 1.00 0.00 C ATOM 240 C ARG A 17 58.593 -3.897 -3.390 1.00 0.00 C ATOM 241 O ARG A 17 58.035 -4.093 -4.453 1.00 0.00 O ATOM 242 CB ARG A 17 60.176 -2.121 -4.151 1.00 0.00 C ATOM 243 CG ARG A 17 59.853 -0.910 -3.270 1.00 0.00 C ATOM 244 CD ARG A 17 60.576 0.329 -3.809 1.00 0.00 C ATOM 245 NE ARG A 17 60.773 0.193 -5.279 1.00 0.00 N ATOM 246 CZ ARG A 17 59.837 0.578 -6.102 1.00 0.00 C ATOM 247 NH1 ARG A 17 59.580 1.849 -6.250 1.00 0.00 N ATOM 248 NH2 ARG A 17 59.155 -0.307 -6.776 1.00 0.00 N ATOM 0 H ARG A 17 61.048 -4.434 -4.907 1.00 0.00 H new ATOM 0 HA ARG A 17 60.316 -3.206 -2.297 1.00 0.00 H new ATOM 0 HB2 ARG A 17 61.188 -2.036 -4.546 1.00 0.00 H new ATOM 0 HB3 ARG A 17 59.501 -2.151 -5.007 1.00 0.00 H new ATOM 0 HG2 ARG A 17 58.777 -0.737 -3.254 1.00 0.00 H new ATOM 0 HG3 ARG A 17 60.160 -1.104 -2.242 1.00 0.00 H new ATOM 0 HD2 ARG A 17 59.995 1.225 -3.591 1.00 0.00 H new ATOM 0 HD3 ARG A 17 61.539 0.445 -3.312 1.00 0.00 H new ATOM 0 HE ARG A 17 61.641 -0.202 -5.643 1.00 0.00 H new ATOM 0 HH11 ARG A 17 60.111 2.542 -5.722 1.00 0.00 H new ATOM 0 HH12 ARG A 17 58.848 2.150 -6.894 1.00 0.00 H new ATOM 0 HH21 ARG A 17 59.354 -1.301 -6.660 1.00 0.00 H new ATOM 0 HH22 ARG A 17 58.423 -0.005 -7.419 1.00 0.00 H new ATOM 262 N ARG A 18 57.982 -4.098 -2.256 1.00 0.00 N ATOM 263 CA ARG A 18 56.572 -4.576 -2.243 1.00 0.00 C ATOM 264 C ARG A 18 55.638 -3.391 -1.988 1.00 0.00 C ATOM 265 O ARG A 18 55.815 -2.639 -1.050 1.00 0.00 O ATOM 266 CB ARG A 18 56.394 -5.616 -1.134 1.00 0.00 C ATOM 267 CG ARG A 18 55.212 -6.526 -1.473 1.00 0.00 C ATOM 268 CD ARG A 18 54.129 -6.375 -0.402 1.00 0.00 C ATOM 269 NE ARG A 18 54.032 -7.635 0.387 1.00 0.00 N ATOM 270 CZ ARG A 18 52.872 -8.205 0.567 1.00 0.00 C ATOM 271 NH1 ARG A 18 52.404 -9.030 -0.329 1.00 0.00 N ATOM 272 NH2 ARG A 18 52.179 -7.950 1.644 1.00 0.00 N ATOM 0 H ARG A 18 58.399 -3.952 -1.337 1.00 0.00 H new ATOM 0 HA ARG A 18 56.332 -5.029 -3.205 1.00 0.00 H new ATOM 0 HB2 ARG A 18 57.303 -6.208 -1.026 1.00 0.00 H new ATOM 0 HB3 ARG A 18 56.222 -5.119 -0.179 1.00 0.00 H new ATOM 0 HG2 ARG A 18 54.809 -6.267 -2.452 1.00 0.00 H new ATOM 0 HG3 ARG A 18 55.542 -7.563 -1.528 1.00 0.00 H new ATOM 0 HD2 ARG A 18 54.367 -5.539 0.256 1.00 0.00 H new ATOM 0 HD3 ARG A 18 53.170 -6.151 -0.869 1.00 0.00 H new ATOM 0 HE ARG A 18 54.873 -8.052 0.787 1.00 0.00 H new ATOM 0 HH11 ARG A 18 52.945 -9.230 -1.170 1.00 0.00 H new ATOM 0 HH12 ARG A 18 51.497 -9.475 -0.188 1.00 0.00 H new ATOM 0 HH21 ARG A 18 52.544 -7.305 2.345 1.00 0.00 H new ATOM 0 HH22 ARG A 18 51.272 -8.396 1.784 1.00 0.00 H new ATOM 286 N GLU A 19 54.645 -3.219 -2.815 1.00 0.00 N ATOM 287 CA GLU A 19 53.702 -2.082 -2.618 1.00 0.00 C ATOM 288 C GLU A 19 52.296 -2.630 -2.373 1.00 0.00 C ATOM 289 O GLU A 19 51.836 -3.516 -3.065 1.00 0.00 O ATOM 290 CB GLU A 19 53.699 -1.195 -3.866 1.00 0.00 C ATOM 291 CG GLU A 19 53.309 -2.028 -5.089 1.00 0.00 C ATOM 292 CD GLU A 19 53.692 -1.273 -6.364 1.00 0.00 C ATOM 293 OE1 GLU A 19 54.877 -1.159 -6.629 1.00 0.00 O ATOM 294 OE2 GLU A 19 52.792 -0.822 -7.053 1.00 0.00 O ATOM 0 H GLU A 19 54.445 -3.815 -3.618 1.00 0.00 H new ATOM 0 HA GLU A 19 54.017 -1.490 -1.759 1.00 0.00 H new ATOM 0 HB2 GLU A 19 52.998 -0.371 -3.737 1.00 0.00 H new ATOM 0 HB3 GLU A 19 54.685 -0.754 -4.013 1.00 0.00 H new ATOM 0 HG2 GLU A 19 53.813 -2.994 -5.060 1.00 0.00 H new ATOM 0 HG3 GLU A 19 52.237 -2.227 -5.080 1.00 0.00 H new ATOM 301 N VAL A 20 51.610 -2.113 -1.391 1.00 0.00 N ATOM 302 CA VAL A 20 50.234 -2.610 -1.102 1.00 0.00 C ATOM 303 C VAL A 20 49.217 -1.520 -1.440 1.00 0.00 C ATOM 304 O VAL A 20 49.566 -0.450 -1.897 1.00 0.00 O ATOM 305 CB VAL A 20 50.111 -2.976 0.382 1.00 0.00 C ATOM 306 CG1 VAL A 20 49.203 -4.199 0.533 1.00 0.00 C ATOM 307 CG2 VAL A 20 51.493 -3.302 0.957 1.00 0.00 C ATOM 0 H VAL A 20 51.942 -1.369 -0.777 1.00 0.00 H new ATOM 0 HA VAL A 20 50.040 -3.495 -1.708 1.00 0.00 H new ATOM 0 HB VAL A 20 49.685 -2.130 0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 20 49.116 -4.459 1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 20 48.215 -3.971 0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 20 49.631 -5.039 -0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 20 51.397 -3.561 2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 20 51.923 -4.144 0.415 1.00 0.00 H new ATOM 0 HG23 VAL A 20 52.144 -2.434 0.855 1.00 0.00 H new ATOM 478 N ASP A 32 51.289 1.128 1.760 1.00 0.00 N ATOM 479 CA ASP A 32 52.504 0.744 2.533 1.00 0.00 C ATOM 480 C ASP A 32 53.504 0.071 1.592 1.00 0.00 C ATOM 481 O ASP A 32 53.129 -0.563 0.626 1.00 0.00 O ATOM 482 CB ASP A 32 52.112 -0.228 3.648 1.00 0.00 C ATOM 483 CG ASP A 32 50.721 0.134 4.174 1.00 0.00 C ATOM 484 OD1 ASP A 32 49.789 0.114 3.387 1.00 0.00 O ATOM 485 OD2 ASP A 32 50.612 0.424 5.353 1.00 0.00 O ATOM 0 HA ASP A 32 52.957 1.632 2.973 1.00 0.00 H new ATOM 0 HB2 ASP A 32 52.115 -1.251 3.271 1.00 0.00 H new ATOM 0 HB3 ASP A 32 52.841 -0.184 4.457 1.00 0.00 H new ATOM 490 N THR A 33 54.775 0.207 1.857 1.00 0.00 N ATOM 491 CA THR A 33 55.789 -0.422 0.964 1.00 0.00 C ATOM 492 C THR A 33 56.776 -1.250 1.792 1.00 0.00 C ATOM 493 O THR A 33 57.602 -0.717 2.507 1.00 0.00 O ATOM 494 CB THR A 33 56.548 0.673 0.213 1.00 0.00 C ATOM 495 OG1 THR A 33 55.622 1.507 -0.469 1.00 0.00 O ATOM 496 CG2 THR A 33 57.501 0.034 -0.797 1.00 0.00 C ATOM 0 H THR A 33 55.154 0.724 2.650 1.00 0.00 H new ATOM 0 HA THR A 33 55.285 -1.076 0.253 1.00 0.00 H new ATOM 0 HB THR A 33 57.121 1.270 0.922 1.00 0.00 H new ATOM 0 HG1 THR A 33 56.107 2.210 -0.949 1.00 0.00 H new ATOM 0 HG21 THR A 33 58.041 0.815 -1.332 1.00 0.00 H new ATOM 0 HG22 THR A 33 58.211 -0.605 -0.273 1.00 0.00 H new ATOM 0 HG23 THR A 33 56.930 -0.564 -1.508 1.00 0.00 H new ATOM 504 N TYR A 34 56.703 -2.549 1.691 1.00 0.00 N ATOM 505 CA TYR A 34 57.643 -3.416 2.460 1.00 0.00 C ATOM 506 C TYR A 34 58.772 -3.869 1.532 1.00 0.00 C ATOM 507 O TYR A 34 58.593 -3.980 0.338 1.00 0.00 O ATOM 508 CB TYR A 34 56.892 -4.643 2.984 1.00 0.00 C ATOM 509 CG TYR A 34 55.555 -4.219 3.542 1.00 0.00 C ATOM 510 CD1 TYR A 34 55.393 -2.933 4.072 1.00 0.00 C ATOM 511 CD2 TYR A 34 54.477 -5.111 3.527 1.00 0.00 C ATOM 512 CE1 TYR A 34 54.152 -2.541 4.589 1.00 0.00 C ATOM 513 CE2 TYR A 34 53.236 -4.719 4.044 1.00 0.00 C ATOM 514 CZ TYR A 34 53.074 -3.434 4.574 1.00 0.00 C ATOM 515 OH TYR A 34 51.850 -3.048 5.083 1.00 0.00 O ATOM 0 H TYR A 34 56.032 -3.049 1.108 1.00 0.00 H new ATOM 0 HA TYR A 34 58.056 -2.859 3.301 1.00 0.00 H new ATOM 0 HB2 TYR A 34 56.749 -5.365 2.180 1.00 0.00 H new ATOM 0 HB3 TYR A 34 57.479 -5.139 3.757 1.00 0.00 H new ATOM 0 HD1 TYR A 34 56.225 -2.244 4.082 1.00 0.00 H new ATOM 0 HD2 TYR A 34 54.602 -6.102 3.117 1.00 0.00 H new ATOM 0 HE1 TYR A 34 54.027 -1.550 4.999 1.00 0.00 H new ATOM 0 HE2 TYR A 34 52.404 -5.408 4.034 1.00 0.00 H new ATOM 0 HH TYR A 34 51.211 -3.786 4.994 1.00 0.00 H new ATOM 525 N TYR A 35 59.935 -4.131 2.064 1.00 0.00 N ATOM 526 CA TYR A 35 61.062 -4.571 1.192 1.00 0.00 C ATOM 527 C TYR A 35 61.603 -5.915 1.679 1.00 0.00 C ATOM 528 O TYR A 35 61.581 -6.219 2.855 1.00 0.00 O ATOM 529 CB TYR A 35 62.179 -3.527 1.231 1.00 0.00 C ATOM 530 CG TYR A 35 61.582 -2.154 1.052 1.00 0.00 C ATOM 531 CD1 TYR A 35 60.816 -1.589 2.076 1.00 0.00 C ATOM 532 CD2 TYR A 35 61.789 -1.449 -0.140 1.00 0.00 C ATOM 533 CE1 TYR A 35 60.255 -0.318 1.912 1.00 0.00 C ATOM 534 CE2 TYR A 35 61.229 -0.176 -0.305 1.00 0.00 C ATOM 535 CZ TYR A 35 60.461 0.389 0.721 1.00 0.00 C ATOM 536 OH TYR A 35 59.906 1.642 0.558 1.00 0.00 O ATOM 0 H TYR A 35 60.153 -4.060 3.058 1.00 0.00 H new ATOM 0 HA TYR A 35 60.700 -4.679 0.169 1.00 0.00 H new ATOM 0 HB2 TYR A 35 62.713 -3.584 2.180 1.00 0.00 H new ATOM 0 HB3 TYR A 35 62.906 -3.726 0.444 1.00 0.00 H new ATOM 0 HD1 TYR A 35 60.657 -2.134 2.995 1.00 0.00 H new ATOM 0 HD2 TYR A 35 62.380 -1.886 -0.931 1.00 0.00 H new ATOM 0 HE1 TYR A 35 59.663 0.118 2.704 1.00 0.00 H new ATOM 0 HE2 TYR A 35 61.389 0.370 -1.223 1.00 0.00 H new ATOM 0 HH TYR A 35 60.605 2.278 0.300 1.00 0.00 H new ATOM 546 N GLN A 36 62.094 -6.718 0.777 1.00 0.00 N ATOM 547 CA GLN A 36 62.645 -8.042 1.172 1.00 0.00 C ATOM 548 C GLN A 36 64.050 -8.191 0.588 1.00 0.00 C ATOM 549 O GLN A 36 64.241 -8.152 -0.612 1.00 0.00 O ATOM 550 CB GLN A 36 61.745 -9.152 0.624 1.00 0.00 C ATOM 551 CG GLN A 36 61.365 -10.109 1.754 1.00 0.00 C ATOM 552 CD GLN A 36 60.698 -11.355 1.166 1.00 0.00 C ATOM 553 OE1 GLN A 36 60.891 -12.451 1.656 1.00 0.00 O ATOM 554 NE2 GLN A 36 59.914 -11.233 0.130 1.00 0.00 N ATOM 0 H GLN A 36 62.137 -6.512 -0.221 1.00 0.00 H new ATOM 0 HA GLN A 36 62.688 -8.115 2.259 1.00 0.00 H new ATOM 0 HB2 GLN A 36 60.847 -8.721 0.182 1.00 0.00 H new ATOM 0 HB3 GLN A 36 62.261 -9.695 -0.168 1.00 0.00 H new ATOM 0 HG2 GLN A 36 62.253 -10.392 2.319 1.00 0.00 H new ATOM 0 HG3 GLN A 36 60.687 -9.615 2.450 1.00 0.00 H new ATOM 0 HE21 GLN A 36 59.752 -10.314 -0.281 1.00 0.00 H new ATOM 0 HE22 GLN A 36 59.463 -12.057 -0.268 1.00 0.00 H new ATOM 563 N SER A 37 65.035 -8.358 1.426 1.00 0.00 N ATOM 564 CA SER A 37 66.425 -8.507 0.917 1.00 0.00 C ATOM 565 C SER A 37 66.526 -9.787 0.083 1.00 0.00 C ATOM 566 O SER A 37 65.614 -10.589 0.069 1.00 0.00 O ATOM 567 CB SER A 37 67.394 -8.592 2.096 1.00 0.00 C ATOM 568 OG SER A 37 66.748 -8.117 3.270 1.00 0.00 O ATOM 0 H SER A 37 64.937 -8.398 2.440 1.00 0.00 H new ATOM 0 HA SER A 37 66.680 -7.646 0.299 1.00 0.00 H new ATOM 0 HB2 SER A 37 67.722 -9.622 2.239 1.00 0.00 H new ATOM 0 HB3 SER A 37 68.286 -7.999 1.892 1.00 0.00 H new ATOM 0 HG SER A 37 66.053 -8.753 3.541 1.00 0.00 H new ATOM 574 N PRO A 38 67.639 -9.938 -0.586 1.00 0.00 N ATOM 575 CA PRO A 38 67.902 -11.112 -1.434 1.00 0.00 C ATOM 576 C PRO A 38 68.305 -12.309 -0.568 1.00 0.00 C ATOM 577 O PRO A 38 68.524 -13.399 -1.060 1.00 0.00 O ATOM 578 CB PRO A 38 69.066 -10.661 -2.321 1.00 0.00 C ATOM 579 CG PRO A 38 69.763 -9.501 -1.569 1.00 0.00 C ATOM 580 CD PRO A 38 68.739 -8.952 -0.558 1.00 0.00 C ATOM 0 HA PRO A 38 67.034 -11.431 -2.012 1.00 0.00 H new ATOM 0 HB2 PRO A 38 69.761 -11.482 -2.498 1.00 0.00 H new ATOM 0 HB3 PRO A 38 68.707 -10.332 -3.296 1.00 0.00 H new ATOM 0 HG2 PRO A 38 70.660 -9.853 -1.059 1.00 0.00 H new ATOM 0 HG3 PRO A 38 70.077 -8.722 -2.264 1.00 0.00 H new ATOM 0 HD2 PRO A 38 69.171 -8.865 0.439 1.00 0.00 H new ATOM 0 HD3 PRO A 38 68.391 -7.959 -0.843 1.00 0.00 H new ATOM 588 N THR A 39 68.405 -12.114 0.719 1.00 0.00 N ATOM 589 CA THR A 39 68.793 -13.239 1.615 1.00 0.00 C ATOM 590 C THR A 39 67.553 -13.776 2.333 1.00 0.00 C ATOM 591 O THR A 39 67.517 -14.911 2.763 1.00 0.00 O ATOM 592 CB THR A 39 69.804 -12.741 2.652 1.00 0.00 C ATOM 593 OG1 THR A 39 69.110 -12.134 3.733 1.00 0.00 O ATOM 594 CG2 THR A 39 70.741 -11.719 2.006 1.00 0.00 C ATOM 0 H THR A 39 68.235 -11.224 1.188 1.00 0.00 H new ATOM 0 HA THR A 39 69.241 -14.035 1.020 1.00 0.00 H new ATOM 0 HB THR A 39 70.390 -13.583 3.022 1.00 0.00 H new ATOM 0 HG1 THR A 39 69.755 -11.816 4.399 1.00 0.00 H new ATOM 0 HG21 THR A 39 71.460 -11.366 2.746 1.00 0.00 H new ATOM 0 HG22 THR A 39 71.273 -12.186 1.177 1.00 0.00 H new ATOM 0 HG23 THR A 39 70.159 -10.876 1.634 1.00 0.00 H new ATOM 602 N GLY A 40 66.536 -12.969 2.466 1.00 0.00 N ATOM 603 CA GLY A 40 65.301 -13.436 3.156 1.00 0.00 C ATOM 604 C GLY A 40 64.976 -12.498 4.321 1.00 0.00 C ATOM 605 O GLY A 40 64.112 -12.773 5.129 1.00 0.00 O ATOM 0 H GLY A 40 66.507 -12.007 2.127 1.00 0.00 H new ATOM 0 HA2 GLY A 40 64.468 -13.462 2.454 1.00 0.00 H new ATOM 0 HA3 GLY A 40 65.440 -14.453 3.523 1.00 0.00 H new ATOM 609 N ASP A 41 65.661 -11.390 4.414 1.00 0.00 N ATOM 610 CA ASP A 41 65.388 -10.437 5.527 1.00 0.00 C ATOM 611 C ASP A 41 64.352 -9.406 5.070 1.00 0.00 C ATOM 612 O ASP A 41 64.614 -8.589 4.211 1.00 0.00 O ATOM 613 CB ASP A 41 66.686 -9.725 5.916 1.00 0.00 C ATOM 614 CG ASP A 41 66.732 -9.539 7.433 1.00 0.00 C ATOM 615 OD1 ASP A 41 66.148 -8.580 7.911 1.00 0.00 O ATOM 616 OD2 ASP A 41 67.352 -10.358 8.092 1.00 0.00 O ATOM 0 H ASP A 41 66.397 -11.104 3.768 1.00 0.00 H new ATOM 0 HA ASP A 41 65.002 -10.981 6.389 1.00 0.00 H new ATOM 0 HB2 ASP A 41 67.546 -10.307 5.584 1.00 0.00 H new ATOM 0 HB3 ASP A 41 66.745 -8.757 5.418 1.00 0.00 H new ATOM 621 N ARG A 42 63.176 -9.443 5.636 1.00 0.00 N ATOM 622 CA ARG A 42 62.122 -8.469 5.230 1.00 0.00 C ATOM 623 C ARG A 42 62.058 -7.322 6.242 1.00 0.00 C ATOM 624 O ARG A 42 61.844 -7.529 7.420 1.00 0.00 O ATOM 625 CB ARG A 42 60.767 -9.178 5.179 1.00 0.00 C ATOM 626 CG ARG A 42 60.569 -9.994 6.458 1.00 0.00 C ATOM 627 CD ARG A 42 60.616 -11.485 6.125 1.00 0.00 C ATOM 628 NE ARG A 42 59.256 -11.947 5.728 1.00 0.00 N ATOM 629 CZ ARG A 42 59.047 -13.205 5.453 1.00 0.00 C ATOM 630 NH1 ARG A 42 60.057 -14.021 5.319 1.00 0.00 N ATOM 631 NH2 ARG A 42 57.828 -13.647 5.310 1.00 0.00 N ATOM 0 H ARG A 42 62.900 -10.105 6.361 1.00 0.00 H new ATOM 0 HA ARG A 42 62.363 -8.067 4.246 1.00 0.00 H new ATOM 0 HB2 ARG A 42 59.966 -8.447 5.074 1.00 0.00 H new ATOM 0 HB3 ARG A 42 60.719 -9.831 4.307 1.00 0.00 H new ATOM 0 HG2 ARG A 42 61.345 -9.748 7.183 1.00 0.00 H new ATOM 0 HG3 ARG A 42 59.613 -9.743 6.917 1.00 0.00 H new ATOM 0 HD2 ARG A 42 61.324 -11.666 5.316 1.00 0.00 H new ATOM 0 HD3 ARG A 42 60.967 -12.051 6.988 1.00 0.00 H new ATOM 0 HE ARG A 42 58.487 -11.279 5.671 1.00 0.00 H new ATOM 0 HH11 ARG A 42 61.010 -13.675 5.429 1.00 0.00 H new ATOM 0 HH12 ARG A 42 59.893 -15.005 5.104 1.00 0.00 H new ATOM 0 HH21 ARG A 42 57.039 -13.009 5.413 1.00 0.00 H new ATOM 0 HH22 ARG A 42 57.664 -14.631 5.095 1.00 0.00 H new ATOM 645 N ILE A 43 62.238 -6.112 5.787 1.00 0.00 N ATOM 646 CA ILE A 43 62.185 -4.944 6.713 1.00 0.00 C ATOM 647 C ILE A 43 61.030 -4.028 6.301 1.00 0.00 C ATOM 648 O ILE A 43 60.625 -4.005 5.156 1.00 0.00 O ATOM 649 CB ILE A 43 63.504 -4.175 6.630 1.00 0.00 C ATOM 650 CG1 ILE A 43 64.658 -5.103 7.016 1.00 0.00 C ATOM 651 CG2 ILE A 43 63.463 -2.986 7.590 1.00 0.00 C ATOM 652 CD1 ILE A 43 65.573 -5.310 5.809 1.00 0.00 C ATOM 0 H ILE A 43 62.420 -5.881 4.810 1.00 0.00 H new ATOM 0 HA ILE A 43 62.030 -5.289 7.735 1.00 0.00 H new ATOM 0 HB ILE A 43 63.651 -3.814 5.612 1.00 0.00 H new ATOM 0 HG12 ILE A 43 65.222 -4.674 7.844 1.00 0.00 H new ATOM 0 HG13 ILE A 43 64.269 -6.062 7.359 1.00 0.00 H new ATOM 0 HG21 ILE A 43 64.403 -2.438 7.531 1.00 0.00 H new ATOM 0 HG22 ILE A 43 62.640 -2.326 7.316 1.00 0.00 H new ATOM 0 HG23 ILE A 43 63.316 -3.346 8.608 1.00 0.00 H new ATOM 0 HD11 ILE A 43 66.395 -5.971 6.084 1.00 0.00 H new ATOM 0 HD12 ILE A 43 65.004 -5.758 4.994 1.00 0.00 H new ATOM 0 HD13 ILE A 43 65.973 -4.349 5.487 1.00 0.00 H new ATOM 664 N ARG A 44 60.491 -3.274 7.220 1.00 0.00 N ATOM 665 CA ARG A 44 59.363 -2.371 6.858 1.00 0.00 C ATOM 666 C ARG A 44 59.712 -0.928 7.223 1.00 0.00 C ATOM 667 O ARG A 44 58.936 -0.020 7.000 1.00 0.00 O ATOM 668 CB ARG A 44 58.098 -2.795 7.604 1.00 0.00 C ATOM 669 CG ARG A 44 56.926 -2.815 6.622 1.00 0.00 C ATOM 670 CD ARG A 44 55.607 -2.845 7.396 1.00 0.00 C ATOM 671 NE ARG A 44 55.233 -1.458 7.792 1.00 0.00 N ATOM 672 CZ ARG A 44 54.949 -1.189 9.037 1.00 0.00 C ATOM 673 NH1 ARG A 44 55.910 -0.968 9.891 1.00 0.00 N ATOM 674 NH2 ARG A 44 53.705 -1.140 9.430 1.00 0.00 N ATOM 0 H ARG A 44 60.780 -3.244 8.198 1.00 0.00 H new ATOM 0 HA ARG A 44 59.188 -2.438 5.784 1.00 0.00 H new ATOM 0 HB2 ARG A 44 58.235 -3.781 8.047 1.00 0.00 H new ATOM 0 HB3 ARG A 44 57.893 -2.104 8.421 1.00 0.00 H new ATOM 0 HG2 ARG A 44 56.962 -1.935 5.979 1.00 0.00 H new ATOM 0 HG3 ARG A 44 56.998 -3.687 5.972 1.00 0.00 H new ATOM 0 HD2 ARG A 44 54.821 -3.283 6.780 1.00 0.00 H new ATOM 0 HD3 ARG A 44 55.706 -3.473 8.281 1.00 0.00 H new ATOM 0 HE ARG A 44 55.199 -0.719 7.090 1.00 0.00 H new ATOM 0 HH11 ARG A 44 56.882 -1.006 9.585 1.00 0.00 H new ATOM 0 HH12 ARG A 44 55.689 -0.758 10.864 1.00 0.00 H new ATOM 0 HH21 ARG A 44 52.952 -1.312 8.763 1.00 0.00 H new ATOM 0 HH22 ARG A 44 53.486 -0.930 10.404 1.00 0.00 H new ATOM 688 N SER A 45 60.874 -0.705 7.770 1.00 0.00 N ATOM 689 CA SER A 45 61.268 0.685 8.128 1.00 0.00 C ATOM 690 C SER A 45 62.124 1.254 6.998 1.00 0.00 C ATOM 691 O SER A 45 62.745 0.522 6.254 1.00 0.00 O ATOM 692 CB SER A 45 62.066 0.678 9.432 1.00 0.00 C ATOM 693 OG SER A 45 61.211 1.027 10.516 1.00 0.00 O ATOM 0 H SER A 45 61.566 -1.423 7.984 1.00 0.00 H new ATOM 0 HA SER A 45 60.379 1.300 8.266 1.00 0.00 H new ATOM 0 HB2 SER A 45 62.499 -0.308 9.600 1.00 0.00 H new ATOM 0 HB3 SER A 45 62.894 1.383 9.367 1.00 0.00 H new ATOM 0 HG SER A 45 61.723 1.021 11.352 1.00 0.00 H new ATOM 699 N LYS A 46 62.153 2.547 6.847 1.00 0.00 N ATOM 700 CA LYS A 46 62.956 3.142 5.744 1.00 0.00 C ATOM 701 C LYS A 46 64.448 3.041 6.057 1.00 0.00 C ATOM 702 O LYS A 46 65.180 2.337 5.395 1.00 0.00 O ATOM 703 CB LYS A 46 62.566 4.611 5.562 1.00 0.00 C ATOM 704 CG LYS A 46 63.568 5.296 4.629 1.00 0.00 C ATOM 705 CD LYS A 46 63.169 6.760 4.435 1.00 0.00 C ATOM 706 CE LYS A 46 63.670 7.588 5.620 1.00 0.00 C ATOM 707 NZ LYS A 46 62.772 8.759 5.823 1.00 0.00 N ATOM 0 H LYS A 46 61.658 3.216 7.437 1.00 0.00 H new ATOM 0 HA LYS A 46 62.753 2.593 4.824 1.00 0.00 H new ATOM 0 HB2 LYS A 46 61.560 4.682 5.148 1.00 0.00 H new ATOM 0 HB3 LYS A 46 62.549 5.116 6.528 1.00 0.00 H new ATOM 0 HG2 LYS A 46 64.572 5.235 5.049 1.00 0.00 H new ATOM 0 HG3 LYS A 46 63.593 4.785 3.667 1.00 0.00 H new ATOM 0 HD2 LYS A 46 63.591 7.143 3.506 1.00 0.00 H new ATOM 0 HD3 LYS A 46 62.086 6.844 4.351 1.00 0.00 H new ATOM 0 HE2 LYS A 46 63.695 6.975 6.521 1.00 0.00 H new ATOM 0 HE3 LYS A 46 64.690 7.926 5.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 63.112 9.322 6.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 62.770 9.348 4.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 61.806 8.426 6.017 1.00 0.00 H new ATOM 721 N VAL A 47 64.915 3.745 7.048 1.00 0.00 N ATOM 722 CA VAL A 47 66.366 3.681 7.370 1.00 0.00 C ATOM 723 C VAL A 47 66.701 2.330 8.003 1.00 0.00 C ATOM 724 O VAL A 47 67.815 1.858 7.911 1.00 0.00 O ATOM 725 CB VAL A 47 66.731 4.818 8.321 1.00 0.00 C ATOM 726 CG1 VAL A 47 68.157 4.620 8.838 1.00 0.00 C ATOM 727 CG2 VAL A 47 66.642 6.146 7.560 1.00 0.00 C ATOM 0 H VAL A 47 64.360 4.358 7.645 1.00 0.00 H new ATOM 0 HA VAL A 47 66.944 3.788 6.452 1.00 0.00 H new ATOM 0 HB VAL A 47 66.044 4.827 9.167 1.00 0.00 H new ATOM 0 HG11 VAL A 47 68.414 5.433 9.517 1.00 0.00 H new ATOM 0 HG12 VAL A 47 68.223 3.670 9.369 1.00 0.00 H new ATOM 0 HG13 VAL A 47 68.851 4.615 7.998 1.00 0.00 H new ATOM 0 HG21 VAL A 47 66.901 6.967 8.229 1.00 0.00 H new ATOM 0 HG22 VAL A 47 67.336 6.131 6.719 1.00 0.00 H new ATOM 0 HG23 VAL A 47 65.626 6.286 7.190 1.00 0.00 H new ATOM 737 N GLU A 48 65.752 1.686 8.629 1.00 0.00 N ATOM 738 CA GLU A 48 66.051 0.358 9.234 1.00 0.00 C ATOM 739 C GLU A 48 66.440 -0.603 8.112 1.00 0.00 C ATOM 740 O GLU A 48 67.451 -1.275 8.176 1.00 0.00 O ATOM 741 CB GLU A 48 64.822 -0.183 9.964 1.00 0.00 C ATOM 742 CG GLU A 48 65.274 -1.049 11.140 1.00 0.00 C ATOM 743 CD GLU A 48 64.077 -1.827 11.688 1.00 0.00 C ATOM 744 OE1 GLU A 48 63.351 -1.268 12.492 1.00 0.00 O ATOM 745 OE2 GLU A 48 63.906 -2.969 11.293 1.00 0.00 O ATOM 0 H GLU A 48 64.795 2.018 8.746 1.00 0.00 H new ATOM 0 HA GLU A 48 66.864 0.457 9.953 1.00 0.00 H new ATOM 0 HB2 GLU A 48 64.204 0.641 10.321 1.00 0.00 H new ATOM 0 HB3 GLU A 48 64.208 -0.769 9.281 1.00 0.00 H new ATOM 0 HG2 GLU A 48 66.054 -1.739 10.819 1.00 0.00 H new ATOM 0 HG3 GLU A 48 65.704 -0.424 11.922 1.00 0.00 H new ATOM 752 N LEU A 49 65.657 -0.656 7.069 1.00 0.00 N ATOM 753 CA LEU A 49 66.007 -1.554 5.939 1.00 0.00 C ATOM 754 C LEU A 49 67.232 -0.963 5.242 1.00 0.00 C ATOM 755 O LEU A 49 68.004 -1.655 4.606 1.00 0.00 O ATOM 756 CB LEU A 49 64.822 -1.653 4.969 1.00 0.00 C ATOM 757 CG LEU A 49 64.780 -0.428 4.053 1.00 0.00 C ATOM 758 CD1 LEU A 49 65.631 -0.692 2.812 1.00 0.00 C ATOM 759 CD2 LEU A 49 63.334 -0.158 3.629 1.00 0.00 C ATOM 0 H LEU A 49 64.797 -0.120 6.953 1.00 0.00 H new ATOM 0 HA LEU A 49 66.231 -2.560 6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 49 64.908 -2.560 4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 49 63.890 -1.728 5.529 1.00 0.00 H new ATOM 0 HG LEU A 49 65.171 0.438 4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 49 65.602 0.180 2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 49 66.661 -0.887 3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 49 65.238 -1.558 2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 49 63.303 0.715 2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 49 62.944 -1.024 3.095 1.00 0.00 H new ATOM 0 HD23 LEU A 49 62.724 0.028 4.513 1.00 0.00 H new ATOM 771 N THR A 50 67.423 0.320 5.390 1.00 0.00 N ATOM 772 CA THR A 50 68.603 0.984 4.777 1.00 0.00 C ATOM 773 C THR A 50 69.860 0.442 5.447 1.00 0.00 C ATOM 774 O THR A 50 70.640 -0.269 4.847 1.00 0.00 O ATOM 775 CB THR A 50 68.514 2.490 5.020 1.00 0.00 C ATOM 776 OG1 THR A 50 67.257 2.965 4.568 1.00 0.00 O ATOM 777 CG2 THR A 50 69.639 3.201 4.266 1.00 0.00 C ATOM 0 H THR A 50 66.805 0.940 5.914 1.00 0.00 H new ATOM 0 HA THR A 50 68.632 0.790 3.705 1.00 0.00 H new ATOM 0 HB THR A 50 68.616 2.694 6.086 1.00 0.00 H new ATOM 0 HG1 THR A 50 66.545 2.588 5.126 1.00 0.00 H new ATOM 0 HG21 THR A 50 69.573 4.275 4.441 1.00 0.00 H new ATOM 0 HG22 THR A 50 70.603 2.834 4.620 1.00 0.00 H new ATOM 0 HG23 THR A 50 69.545 3.001 3.199 1.00 0.00 H new ATOM 785 N ARG A 51 70.050 0.769 6.698 1.00 0.00 N ATOM 786 CA ARG A 51 71.247 0.265 7.427 1.00 0.00 C ATOM 787 C ARG A 51 71.445 -1.208 7.078 1.00 0.00 C ATOM 788 O ARG A 51 72.554 -1.702 7.025 1.00 0.00 O ATOM 789 CB ARG A 51 71.055 0.413 8.946 1.00 0.00 C ATOM 790 CG ARG A 51 69.565 0.510 9.296 1.00 0.00 C ATOM 791 CD ARG A 51 69.286 -0.295 10.567 1.00 0.00 C ATOM 792 NE ARG A 51 69.136 0.634 11.721 1.00 0.00 N ATOM 793 CZ ARG A 51 69.722 0.365 12.856 1.00 0.00 C ATOM 794 NH1 ARG A 51 69.194 -0.506 13.672 1.00 0.00 N ATOM 795 NH2 ARG A 51 70.834 0.967 13.174 1.00 0.00 N ATOM 0 H ARG A 51 69.427 1.363 7.245 1.00 0.00 H new ATOM 0 HA ARG A 51 72.121 0.845 7.132 1.00 0.00 H new ATOM 0 HB2 ARG A 51 71.500 -0.440 9.459 1.00 0.00 H new ATOM 0 HB3 ARG A 51 71.575 1.303 9.299 1.00 0.00 H new ATOM 0 HG2 ARG A 51 69.282 1.552 9.444 1.00 0.00 H new ATOM 0 HG3 ARG A 51 68.961 0.130 8.472 1.00 0.00 H new ATOM 0 HD2 ARG A 51 68.379 -0.887 10.443 1.00 0.00 H new ATOM 0 HD3 ARG A 51 70.101 -0.995 10.753 1.00 0.00 H new ATOM 0 HE ARG A 51 68.575 1.481 11.625 1.00 0.00 H new ATOM 0 HH11 ARG A 51 68.324 -0.976 13.423 1.00 0.00 H new ATOM 0 HH12 ARG A 51 69.652 -0.717 14.559 1.00 0.00 H new ATOM 0 HH21 ARG A 51 71.246 1.648 12.536 1.00 0.00 H new ATOM 0 HH22 ARG A 51 71.292 0.757 14.061 1.00 0.00 H new ATOM 809 N TYR A 52 70.374 -1.913 6.823 1.00 0.00 N ATOM 810 CA TYR A 52 70.505 -3.348 6.459 1.00 0.00 C ATOM 811 C TYR A 52 71.449 -3.467 5.262 1.00 0.00 C ATOM 812 O TYR A 52 72.456 -4.145 5.319 1.00 0.00 O ATOM 813 CB TYR A 52 69.133 -3.916 6.091 1.00 0.00 C ATOM 814 CG TYR A 52 69.227 -5.418 5.988 1.00 0.00 C ATOM 815 CD1 TYR A 52 69.194 -6.204 7.146 1.00 0.00 C ATOM 816 CD2 TYR A 52 69.353 -6.025 4.733 1.00 0.00 C ATOM 817 CE1 TYR A 52 69.286 -7.597 7.049 1.00 0.00 C ATOM 818 CE2 TYR A 52 69.445 -7.418 4.636 1.00 0.00 C ATOM 819 CZ TYR A 52 69.412 -8.204 5.794 1.00 0.00 C ATOM 820 OH TYR A 52 69.504 -9.578 5.697 1.00 0.00 O ATOM 0 H TYR A 52 69.419 -1.556 6.852 1.00 0.00 H new ATOM 0 HA TYR A 52 70.904 -3.909 7.304 1.00 0.00 H new ATOM 0 HB2 TYR A 52 68.397 -3.637 6.845 1.00 0.00 H new ATOM 0 HB3 TYR A 52 68.795 -3.495 5.144 1.00 0.00 H new ATOM 0 HD1 TYR A 52 69.098 -5.735 8.114 1.00 0.00 H new ATOM 0 HD2 TYR A 52 69.379 -5.418 3.840 1.00 0.00 H new ATOM 0 HE1 TYR A 52 69.260 -8.204 7.942 1.00 0.00 H new ATOM 0 HE2 TYR A 52 69.541 -7.887 3.668 1.00 0.00 H new ATOM 0 HH TYR A 52 69.585 -9.835 4.755 1.00 0.00 H new ATOM 830 N LEU A 53 71.141 -2.801 4.180 1.00 0.00 N ATOM 831 CA LEU A 53 72.036 -2.872 2.989 1.00 0.00 C ATOM 832 C LEU A 53 73.383 -2.237 3.335 1.00 0.00 C ATOM 833 O LEU A 53 74.430 -2.748 2.992 1.00 0.00 O ATOM 834 CB LEU A 53 71.416 -2.104 1.818 1.00 0.00 C ATOM 835 CG LEU A 53 69.899 -2.288 1.816 1.00 0.00 C ATOM 836 CD1 LEU A 53 69.227 -0.937 2.065 1.00 0.00 C ATOM 837 CD2 LEU A 53 69.456 -2.833 0.456 1.00 0.00 C ATOM 0 H LEU A 53 70.314 -2.215 4.070 1.00 0.00 H new ATOM 0 HA LEU A 53 72.170 -3.916 2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 53 71.662 -1.045 1.896 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.835 -2.460 0.877 1.00 0.00 H new ATOM 0 HG LEU A 53 69.613 -2.989 2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 53 68.144 -1.064 2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 53 69.546 -0.544 3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 53 69.511 -0.239 1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 53 68.374 -2.965 0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 53 69.739 -2.130 -0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 53 69.939 -3.793 0.274 1.00 0.00 H new ATOM 849 N GLY A 54 73.362 -1.119 4.008 1.00 0.00 N ATOM 850 CA GLY A 54 74.638 -0.441 4.373 1.00 0.00 C ATOM 851 C GLY A 54 74.774 0.852 3.562 1.00 0.00 C ATOM 852 O GLY A 54 73.786 1.439 3.166 1.00 0.00 O ATOM 0 H GLY A 54 72.515 -0.645 4.321 1.00 0.00 H new ATOM 0 HA2 GLY A 54 74.653 -0.218 5.440 1.00 0.00 H new ATOM 0 HA3 GLY A 54 75.483 -1.100 4.174 1.00 0.00 H new ATOM 856 N PRO A 55 75.998 1.254 3.337 1.00 0.00 N ATOM 857 CA PRO A 55 76.303 2.474 2.570 1.00 0.00 C ATOM 858 C PRO A 55 76.160 2.205 1.070 1.00 0.00 C ATOM 859 O PRO A 55 76.168 3.112 0.261 1.00 0.00 O ATOM 860 CB PRO A 55 77.759 2.773 2.938 1.00 0.00 C ATOM 861 CG PRO A 55 78.370 1.436 3.422 1.00 0.00 C ATOM 862 CD PRO A 55 77.189 0.532 3.827 1.00 0.00 C ATOM 0 HA PRO A 55 75.635 3.305 2.795 1.00 0.00 H new ATOM 0 HB2 PRO A 55 78.305 3.161 2.078 1.00 0.00 H new ATOM 0 HB3 PRO A 55 77.814 3.531 3.719 1.00 0.00 H new ATOM 0 HG2 PRO A 55 78.960 0.971 2.632 1.00 0.00 H new ATOM 0 HG3 PRO A 55 79.040 1.599 4.266 1.00 0.00 H new ATOM 0 HD2 PRO A 55 77.270 -0.456 3.375 1.00 0.00 H new ATOM 0 HD3 PRO A 55 77.151 0.386 4.907 1.00 0.00 H new ATOM 870 N ALA A 56 76.025 0.962 0.694 1.00 0.00 N ATOM 871 CA ALA A 56 75.877 0.628 -0.751 1.00 0.00 C ATOM 872 C ALA A 56 74.490 1.059 -1.232 1.00 0.00 C ATOM 873 O ALA A 56 74.307 1.439 -2.372 1.00 0.00 O ATOM 874 CB ALA A 56 76.039 -0.882 -0.942 1.00 0.00 C ATOM 0 H ALA A 56 76.011 0.162 1.327 1.00 0.00 H new ATOM 0 HA ALA A 56 76.640 1.151 -1.328 1.00 0.00 H new ATOM 0 HB1 ALA A 56 75.931 -1.129 -1.998 1.00 0.00 H new ATOM 0 HB2 ALA A 56 77.026 -1.189 -0.597 1.00 0.00 H new ATOM 0 HB3 ALA A 56 75.275 -1.405 -0.367 1.00 0.00 H new ATOM 880 N CYS A 57 73.510 1.005 -0.371 1.00 0.00 N ATOM 881 CA CYS A 57 72.137 1.415 -0.779 1.00 0.00 C ATOM 882 C CYS A 57 71.658 2.548 0.130 1.00 0.00 C ATOM 883 O CYS A 57 71.188 2.319 1.227 1.00 0.00 O ATOM 884 CB CYS A 57 71.187 0.221 -0.651 1.00 0.00 C ATOM 885 SG CYS A 57 71.223 -0.745 -2.181 1.00 0.00 S ATOM 0 H CYS A 57 73.601 0.695 0.596 1.00 0.00 H new ATOM 0 HA CYS A 57 72.150 1.757 -1.814 1.00 0.00 H new ATOM 0 HB2 CYS A 57 71.482 -0.403 0.193 1.00 0.00 H new ATOM 0 HB3 CYS A 57 70.173 0.569 -0.452 1.00 0.00 H new ATOM 0 HG CYS A 57 71.411 -2.000 -1.898 1.00 0.00 H new ATOM 891 N ASP A 58 71.777 3.769 -0.314 1.00 0.00 N ATOM 892 CA ASP A 58 71.332 4.914 0.529 1.00 0.00 C ATOM 893 C ASP A 58 69.804 4.993 0.528 1.00 0.00 C ATOM 894 O ASP A 58 69.163 4.831 -0.492 1.00 0.00 O ATOM 895 CB ASP A 58 71.913 6.216 -0.029 1.00 0.00 C ATOM 896 CG ASP A 58 71.578 7.370 0.917 1.00 0.00 C ATOM 897 OD1 ASP A 58 70.429 7.471 1.314 1.00 0.00 O ATOM 898 OD2 ASP A 58 72.477 8.134 1.229 1.00 0.00 O ATOM 0 H ASP A 58 72.163 4.023 -1.223 1.00 0.00 H new ATOM 0 HA ASP A 58 71.684 4.768 1.550 1.00 0.00 H new ATOM 0 HB2 ASP A 58 72.993 6.126 -0.142 1.00 0.00 H new ATOM 0 HB3 ASP A 58 71.505 6.414 -1.020 1.00 0.00 H new ATOM 903 N LEU A 59 69.217 5.234 1.668 1.00 0.00 N ATOM 904 CA LEU A 59 67.735 5.320 1.751 1.00 0.00 C ATOM 905 C LEU A 59 67.341 6.422 2.735 1.00 0.00 C ATOM 906 O LEU A 59 66.186 6.577 3.078 1.00 0.00 O ATOM 907 CB LEU A 59 67.191 3.986 2.249 1.00 0.00 C ATOM 908 CG LEU A 59 66.520 3.257 1.098 1.00 0.00 C ATOM 909 CD1 LEU A 59 67.189 1.898 0.892 1.00 0.00 C ATOM 910 CD2 LEU A 59 65.042 3.056 1.432 1.00 0.00 C ATOM 0 H LEU A 59 69.706 5.376 2.552 1.00 0.00 H new ATOM 0 HA LEU A 59 67.324 5.548 0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 59 68.000 3.380 2.657 1.00 0.00 H new ATOM 0 HB3 LEU A 59 66.477 4.150 3.056 1.00 0.00 H new ATOM 0 HG LEU A 59 66.615 3.844 0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 59 66.706 1.376 0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 59 68.245 2.043 0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 59 67.094 1.304 1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 59 64.551 2.533 0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 59 64.952 2.465 2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 59 64.567 4.026 1.580 1.00 0.00 H new ATOM 922 N THR A 60 68.293 7.183 3.196 1.00 0.00 N ATOM 923 CA THR A 60 67.978 8.268 4.162 1.00 0.00 C ATOM 924 C THR A 60 66.936 9.208 3.557 1.00 0.00 C ATOM 925 O THR A 60 66.164 9.830 4.259 1.00 0.00 O ATOM 926 CB THR A 60 69.255 9.049 4.468 1.00 0.00 C ATOM 927 OG1 THR A 60 70.215 8.178 5.049 1.00 0.00 O ATOM 928 CG2 THR A 60 68.933 10.179 5.439 1.00 0.00 C ATOM 0 H THR A 60 69.278 7.099 2.944 1.00 0.00 H new ATOM 0 HA THR A 60 67.580 7.837 5.081 1.00 0.00 H new ATOM 0 HB THR A 60 69.660 9.467 3.546 1.00 0.00 H new ATOM 0 HG1 THR A 60 71.035 8.678 5.244 1.00 0.00 H new ATOM 0 HG21 THR A 60 69.842 10.739 5.660 1.00 0.00 H new ATOM 0 HG22 THR A 60 68.196 10.845 4.990 1.00 0.00 H new ATOM 0 HG23 THR A 60 68.530 9.762 6.362 1.00 0.00 H new ATOM 936 N LEU A 61 66.910 9.320 2.259 1.00 0.00 N ATOM 937 CA LEU A 61 65.922 10.223 1.608 1.00 0.00 C ATOM 938 C LEU A 61 64.839 9.388 0.929 1.00 0.00 C ATOM 939 O LEU A 61 63.829 9.900 0.492 1.00 0.00 O ATOM 940 CB LEU A 61 66.634 11.079 0.560 1.00 0.00 C ATOM 941 CG LEU A 61 67.421 12.196 1.252 1.00 0.00 C ATOM 942 CD1 LEU A 61 66.450 13.278 1.728 1.00 0.00 C ATOM 943 CD2 LEU A 61 68.181 11.628 2.456 1.00 0.00 C ATOM 0 H LEU A 61 67.531 8.824 1.620 1.00 0.00 H new ATOM 0 HA LEU A 61 65.466 10.867 2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 61 67.308 10.460 -0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 61 65.906 11.507 -0.129 1.00 0.00 H new ATOM 0 HG LEU A 61 68.134 12.625 0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 61 67.007 14.075 2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 61 65.913 13.687 0.872 1.00 0.00 H new ATOM 0 HD13 LEU A 61 65.738 12.844 2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 61 68.739 12.427 2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 61 67.472 11.196 3.163 1.00 0.00 H new ATOM 0 HD23 LEU A 61 68.873 10.856 2.118 1.00 0.00 H new ATOM 955 N PHE A 62 65.044 8.105 0.835 1.00 0.00 N ATOM 956 CA PHE A 62 64.027 7.238 0.181 1.00 0.00 C ATOM 957 C PHE A 62 62.633 7.613 0.688 1.00 0.00 C ATOM 958 O PHE A 62 62.393 7.689 1.876 1.00 0.00 O ATOM 959 CB PHE A 62 64.316 5.774 0.515 1.00 0.00 C ATOM 960 CG PHE A 62 63.247 4.896 -0.090 1.00 0.00 C ATOM 961 CD1 PHE A 62 62.035 4.702 0.584 1.00 0.00 C ATOM 962 CD2 PHE A 62 63.468 4.273 -1.324 1.00 0.00 C ATOM 963 CE1 PHE A 62 61.045 3.886 0.023 1.00 0.00 C ATOM 964 CE2 PHE A 62 62.477 3.457 -1.884 1.00 0.00 C ATOM 965 CZ PHE A 62 61.267 3.264 -1.210 1.00 0.00 C ATOM 0 H PHE A 62 65.871 7.620 1.182 1.00 0.00 H new ATOM 0 HA PHE A 62 64.069 7.379 -0.899 1.00 0.00 H new ATOM 0 HB2 PHE A 62 65.295 5.489 0.130 1.00 0.00 H new ATOM 0 HB3 PHE A 62 64.346 5.636 1.596 1.00 0.00 H new ATOM 0 HD1 PHE A 62 61.864 5.182 1.536 1.00 0.00 H new ATOM 0 HD2 PHE A 62 64.403 4.422 -1.844 1.00 0.00 H new ATOM 0 HE1 PHE A 62 60.110 3.737 0.542 1.00 0.00 H new ATOM 0 HE2 PHE A 62 62.647 2.977 -2.836 1.00 0.00 H new ATOM 0 HZ PHE A 62 60.503 2.634 -1.642 1.00 0.00 H new ATOM 975 N ASP A 63 61.713 7.848 -0.206 1.00 0.00 N ATOM 976 CA ASP A 63 60.334 8.217 0.221 1.00 0.00 C ATOM 977 C ASP A 63 59.578 6.952 0.626 1.00 0.00 C ATOM 978 O ASP A 63 59.105 6.207 -0.209 1.00 0.00 O ATOM 979 CB ASP A 63 59.605 8.901 -0.937 1.00 0.00 C ATOM 980 CG ASP A 63 60.495 9.999 -1.523 1.00 0.00 C ATOM 981 OD1 ASP A 63 61.406 10.427 -0.833 1.00 0.00 O ATOM 982 OD2 ASP A 63 60.251 10.392 -2.652 1.00 0.00 O ATOM 0 H ASP A 63 61.857 7.800 -1.215 1.00 0.00 H new ATOM 0 HA ASP A 63 60.384 8.901 1.068 1.00 0.00 H new ATOM 0 HB2 ASP A 63 59.357 8.170 -1.707 1.00 0.00 H new ATOM 0 HB3 ASP A 63 58.665 9.328 -0.587 1.00 0.00 H new ATOM 987 N PHE A 64 59.467 6.701 1.900 1.00 0.00 N ATOM 988 CA PHE A 64 58.748 5.480 2.354 1.00 0.00 C ATOM 989 C PHE A 64 57.271 5.592 1.975 1.00 0.00 C ATOM 990 O PHE A 64 56.419 5.806 2.814 1.00 0.00 O ATOM 991 CB PHE A 64 58.883 5.344 3.870 1.00 0.00 C ATOM 992 CG PHE A 64 59.129 3.896 4.216 1.00 0.00 C ATOM 993 CD1 PHE A 64 60.288 3.258 3.757 1.00 0.00 C ATOM 994 CD2 PHE A 64 58.200 3.191 4.989 1.00 0.00 C ATOM 995 CE1 PHE A 64 60.518 1.914 4.071 1.00 0.00 C ATOM 996 CE2 PHE A 64 58.431 1.846 5.304 1.00 0.00 C ATOM 997 CZ PHE A 64 59.591 1.208 4.844 1.00 0.00 C ATOM 0 H PHE A 64 59.843 7.288 2.645 1.00 0.00 H new ATOM 0 HA PHE A 64 59.179 4.601 1.874 1.00 0.00 H new ATOM 0 HB2 PHE A 64 59.705 5.962 4.231 1.00 0.00 H new ATOM 0 HB3 PHE A 64 57.977 5.699 4.362 1.00 0.00 H new ATOM 0 HD1 PHE A 64 61.004 3.803 3.161 1.00 0.00 H new ATOM 0 HD2 PHE A 64 57.306 3.683 5.342 1.00 0.00 H new ATOM 0 HE1 PHE A 64 61.412 1.422 3.716 1.00 0.00 H new ATOM 0 HE2 PHE A 64 57.715 1.301 5.901 1.00 0.00 H new ATOM 0 HZ PHE A 64 59.769 0.171 5.087 1.00 0.00 H new ATOM 1007 N LYS A 65 56.966 5.453 0.714 1.00 0.00 N ATOM 1008 CA LYS A 65 55.548 5.553 0.266 1.00 0.00 C ATOM 1009 C LYS A 65 55.517 5.690 -1.259 1.00 0.00 C ATOM 1010 O LYS A 65 54.725 5.063 -1.935 1.00 0.00 O ATOM 1011 CB LYS A 65 54.896 6.783 0.908 1.00 0.00 C ATOM 1012 CG LYS A 65 53.591 7.120 0.181 1.00 0.00 C ATOM 1013 CD LYS A 65 53.823 8.302 -0.763 1.00 0.00 C ATOM 1014 CE LYS A 65 52.502 9.038 -0.996 1.00 0.00 C ATOM 1015 NZ LYS A 65 52.025 9.621 0.290 1.00 0.00 N ATOM 0 H LYS A 65 57.641 5.274 -0.029 1.00 0.00 H new ATOM 0 HA LYS A 65 55.000 4.660 0.565 1.00 0.00 H new ATOM 0 HB2 LYS A 65 54.696 6.591 1.962 1.00 0.00 H new ATOM 0 HB3 LYS A 65 55.578 7.632 0.862 1.00 0.00 H new ATOM 0 HG2 LYS A 65 53.242 6.254 -0.382 1.00 0.00 H new ATOM 0 HG3 LYS A 65 52.813 7.365 0.904 1.00 0.00 H new ATOM 0 HD2 LYS A 65 54.560 8.982 -0.336 1.00 0.00 H new ATOM 0 HD3 LYS A 65 54.227 7.949 -1.712 1.00 0.00 H new ATOM 0 HE2 LYS A 65 52.638 9.826 -1.737 1.00 0.00 H new ATOM 0 HE3 LYS A 65 51.756 8.351 -1.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 51.851 10.639 0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 51.143 9.151 0.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 52.748 9.480 1.024 1.00 0.00 H new ATOM 1029 N GLN A 66 56.378 6.506 -1.803 1.00 0.00 N ATOM 1030 CA GLN A 66 56.406 6.686 -3.281 1.00 0.00 C ATOM 1031 C GLN A 66 57.296 5.609 -3.905 1.00 0.00 C ATOM 1032 O GLN A 66 56.945 4.997 -4.895 1.00 0.00 O ATOM 1033 CB GLN A 66 56.965 8.071 -3.613 1.00 0.00 C ATOM 1034 CG GLN A 66 55.808 9.039 -3.864 1.00 0.00 C ATOM 1035 CD GLN A 66 56.247 10.463 -3.515 1.00 0.00 C ATOM 1036 OE1 GLN A 66 55.430 11.298 -3.180 1.00 0.00 O ATOM 1037 NE2 GLN A 66 57.513 10.778 -3.578 1.00 0.00 N ATOM 0 H GLN A 66 57.064 7.056 -1.286 1.00 0.00 H new ATOM 0 HA GLN A 66 55.396 6.598 -3.681 1.00 0.00 H new ATOM 0 HB2 GLN A 66 57.584 8.432 -2.792 1.00 0.00 H new ATOM 0 HB3 GLN A 66 57.605 8.016 -4.494 1.00 0.00 H new ATOM 0 HG2 GLN A 66 55.498 8.988 -4.908 1.00 0.00 H new ATOM 0 HG3 GLN A 66 54.945 8.755 -3.261 1.00 0.00 H new ATOM 0 HE21 GLN A 66 58.199 10.078 -3.859 1.00 0.00 H new ATOM 0 HE22 GLN A 66 57.815 11.724 -3.346 1.00 0.00 H new ATOM 1046 N GLY A 67 58.443 5.367 -3.331 1.00 0.00 N ATOM 1047 CA GLY A 67 59.350 4.324 -3.888 1.00 0.00 C ATOM 1048 C GLY A 67 60.568 4.986 -4.538 1.00 0.00 C ATOM 1049 O GLY A 67 61.190 4.427 -5.419 1.00 0.00 O ATOM 0 H GLY A 67 58.791 5.846 -2.501 1.00 0.00 H new ATOM 0 HA2 GLY A 67 59.672 3.649 -3.095 1.00 0.00 H new ATOM 0 HA3 GLY A 67 58.817 3.721 -4.623 1.00 0.00 H new ATOM 1053 N ILE A 68 60.915 6.170 -4.112 1.00 0.00 N ATOM 1054 CA ILE A 68 62.096 6.858 -4.709 1.00 0.00 C ATOM 1055 C ILE A 68 62.882 7.571 -3.607 1.00 0.00 C ATOM 1056 O ILE A 68 62.381 7.798 -2.525 1.00 0.00 O ATOM 1057 CB ILE A 68 61.623 7.880 -5.744 1.00 0.00 C ATOM 1058 CG1 ILE A 68 60.869 9.009 -5.038 1.00 0.00 C ATOM 1059 CG2 ILE A 68 60.693 7.197 -6.749 1.00 0.00 C ATOM 1060 CD1 ILE A 68 61.446 10.357 -5.473 1.00 0.00 C ATOM 0 H ILE A 68 60.433 6.690 -3.378 1.00 0.00 H new ATOM 0 HA ILE A 68 62.738 6.123 -5.194 1.00 0.00 H new ATOM 0 HB ILE A 68 62.486 8.291 -6.269 1.00 0.00 H new ATOM 0 HG12 ILE A 68 59.808 8.960 -5.282 1.00 0.00 H new ATOM 0 HG13 ILE A 68 60.953 8.897 -3.957 1.00 0.00 H new ATOM 0 HG21 ILE A 68 60.356 7.926 -7.486 1.00 0.00 H new ATOM 0 HG22 ILE A 68 61.229 6.393 -7.252 1.00 0.00 H new ATOM 0 HG23 ILE A 68 59.830 6.786 -6.225 1.00 0.00 H new ATOM 0 HD11 ILE A 68 60.909 11.162 -4.970 1.00 0.00 H new ATOM 0 HD12 ILE A 68 62.502 10.404 -5.207 1.00 0.00 H new ATOM 0 HD13 ILE A 68 61.338 10.468 -6.552 1.00 0.00 H new ATOM 1072 N LEU A 69 64.110 7.927 -3.870 1.00 0.00 N ATOM 1073 CA LEU A 69 64.922 8.622 -2.836 1.00 0.00 C ATOM 1074 C LEU A 69 65.612 9.834 -3.460 1.00 0.00 C ATOM 1075 O LEU A 69 65.994 9.821 -4.613 1.00 0.00 O ATOM 1076 CB LEU A 69 65.986 7.666 -2.294 1.00 0.00 C ATOM 1077 CG LEU A 69 66.947 7.284 -3.421 1.00 0.00 C ATOM 1078 CD1 LEU A 69 68.284 6.834 -2.829 1.00 0.00 C ATOM 1079 CD2 LEU A 69 66.342 6.143 -4.241 1.00 0.00 C ATOM 0 H LEU A 69 64.585 7.765 -4.758 1.00 0.00 H new ATOM 0 HA LEU A 69 64.271 8.946 -2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 69 66.534 8.138 -1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 69 65.514 6.773 -1.885 1.00 0.00 H new ATOM 0 HG LEU A 69 67.111 8.149 -4.064 1.00 0.00 H new ATOM 0 HD11 LEU A 69 68.966 6.563 -3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 69 68.716 7.648 -2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 69 68.124 5.971 -2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 69 67.026 5.870 -5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 69 66.176 5.280 -3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 69 65.392 6.465 -4.667 1.00 0.00 H new ATOM 1091 N CYS A 70 65.781 10.879 -2.703 1.00 0.00 N ATOM 1092 CA CYS A 70 66.457 12.088 -3.244 1.00 0.00 C ATOM 1093 C CYS A 70 67.567 12.506 -2.279 1.00 0.00 C ATOM 1094 O CYS A 70 68.159 11.684 -1.608 1.00 0.00 O ATOM 1095 CB CYS A 70 65.442 13.225 -3.386 1.00 0.00 C ATOM 1096 SG CYS A 70 64.015 12.646 -4.336 1.00 0.00 S ATOM 0 H CYS A 70 65.480 10.948 -1.731 1.00 0.00 H new ATOM 0 HA CYS A 70 66.882 11.868 -4.223 1.00 0.00 H new ATOM 0 HB2 CYS A 70 65.122 13.566 -2.401 1.00 0.00 H new ATOM 0 HB3 CYS A 70 65.903 14.078 -3.885 1.00 0.00 H new ATOM 0 HG CYS A 70 63.152 13.611 -4.455 1.00 0.00 H new