USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 507 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 59 MET CE :methyl -114:sc= -0.0188 (180deg=-0.315) USER MOD Set 1.2: A 63 THR OG1 : rot 180:sc= 0.0132 USER MOD Set 1.3: A 71 MET CE :methyl 180:sc=-0.00439 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 172:sc= -2.94! USER MOD Single : A 15 GLN : amide:sc=-0.00835 K(o=-0.0084,f=-1) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 22:sc= 0.187! USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -72:sc= 0.31 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 158:sc= -4.48! (180deg=-5.41!) USER MOD Single : A 47 SER OG : rot 180:sc= -0.284 USER MOD Single : A 48 LYS NZ :NH3+ -147:sc= -0.175 (180deg=-3.06!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 130:sc= -0.114 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -2.35 USER MOD Single : A 70 LYS NZ :NH3+ 163:sc= -0.034 (180deg=-0.414) USER MOD ----------------------------------------------------------------- ATOM 53 N ARG A 5 -13.226 6.414 -4.698 1.00 0.00 N ATOM 54 CA ARG A 5 -11.950 6.318 -3.934 1.00 0.00 C ATOM 55 C ARG A 5 -10.768 6.413 -4.901 1.00 0.00 C ATOM 56 O ARG A 5 -10.817 5.913 -6.006 1.00 0.00 O ATOM 57 CB ARG A 5 -11.897 4.980 -3.194 1.00 0.00 C ATOM 58 CG ARG A 5 -13.067 4.892 -2.211 1.00 0.00 C ATOM 59 CD ARG A 5 -13.070 3.517 -1.541 1.00 0.00 C ATOM 60 NE ARG A 5 -13.371 2.470 -2.558 1.00 0.00 N ATOM 61 CZ ARG A 5 -13.375 1.211 -2.215 1.00 0.00 C ATOM 62 NH1 ARG A 5 -13.114 0.869 -0.984 1.00 0.00 N ATOM 63 NH2 ARG A 5 -13.639 0.294 -3.105 1.00 0.00 N ATOM 0 HA ARG A 5 -11.897 7.134 -3.213 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.944 4.156 -3.906 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.952 4.885 -2.660 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -12.982 5.675 -1.457 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -14.009 5.055 -2.735 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -12.102 3.323 -1.080 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -13.814 3.490 -0.745 1.00 0.00 H new ATOM 0 HE ARG A 5 -13.574 2.737 -3.521 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.907 1.586 -0.289 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -13.117 -0.115 -0.717 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -13.842 0.562 -4.068 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -13.642 -0.690 -2.838 1.00 0.00 H new ATOM 77 N LYS A 6 -9.706 7.053 -4.492 1.00 0.00 N ATOM 78 CA LYS A 6 -8.523 7.179 -5.390 1.00 0.00 C ATOM 79 C LYS A 6 -7.823 5.824 -5.505 1.00 0.00 C ATOM 80 O LYS A 6 -7.923 4.986 -4.630 1.00 0.00 O ATOM 81 CB LYS A 6 -7.550 8.207 -4.808 1.00 0.00 C ATOM 82 CG LYS A 6 -8.157 9.606 -4.920 1.00 0.00 C ATOM 83 CD LYS A 6 -8.794 9.996 -3.585 1.00 0.00 C ATOM 84 CE LYS A 6 -7.737 10.633 -2.680 1.00 0.00 C ATOM 85 NZ LYS A 6 -7.837 12.118 -2.770 1.00 0.00 N ATOM 0 H LYS A 6 -9.607 7.493 -3.577 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.849 7.504 -6.378 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.339 7.973 -3.764 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.601 8.167 -5.342 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.386 10.327 -5.191 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.906 9.626 -5.712 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.614 10.695 -3.752 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.219 9.116 -3.102 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.882 10.310 -1.649 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.741 10.306 -2.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.119 12.552 -2.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.678 12.418 -3.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.784 12.421 -2.464 1.00 0.00 H new ATOM 99 N ARG A 7 -7.117 5.600 -6.578 1.00 0.00 N ATOM 100 CA ARG A 7 -6.420 4.293 -6.753 1.00 0.00 C ATOM 101 C ARG A 7 -5.200 4.485 -7.655 1.00 0.00 C ATOM 102 O ARG A 7 -5.216 5.270 -8.582 1.00 0.00 O ATOM 103 CB ARG A 7 -7.377 3.287 -7.395 1.00 0.00 C ATOM 104 CG ARG A 7 -6.699 1.918 -7.475 1.00 0.00 C ATOM 105 CD ARG A 7 -7.669 0.903 -8.085 1.00 0.00 C ATOM 106 NE ARG A 7 -7.952 1.275 -9.500 1.00 0.00 N ATOM 107 CZ ARG A 7 -8.862 0.627 -10.175 1.00 0.00 C ATOM 108 NH1 ARG A 7 -9.526 -0.345 -9.610 1.00 0.00 N ATOM 109 NH2 ARG A 7 -9.111 0.953 -11.414 1.00 0.00 N ATOM 0 H ARG A 7 -6.992 6.264 -7.342 1.00 0.00 H new ATOM 0 HA ARG A 7 -6.099 3.918 -5.781 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -8.294 3.217 -6.810 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.660 3.623 -8.392 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -5.795 1.983 -8.081 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -6.394 1.593 -6.480 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -7.241 -0.098 -8.040 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -8.596 0.879 -7.512 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.435 2.036 -9.941 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -9.334 -0.598 -8.641 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.237 -0.851 -10.138 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.594 1.714 -11.855 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.822 0.447 -11.942 1.00 0.00 H new ATOM 123 N TRP A 8 -4.139 3.771 -7.393 1.00 0.00 N ATOM 124 CA TRP A 8 -2.913 3.923 -8.226 1.00 0.00 C ATOM 125 C TRP A 8 -1.958 2.760 -7.948 1.00 0.00 C ATOM 126 O TRP A 8 -1.790 2.337 -6.821 1.00 0.00 O ATOM 127 CB TRP A 8 -2.221 5.243 -7.881 1.00 0.00 C ATOM 128 CG TRP A 8 -2.681 5.708 -6.535 1.00 0.00 C ATOM 129 CD1 TRP A 8 -2.810 4.920 -5.443 1.00 0.00 C ATOM 130 CD2 TRP A 8 -3.070 7.049 -6.119 1.00 0.00 C ATOM 131 NE1 TRP A 8 -3.256 5.691 -4.386 1.00 0.00 N ATOM 132 CE2 TRP A 8 -3.430 7.010 -4.752 1.00 0.00 C ATOM 133 CE3 TRP A 8 -3.145 8.282 -6.790 1.00 0.00 C ATOM 134 CZ2 TRP A 8 -3.851 8.155 -4.074 1.00 0.00 C ATOM 135 CZ3 TRP A 8 -3.567 9.438 -6.111 1.00 0.00 C ATOM 136 CH2 TRP A 8 -3.919 9.374 -4.755 1.00 0.00 C ATOM 0 H TRP A 8 -4.069 3.089 -6.638 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.190 3.922 -9.280 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -1.139 5.110 -7.882 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -2.451 5.995 -8.636 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -2.599 3.862 -5.404 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -3.435 5.329 -3.449 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -2.877 8.341 -7.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -4.122 8.100 -3.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -3.620 10.380 -6.636 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -4.242 10.265 -4.238 1.00 0.00 H new ATOM 147 N GLU A 9 -1.332 2.236 -8.967 1.00 0.00 N ATOM 148 CA GLU A 9 -0.369 1.120 -8.756 1.00 0.00 C ATOM 149 C GLU A 9 1.061 1.644 -8.910 1.00 0.00 C ATOM 150 O GLU A 9 1.451 2.110 -9.962 1.00 0.00 O ATOM 151 CB GLU A 9 -0.623 0.024 -9.792 1.00 0.00 C ATOM 152 CG GLU A 9 0.317 -1.155 -9.529 1.00 0.00 C ATOM 153 CD GLU A 9 0.003 -2.285 -10.512 1.00 0.00 C ATOM 154 OE1 GLU A 9 -1.050 -2.237 -11.125 1.00 0.00 O ATOM 155 OE2 GLU A 9 0.822 -3.181 -10.632 1.00 0.00 O ATOM 0 H GLU A 9 -1.447 2.533 -9.936 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.501 0.711 -7.754 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.661 -0.306 -9.741 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.462 0.414 -10.797 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.354 -0.839 -9.640 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.199 -1.507 -8.504 1.00 0.00 H new ATOM 162 N CYS A 10 1.844 1.572 -7.868 1.00 0.00 N ATOM 163 CA CYS A 10 3.241 2.087 -7.950 1.00 0.00 C ATOM 164 C CYS A 10 4.181 0.947 -8.352 1.00 0.00 C ATOM 165 O CYS A 10 4.070 -0.159 -7.863 1.00 0.00 O ATOM 166 CB CYS A 10 3.660 2.638 -6.586 1.00 0.00 C ATOM 167 SG CYS A 10 3.343 1.395 -5.309 1.00 0.00 S ATOM 0 H CYS A 10 1.578 1.180 -6.965 1.00 0.00 H new ATOM 0 HA CYS A 10 3.294 2.881 -8.695 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.718 2.901 -6.598 1.00 0.00 H new ATOM 0 HB3 CYS A 10 3.107 3.551 -6.365 1.00 0.00 H new ATOM 0 HG CYS A 10 3.851 1.793 -4.180 1.00 0.00 H new ATOM 173 N PRO A 11 5.098 1.226 -9.236 1.00 0.00 N ATOM 174 CA PRO A 11 6.086 0.220 -9.719 1.00 0.00 C ATOM 175 C PRO A 11 7.106 -0.157 -8.639 1.00 0.00 C ATOM 176 O PRO A 11 7.788 -1.157 -8.737 1.00 0.00 O ATOM 177 CB PRO A 11 6.780 0.922 -10.887 1.00 0.00 C ATOM 178 CG PRO A 11 6.612 2.384 -10.629 1.00 0.00 C ATOM 179 CD PRO A 11 5.293 2.537 -9.873 1.00 0.00 C ATOM 0 HA PRO A 11 5.604 -0.717 -9.999 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.835 0.651 -10.938 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.332 0.637 -11.839 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.444 2.773 -10.042 1.00 0.00 H new ATOM 0 HG3 PRO A 11 6.592 2.944 -11.564 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.346 3.337 -9.134 1.00 0.00 H new ATOM 0 HD3 PRO A 11 4.472 2.780 -10.547 1.00 0.00 H new ATOM 187 N ALA A 12 7.213 0.639 -7.609 1.00 0.00 N ATOM 188 CA ALA A 12 8.186 0.324 -6.524 1.00 0.00 C ATOM 189 C ALA A 12 7.839 -1.032 -5.905 1.00 0.00 C ATOM 190 O ALA A 12 8.703 -1.759 -5.458 1.00 0.00 O ATOM 191 CB ALA A 12 8.117 1.408 -5.448 1.00 0.00 C ATOM 0 H ALA A 12 6.670 1.492 -7.472 1.00 0.00 H new ATOM 0 HA ALA A 12 9.193 0.287 -6.939 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.828 1.179 -4.654 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.364 2.374 -5.888 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.110 1.445 -5.033 1.00 0.00 H new ATOM 197 N LEU A 13 6.580 -1.376 -5.876 1.00 0.00 N ATOM 198 CA LEU A 13 6.180 -2.687 -5.289 1.00 0.00 C ATOM 199 C LEU A 13 6.053 -3.727 -6.403 1.00 0.00 C ATOM 200 O LEU A 13 5.809 -3.398 -7.547 1.00 0.00 O ATOM 201 CB LEU A 13 4.834 -2.538 -4.576 1.00 0.00 C ATOM 202 CG LEU A 13 5.041 -1.821 -3.240 1.00 0.00 C ATOM 203 CD1 LEU A 13 5.857 -2.713 -2.302 1.00 0.00 C ATOM 204 CD2 LEU A 13 5.794 -0.510 -3.476 1.00 0.00 C ATOM 0 H LEU A 13 5.812 -0.807 -6.233 1.00 0.00 H new ATOM 0 HA LEU A 13 6.937 -3.010 -4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.140 -1.974 -5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.388 -3.519 -4.409 1.00 0.00 H new ATOM 0 HG LEU A 13 4.072 -1.609 -2.789 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.004 -2.202 -1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.323 -3.648 -2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.826 -2.925 -2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.942 0.001 -2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.763 -0.723 -3.928 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.215 0.127 -4.144 1.00 0.00 H new ATOM 216 N PRO A 14 6.220 -4.977 -6.065 1.00 0.00 N ATOM 217 CA PRO A 14 6.119 -6.099 -7.043 1.00 0.00 C ATOM 218 C PRO A 14 4.780 -6.099 -7.786 1.00 0.00 C ATOM 219 O PRO A 14 3.751 -5.771 -7.231 1.00 0.00 O ATOM 220 CB PRO A 14 6.248 -7.352 -6.175 1.00 0.00 C ATOM 221 CG PRO A 14 6.936 -6.904 -4.928 1.00 0.00 C ATOM 222 CD PRO A 14 6.523 -5.456 -4.708 1.00 0.00 C ATOM 0 HA PRO A 14 6.880 -6.028 -7.820 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.270 -7.778 -5.952 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.823 -8.125 -6.685 1.00 0.00 H new ATOM 0 HG2 PRO A 14 6.646 -7.524 -4.080 1.00 0.00 H new ATOM 0 HG3 PRO A 14 8.018 -6.988 -5.029 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.655 -5.381 -4.053 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.322 -4.876 -4.246 1.00 0.00 H new ATOM 230 N GLN A 15 4.787 -6.465 -9.038 1.00 0.00 N ATOM 231 CA GLN A 15 3.514 -6.489 -9.815 1.00 0.00 C ATOM 232 C GLN A 15 2.444 -7.236 -9.018 1.00 0.00 C ATOM 233 O GLN A 15 2.658 -8.339 -8.553 1.00 0.00 O ATOM 234 CB GLN A 15 3.745 -7.198 -11.150 1.00 0.00 C ATOM 235 CG GLN A 15 4.626 -8.429 -10.929 1.00 0.00 C ATOM 236 CD GLN A 15 4.752 -9.210 -12.238 1.00 0.00 C ATOM 237 OE1 GLN A 15 3.822 -9.263 -13.019 1.00 0.00 O ATOM 238 NE2 GLN A 15 5.870 -9.826 -12.512 1.00 0.00 N ATOM 0 H GLN A 15 5.618 -6.748 -9.557 1.00 0.00 H new ATOM 0 HA GLN A 15 3.181 -5.468 -10.000 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.791 -7.494 -11.586 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.222 -6.519 -11.857 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.612 -8.125 -10.579 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.194 -9.064 -10.155 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.651 -9.782 -11.857 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.963 -10.352 -13.381 1.00 0.00 H new ATOM 247 N GLY A 16 1.291 -6.646 -8.856 1.00 0.00 N ATOM 248 CA GLY A 16 0.210 -7.323 -8.084 1.00 0.00 C ATOM 249 C GLY A 16 -0.143 -6.486 -6.854 1.00 0.00 C ATOM 250 O GLY A 16 -1.202 -6.626 -6.278 1.00 0.00 O ATOM 0 H GLY A 16 1.051 -5.726 -9.224 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.671 -7.455 -8.712 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.535 -8.317 -7.779 1.00 0.00 H new ATOM 254 N TRP A 17 0.739 -5.613 -6.447 1.00 0.00 N ATOM 255 CA TRP A 17 0.453 -4.769 -5.252 1.00 0.00 C ATOM 256 C TRP A 17 -0.351 -3.538 -5.678 1.00 0.00 C ATOM 257 O TRP A 17 -0.148 -2.990 -6.743 1.00 0.00 O ATOM 258 CB TRP A 17 1.770 -4.322 -4.616 1.00 0.00 C ATOM 259 CG TRP A 17 2.390 -5.475 -3.893 1.00 0.00 C ATOM 260 CD1 TRP A 17 2.749 -6.648 -4.464 1.00 0.00 C ATOM 261 CD2 TRP A 17 2.728 -5.588 -2.481 1.00 0.00 C ATOM 262 NE1 TRP A 17 3.286 -7.473 -3.492 1.00 0.00 N ATOM 263 CE2 TRP A 17 3.294 -6.864 -2.253 1.00 0.00 C ATOM 264 CE3 TRP A 17 2.599 -4.715 -1.386 1.00 0.00 C ATOM 265 CZ2 TRP A 17 3.717 -7.260 -0.984 1.00 0.00 C ATOM 266 CZ3 TRP A 17 3.023 -5.110 -0.106 1.00 0.00 C ATOM 267 CH2 TRP A 17 3.582 -6.380 0.094 1.00 0.00 C ATOM 0 H TRP A 17 1.643 -5.448 -6.889 1.00 0.00 H new ATOM 0 HA TRP A 17 -0.122 -5.347 -4.528 1.00 0.00 H new ATOM 0 HB2 TRP A 17 2.450 -3.952 -5.383 1.00 0.00 H new ATOM 0 HB3 TRP A 17 1.591 -3.499 -3.924 1.00 0.00 H new ATOM 0 HD1 TRP A 17 2.635 -6.899 -5.508 1.00 0.00 H new ATOM 0 HE1 TRP A 17 3.633 -8.416 -3.669 1.00 0.00 H new ATOM 0 HE3 TRP A 17 2.171 -3.734 -1.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.146 -8.240 -0.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.918 -4.432 0.728 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.908 -6.678 1.080 1.00 0.00 H new ATOM 278 N GLU A 18 -1.261 -3.099 -4.854 1.00 0.00 N ATOM 279 CA GLU A 18 -2.076 -1.903 -5.213 1.00 0.00 C ATOM 280 C GLU A 18 -2.365 -1.086 -3.953 1.00 0.00 C ATOM 281 O GLU A 18 -2.335 -1.595 -2.850 1.00 0.00 O ATOM 282 CB GLU A 18 -3.396 -2.355 -5.841 1.00 0.00 C ATOM 283 CG GLU A 18 -3.119 -3.005 -7.198 1.00 0.00 C ATOM 284 CD GLU A 18 -4.439 -3.464 -7.823 1.00 0.00 C ATOM 285 OE1 GLU A 18 -5.469 -3.255 -7.204 1.00 0.00 O ATOM 286 OE2 GLU A 18 -4.397 -4.016 -8.910 1.00 0.00 O ATOM 0 H GLU A 18 -1.476 -3.516 -3.948 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.526 -1.289 -5.926 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.901 -3.063 -5.183 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.064 -1.502 -5.964 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.619 -2.296 -7.858 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.447 -3.855 -7.076 1.00 0.00 H new ATOM 293 N ARG A 19 -2.648 0.179 -4.106 1.00 0.00 N ATOM 294 CA ARG A 19 -2.950 1.026 -2.917 1.00 0.00 C ATOM 295 C ARG A 19 -3.972 2.097 -3.303 1.00 0.00 C ATOM 296 O ARG A 19 -4.056 2.507 -4.443 1.00 0.00 O ATOM 297 CB ARG A 19 -1.665 1.698 -2.430 1.00 0.00 C ATOM 298 CG ARG A 19 -1.257 2.796 -3.413 1.00 0.00 C ATOM 299 CD ARG A 19 0.143 3.303 -3.061 1.00 0.00 C ATOM 300 NE ARG A 19 0.509 4.423 -3.974 1.00 0.00 N ATOM 301 CZ ARG A 19 0.828 4.177 -5.215 1.00 0.00 C ATOM 302 NH1 ARG A 19 0.823 2.948 -5.658 1.00 0.00 N ATOM 303 NH2 ARG A 19 1.150 5.156 -6.013 1.00 0.00 N ATOM 0 H ARG A 19 -2.683 0.663 -5.003 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.358 0.404 -2.120 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.818 2.122 -1.438 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.868 0.960 -2.342 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.270 2.409 -4.432 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.973 3.617 -3.375 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.169 3.641 -2.025 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.868 2.494 -3.151 1.00 0.00 H new ATOM 0 HE ARG A 19 0.510 5.383 -3.628 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.570 2.182 -5.034 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.072 2.755 -6.628 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.153 6.116 -5.667 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.399 4.962 -6.983 1.00 0.00 H new ATOM 317 N GLU A 20 -4.750 2.553 -2.360 1.00 0.00 N ATOM 318 CA GLU A 20 -5.774 3.590 -2.677 1.00 0.00 C ATOM 319 C GLU A 20 -6.022 4.458 -1.442 1.00 0.00 C ATOM 320 O GLU A 20 -5.881 4.014 -0.320 1.00 0.00 O ATOM 321 CB GLU A 20 -7.079 2.906 -3.090 1.00 0.00 C ATOM 322 CG GLU A 20 -7.215 1.574 -2.352 1.00 0.00 C ATOM 323 CD GLU A 20 -7.148 1.817 -0.843 1.00 0.00 C ATOM 324 OE1 GLU A 20 -7.960 2.582 -0.350 1.00 0.00 O ATOM 325 OE2 GLU A 20 -6.286 1.234 -0.206 1.00 0.00 O ATOM 0 H GLU A 20 -4.722 2.253 -1.385 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.416 4.216 -3.494 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.928 3.550 -2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.089 2.739 -4.167 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.160 1.097 -2.613 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.420 0.894 -2.657 1.00 0.00 H new ATOM 332 N GLU A 21 -6.393 5.694 -1.640 1.00 0.00 N ATOM 333 CA GLU A 21 -6.668 6.586 -0.478 1.00 0.00 C ATOM 334 C GLU A 21 -8.173 6.599 -0.194 1.00 0.00 C ATOM 335 O GLU A 21 -8.984 6.509 -1.093 1.00 0.00 O ATOM 336 CB GLU A 21 -6.198 8.004 -0.801 1.00 0.00 C ATOM 337 CG GLU A 21 -6.482 8.920 0.390 1.00 0.00 C ATOM 338 CD GLU A 21 -5.979 10.332 0.081 1.00 0.00 C ATOM 339 OE1 GLU A 21 -5.613 10.572 -1.057 1.00 0.00 O ATOM 340 OE2 GLU A 21 -5.967 11.147 0.988 1.00 0.00 O ATOM 0 H GLU A 21 -6.517 6.124 -2.556 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.134 6.218 0.398 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.131 8.002 -1.026 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.710 8.375 -1.689 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.552 8.941 0.599 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.990 8.535 1.283 1.00 0.00 H new ATOM 347 N VAL A 22 -8.551 6.709 1.050 1.00 0.00 N ATOM 348 CA VAL A 22 -10.002 6.703 1.389 1.00 0.00 C ATOM 349 C VAL A 22 -10.257 7.652 2.561 1.00 0.00 C ATOM 350 O VAL A 22 -9.683 7.513 3.623 1.00 0.00 O ATOM 351 CB VAL A 22 -10.428 5.287 1.780 1.00 0.00 C ATOM 352 CG1 VAL A 22 -11.948 5.162 1.665 1.00 0.00 C ATOM 353 CG2 VAL A 22 -9.764 4.279 0.841 1.00 0.00 C ATOM 0 H VAL A 22 -7.919 6.803 1.845 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.578 7.031 0.524 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.123 5.086 2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.252 4.153 1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.424 5.881 2.332 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.253 5.362 0.638 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.067 3.269 1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.071 4.481 -0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.680 4.368 0.920 1.00 0.00 H new ATOM 363 N PRO A 23 -11.120 8.612 2.364 1.00 0.00 N ATOM 364 CA PRO A 23 -11.479 9.605 3.417 1.00 0.00 C ATOM 365 C PRO A 23 -12.411 9.013 4.477 1.00 0.00 C ATOM 366 O PRO A 23 -13.351 8.310 4.168 1.00 0.00 O ATOM 367 CB PRO A 23 -12.189 10.714 2.640 1.00 0.00 C ATOM 368 CG PRO A 23 -12.772 10.044 1.438 1.00 0.00 C ATOM 369 CD PRO A 23 -11.850 8.854 1.112 1.00 0.00 C ATOM 0 HA PRO A 23 -10.603 9.950 3.966 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.966 11.182 3.245 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.492 11.501 2.352 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -13.788 9.704 1.638 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.826 10.735 0.597 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.423 7.978 0.809 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.170 9.089 0.293 1.00 0.00 H new ATOM 377 N ARG A 24 -12.156 9.290 5.728 1.00 0.00 N ATOM 378 CA ARG A 24 -13.023 8.737 6.804 1.00 0.00 C ATOM 379 C ARG A 24 -14.434 9.315 6.672 1.00 0.00 C ATOM 380 O ARG A 24 -14.619 10.433 6.236 1.00 0.00 O ATOM 381 CB ARG A 24 -12.444 9.112 8.170 1.00 0.00 C ATOM 382 CG ARG A 24 -11.150 8.329 8.408 1.00 0.00 C ATOM 383 CD ARG A 24 -10.573 8.701 9.776 1.00 0.00 C ATOM 384 NE ARG A 24 -9.290 7.972 9.987 1.00 0.00 N ATOM 385 CZ ARG A 24 -9.303 6.736 10.407 1.00 0.00 C ATOM 386 NH1 ARG A 24 -10.440 6.138 10.640 1.00 0.00 N ATOM 387 NH2 ARG A 24 -8.180 6.099 10.593 1.00 0.00 N ATOM 0 H ARG A 24 -11.385 9.875 6.049 1.00 0.00 H new ATOM 0 HA ARG A 24 -13.066 7.652 6.713 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -12.246 10.183 8.212 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.166 8.890 8.956 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.347 7.258 8.364 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.427 8.553 7.623 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.406 9.777 9.832 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.282 8.447 10.564 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.402 8.439 9.803 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.318 6.637 10.494 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.450 5.172 10.968 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.292 6.567 10.410 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.190 5.133 10.921 1.00 0.00 H new ATOM 490 N HIS A 32 -9.984 13.245 8.715 1.00 0.00 N ATOM 491 CA HIS A 32 -8.643 12.872 8.185 1.00 0.00 C ATOM 492 C HIS A 32 -8.802 11.801 7.104 1.00 0.00 C ATOM 493 O HIS A 32 -9.862 11.230 6.935 1.00 0.00 O ATOM 494 CB HIS A 32 -7.779 12.324 9.322 1.00 0.00 C ATOM 495 CG HIS A 32 -7.571 13.395 10.356 1.00 0.00 C ATOM 496 ND1 HIS A 32 -7.858 13.192 11.699 1.00 0.00 N ATOM 497 CD2 HIS A 32 -7.107 14.685 10.262 1.00 0.00 C ATOM 498 CE1 HIS A 32 -7.565 14.334 12.352 1.00 0.00 C ATOM 499 NE2 HIS A 32 -7.105 15.271 11.522 1.00 0.00 N ATOM 0 HA HIS A 32 -8.164 13.753 7.757 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -8.261 11.457 9.773 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -6.818 11.988 8.933 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.792 15.169 9.349 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -7.688 14.473 13.416 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -6.813 16.219 11.762 1.00 0.00 H new ATOM 508 N ARG A 33 -7.760 11.524 6.370 1.00 0.00 N ATOM 509 CA ARG A 33 -7.854 10.493 5.299 1.00 0.00 C ATOM 510 C ARG A 33 -6.844 9.377 5.578 1.00 0.00 C ATOM 511 O ARG A 33 -5.726 9.625 5.983 1.00 0.00 O ATOM 512 CB ARG A 33 -7.546 11.133 3.945 1.00 0.00 C ATOM 513 CG ARG A 33 -6.402 12.137 4.101 1.00 0.00 C ATOM 514 CD ARG A 33 -6.976 13.539 4.307 1.00 0.00 C ATOM 515 NE ARG A 33 -7.728 13.952 3.089 1.00 0.00 N ATOM 516 CZ ARG A 33 -8.302 15.124 3.043 1.00 0.00 C ATOM 517 NH1 ARG A 33 -8.219 15.932 4.063 1.00 0.00 N ATOM 518 NH2 ARG A 33 -8.958 15.486 1.974 1.00 0.00 N ATOM 0 H ARG A 33 -6.847 11.968 6.466 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.861 10.077 5.282 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.273 10.365 3.222 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.433 11.634 3.558 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.775 11.861 4.949 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.766 12.120 3.216 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.635 13.550 5.175 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.172 14.247 4.508 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.794 13.320 2.291 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.705 15.649 4.898 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.668 16.847 4.026 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.022 14.854 1.176 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.407 16.401 1.937 1.00 0.00 H new ATOM 532 N ASP A 34 -7.229 8.149 5.361 1.00 0.00 N ATOM 533 CA ASP A 34 -6.293 7.018 5.620 1.00 0.00 C ATOM 534 C ASP A 34 -6.050 6.250 4.320 1.00 0.00 C ATOM 535 O ASP A 34 -6.947 6.064 3.521 1.00 0.00 O ATOM 536 CB ASP A 34 -6.903 6.080 6.662 1.00 0.00 C ATOM 537 CG ASP A 34 -5.912 4.960 6.984 1.00 0.00 C ATOM 538 OD1 ASP A 34 -4.910 4.865 6.295 1.00 0.00 O ATOM 539 OD2 ASP A 34 -6.172 4.217 7.916 1.00 0.00 O ATOM 0 H ASP A 34 -8.150 7.880 5.016 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.346 7.408 5.993 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.147 6.635 7.568 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.835 5.658 6.286 1.00 0.00 H new ATOM 544 N VAL A 35 -4.845 5.799 4.102 1.00 0.00 N ATOM 545 CA VAL A 35 -4.546 5.044 2.853 1.00 0.00 C ATOM 546 C VAL A 35 -4.282 3.577 3.197 1.00 0.00 C ATOM 547 O VAL A 35 -3.657 3.266 4.192 1.00 0.00 O ATOM 548 CB VAL A 35 -3.311 5.641 2.179 1.00 0.00 C ATOM 549 CG1 VAL A 35 -3.003 4.866 0.896 1.00 0.00 C ATOM 550 CG2 VAL A 35 -3.579 7.108 1.835 1.00 0.00 C ATOM 0 H VAL A 35 -4.055 5.921 4.735 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.396 5.111 2.174 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.460 5.574 2.856 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.122 5.292 0.416 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.813 3.820 1.139 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.854 4.932 0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.699 7.536 1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.430 7.173 1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.799 7.662 2.748 1.00 0.00 H new ATOM 560 N PHE A 36 -4.753 2.672 2.383 1.00 0.00 N ATOM 561 CA PHE A 36 -4.537 1.227 2.671 1.00 0.00 C ATOM 562 C PHE A 36 -3.813 0.574 1.492 1.00 0.00 C ATOM 563 O PHE A 36 -3.960 0.982 0.358 1.00 0.00 O ATOM 564 CB PHE A 36 -5.890 0.543 2.883 1.00 0.00 C ATOM 565 CG PHE A 36 -6.657 1.266 3.962 1.00 0.00 C ATOM 566 CD1 PHE A 36 -6.508 0.883 5.301 1.00 0.00 C ATOM 567 CD2 PHE A 36 -7.517 2.317 3.626 1.00 0.00 C ATOM 568 CE1 PHE A 36 -7.219 1.554 6.304 1.00 0.00 C ATOM 569 CE2 PHE A 36 -8.228 2.988 4.629 1.00 0.00 C ATOM 570 CZ PHE A 36 -8.079 2.606 5.967 1.00 0.00 C ATOM 0 H PHE A 36 -5.278 2.871 1.531 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.931 1.122 3.571 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.460 0.545 1.954 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.742 -0.500 3.164 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.845 0.071 5.560 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.633 2.611 2.593 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.104 1.260 7.337 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -8.891 3.800 4.370 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.628 3.123 6.740 1.00 0.00 H new ATOM 580 N TYR A 37 -3.032 -0.438 1.752 1.00 0.00 N ATOM 581 CA TYR A 37 -2.297 -1.115 0.646 1.00 0.00 C ATOM 582 C TYR A 37 -2.776 -2.563 0.529 1.00 0.00 C ATOM 583 O TYR A 37 -3.093 -3.204 1.510 1.00 0.00 O ATOM 584 CB TYR A 37 -0.796 -1.094 0.943 1.00 0.00 C ATOM 585 CG TYR A 37 -0.281 0.320 0.830 1.00 0.00 C ATOM 586 CD1 TYR A 37 -0.664 1.282 1.772 1.00 0.00 C ATOM 587 CD2 TYR A 37 0.582 0.669 -0.215 1.00 0.00 C ATOM 588 CE1 TYR A 37 -0.185 2.594 1.667 1.00 0.00 C ATOM 589 CE2 TYR A 37 1.061 1.980 -0.321 1.00 0.00 C ATOM 590 CZ TYR A 37 0.677 2.942 0.621 1.00 0.00 C ATOM 591 OH TYR A 37 1.148 4.236 0.517 1.00 0.00 O ATOM 0 H TYR A 37 -2.871 -0.825 2.682 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.487 -0.593 -0.292 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.607 -1.482 1.944 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.267 -1.742 0.244 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.329 1.013 2.580 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.879 -0.074 -0.940 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.481 3.337 2.393 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.726 2.249 -1.128 1.00 0.00 H new ATOM 0 HH TYR A 37 1.090 4.676 1.391 1.00 0.00 H new ATOM 601 N TYR A 38 -2.830 -3.085 -0.667 1.00 0.00 N ATOM 602 CA TYR A 38 -3.302 -4.487 -0.847 1.00 0.00 C ATOM 603 C TYR A 38 -2.197 -5.316 -1.506 1.00 0.00 C ATOM 604 O TYR A 38 -1.575 -4.891 -2.461 1.00 0.00 O ATOM 605 CB TYR A 38 -4.547 -4.495 -1.737 1.00 0.00 C ATOM 606 CG TYR A 38 -5.658 -3.736 -1.053 1.00 0.00 C ATOM 607 CD1 TYR A 38 -6.395 -4.345 -0.029 1.00 0.00 C ATOM 608 CD2 TYR A 38 -5.953 -2.423 -1.441 1.00 0.00 C ATOM 609 CE1 TYR A 38 -7.426 -3.642 0.605 1.00 0.00 C ATOM 610 CE2 TYR A 38 -6.985 -1.721 -0.806 1.00 0.00 C ATOM 611 CZ TYR A 38 -7.720 -2.329 0.216 1.00 0.00 C ATOM 612 OH TYR A 38 -8.737 -1.637 0.842 1.00 0.00 O ATOM 0 H TYR A 38 -2.568 -2.601 -1.526 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.547 -4.916 0.124 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.321 -4.040 -2.701 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.860 -5.520 -1.934 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.168 -5.357 0.271 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.385 -1.952 -2.230 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.995 -4.112 1.394 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.213 -0.709 -1.106 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.809 -0.740 0.454 1.00 0.00 H new ATOM 622 N SER A 39 -1.949 -6.495 -1.006 1.00 0.00 N ATOM 623 CA SER A 39 -0.896 -7.356 -1.616 1.00 0.00 C ATOM 624 C SER A 39 -1.550 -8.360 -2.567 1.00 0.00 C ATOM 625 O SER A 39 -2.752 -8.373 -2.743 1.00 0.00 O ATOM 626 CB SER A 39 -0.153 -8.109 -0.512 1.00 0.00 C ATOM 627 OG SER A 39 -0.495 -7.551 0.750 1.00 0.00 O ATOM 0 H SER A 39 -2.429 -6.900 -0.202 1.00 0.00 H new ATOM 0 HA SER A 39 -0.192 -6.735 -2.170 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.415 -9.167 -0.538 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.923 -8.043 -0.672 1.00 0.00 H new ATOM 0 HG SER A 39 -0.074 -6.671 0.844 1.00 0.00 H new ATOM 633 N PRO A 40 -0.754 -9.197 -3.177 1.00 0.00 N ATOM 634 CA PRO A 40 -1.245 -10.225 -4.137 1.00 0.00 C ATOM 635 C PRO A 40 -2.292 -11.151 -3.507 1.00 0.00 C ATOM 636 O PRO A 40 -3.158 -11.673 -4.181 1.00 0.00 O ATOM 637 CB PRO A 40 0.013 -11.015 -4.503 1.00 0.00 C ATOM 638 CG PRO A 40 1.157 -10.103 -4.202 1.00 0.00 C ATOM 639 CD PRO A 40 0.707 -9.247 -3.018 1.00 0.00 C ATOM 0 HA PRO A 40 -1.739 -9.772 -4.997 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.081 -11.935 -3.923 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.005 -11.301 -5.555 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.055 -10.670 -3.956 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.399 -9.482 -5.064 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.994 -9.694 -2.066 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.150 -8.252 -3.049 1.00 0.00 H new ATOM 647 N SER A 41 -2.218 -11.358 -2.222 1.00 0.00 N ATOM 648 CA SER A 41 -3.210 -12.246 -1.552 1.00 0.00 C ATOM 649 C SER A 41 -4.393 -11.410 -1.058 1.00 0.00 C ATOM 650 O SER A 41 -5.307 -11.917 -0.438 1.00 0.00 O ATOM 651 CB SER A 41 -2.548 -12.942 -0.363 1.00 0.00 C ATOM 652 OG SER A 41 -2.190 -11.972 0.612 1.00 0.00 O ATOM 0 H SER A 41 -1.514 -10.951 -1.606 1.00 0.00 H new ATOM 0 HA SER A 41 -3.565 -12.994 -2.261 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.230 -13.674 0.070 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.663 -13.486 -0.693 1.00 0.00 H new ATOM 0 HG SER A 41 -1.767 -12.417 1.376 1.00 0.00 H new ATOM 658 N GLY A 42 -4.382 -10.132 -1.327 1.00 0.00 N ATOM 659 CA GLY A 42 -5.507 -9.267 -0.874 1.00 0.00 C ATOM 660 C GLY A 42 -5.276 -8.848 0.580 1.00 0.00 C ATOM 661 O GLY A 42 -6.171 -8.367 1.247 1.00 0.00 O ATOM 0 H GLY A 42 -3.643 -9.651 -1.840 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.581 -8.385 -1.510 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.451 -9.804 -0.963 1.00 0.00 H new ATOM 665 N LYS A 43 -4.082 -9.025 1.075 1.00 0.00 N ATOM 666 CA LYS A 43 -3.796 -8.639 2.486 1.00 0.00 C ATOM 667 C LYS A 43 -3.788 -7.114 2.604 1.00 0.00 C ATOM 668 O LYS A 43 -3.059 -6.431 1.912 1.00 0.00 O ATOM 669 CB LYS A 43 -2.428 -9.189 2.897 1.00 0.00 C ATOM 670 CG LYS A 43 -2.034 -8.610 4.258 1.00 0.00 C ATOM 671 CD LYS A 43 -0.659 -9.147 4.662 1.00 0.00 C ATOM 672 CE LYS A 43 -0.204 -8.463 5.953 1.00 0.00 C ATOM 673 NZ LYS A 43 1.120 -9.013 6.363 1.00 0.00 N ATOM 0 H LYS A 43 -3.292 -9.420 0.564 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.565 -9.051 3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.462 -10.277 2.949 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.680 -8.929 2.149 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.011 -7.521 4.209 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.777 -8.880 5.009 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.706 -10.226 4.807 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.063 -8.963 3.866 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.132 -7.386 5.801 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.938 -8.625 6.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.432 -8.550 7.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.036 -10.037 6.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.817 -8.836 5.612 1.00 0.00 H new ATOM 687 N LYS A 44 -4.595 -6.573 3.476 1.00 0.00 N ATOM 688 CA LYS A 44 -4.620 -5.092 3.650 1.00 0.00 C ATOM 689 C LYS A 44 -3.703 -4.699 4.810 1.00 0.00 C ATOM 690 O LYS A 44 -3.787 -5.245 5.893 1.00 0.00 O ATOM 691 CB LYS A 44 -6.050 -4.639 3.954 1.00 0.00 C ATOM 692 CG LYS A 44 -6.433 -5.074 5.369 1.00 0.00 C ATOM 693 CD LYS A 44 -7.920 -4.804 5.602 1.00 0.00 C ATOM 694 CE LYS A 44 -8.316 -5.283 7.000 1.00 0.00 C ATOM 695 NZ LYS A 44 -7.937 -4.250 8.005 1.00 0.00 N ATOM 0 H LYS A 44 -5.237 -7.092 4.075 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.273 -4.612 2.735 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.127 -3.556 3.862 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.741 -5.070 3.230 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.220 -6.134 5.505 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.835 -4.532 6.102 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.127 -3.739 5.499 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.516 -5.318 4.848 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.389 -5.470 7.042 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.819 -6.226 7.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.509 -4.376 8.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.929 -4.350 8.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.108 -3.303 7.611 1.00 0.00 H new ATOM 709 N PHE A 45 -2.828 -3.756 4.592 1.00 0.00 N ATOM 710 CA PHE A 45 -1.904 -3.332 5.683 1.00 0.00 C ATOM 711 C PHE A 45 -1.734 -1.812 5.644 1.00 0.00 C ATOM 712 O PHE A 45 -1.779 -1.200 4.595 1.00 0.00 O ATOM 713 CB PHE A 45 -0.542 -4.001 5.486 1.00 0.00 C ATOM 714 CG PHE A 45 -0.191 -4.009 4.017 1.00 0.00 C ATOM 715 CD1 PHE A 45 -0.918 -4.808 3.127 1.00 0.00 C ATOM 716 CD2 PHE A 45 0.862 -3.215 3.546 1.00 0.00 C ATOM 717 CE1 PHE A 45 -0.592 -4.814 1.766 1.00 0.00 C ATOM 718 CE2 PHE A 45 1.188 -3.222 2.184 1.00 0.00 C ATOM 719 CZ PHE A 45 0.460 -4.020 1.294 1.00 0.00 C ATOM 0 H PHE A 45 -2.713 -3.261 3.708 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.319 -3.628 6.647 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.222 -3.467 6.050 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.567 -5.021 5.870 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.730 -5.420 3.490 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.422 -2.598 4.233 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.152 -5.431 1.080 1.00 0.00 H new ATOM 0 HE2 PHE A 45 2.001 -2.612 1.820 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.710 -4.023 0.243 1.00 0.00 H new ATOM 729 N ARG A 46 -1.541 -1.198 6.779 1.00 0.00 N ATOM 730 CA ARG A 46 -1.361 0.282 6.804 1.00 0.00 C ATOM 731 C ARG A 46 -0.175 0.636 7.702 1.00 0.00 C ATOM 732 O ARG A 46 -0.305 1.379 8.655 1.00 0.00 O ATOM 733 CB ARG A 46 -2.630 0.939 7.352 1.00 0.00 C ATOM 734 CG ARG A 46 -2.957 0.353 8.727 1.00 0.00 C ATOM 735 CD ARG A 46 -4.431 0.606 9.052 1.00 0.00 C ATOM 736 NE ARG A 46 -5.286 -0.208 8.145 1.00 0.00 N ATOM 737 CZ ARG A 46 -5.513 -1.465 8.414 1.00 0.00 C ATOM 738 NH1 ARG A 46 -4.990 -2.007 9.479 1.00 0.00 N ATOM 739 NH2 ARG A 46 -6.263 -2.179 7.619 1.00 0.00 N ATOM 0 H ARG A 46 -1.500 -1.656 7.689 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.171 0.643 5.793 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.490 2.017 7.429 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.462 0.774 6.668 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.750 -0.717 8.737 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.323 0.807 9.488 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.635 0.347 10.091 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.664 1.665 8.936 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.695 0.217 7.313 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.405 -1.449 10.100 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.167 -2.989 9.691 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.672 -1.755 6.787 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.440 -3.161 7.830 1.00 0.00 H new ATOM 753 N SER A 47 0.982 0.111 7.407 1.00 0.00 N ATOM 754 CA SER A 47 2.174 0.414 8.247 1.00 0.00 C ATOM 755 C SER A 47 3.438 0.340 7.387 1.00 0.00 C ATOM 756 O SER A 47 3.636 -0.595 6.640 1.00 0.00 O ATOM 757 CB SER A 47 2.271 -0.607 9.382 1.00 0.00 C ATOM 758 OG SER A 47 0.964 -1.014 9.759 1.00 0.00 O ATOM 0 H SER A 47 1.153 -0.515 6.620 1.00 0.00 H new ATOM 0 HA SER A 47 2.077 1.416 8.665 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.855 -1.470 9.062 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.789 -0.171 10.236 1.00 0.00 H new ATOM 0 HG SER A 47 1.022 -1.670 10.485 1.00 0.00 H new ATOM 764 N LYS A 48 4.291 1.322 7.485 1.00 0.00 N ATOM 765 CA LYS A 48 5.538 1.310 6.668 1.00 0.00 C ATOM 766 C LYS A 48 6.487 0.238 7.202 1.00 0.00 C ATOM 767 O LYS A 48 7.147 -0.452 6.449 1.00 0.00 O ATOM 768 CB LYS A 48 6.215 2.681 6.751 1.00 0.00 C ATOM 769 CG LYS A 48 6.949 2.967 5.441 1.00 0.00 C ATOM 770 CD LYS A 48 8.083 1.956 5.258 1.00 0.00 C ATOM 771 CE LYS A 48 9.159 2.553 4.350 1.00 0.00 C ATOM 772 NZ LYS A 48 8.596 2.771 2.988 1.00 0.00 N ATOM 0 H LYS A 48 4.179 2.132 8.095 1.00 0.00 H new ATOM 0 HA LYS A 48 5.291 1.090 5.630 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.471 3.455 6.940 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.916 2.702 7.585 1.00 0.00 H new ATOM 0 HG2 LYS A 48 6.255 2.906 4.603 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.350 3.981 5.450 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.512 1.696 6.226 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.696 1.034 4.823 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.516 3.497 4.763 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.018 1.884 4.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.342 2.628 2.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.823 2.096 2.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.230 3.742 2.915 1.00 0.00 H new ATOM 786 N PRO A 49 6.556 0.104 8.499 1.00 0.00 N ATOM 787 CA PRO A 49 7.444 -0.892 9.164 1.00 0.00 C ATOM 788 C PRO A 49 7.152 -2.325 8.705 1.00 0.00 C ATOM 789 O PRO A 49 8.027 -3.031 8.247 1.00 0.00 O ATOM 790 CB PRO A 49 7.125 -0.731 10.651 1.00 0.00 C ATOM 791 CG PRO A 49 6.531 0.632 10.786 1.00 0.00 C ATOM 792 CD PRO A 49 5.788 0.893 9.475 1.00 0.00 C ATOM 0 HA PRO A 49 8.494 -0.722 8.925 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.428 -1.498 10.988 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.025 -0.829 11.258 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.852 0.680 11.637 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.305 1.381 10.953 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.749 0.569 9.528 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.779 1.953 9.220 1.00 0.00 H new ATOM 800 N GLN A 50 5.927 -2.758 8.828 1.00 0.00 N ATOM 801 CA GLN A 50 5.577 -4.138 8.388 1.00 0.00 C ATOM 802 C GLN A 50 5.651 -4.221 6.862 1.00 0.00 C ATOM 803 O GLN A 50 5.974 -5.249 6.302 1.00 0.00 O ATOM 804 CB GLN A 50 4.157 -4.476 8.849 1.00 0.00 C ATOM 805 CG GLN A 50 3.793 -5.889 8.388 1.00 0.00 C ATOM 806 CD GLN A 50 2.414 -6.265 8.933 1.00 0.00 C ATOM 807 OE1 GLN A 50 2.307 -7.009 9.886 1.00 0.00 O ATOM 808 NE2 GLN A 50 1.346 -5.778 8.363 1.00 0.00 N ATOM 0 H GLN A 50 5.154 -2.216 9.214 1.00 0.00 H new ATOM 0 HA GLN A 50 6.279 -4.848 8.825 1.00 0.00 H new ATOM 0 HB2 GLN A 50 4.090 -4.408 9.935 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.449 -3.755 8.440 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.791 -5.938 7.299 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.540 -6.601 8.738 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.435 -5.153 7.562 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.422 -6.023 8.718 1.00 0.00 H new ATOM 817 N LEU A 51 5.354 -3.145 6.185 1.00 0.00 N ATOM 818 CA LEU A 51 5.409 -3.163 4.697 1.00 0.00 C ATOM 819 C LEU A 51 6.861 -3.312 4.241 1.00 0.00 C ATOM 820 O LEU A 51 7.188 -4.171 3.447 1.00 0.00 O ATOM 821 CB LEU A 51 4.835 -1.854 4.149 1.00 0.00 C ATOM 822 CG LEU A 51 4.686 -1.958 2.631 1.00 0.00 C ATOM 823 CD1 LEU A 51 3.811 -0.809 2.124 1.00 0.00 C ATOM 824 CD2 LEU A 51 6.068 -1.870 1.978 1.00 0.00 C ATOM 0 H LEU A 51 5.076 -2.255 6.599 1.00 0.00 H new ATOM 0 HA LEU A 51 4.823 -4.002 4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.867 -1.649 4.607 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.491 -1.022 4.404 1.00 0.00 H new ATOM 0 HG LEU A 51 4.221 -2.910 2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.705 -0.883 1.042 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.827 -0.868 2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.277 0.143 2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.964 -1.944 0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.531 -0.917 2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.694 -2.686 2.339 1.00 0.00 H new ATOM 836 N ALA A 52 7.738 -2.481 4.737 1.00 0.00 N ATOM 837 CA ALA A 52 9.168 -2.578 4.333 1.00 0.00 C ATOM 838 C ALA A 52 9.748 -3.906 4.822 1.00 0.00 C ATOM 839 O ALA A 52 10.472 -4.576 4.114 1.00 0.00 O ATOM 840 CB ALA A 52 9.951 -1.418 4.953 1.00 0.00 C ATOM 0 H ALA A 52 7.525 -1.740 5.404 1.00 0.00 H new ATOM 0 HA ALA A 52 9.244 -2.529 3.247 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.998 -1.487 4.658 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.538 -0.472 4.603 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.876 -1.468 6.039 1.00 0.00 H new ATOM 846 N ARG A 53 9.438 -4.290 6.030 1.00 0.00 N ATOM 847 CA ARG A 53 9.980 -5.570 6.567 1.00 0.00 C ATOM 848 C ARG A 53 9.471 -6.737 5.718 1.00 0.00 C ATOM 849 O ARG A 53 10.183 -7.688 5.463 1.00 0.00 O ATOM 850 CB ARG A 53 9.519 -5.753 8.014 1.00 0.00 C ATOM 851 CG ARG A 53 10.151 -4.670 8.892 1.00 0.00 C ATOM 852 CD ARG A 53 11.561 -5.103 9.301 1.00 0.00 C ATOM 853 NE ARG A 53 12.125 -4.114 10.263 1.00 0.00 N ATOM 854 CZ ARG A 53 12.857 -3.126 9.828 1.00 0.00 C ATOM 855 NH1 ARG A 53 13.096 -3.002 8.551 1.00 0.00 N ATOM 856 NH2 ARG A 53 13.350 -2.260 10.670 1.00 0.00 N ATOM 0 H ARG A 53 8.833 -3.773 6.668 1.00 0.00 H new ATOM 0 HA ARG A 53 11.069 -5.545 6.533 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.432 -5.694 8.071 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.804 -6.741 8.375 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.192 -3.725 8.350 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.539 -4.502 9.778 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.531 -6.093 9.756 1.00 0.00 H new ATOM 0 HD3 ARG A 53 12.200 -5.176 8.421 1.00 0.00 H new ATOM 0 HE ARG A 53 11.939 -4.210 11.261 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.710 -3.678 7.892 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.669 -2.229 8.212 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.163 -2.356 11.668 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.923 -1.487 10.330 1.00 0.00 H new ATOM 870 N TYR A 54 8.244 -6.672 5.280 1.00 0.00 N ATOM 871 CA TYR A 54 7.687 -7.782 4.456 1.00 0.00 C ATOM 872 C TYR A 54 8.529 -7.948 3.189 1.00 0.00 C ATOM 873 O TYR A 54 8.976 -9.031 2.867 1.00 0.00 O ATOM 874 CB TYR A 54 6.242 -7.455 4.069 1.00 0.00 C ATOM 875 CG TYR A 54 5.558 -8.708 3.578 1.00 0.00 C ATOM 876 CD1 TYR A 54 5.183 -9.704 4.488 1.00 0.00 C ATOM 877 CD2 TYR A 54 5.298 -8.874 2.212 1.00 0.00 C ATOM 878 CE1 TYR A 54 4.548 -10.866 4.033 1.00 0.00 C ATOM 879 CE2 TYR A 54 4.663 -10.036 1.757 1.00 0.00 C ATOM 880 CZ TYR A 54 4.288 -11.031 2.666 1.00 0.00 C ATOM 881 OH TYR A 54 3.662 -12.176 2.219 1.00 0.00 O ATOM 0 H TYR A 54 7.603 -5.899 5.457 1.00 0.00 H new ATOM 0 HA TYR A 54 7.708 -8.708 5.031 1.00 0.00 H new ATOM 0 HB2 TYR A 54 5.707 -7.048 4.927 1.00 0.00 H new ATOM 0 HB3 TYR A 54 6.226 -6.691 3.292 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.384 -9.576 5.541 1.00 0.00 H new ATOM 0 HD2 TYR A 54 5.587 -8.106 1.510 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.259 -11.634 4.735 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.463 -10.164 0.704 1.00 0.00 H new ATOM 0 HH TYR A 54 3.556 -12.132 1.246 1.00 0.00 H new ATOM 891 N LEU A 55 8.749 -6.883 2.467 1.00 0.00 N ATOM 892 CA LEU A 55 9.567 -6.980 1.227 1.00 0.00 C ATOM 893 C LEU A 55 10.988 -6.493 1.513 1.00 0.00 C ATOM 894 O LEU A 55 11.811 -6.386 0.625 1.00 0.00 O ATOM 895 CB LEU A 55 8.941 -6.112 0.133 1.00 0.00 C ATOM 896 CG LEU A 55 7.490 -6.539 -0.091 1.00 0.00 C ATOM 897 CD1 LEU A 55 6.848 -5.636 -1.146 1.00 0.00 C ATOM 898 CD2 LEU A 55 7.457 -7.991 -0.578 1.00 0.00 C ATOM 0 H LEU A 55 8.397 -5.950 2.683 1.00 0.00 H new ATOM 0 HA LEU A 55 9.599 -8.017 0.894 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.982 -5.061 0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.507 -6.211 -0.793 1.00 0.00 H new ATOM 0 HG LEU A 55 6.938 -6.454 0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.814 -5.941 -1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.873 -4.602 -0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.400 -5.721 -2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.423 -8.298 -0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.009 -8.073 -1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.915 -8.637 0.171 1.00 0.00 H new ATOM 910 N GLY A 56 11.286 -6.197 2.749 1.00 0.00 N ATOM 911 CA GLY A 56 12.649 -5.700 3.089 1.00 0.00 C ATOM 912 C GLY A 56 13.699 -6.668 2.540 1.00 0.00 C ATOM 913 O GLY A 56 14.878 -6.376 2.521 1.00 0.00 O ATOM 0 H GLY A 56 10.644 -6.278 3.538 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.800 -4.706 2.668 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.754 -5.608 4.170 1.00 0.00 H new ATOM 917 N GLY A 57 13.281 -7.820 2.092 1.00 0.00 N ATOM 918 CA GLY A 57 14.254 -8.806 1.544 1.00 0.00 C ATOM 919 C GLY A 57 14.131 -8.854 0.020 1.00 0.00 C ATOM 920 O GLY A 57 15.110 -8.756 -0.694 1.00 0.00 O ATOM 0 H GLY A 57 12.306 -8.121 2.082 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.269 -8.528 1.829 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.064 -9.793 1.966 1.00 0.00 H new ATOM 924 N SER A 58 12.937 -9.001 -0.484 1.00 0.00 N ATOM 925 CA SER A 58 12.755 -9.065 -1.961 1.00 0.00 C ATOM 926 C SER A 58 13.182 -7.736 -2.587 1.00 0.00 C ATOM 927 O SER A 58 13.541 -7.671 -3.744 1.00 0.00 O ATOM 928 CB SER A 58 11.283 -9.329 -2.282 1.00 0.00 C ATOM 929 OG SER A 58 10.499 -8.235 -1.822 1.00 0.00 O ATOM 0 H SER A 58 12.080 -9.080 0.063 1.00 0.00 H new ATOM 0 HA SER A 58 13.367 -9.871 -2.367 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.151 -9.460 -3.356 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.955 -10.253 -1.805 1.00 0.00 H new ATOM 0 HG SER A 58 9.908 -7.931 -2.542 1.00 0.00 H new ATOM 935 N MET A 59 13.148 -6.674 -1.828 1.00 0.00 N ATOM 936 CA MET A 59 13.546 -5.350 -2.383 1.00 0.00 C ATOM 937 C MET A 59 13.663 -4.335 -1.243 1.00 0.00 C ATOM 938 O MET A 59 13.170 -4.551 -0.153 1.00 0.00 O ATOM 939 CB MET A 59 12.487 -4.876 -3.381 1.00 0.00 C ATOM 940 CG MET A 59 13.082 -4.864 -4.789 1.00 0.00 C ATOM 941 SD MET A 59 14.204 -3.454 -4.959 1.00 0.00 S ATOM 942 CE MET A 59 12.938 -2.191 -5.242 1.00 0.00 C ATOM 0 H MET A 59 12.862 -6.667 -0.849 1.00 0.00 H new ATOM 0 HA MET A 59 14.507 -5.441 -2.889 1.00 0.00 H new ATOM 0 HB2 MET A 59 11.619 -5.535 -3.347 1.00 0.00 H new ATOM 0 HB3 MET A 59 12.140 -3.878 -3.113 1.00 0.00 H new ATOM 0 HG2 MET A 59 13.619 -5.794 -4.976 1.00 0.00 H new ATOM 0 HG3 MET A 59 12.286 -4.800 -5.531 1.00 0.00 H new ATOM 0 HE1 MET A 59 13.035 -1.800 -6.255 1.00 0.00 H new ATOM 0 HE2 MET A 59 11.949 -2.632 -5.116 1.00 0.00 H new ATOM 0 HE3 MET A 59 13.067 -1.380 -4.526 1.00 0.00 H new ATOM 952 N ASP A 60 14.312 -3.228 -1.485 1.00 0.00 N ATOM 953 CA ASP A 60 14.453 -2.198 -0.419 1.00 0.00 C ATOM 954 C ASP A 60 13.352 -1.148 -0.576 1.00 0.00 C ATOM 955 O ASP A 60 13.306 -0.423 -1.551 1.00 0.00 O ATOM 956 CB ASP A 60 15.822 -1.525 -0.537 1.00 0.00 C ATOM 957 CG ASP A 60 16.083 -0.678 0.708 1.00 0.00 C ATOM 958 OD1 ASP A 60 15.129 -0.369 1.403 1.00 0.00 O ATOM 959 OD2 ASP A 60 17.234 -0.350 0.947 1.00 0.00 O ATOM 0 H ASP A 60 14.750 -2.993 -2.376 1.00 0.00 H new ATOM 0 HA ASP A 60 14.365 -2.672 0.558 1.00 0.00 H new ATOM 0 HB2 ASP A 60 16.601 -2.279 -0.647 1.00 0.00 H new ATOM 0 HB3 ASP A 60 15.856 -0.899 -1.429 1.00 0.00 H new ATOM 964 N LEU A 61 12.465 -1.058 0.376 1.00 0.00 N ATOM 965 CA LEU A 61 11.360 -0.063 0.274 1.00 0.00 C ATOM 966 C LEU A 61 11.568 1.039 1.316 1.00 0.00 C ATOM 967 O LEU A 61 10.726 1.892 1.509 1.00 0.00 O ATOM 968 CB LEU A 61 10.021 -0.758 0.528 1.00 0.00 C ATOM 969 CG LEU A 61 9.787 -1.824 -0.543 1.00 0.00 C ATOM 970 CD1 LEU A 61 8.467 -2.544 -0.268 1.00 0.00 C ATOM 971 CD2 LEU A 61 9.726 -1.156 -1.920 1.00 0.00 C ATOM 0 H LEU A 61 12.457 -1.630 1.220 1.00 0.00 H new ATOM 0 HA LEU A 61 11.358 0.375 -0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.019 -1.215 1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.212 -0.028 0.512 1.00 0.00 H new ATOM 0 HG LEU A 61 10.604 -2.545 -0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.301 -3.304 -1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.509 -3.018 0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.649 -1.824 -0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.559 -1.914 -2.685 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.908 -0.435 -1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.667 -0.642 -2.117 1.00 0.00 H new ATOM 983 N SER A 62 12.685 1.026 1.992 1.00 0.00 N ATOM 984 CA SER A 62 12.947 2.073 3.020 1.00 0.00 C ATOM 985 C SER A 62 12.734 3.457 2.403 1.00 0.00 C ATOM 986 O SER A 62 12.325 4.387 3.068 1.00 0.00 O ATOM 987 CB SER A 62 14.388 1.952 3.514 1.00 0.00 C ATOM 988 OG SER A 62 14.608 2.898 4.553 1.00 0.00 O ATOM 0 H SER A 62 13.427 0.336 1.877 1.00 0.00 H new ATOM 0 HA SER A 62 12.263 1.939 3.858 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.576 0.942 3.879 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.083 2.128 2.693 1.00 0.00 H new ATOM 0 HG SER A 62 15.531 2.823 4.874 1.00 0.00 H new ATOM 994 N THR A 63 13.010 3.601 1.135 1.00 0.00 N ATOM 995 CA THR A 63 12.834 4.926 0.480 1.00 0.00 C ATOM 996 C THR A 63 11.430 5.014 -0.123 1.00 0.00 C ATOM 997 O THR A 63 11.141 5.883 -0.924 1.00 0.00 O ATOM 998 CB THR A 63 13.876 5.092 -0.628 1.00 0.00 C ATOM 999 OG1 THR A 63 13.864 3.942 -1.463 1.00 0.00 O ATOM 1000 CG2 THR A 63 15.263 5.257 -0.005 1.00 0.00 C ATOM 0 H THR A 63 13.350 2.857 0.525 1.00 0.00 H new ATOM 0 HA THR A 63 12.963 5.716 1.220 1.00 0.00 H new ATOM 0 HB THR A 63 13.639 5.975 -1.221 1.00 0.00 H new ATOM 0 HG1 THR A 63 14.530 4.047 -2.174 1.00 0.00 H new ATOM 0 HG21 THR A 63 16.005 5.375 -0.795 1.00 0.00 H new ATOM 0 HG22 THR A 63 15.271 6.139 0.636 1.00 0.00 H new ATOM 0 HG23 THR A 63 15.502 4.375 0.589 1.00 0.00 H new ATOM 1008 N PHE A 64 10.556 4.122 0.252 1.00 0.00 N ATOM 1009 CA PHE A 64 9.172 4.156 -0.300 1.00 0.00 C ATOM 1010 C PHE A 64 8.289 5.033 0.592 1.00 0.00 C ATOM 1011 O PHE A 64 8.166 4.801 1.778 1.00 0.00 O ATOM 1012 CB PHE A 64 8.604 2.736 -0.342 1.00 0.00 C ATOM 1013 CG PHE A 64 7.219 2.764 -0.943 1.00 0.00 C ATOM 1014 CD1 PHE A 64 7.057 2.986 -2.316 1.00 0.00 C ATOM 1015 CD2 PHE A 64 6.098 2.569 -0.128 1.00 0.00 C ATOM 1016 CE1 PHE A 64 5.772 3.011 -2.873 1.00 0.00 C ATOM 1017 CE2 PHE A 64 4.814 2.596 -0.684 1.00 0.00 C ATOM 1018 CZ PHE A 64 4.651 2.817 -2.057 1.00 0.00 C ATOM 0 H PHE A 64 10.740 3.371 0.917 1.00 0.00 H new ATOM 0 HA PHE A 64 9.193 4.568 -1.309 1.00 0.00 H new ATOM 0 HB2 PHE A 64 9.255 2.090 -0.932 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.567 2.318 0.664 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.922 3.138 -2.945 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.224 2.398 0.931 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.646 3.180 -3.932 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.949 2.446 -0.054 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.660 2.838 -2.487 1.00 0.00 H new ATOM 1028 N ASP A 65 7.673 6.035 0.030 1.00 0.00 N ATOM 1029 CA ASP A 65 6.796 6.923 0.845 1.00 0.00 C ATOM 1030 C ASP A 65 5.449 6.235 1.077 1.00 0.00 C ATOM 1031 O ASP A 65 4.770 5.851 0.145 1.00 0.00 O ATOM 1032 CB ASP A 65 6.575 8.242 0.103 1.00 0.00 C ATOM 1033 CG ASP A 65 7.807 9.136 0.269 1.00 0.00 C ATOM 1034 OD1 ASP A 65 8.600 8.857 1.154 1.00 0.00 O ATOM 1035 OD2 ASP A 65 7.936 10.081 -0.490 1.00 0.00 O ATOM 0 H ASP A 65 7.738 6.278 -0.958 1.00 0.00 H new ATOM 0 HA ASP A 65 7.272 7.123 1.805 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.392 8.050 -0.954 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.691 8.747 0.493 1.00 0.00 H new ATOM 1040 N PHE A 66 5.056 6.080 2.310 1.00 0.00 N ATOM 1041 CA PHE A 66 3.747 5.428 2.599 1.00 0.00 C ATOM 1042 C PHE A 66 2.614 6.424 2.346 1.00 0.00 C ATOM 1043 O PHE A 66 1.600 6.090 1.768 1.00 0.00 O ATOM 1044 CB PHE A 66 3.714 4.978 4.061 1.00 0.00 C ATOM 1045 CG PHE A 66 2.360 4.391 4.377 1.00 0.00 C ATOM 1046 CD1 PHE A 66 2.105 3.039 4.115 1.00 0.00 C ATOM 1047 CD2 PHE A 66 1.358 5.196 4.931 1.00 0.00 C ATOM 1048 CE1 PHE A 66 0.849 2.493 4.406 1.00 0.00 C ATOM 1049 CE2 PHE A 66 0.103 4.651 5.224 1.00 0.00 C ATOM 1050 CZ PHE A 66 -0.152 3.300 4.961 1.00 0.00 C ATOM 0 H PHE A 66 5.584 6.376 3.131 1.00 0.00 H new ATOM 0 HA PHE A 66 3.621 4.562 1.949 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.494 4.239 4.243 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.918 5.824 4.718 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.878 2.417 3.688 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.554 6.239 5.133 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.652 1.451 4.203 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.669 5.273 5.653 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.121 2.880 5.186 1.00 0.00 H new ATOM 1060 N ARG A 67 2.778 7.645 2.776 1.00 0.00 N ATOM 1061 CA ARG A 67 1.700 8.655 2.581 1.00 0.00 C ATOM 1062 C ARG A 67 1.445 8.846 1.084 1.00 0.00 C ATOM 1063 O ARG A 67 0.317 8.879 0.636 1.00 0.00 O ATOM 1064 CB ARG A 67 2.129 9.987 3.200 1.00 0.00 C ATOM 1065 CG ARG A 67 0.928 10.647 3.876 1.00 0.00 C ATOM 1066 CD ARG A 67 -0.128 10.989 2.823 1.00 0.00 C ATOM 1067 NE ARG A 67 0.470 11.889 1.795 1.00 0.00 N ATOM 1068 CZ ARG A 67 -0.248 12.286 0.781 1.00 0.00 C ATOM 1069 NH1 ARG A 67 -1.488 11.897 0.665 1.00 0.00 N ATOM 1070 NH2 ARG A 67 0.275 13.074 -0.120 1.00 0.00 N ATOM 0 H ARG A 67 3.612 7.987 3.254 1.00 0.00 H new ATOM 0 HA ARG A 67 0.786 8.309 3.064 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.924 9.823 3.927 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.533 10.644 2.430 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.506 9.977 4.625 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.243 11.551 4.398 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.498 10.077 2.353 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.983 11.474 3.294 1.00 0.00 H new ATOM 0 HE ARG A 67 1.439 12.194 1.885 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.897 11.282 1.368 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.048 12.208 -0.129 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.244 13.378 -0.030 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.286 13.385 -0.913 1.00 0.00 H new ATOM 1084 N THR A 68 2.487 8.972 0.307 1.00 0.00 N ATOM 1085 CA THR A 68 2.303 9.181 -1.157 1.00 0.00 C ATOM 1086 C THR A 68 2.321 7.829 -1.872 1.00 0.00 C ATOM 1087 O THR A 68 1.882 7.705 -2.998 1.00 0.00 O ATOM 1088 CB THR A 68 3.437 10.059 -1.694 1.00 0.00 C ATOM 1089 OG1 THR A 68 4.682 9.416 -1.461 1.00 0.00 O ATOM 1090 CG2 THR A 68 3.419 11.412 -0.981 1.00 0.00 C ATOM 0 H THR A 68 3.456 8.939 0.623 1.00 0.00 H new ATOM 0 HA THR A 68 1.347 9.673 -1.336 1.00 0.00 H new ATOM 0 HB THR A 68 3.301 10.213 -2.764 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.409 9.976 -1.806 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.227 12.036 -1.364 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.463 11.905 -1.160 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.554 11.261 0.090 1.00 0.00 H new ATOM 1098 N GLY A 69 2.829 6.814 -1.227 1.00 0.00 N ATOM 1099 CA GLY A 69 2.881 5.472 -1.874 1.00 0.00 C ATOM 1100 C GLY A 69 3.775 5.537 -3.114 1.00 0.00 C ATOM 1101 O GLY A 69 3.592 4.798 -4.061 1.00 0.00 O ATOM 0 H GLY A 69 3.210 6.856 -0.282 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.268 4.733 -1.172 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.877 5.152 -2.153 1.00 0.00 H new ATOM 1105 N LYS A 70 4.739 6.416 -3.116 1.00 0.00 N ATOM 1106 CA LYS A 70 5.635 6.535 -4.301 1.00 0.00 C ATOM 1107 C LYS A 70 7.092 6.387 -3.855 1.00 0.00 C ATOM 1108 O LYS A 70 7.437 6.673 -2.726 1.00 0.00 O ATOM 1109 CB LYS A 70 5.439 7.905 -4.954 1.00 0.00 C ATOM 1110 CG LYS A 70 4.044 7.978 -5.578 1.00 0.00 C ATOM 1111 CD LYS A 70 3.835 9.359 -6.203 1.00 0.00 C ATOM 1112 CE LYS A 70 2.472 9.406 -6.895 1.00 0.00 C ATOM 1113 NZ LYS A 70 1.394 9.251 -5.878 1.00 0.00 N ATOM 0 H LYS A 70 4.945 7.056 -2.349 1.00 0.00 H new ATOM 0 HA LYS A 70 5.393 5.752 -5.020 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.559 8.694 -4.212 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.200 8.068 -5.718 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.933 7.203 -6.337 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.284 7.792 -4.819 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.891 10.130 -5.434 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.627 9.568 -6.922 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.354 10.351 -7.425 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.402 8.612 -7.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.488 9.564 -6.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.321 8.252 -5.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.619 9.829 -5.043 1.00 0.00 H new ATOM 1127 N MET A 71 7.949 5.941 -4.733 1.00 0.00 N ATOM 1128 CA MET A 71 9.380 5.770 -4.357 1.00 0.00 C ATOM 1129 C MET A 71 10.146 7.057 -4.664 1.00 0.00 C ATOM 1130 O MET A 71 10.111 7.564 -5.767 1.00 0.00 O ATOM 1131 CB MET A 71 9.983 4.615 -5.158 1.00 0.00 C ATOM 1132 CG MET A 71 11.442 4.410 -4.743 1.00 0.00 C ATOM 1133 SD MET A 71 12.104 2.942 -5.567 1.00 0.00 S ATOM 1134 CE MET A 71 11.994 1.818 -4.152 1.00 0.00 C ATOM 0 H MET A 71 7.719 5.688 -5.694 1.00 0.00 H new ATOM 0 HA MET A 71 9.451 5.550 -3.292 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.413 3.702 -4.985 1.00 0.00 H new ATOM 0 HB3 MET A 71 9.924 4.829 -6.225 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.033 5.287 -5.008 1.00 0.00 H new ATOM 0 HG3 MET A 71 11.511 4.295 -3.661 1.00 0.00 H new ATOM 0 HE1 MET A 71 12.359 0.832 -4.441 1.00 0.00 H new ATOM 0 HE2 MET A 71 12.601 2.204 -3.333 1.00 0.00 H new ATOM 0 HE3 MET A 71 10.956 1.740 -3.829 1.00 0.00 H new ATOM 1144 N LEU A 72 10.840 7.592 -3.696 1.00 0.00 N ATOM 1145 CA LEU A 72 11.612 8.843 -3.935 1.00 0.00 C ATOM 1146 C LEU A 72 12.912 8.804 -3.128 1.00 0.00 C ATOM 1147 CB LEU A 72 10.777 10.049 -3.498 1.00 0.00 C ATOM 1148 CG LEU A 72 11.177 11.273 -4.323 1.00 0.00 C ATOM 1149 CD1 LEU A 72 10.357 12.483 -3.873 1.00 0.00 C ATOM 1150 CD2 LEU A 72 12.666 11.561 -4.116 1.00 0.00 C ATOM 0 H LEU A 72 10.905 7.216 -2.750 1.00 0.00 H new ATOM 0 HA LEU A 72 11.846 8.928 -4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.716 9.838 -3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.931 10.246 -2.437 1.00 0.00 H new ATOM 0 HG LEU A 72 10.986 11.078 -5.378 1.00 0.00 H new ATOM 0 HD11 LEU A 72 10.642 13.355 -4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.296 12.278 -4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.547 12.679 -2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 72 12.953 12.433 -4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 72 12.856 11.756 -3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 72 13.251 10.699 -4.437 1.00 0.00 H new