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 39 SER OG : rot 152:sc= -0.565 USER MOD Set 1.2: A 41 SER OG : rot -61:sc= -0.0849 USER MOD Set 1.3: A 54 TYR OH : rot 180:sc= 0.0026 USER MOD Single : A 6 LYS NZ :NH3+ 163:sc= -0.0175 (180deg=-0.263) USER MOD Single : A 10 CYS SG : rot 180:sc= -0.611 USER MOD Single : A 15 GLN : amide:sc= -0.0614 X(o=-0.061,f=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.0826 X(o=-0.083,f=-0.19) USER MOD Single : A 37 TYR OH : rot 33:sc= -0.756 USER MOD Single : A 38 TYR OH : rot 32:sc= 0.178 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.141) USER MOD Single : A 47 SER OG : rot 180:sc= -0.913 USER MOD Single : A 48 LYS NZ :NH3+ -125:sc= 0.311 (180deg=-2.7!) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 58 SER OG : rot -96:sc= 0.709! USER MOD Single : A 59 MET CE :methyl 150:sc= 0 (180deg=-0.0249) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -170:sc= -3.43 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N ARG A 5 -13.542 4.658 -3.513 1.00 0.00 N ATOM 54 CA ARG A 5 -12.093 4.416 -3.262 1.00 0.00 C ATOM 55 C ARG A 5 -11.293 4.756 -4.520 1.00 0.00 C ATOM 56 O ARG A 5 -11.632 4.348 -5.614 1.00 0.00 O ATOM 57 CB ARG A 5 -11.877 2.944 -2.903 1.00 0.00 C ATOM 58 CG ARG A 5 -12.600 2.627 -1.592 1.00 0.00 C ATOM 59 CD ARG A 5 -12.421 1.144 -1.256 1.00 0.00 C ATOM 60 NE ARG A 5 -13.174 0.823 -0.011 1.00 0.00 N ATOM 61 CZ ARG A 5 -14.426 0.463 -0.080 1.00 0.00 C ATOM 62 NH1 ARG A 5 -15.019 0.385 -1.240 1.00 0.00 N ATOM 63 NH2 ARG A 5 -15.086 0.183 1.010 1.00 0.00 N ATOM 0 HA ARG A 5 -11.757 5.045 -2.437 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -12.253 2.305 -3.702 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.812 2.736 -2.803 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -12.202 3.244 -0.786 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.660 2.865 -1.682 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -12.780 0.527 -2.080 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -11.364 0.915 -1.124 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.710 0.885 0.895 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -14.504 0.605 -2.092 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -15.998 0.104 -1.294 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -14.623 0.246 1.917 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -16.065 -0.098 0.955 1.00 0.00 H new ATOM 77 N LYS A 6 -10.234 5.503 -4.377 1.00 0.00 N ATOM 78 CA LYS A 6 -9.410 5.865 -5.565 1.00 0.00 C ATOM 79 C LYS A 6 -8.176 4.964 -5.625 1.00 0.00 C ATOM 80 O LYS A 6 -7.188 5.201 -4.957 1.00 0.00 O ATOM 81 CB LYS A 6 -8.969 7.327 -5.454 1.00 0.00 C ATOM 82 CG LYS A 6 -10.125 8.170 -4.914 1.00 0.00 C ATOM 83 CD LYS A 6 -11.357 7.975 -5.800 1.00 0.00 C ATOM 84 CE LYS A 6 -12.467 8.926 -5.348 1.00 0.00 C ATOM 85 NZ LYS A 6 -12.121 10.319 -5.746 1.00 0.00 N ATOM 0 H LYS A 6 -9.903 5.879 -3.488 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.001 5.731 -6.471 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.106 7.408 -4.793 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.659 7.699 -6.430 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.352 7.880 -3.888 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.842 9.223 -4.893 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.102 8.166 -6.842 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.701 6.943 -5.740 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.416 8.633 -5.797 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.594 8.866 -4.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.974 10.913 -5.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.404 10.698 -5.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.743 10.320 -6.715 1.00 0.00 H new ATOM 99 N ARG A 7 -8.223 3.928 -6.418 1.00 0.00 N ATOM 100 CA ARG A 7 -7.057 3.005 -6.510 1.00 0.00 C ATOM 101 C ARG A 7 -5.907 3.707 -7.235 1.00 0.00 C ATOM 102 O ARG A 7 -6.086 4.738 -7.852 1.00 0.00 O ATOM 103 CB ARG A 7 -7.460 1.750 -7.287 1.00 0.00 C ATOM 104 CG ARG A 7 -8.552 1.003 -6.521 1.00 0.00 C ATOM 105 CD ARG A 7 -9.023 -0.198 -7.343 1.00 0.00 C ATOM 106 NE ARG A 7 -7.903 -1.169 -7.490 1.00 0.00 N ATOM 107 CZ ARG A 7 -8.033 -2.202 -8.278 1.00 0.00 C ATOM 108 NH1 ARG A 7 -9.144 -2.384 -8.936 1.00 0.00 N ATOM 109 NH2 ARG A 7 -7.051 -3.052 -8.406 1.00 0.00 N ATOM 0 H ARG A 7 -9.019 3.681 -7.006 1.00 0.00 H new ATOM 0 HA ARG A 7 -6.736 2.724 -5.507 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.819 2.024 -8.279 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.594 1.104 -7.429 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -8.170 0.669 -5.556 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -9.390 1.670 -6.319 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.872 -0.677 -6.854 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.365 0.131 -8.324 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.034 -1.027 -6.975 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -9.911 -1.719 -8.835 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -9.246 -3.191 -9.552 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.182 -2.909 -7.891 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -7.152 -3.859 -9.021 1.00 0.00 H new ATOM 123 N TRP A 8 -4.725 3.157 -7.164 1.00 0.00 N ATOM 124 CA TRP A 8 -3.563 3.799 -7.839 1.00 0.00 C ATOM 125 C TRP A 8 -2.401 2.807 -7.911 1.00 0.00 C ATOM 126 O TRP A 8 -2.167 2.043 -6.995 1.00 0.00 O ATOM 127 CB TRP A 8 -3.130 5.033 -7.043 1.00 0.00 C ATOM 128 CG TRP A 8 -3.911 6.222 -7.504 1.00 0.00 C ATOM 129 CD1 TRP A 8 -4.017 6.631 -8.788 1.00 0.00 C ATOM 130 CD2 TRP A 8 -4.695 7.159 -6.709 1.00 0.00 C ATOM 131 NE1 TRP A 8 -4.816 7.761 -8.834 1.00 0.00 N ATOM 132 CE2 TRP A 8 -5.258 8.124 -7.577 1.00 0.00 C ATOM 133 CE3 TRP A 8 -4.970 7.265 -5.334 1.00 0.00 C ATOM 134 CZ2 TRP A 8 -6.065 9.157 -7.098 1.00 0.00 C ATOM 135 CZ3 TRP A 8 -5.780 8.302 -4.848 1.00 0.00 C ATOM 136 CH2 TRP A 8 -6.327 9.248 -5.728 1.00 0.00 C ATOM 0 H TRP A 8 -4.515 2.291 -6.668 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.849 4.097 -8.848 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.293 4.868 -5.978 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -2.063 5.210 -7.178 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -3.554 6.154 -9.639 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -5.049 8.263 -9.691 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.554 6.543 -4.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -6.484 9.881 -7.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -5.984 8.373 -3.790 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -6.949 10.045 -5.348 1.00 0.00 H new ATOM 147 N GLU A 9 -1.673 2.809 -8.993 1.00 0.00 N ATOM 148 CA GLU A 9 -0.517 1.877 -9.115 1.00 0.00 C ATOM 149 C GLU A 9 0.788 2.676 -9.090 1.00 0.00 C ATOM 150 O GLU A 9 0.891 3.735 -9.676 1.00 0.00 O ATOM 151 CB GLU A 9 -0.618 1.108 -10.434 1.00 0.00 C ATOM 152 CG GLU A 9 -1.801 0.140 -10.370 1.00 0.00 C ATOM 153 CD GLU A 9 -1.942 -0.583 -11.711 1.00 0.00 C ATOM 154 OE1 GLU A 9 -1.117 -0.348 -12.578 1.00 0.00 O ATOM 155 OE2 GLU A 9 -2.873 -1.360 -11.847 1.00 0.00 O ATOM 0 H GLU A 9 -1.828 3.416 -9.798 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.529 1.174 -8.282 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.747 1.803 -11.264 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.305 0.559 -10.619 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -1.650 -0.583 -9.569 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.717 0.684 -10.140 1.00 0.00 H new ATOM 162 N CYS A 10 1.787 2.176 -8.414 1.00 0.00 N ATOM 163 CA CYS A 10 3.083 2.909 -8.349 1.00 0.00 C ATOM 164 C CYS A 10 4.221 1.972 -8.759 1.00 0.00 C ATOM 165 O CYS A 10 4.234 0.808 -8.412 1.00 0.00 O ATOM 166 CB CYS A 10 3.318 3.400 -6.919 1.00 0.00 C ATOM 167 SG CYS A 10 5.078 3.752 -6.684 1.00 0.00 S ATOM 0 H CYS A 10 1.761 1.293 -7.905 1.00 0.00 H new ATOM 0 HA CYS A 10 3.053 3.762 -9.027 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.728 4.297 -6.729 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.989 2.645 -6.205 1.00 0.00 H new ATOM 0 HG CYS A 10 5.278 4.171 -5.470 1.00 0.00 H new ATOM 173 N PRO A 11 5.169 2.485 -9.494 1.00 0.00 N ATOM 174 CA PRO A 11 6.348 1.698 -9.957 1.00 0.00 C ATOM 175 C PRO A 11 7.040 0.962 -8.805 1.00 0.00 C ATOM 176 O PRO A 11 7.594 -0.105 -8.980 1.00 0.00 O ATOM 177 CB PRO A 11 7.280 2.754 -10.552 1.00 0.00 C ATOM 178 CG PRO A 11 6.397 3.896 -10.932 1.00 0.00 C ATOM 179 CD PRO A 11 5.217 3.875 -9.969 1.00 0.00 C ATOM 0 HA PRO A 11 6.063 0.921 -10.666 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.034 3.065 -9.829 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.812 2.364 -11.419 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.936 4.841 -10.864 1.00 0.00 H new ATOM 0 HG3 PRO A 11 6.057 3.796 -11.963 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.362 4.573 -9.145 1.00 0.00 H new ATOM 0 HD3 PRO A 11 4.290 4.158 -10.468 1.00 0.00 H new ATOM 187 N ALA A 12 7.013 1.524 -7.627 1.00 0.00 N ATOM 188 CA ALA A 12 7.678 0.862 -6.471 1.00 0.00 C ATOM 189 C ALA A 12 6.804 -0.292 -5.972 1.00 0.00 C ATOM 190 O ALA A 12 7.224 -1.098 -5.167 1.00 0.00 O ATOM 191 CB ALA A 12 7.871 1.878 -5.343 1.00 0.00 C ATOM 0 H ALA A 12 6.559 2.413 -7.416 1.00 0.00 H new ATOM 0 HA ALA A 12 8.648 0.476 -6.783 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.358 1.394 -4.496 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.492 2.701 -5.697 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.901 2.264 -5.031 1.00 0.00 H new ATOM 197 N LEU A 13 5.592 -0.378 -6.446 1.00 0.00 N ATOM 198 CA LEU A 13 4.692 -1.479 -6.000 1.00 0.00 C ATOM 199 C LEU A 13 4.856 -2.681 -6.931 1.00 0.00 C ATOM 200 O LEU A 13 4.557 -2.610 -8.107 1.00 0.00 O ATOM 201 CB LEU A 13 3.240 -0.999 -6.037 1.00 0.00 C ATOM 202 CG LEU A 13 2.789 -0.623 -4.625 1.00 0.00 C ATOM 203 CD1 LEU A 13 3.706 0.469 -4.069 1.00 0.00 C ATOM 204 CD2 LEU A 13 1.350 -0.105 -4.671 1.00 0.00 C ATOM 0 H LEU A 13 5.185 0.267 -7.124 1.00 0.00 H new ATOM 0 HA LEU A 13 4.952 -1.770 -4.982 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.147 -0.139 -6.701 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.597 -1.782 -6.439 1.00 0.00 H new ATOM 0 HG LEU A 13 2.840 -1.502 -3.982 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.384 0.737 -3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.732 0.101 -4.036 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.656 1.348 -4.712 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.028 0.163 -3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.300 0.773 -5.314 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.696 -0.882 -5.066 1.00 0.00 H new ATOM 216 N PRO A 14 5.330 -3.777 -6.404 1.00 0.00 N ATOM 217 CA PRO A 14 5.552 -5.022 -7.192 1.00 0.00 C ATOM 218 C PRO A 14 4.314 -5.427 -7.997 1.00 0.00 C ATOM 219 O PRO A 14 3.195 -5.293 -7.542 1.00 0.00 O ATOM 220 CB PRO A 14 5.866 -6.076 -6.129 1.00 0.00 C ATOM 221 CG PRO A 14 6.358 -5.313 -4.944 1.00 0.00 C ATOM 222 CD PRO A 14 5.705 -3.945 -4.993 1.00 0.00 C ATOM 0 HA PRO A 14 6.346 -4.897 -7.929 1.00 0.00 H new ATOM 0 HB2 PRO A 14 4.979 -6.659 -5.880 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.620 -6.779 -6.484 1.00 0.00 H new ATOM 0 HG2 PRO A 14 6.101 -5.830 -4.019 1.00 0.00 H new ATOM 0 HG3 PRO A 14 7.444 -5.223 -4.968 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.833 -3.896 -4.340 1.00 0.00 H new ATOM 0 HD3 PRO A 14 6.392 -3.164 -4.667 1.00 0.00 H new ATOM 230 N GLN A 15 4.505 -5.920 -9.189 1.00 0.00 N ATOM 231 CA GLN A 15 3.339 -6.322 -10.025 1.00 0.00 C ATOM 232 C GLN A 15 2.342 -7.105 -9.169 1.00 0.00 C ATOM 233 O GLN A 15 2.577 -8.242 -8.811 1.00 0.00 O ATOM 234 CB GLN A 15 3.819 -7.200 -11.182 1.00 0.00 C ATOM 235 CG GLN A 15 5.097 -7.933 -10.771 1.00 0.00 C ATOM 236 CD GLN A 15 5.377 -9.065 -11.761 1.00 0.00 C ATOM 237 OE1 GLN A 15 5.705 -10.165 -11.366 1.00 0.00 O ATOM 238 NE2 GLN A 15 5.262 -8.840 -13.042 1.00 0.00 N ATOM 0 H GLN A 15 5.418 -6.062 -9.621 1.00 0.00 H new ATOM 0 HA GLN A 15 2.854 -5.431 -10.423 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.046 -7.919 -11.452 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.006 -6.587 -12.064 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.937 -7.238 -10.750 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.990 -8.335 -9.763 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.986 -7.916 -13.375 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.448 -9.588 -13.710 1.00 0.00 H new ATOM 247 N GLY A 16 1.231 -6.508 -8.839 1.00 0.00 N ATOM 248 CA GLY A 16 0.209 -7.231 -8.030 1.00 0.00 C ATOM 249 C GLY A 16 -0.161 -6.392 -6.805 1.00 0.00 C ATOM 250 O GLY A 16 -1.230 -6.533 -6.244 1.00 0.00 O ATOM 0 H GLY A 16 0.986 -5.551 -9.094 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.678 -7.423 -8.633 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.597 -8.200 -7.716 1.00 0.00 H new ATOM 254 N TRP A 17 0.712 -5.519 -6.386 1.00 0.00 N ATOM 255 CA TRP A 17 0.398 -4.653 -5.215 1.00 0.00 C ATOM 256 C TRP A 17 -0.490 -3.491 -5.664 1.00 0.00 C ATOM 257 O TRP A 17 -0.288 -2.911 -6.713 1.00 0.00 O ATOM 258 CB TRP A 17 1.698 -4.103 -4.624 1.00 0.00 C ATOM 259 CG TRP A 17 2.423 -5.198 -3.910 1.00 0.00 C ATOM 260 CD1 TRP A 17 2.871 -6.336 -4.488 1.00 0.00 C ATOM 261 CD2 TRP A 17 2.791 -5.280 -2.503 1.00 0.00 C ATOM 262 NE1 TRP A 17 3.491 -7.111 -3.524 1.00 0.00 N ATOM 263 CE2 TRP A 17 3.467 -6.502 -2.285 1.00 0.00 C ATOM 264 CE3 TRP A 17 2.605 -4.419 -1.406 1.00 0.00 C ATOM 265 CZ2 TRP A 17 3.942 -6.861 -1.022 1.00 0.00 C ATOM 266 CZ3 TRP A 17 3.082 -4.777 -0.133 1.00 0.00 C ATOM 267 CH2 TRP A 17 3.749 -5.995 0.057 1.00 0.00 C ATOM 0 H TRP A 17 1.630 -5.368 -6.804 1.00 0.00 H new ATOM 0 HA TRP A 17 -0.125 -5.239 -4.459 1.00 0.00 H new ATOM 0 HB2 TRP A 17 2.325 -3.693 -5.416 1.00 0.00 H new ATOM 0 HB3 TRP A 17 1.480 -3.287 -3.935 1.00 0.00 H new ATOM 0 HD1 TRP A 17 2.763 -6.597 -5.530 1.00 0.00 H new ATOM 0 HE1 TRP A 17 3.914 -8.021 -3.706 1.00 0.00 H new ATOM 0 HE3 TRP A 17 2.093 -3.478 -1.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.455 -7.801 -0.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.934 -4.110 0.703 1.00 0.00 H new ATOM 0 HH2 TRP A 17 4.114 -6.264 1.037 1.00 0.00 H new ATOM 278 N GLU A 18 -1.473 -3.145 -4.877 1.00 0.00 N ATOM 279 CA GLU A 18 -2.399 -2.048 -5.280 1.00 0.00 C ATOM 280 C GLU A 18 -2.492 -1.020 -4.151 1.00 0.00 C ATOM 281 O GLU A 18 -2.348 -1.343 -2.989 1.00 0.00 O ATOM 282 CB GLU A 18 -3.787 -2.629 -5.558 1.00 0.00 C ATOM 283 CG GLU A 18 -3.716 -3.570 -6.762 1.00 0.00 C ATOM 284 CD GLU A 18 -5.062 -4.274 -6.940 1.00 0.00 C ATOM 285 OE1 GLU A 18 -5.948 -4.030 -6.136 1.00 0.00 O ATOM 286 OE2 GLU A 18 -5.186 -5.048 -7.876 1.00 0.00 O ATOM 0 H GLU A 18 -1.675 -3.574 -3.974 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.021 -1.565 -6.181 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.149 -3.168 -4.683 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.497 -1.825 -5.753 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.466 -3.008 -7.662 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.925 -4.306 -6.616 1.00 0.00 H new ATOM 293 N ARG A 19 -2.732 0.219 -4.484 1.00 0.00 N ATOM 294 CA ARG A 19 -2.883 1.260 -3.428 1.00 0.00 C ATOM 295 C ARG A 19 -4.186 2.029 -3.652 1.00 0.00 C ATOM 296 O ARG A 19 -4.644 2.180 -4.767 1.00 0.00 O ATOM 297 CB ARG A 19 -1.700 2.229 -3.495 1.00 0.00 C ATOM 298 CG ARG A 19 -1.811 3.250 -2.360 1.00 0.00 C ATOM 299 CD ARG A 19 -0.744 4.330 -2.540 1.00 0.00 C ATOM 300 NE ARG A 19 -1.072 5.159 -3.734 1.00 0.00 N ATOM 301 CZ ARG A 19 -0.114 5.698 -4.438 1.00 0.00 C ATOM 302 NH1 ARG A 19 1.131 5.512 -4.095 1.00 0.00 N ATOM 303 NH2 ARG A 19 -0.402 6.426 -5.482 1.00 0.00 N ATOM 0 H ARG A 19 -2.830 0.555 -5.442 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.907 0.783 -2.448 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.762 1.680 -3.414 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.689 2.740 -4.458 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.803 3.701 -2.358 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.684 2.755 -1.397 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.694 4.958 -1.651 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.237 3.870 -2.662 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.045 5.305 -4.001 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.355 4.946 -3.277 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.880 5.933 -4.645 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.376 6.574 -5.748 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.346 6.847 -6.032 1.00 0.00 H new ATOM 317 N GLU A 20 -4.788 2.515 -2.600 1.00 0.00 N ATOM 318 CA GLU A 20 -6.069 3.258 -2.754 1.00 0.00 C ATOM 319 C GLU A 20 -6.259 4.200 -1.564 1.00 0.00 C ATOM 320 O GLU A 20 -5.949 3.866 -0.438 1.00 0.00 O ATOM 321 CB GLU A 20 -7.232 2.265 -2.808 1.00 0.00 C ATOM 322 CG GLU A 20 -7.357 1.552 -1.460 1.00 0.00 C ATOM 323 CD GLU A 20 -8.447 0.481 -1.549 1.00 0.00 C ATOM 324 OE1 GLU A 20 -8.538 -0.159 -2.584 1.00 0.00 O ATOM 325 OE2 GLU A 20 -9.172 0.321 -0.580 1.00 0.00 O ATOM 0 H GLU A 20 -4.448 2.429 -1.642 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.043 3.838 -3.676 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.160 2.787 -3.043 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.066 1.537 -3.602 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.405 1.096 -1.188 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.601 2.271 -0.678 1.00 0.00 H new ATOM 332 N GLU A 21 -6.767 5.379 -1.805 1.00 0.00 N ATOM 333 CA GLU A 21 -7.009 6.330 -0.683 1.00 0.00 C ATOM 334 C GLU A 21 -8.481 6.265 -0.272 1.00 0.00 C ATOM 335 O GLU A 21 -9.369 6.295 -1.101 1.00 0.00 O ATOM 336 CB GLU A 21 -6.668 7.752 -1.136 1.00 0.00 C ATOM 337 CG GLU A 21 -6.799 8.711 0.048 1.00 0.00 C ATOM 338 CD GLU A 21 -6.400 10.121 -0.392 1.00 0.00 C ATOM 339 OE1 GLU A 21 -6.325 10.348 -1.588 1.00 0.00 O ATOM 340 OE2 GLU A 21 -6.179 10.950 0.476 1.00 0.00 O ATOM 0 H GLU A 21 -7.024 5.724 -2.730 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.381 6.060 0.166 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.654 7.785 -1.533 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.336 8.058 -1.941 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.824 8.710 0.419 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.163 8.381 0.869 1.00 0.00 H new ATOM 347 N VAL A 22 -8.749 6.175 1.003 1.00 0.00 N ATOM 348 CA VAL A 22 -10.164 6.082 1.461 1.00 0.00 C ATOM 349 C VAL A 22 -10.351 6.931 2.721 1.00 0.00 C ATOM 350 O VAL A 22 -9.958 6.544 3.804 1.00 0.00 O ATOM 351 CB VAL A 22 -10.503 4.624 1.775 1.00 0.00 C ATOM 352 CG1 VAL A 22 -12.021 4.438 1.751 1.00 0.00 C ATOM 353 CG2 VAL A 22 -9.862 3.715 0.724 1.00 0.00 C ATOM 0 H VAL A 22 -8.050 6.162 1.746 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.824 6.449 0.675 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.120 4.366 2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.264 3.399 1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.479 5.087 2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.404 4.695 0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.103 2.675 0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.246 3.973 -0.263 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.780 3.848 0.739 1.00 0.00 H new ATOM 363 N PRO A 23 -10.951 8.081 2.574 1.00 0.00 N ATOM 364 CA PRO A 23 -11.228 9.000 3.713 1.00 0.00 C ATOM 365 C PRO A 23 -12.024 8.316 4.828 1.00 0.00 C ATOM 366 O PRO A 23 -13.044 7.701 4.587 1.00 0.00 O ATOM 367 CB PRO A 23 -12.050 10.122 3.080 1.00 0.00 C ATOM 368 CG PRO A 23 -11.714 10.088 1.625 1.00 0.00 C ATOM 369 CD PRO A 23 -11.431 8.630 1.296 1.00 0.00 C ATOM 0 HA PRO A 23 -10.310 9.347 4.188 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -13.117 9.966 3.241 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.800 11.088 3.519 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.539 10.471 1.025 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.847 10.712 1.410 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.327 8.115 0.948 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.682 8.533 0.510 1.00 0.00 H new ATOM 377 N ARG A 24 -11.566 8.415 6.046 1.00 0.00 N ATOM 378 CA ARG A 24 -12.302 7.775 7.173 1.00 0.00 C ATOM 379 C ARG A 24 -13.718 8.348 7.248 1.00 0.00 C ATOM 380 O ARG A 24 -13.933 9.527 7.049 1.00 0.00 O ATOM 381 CB ARG A 24 -11.567 8.055 8.484 1.00 0.00 C ATOM 382 CG ARG A 24 -10.262 7.256 8.519 1.00 0.00 C ATOM 383 CD ARG A 24 -9.509 7.562 9.816 1.00 0.00 C ATOM 384 NE ARG A 24 -8.252 6.765 9.860 1.00 0.00 N ATOM 385 CZ ARG A 24 -7.567 6.688 10.969 1.00 0.00 C ATOM 386 NH1 ARG A 24 -7.983 7.309 12.038 1.00 0.00 N ATOM 387 NH2 ARG A 24 -6.464 5.990 11.007 1.00 0.00 N ATOM 0 H ARG A 24 -10.715 8.911 6.309 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.355 6.699 7.009 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.356 9.121 8.574 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.196 7.782 9.331 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.475 6.189 8.453 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.644 7.512 7.658 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.280 8.626 9.874 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.134 7.324 10.677 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.926 6.279 9.024 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.844 7.855 12.008 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.447 7.248 12.904 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.138 5.505 10.171 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.928 5.929 11.873 1.00 0.00 H new ATOM 490 N HIS A 32 -10.413 12.591 8.044 1.00 0.00 N ATOM 491 CA HIS A 32 -8.947 12.342 7.959 1.00 0.00 C ATOM 492 C HIS A 32 -8.660 11.377 6.806 1.00 0.00 C ATOM 493 O HIS A 32 -8.853 10.184 6.920 1.00 0.00 O ATOM 494 CB HIS A 32 -8.456 11.728 9.272 1.00 0.00 C ATOM 495 CG HIS A 32 -8.499 12.768 10.358 1.00 0.00 C ATOM 496 ND1 HIS A 32 -7.983 14.045 10.181 1.00 0.00 N ATOM 497 CD2 HIS A 32 -8.990 12.736 11.640 1.00 0.00 C ATOM 498 CE1 HIS A 32 -8.176 14.722 11.328 1.00 0.00 C ATOM 499 NE2 HIS A 32 -8.784 13.969 12.246 1.00 0.00 N ATOM 0 HA HIS A 32 -8.428 13.284 7.783 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -9.080 10.877 9.544 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -7.440 11.353 9.153 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -9.463 11.884 12.105 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -7.876 15.747 11.486 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -9.043 14.241 13.194 1.00 0.00 H new ATOM 508 N ARG A 33 -8.202 11.885 5.695 1.00 0.00 N ATOM 509 CA ARG A 33 -7.894 10.996 4.540 1.00 0.00 C ATOM 510 C ARG A 33 -6.945 9.883 4.992 1.00 0.00 C ATOM 511 O ARG A 33 -5.951 10.131 5.647 1.00 0.00 O ATOM 512 CB ARG A 33 -7.232 11.812 3.429 1.00 0.00 C ATOM 513 CG ARG A 33 -8.258 12.768 2.817 1.00 0.00 C ATOM 514 CD ARG A 33 -7.591 13.598 1.718 1.00 0.00 C ATOM 515 NE ARG A 33 -8.588 14.535 1.130 1.00 0.00 N ATOM 516 CZ ARG A 33 -8.200 15.457 0.291 1.00 0.00 C ATOM 517 NH1 ARG A 33 -6.939 15.557 -0.032 1.00 0.00 N ATOM 518 NH2 ARG A 33 -9.073 16.279 -0.225 1.00 0.00 N ATOM 0 H ARG A 33 -8.028 12.878 5.537 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.818 10.556 4.164 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.389 12.375 3.830 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.836 11.147 2.662 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.095 12.205 2.404 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.664 13.424 3.587 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.750 14.156 2.129 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.191 12.943 0.944 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.573 14.457 1.383 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.257 14.915 0.371 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.636 16.277 -0.688 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.058 16.201 0.027 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.770 16.999 -0.880 1.00 0.00 H new ATOM 532 N ASP A 34 -7.242 8.661 4.646 1.00 0.00 N ATOM 533 CA ASP A 34 -6.350 7.536 5.047 1.00 0.00 C ATOM 534 C ASP A 34 -5.944 6.740 3.804 1.00 0.00 C ATOM 535 O ASP A 34 -6.682 6.650 2.845 1.00 0.00 O ATOM 536 CB ASP A 34 -7.093 6.619 6.020 1.00 0.00 C ATOM 537 CG ASP A 34 -6.136 5.542 6.537 1.00 0.00 C ATOM 538 OD1 ASP A 34 -5.030 5.467 6.030 1.00 0.00 O ATOM 539 OD2 ASP A 34 -6.528 4.812 7.432 1.00 0.00 O ATOM 0 H ASP A 34 -8.063 8.392 4.103 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.458 7.933 5.532 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.489 7.199 6.853 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.944 6.155 5.522 1.00 0.00 H new ATOM 544 N VAL A 35 -4.775 6.161 3.815 1.00 0.00 N ATOM 545 CA VAL A 35 -4.315 5.389 2.628 1.00 0.00 C ATOM 546 C VAL A 35 -4.127 3.921 3.016 1.00 0.00 C ATOM 547 O VAL A 35 -3.542 3.608 4.034 1.00 0.00 O ATOM 548 CB VAL A 35 -2.985 5.959 2.132 1.00 0.00 C ATOM 549 CG1 VAL A 35 -2.510 5.164 0.914 1.00 0.00 C ATOM 550 CG2 VAL A 35 -3.175 7.425 1.738 1.00 0.00 C ATOM 0 H VAL A 35 -4.119 6.190 4.595 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.060 5.463 1.836 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.241 5.887 2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.562 5.571 0.561 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.375 4.119 1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.254 5.236 0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.228 7.832 1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.919 7.495 0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.514 7.994 2.604 1.00 0.00 H new ATOM 560 N PHE A 36 -4.621 3.018 2.213 1.00 0.00 N ATOM 561 CA PHE A 36 -4.454 1.571 2.528 1.00 0.00 C ATOM 562 C PHE A 36 -3.743 0.875 1.366 1.00 0.00 C ATOM 563 O PHE A 36 -3.923 1.224 0.216 1.00 0.00 O ATOM 564 CB PHE A 36 -5.827 0.934 2.743 1.00 0.00 C ATOM 565 CG PHE A 36 -6.461 1.509 3.986 1.00 0.00 C ATOM 566 CD1 PHE A 36 -6.216 0.922 5.232 1.00 0.00 C ATOM 567 CD2 PHE A 36 -7.295 2.630 3.893 1.00 0.00 C ATOM 568 CE1 PHE A 36 -6.802 1.455 6.386 1.00 0.00 C ATOM 569 CE2 PHE A 36 -7.881 3.163 5.046 1.00 0.00 C ATOM 570 CZ PHE A 36 -7.635 2.576 6.293 1.00 0.00 C ATOM 0 H PHE A 36 -5.132 3.220 1.354 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.859 1.463 3.435 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.464 1.119 1.878 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.727 -0.147 2.840 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.574 0.057 5.304 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.486 3.083 2.931 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.612 1.002 7.348 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -8.524 4.028 4.974 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.088 2.988 7.183 1.00 0.00 H new ATOM 580 N TYR A 37 -2.935 -0.108 1.657 1.00 0.00 N ATOM 581 CA TYR A 37 -2.214 -0.826 0.568 1.00 0.00 C ATOM 582 C TYR A 37 -2.674 -2.284 0.526 1.00 0.00 C ATOM 583 O TYR A 37 -3.066 -2.849 1.527 1.00 0.00 O ATOM 584 CB TYR A 37 -0.707 -0.771 0.833 1.00 0.00 C ATOM 585 CG TYR A 37 -0.184 0.599 0.479 1.00 0.00 C ATOM 586 CD1 TYR A 37 -0.418 1.681 1.334 1.00 0.00 C ATOM 587 CD2 TYR A 37 0.538 0.788 -0.706 1.00 0.00 C ATOM 588 CE1 TYR A 37 0.067 2.952 1.006 1.00 0.00 C ATOM 589 CE2 TYR A 37 1.026 2.059 -1.035 1.00 0.00 C ATOM 590 CZ TYR A 37 0.789 3.142 -0.179 1.00 0.00 C ATOM 591 OH TYR A 37 1.269 4.394 -0.503 1.00 0.00 O ATOM 0 H TYR A 37 -2.743 -0.445 2.601 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.432 -0.351 -0.388 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.503 -0.990 1.881 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.195 -1.531 0.243 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.974 1.535 2.249 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.719 -0.047 -1.367 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.115 3.787 1.667 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.585 2.204 -1.948 1.00 0.00 H new ATOM 0 HH TYR A 37 1.504 4.876 0.317 1.00 0.00 H new ATOM 601 N TYR A 38 -2.628 -2.897 -0.625 1.00 0.00 N ATOM 602 CA TYR A 38 -3.059 -4.319 -0.728 1.00 0.00 C ATOM 603 C TYR A 38 -1.941 -5.147 -1.366 1.00 0.00 C ATOM 604 O TYR A 38 -1.324 -4.737 -2.329 1.00 0.00 O ATOM 605 CB TYR A 38 -4.317 -4.409 -1.594 1.00 0.00 C ATOM 606 CG TYR A 38 -5.487 -3.817 -0.845 1.00 0.00 C ATOM 607 CD1 TYR A 38 -5.662 -2.429 -0.802 1.00 0.00 C ATOM 608 CD2 TYR A 38 -6.395 -4.659 -0.189 1.00 0.00 C ATOM 609 CE1 TYR A 38 -6.745 -1.881 -0.107 1.00 0.00 C ATOM 610 CE2 TYR A 38 -7.480 -4.110 0.507 1.00 0.00 C ATOM 611 CZ TYR A 38 -7.655 -2.721 0.548 1.00 0.00 C ATOM 612 OH TYR A 38 -8.724 -2.181 1.233 1.00 0.00 O ATOM 0 H TYR A 38 -2.311 -2.475 -1.498 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.274 -4.706 0.268 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.165 -3.875 -2.532 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.523 -5.449 -1.848 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.960 -1.781 -1.306 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.259 -5.730 -0.220 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.880 -0.810 -0.075 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.181 -4.758 1.012 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.012 -1.355 0.791 1.00 0.00 H new ATOM 622 N SER A 39 -1.675 -6.311 -0.835 1.00 0.00 N ATOM 623 CA SER A 39 -0.602 -7.166 -1.416 1.00 0.00 C ATOM 624 C SER A 39 -1.230 -8.214 -2.341 1.00 0.00 C ATOM 625 O SER A 39 -2.433 -8.273 -2.497 1.00 0.00 O ATOM 626 CB SER A 39 0.155 -7.869 -0.290 1.00 0.00 C ATOM 627 OG SER A 39 -0.216 -9.241 -0.259 1.00 0.00 O ATOM 0 H SER A 39 -2.154 -6.705 -0.025 1.00 0.00 H new ATOM 0 HA SER A 39 0.089 -6.545 -1.986 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.230 -7.775 -0.445 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.072 -7.397 0.666 1.00 0.00 H new ATOM 0 HG SER A 39 0.524 -9.772 0.103 1.00 0.00 H new ATOM 633 N PRO A 40 -0.412 -9.030 -2.945 1.00 0.00 N ATOM 634 CA PRO A 40 -0.878 -10.098 -3.877 1.00 0.00 C ATOM 635 C PRO A 40 -1.899 -11.033 -3.222 1.00 0.00 C ATOM 636 O PRO A 40 -2.764 -11.579 -3.876 1.00 0.00 O ATOM 637 CB PRO A 40 0.401 -10.862 -4.226 1.00 0.00 C ATOM 638 CG PRO A 40 1.520 -9.909 -3.961 1.00 0.00 C ATOM 639 CD PRO A 40 1.052 -9.024 -2.805 1.00 0.00 C ATOM 0 HA PRO A 40 -1.386 -9.682 -4.747 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.499 -11.761 -3.618 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.396 -11.181 -5.268 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.434 -10.443 -3.699 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.742 -9.312 -4.845 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.365 -9.423 -1.840 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.459 -8.016 -2.880 1.00 0.00 H new ATOM 647 N SER A 41 -1.803 -11.223 -1.934 1.00 0.00 N ATOM 648 CA SER A 41 -2.761 -12.129 -1.241 1.00 0.00 C ATOM 649 C SER A 41 -4.005 -11.339 -0.831 1.00 0.00 C ATOM 650 O SER A 41 -4.894 -11.855 -0.183 1.00 0.00 O ATOM 651 CB SER A 41 -2.097 -12.717 0.004 1.00 0.00 C ATOM 652 OG SER A 41 -1.817 -11.672 0.925 1.00 0.00 O ATOM 0 H SER A 41 -1.102 -10.790 -1.332 1.00 0.00 H new ATOM 0 HA SER A 41 -3.049 -12.936 -1.914 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.752 -13.457 0.464 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.176 -13.232 -0.270 1.00 0.00 H new ATOM 0 HG SER A 41 -1.198 -11.032 0.515 1.00 0.00 H new ATOM 658 N GLY A 42 -4.076 -10.090 -1.201 1.00 0.00 N ATOM 659 CA GLY A 42 -5.264 -9.270 -0.833 1.00 0.00 C ATOM 660 C GLY A 42 -5.157 -8.842 0.632 1.00 0.00 C ATOM 661 O GLY A 42 -6.126 -8.439 1.243 1.00 0.00 O ATOM 0 H GLY A 42 -3.362 -9.602 -1.742 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.326 -8.392 -1.476 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.177 -9.844 -0.989 1.00 0.00 H new ATOM 665 N LYS A 43 -3.986 -8.928 1.200 1.00 0.00 N ATOM 666 CA LYS A 43 -3.817 -8.526 2.625 1.00 0.00 C ATOM 667 C LYS A 43 -3.725 -7.001 2.718 1.00 0.00 C ATOM 668 O LYS A 43 -2.908 -6.379 2.069 1.00 0.00 O ATOM 669 CB LYS A 43 -2.537 -9.150 3.184 1.00 0.00 C ATOM 670 CG LYS A 43 -2.618 -9.204 4.711 1.00 0.00 C ATOM 671 CD LYS A 43 -1.951 -7.959 5.303 1.00 0.00 C ATOM 672 CE LYS A 43 -0.442 -8.184 5.397 1.00 0.00 C ATOM 673 NZ LYS A 43 -0.098 -8.689 6.756 1.00 0.00 N ATOM 0 H LYS A 43 -3.139 -9.259 0.739 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.673 -8.874 3.204 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.404 -10.154 2.781 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.670 -8.565 2.876 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.659 -9.257 5.029 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.126 -10.104 5.080 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.162 -7.090 4.680 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.360 -7.749 6.291 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.123 -8.900 4.640 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.088 -7.253 5.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.929 -8.842 6.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.389 -7.991 7.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.593 -9.587 6.928 1.00 0.00 H new ATOM 687 N LYS A 44 -4.558 -6.395 3.519 1.00 0.00 N ATOM 688 CA LYS A 44 -4.513 -4.912 3.655 1.00 0.00 C ATOM 689 C LYS A 44 -3.595 -4.534 4.820 1.00 0.00 C ATOM 690 O LYS A 44 -3.650 -5.121 5.881 1.00 0.00 O ATOM 691 CB LYS A 44 -5.922 -4.381 3.926 1.00 0.00 C ATOM 692 CG LYS A 44 -6.451 -4.975 5.232 1.00 0.00 C ATOM 693 CD LYS A 44 -7.896 -4.524 5.452 1.00 0.00 C ATOM 694 CE LYS A 44 -8.421 -5.113 6.763 1.00 0.00 C ATOM 695 NZ LYS A 44 -8.667 -6.573 6.587 1.00 0.00 N ATOM 0 H LYS A 44 -5.267 -6.862 4.084 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.130 -4.475 2.733 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.906 -3.293 3.990 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.585 -4.642 3.101 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.401 -6.063 5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.828 -4.655 6.067 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.948 -3.436 5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.520 -4.849 4.619 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.699 -4.949 7.563 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.343 -4.611 7.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.223 -6.931 7.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.192 -6.733 5.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.758 -7.076 6.545 1.00 0.00 H new ATOM 709 N PHE A 45 -2.750 -3.558 4.629 1.00 0.00 N ATOM 710 CA PHE A 45 -1.835 -3.140 5.727 1.00 0.00 C ATOM 711 C PHE A 45 -1.716 -1.614 5.737 1.00 0.00 C ATOM 712 O PHE A 45 -1.770 -0.971 4.709 1.00 0.00 O ATOM 713 CB PHE A 45 -0.453 -3.757 5.503 1.00 0.00 C ATOM 714 CG PHE A 45 -0.122 -3.732 4.031 1.00 0.00 C ATOM 715 CD1 PHE A 45 -0.756 -4.621 3.155 1.00 0.00 C ATOM 716 CD2 PHE A 45 0.819 -2.818 3.540 1.00 0.00 C ATOM 717 CE1 PHE A 45 -0.449 -4.598 1.789 1.00 0.00 C ATOM 718 CE2 PHE A 45 1.125 -2.795 2.175 1.00 0.00 C ATOM 719 CZ PHE A 45 0.492 -3.684 1.300 1.00 0.00 C ATOM 0 H PHE A 45 -2.654 -3.032 3.760 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.234 -3.481 6.682 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.299 -3.204 6.065 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.437 -4.782 5.873 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.482 -5.325 3.533 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.308 -2.131 4.215 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.938 -5.285 1.113 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.851 -2.090 1.797 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.729 -3.665 0.247 1.00 0.00 H new ATOM 729 N ARG A 46 -1.555 -1.030 6.893 1.00 0.00 N ATOM 730 CA ARG A 46 -1.417 0.452 6.967 1.00 0.00 C ATOM 731 C ARG A 46 -0.215 0.811 7.842 1.00 0.00 C ATOM 732 O ARG A 46 -0.343 1.487 8.844 1.00 0.00 O ATOM 733 CB ARG A 46 -2.687 1.052 7.573 1.00 0.00 C ATOM 734 CG ARG A 46 -2.706 2.563 7.328 1.00 0.00 C ATOM 735 CD ARG A 46 -3.520 3.248 8.426 1.00 0.00 C ATOM 736 NE ARG A 46 -4.933 2.776 8.367 1.00 0.00 N ATOM 737 CZ ARG A 46 -5.727 2.964 9.383 1.00 0.00 C ATOM 738 NH1 ARG A 46 -5.285 3.565 10.455 1.00 0.00 N ATOM 739 NH2 ARG A 46 -6.964 2.551 9.332 1.00 0.00 N ATOM 0 H ARG A 46 -1.513 -1.515 7.789 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.268 0.853 5.965 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.568 0.590 7.128 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.725 0.846 8.643 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.688 2.953 7.318 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.139 2.778 6.351 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.092 3.025 9.403 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.482 4.330 8.300 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.279 2.305 7.531 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.318 3.887 10.497 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.907 3.712 11.250 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.310 2.080 8.496 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.584 2.699 10.128 1.00 0.00 H new ATOM 753 N SER A 47 0.954 0.364 7.472 1.00 0.00 N ATOM 754 CA SER A 47 2.162 0.676 8.288 1.00 0.00 C ATOM 755 C SER A 47 3.418 0.471 7.437 1.00 0.00 C ATOM 756 O SER A 47 3.501 -0.446 6.645 1.00 0.00 O ATOM 757 CB SER A 47 2.211 -0.255 9.500 1.00 0.00 C ATOM 758 OG SER A 47 0.896 -0.694 9.810 1.00 0.00 O ATOM 0 H SER A 47 1.125 -0.203 6.641 1.00 0.00 H new ATOM 0 HA SER A 47 2.116 1.711 8.626 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.852 -1.111 9.289 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.644 0.265 10.355 1.00 0.00 H new ATOM 0 HG SER A 47 0.925 -1.292 10.586 1.00 0.00 H new ATOM 764 N LYS A 48 4.396 1.321 7.595 1.00 0.00 N ATOM 765 CA LYS A 48 5.639 1.184 6.784 1.00 0.00 C ATOM 766 C LYS A 48 6.411 -0.057 7.239 1.00 0.00 C ATOM 767 O LYS A 48 6.990 -0.766 6.441 1.00 0.00 O ATOM 768 CB LYS A 48 6.511 2.426 6.975 1.00 0.00 C ATOM 769 CG LYS A 48 7.856 2.218 6.275 1.00 0.00 C ATOM 770 CD LYS A 48 7.618 1.804 4.822 1.00 0.00 C ATOM 771 CE LYS A 48 8.856 2.133 3.987 1.00 0.00 C ATOM 772 NZ LYS A 48 9.077 3.607 3.986 1.00 0.00 N ATOM 0 H LYS A 48 4.388 2.103 8.250 1.00 0.00 H new ATOM 0 HA LYS A 48 5.377 1.082 5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.008 3.303 6.567 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.667 2.614 8.037 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.442 3.136 6.311 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.432 1.451 6.793 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.403 0.737 4.768 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.748 2.325 4.422 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.729 1.624 4.395 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.726 1.773 2.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.122 3.951 3.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.292 4.076 4.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.971 3.824 4.470 1.00 0.00 H new ATOM 786 N PRO A 49 6.415 -0.312 8.519 1.00 0.00 N ATOM 787 CA PRO A 49 7.115 -1.489 9.107 1.00 0.00 C ATOM 788 C PRO A 49 6.560 -2.816 8.580 1.00 0.00 C ATOM 789 O PRO A 49 7.294 -3.670 8.125 1.00 0.00 O ATOM 790 CB PRO A 49 6.853 -1.358 10.608 1.00 0.00 C ATOM 791 CG PRO A 49 6.459 0.065 10.822 1.00 0.00 C ATOM 792 CD PRO A 49 5.748 0.501 9.549 1.00 0.00 C ATOM 0 HA PRO A 49 8.174 -1.499 8.851 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.063 -2.036 10.929 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.743 -1.610 11.185 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.804 0.162 11.687 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.333 0.687 11.013 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.677 0.302 9.593 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.866 1.569 9.363 1.00 0.00 H new ATOM 800 N GLN A 50 5.268 -2.994 8.638 1.00 0.00 N ATOM 801 CA GLN A 50 4.667 -4.259 8.130 1.00 0.00 C ATOM 802 C GLN A 50 4.894 -4.361 6.620 1.00 0.00 C ATOM 803 O GLN A 50 5.094 -5.433 6.084 1.00 0.00 O ATOM 804 CB GLN A 50 3.165 -4.263 8.422 1.00 0.00 C ATOM 805 CG GLN A 50 2.937 -4.359 9.931 1.00 0.00 C ATOM 806 CD GLN A 50 1.441 -4.264 10.229 1.00 0.00 C ATOM 807 OE1 GLN A 50 0.630 -4.227 9.325 1.00 0.00 O ATOM 808 NE2 GLN A 50 1.037 -4.220 11.468 1.00 0.00 N ATOM 0 H GLN A 50 4.604 -2.318 9.015 1.00 0.00 H new ATOM 0 HA GLN A 50 5.136 -5.109 8.626 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.706 -3.355 8.032 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.688 -5.103 7.918 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.335 -5.300 10.310 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.472 -3.558 10.442 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.717 -4.251 12.228 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.041 -4.155 11.678 1.00 0.00 H new ATOM 817 N LEU A 51 4.867 -3.254 5.930 1.00 0.00 N ATOM 818 CA LEU A 51 5.076 -3.290 4.455 1.00 0.00 C ATOM 819 C LEU A 51 6.477 -3.826 4.153 1.00 0.00 C ATOM 820 O LEU A 51 6.652 -4.702 3.329 1.00 0.00 O ATOM 821 CB LEU A 51 4.937 -1.876 3.886 1.00 0.00 C ATOM 822 CG LEU A 51 4.665 -1.956 2.384 1.00 0.00 C ATOM 823 CD1 LEU A 51 4.111 -0.616 1.893 1.00 0.00 C ATOM 824 CD2 LEU A 51 5.969 -2.267 1.646 1.00 0.00 C ATOM 0 H LEU A 51 4.709 -2.326 6.324 1.00 0.00 H new ATOM 0 HA LEU A 51 4.331 -3.941 3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.124 -1.349 4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.848 -1.307 4.072 1.00 0.00 H new ATOM 0 HG LEU A 51 3.938 -2.744 2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.917 -0.673 0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.183 -0.392 2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.838 0.172 2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.776 -2.324 0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.695 -1.478 1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.366 -3.220 1.995 1.00 0.00 H new ATOM 836 N ALA A 52 7.476 -3.307 4.812 1.00 0.00 N ATOM 837 CA ALA A 52 8.865 -3.787 4.562 1.00 0.00 C ATOM 838 C ALA A 52 9.018 -5.210 5.106 1.00 0.00 C ATOM 839 O ALA A 52 9.610 -6.064 4.476 1.00 0.00 O ATOM 840 CB ALA A 52 9.859 -2.862 5.264 1.00 0.00 C ATOM 0 H ALA A 52 7.391 -2.571 5.513 1.00 0.00 H new ATOM 0 HA ALA A 52 9.063 -3.785 3.490 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.875 -3.213 5.081 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.750 -1.849 4.876 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.662 -2.863 6.336 1.00 0.00 H new ATOM 846 N ARG A 53 8.491 -5.468 6.271 1.00 0.00 N ATOM 847 CA ARG A 53 8.597 -6.839 6.847 1.00 0.00 C ATOM 848 C ARG A 53 7.947 -7.845 5.896 1.00 0.00 C ATOM 849 O ARG A 53 8.456 -8.926 5.677 1.00 0.00 O ATOM 850 CB ARG A 53 7.882 -6.879 8.200 1.00 0.00 C ATOM 851 CG ARG A 53 8.055 -8.264 8.828 1.00 0.00 C ATOM 852 CD ARG A 53 7.277 -8.328 10.143 1.00 0.00 C ATOM 853 NE ARG A 53 5.820 -8.200 9.866 1.00 0.00 N ATOM 854 CZ ARG A 53 5.005 -7.816 10.811 1.00 0.00 C ATOM 855 NH1 ARG A 53 5.469 -7.547 12.001 1.00 0.00 N ATOM 856 NH2 ARG A 53 3.729 -7.703 10.567 1.00 0.00 N ATOM 0 H ARG A 53 7.993 -4.791 6.848 1.00 0.00 H new ATOM 0 HA ARG A 53 9.648 -7.096 6.983 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.290 -6.115 8.861 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.823 -6.656 8.070 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.697 -9.033 8.143 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.111 -8.464 9.008 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.480 -9.270 10.652 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.603 -7.529 10.809 1.00 0.00 H new ATOM 0 HE ARG A 53 5.458 -8.413 8.936 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.467 -7.637 12.192 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.834 -7.247 12.740 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.367 -7.915 9.637 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.093 -7.403 11.306 1.00 0.00 H new ATOM 870 N TYR A 54 6.824 -7.499 5.329 1.00 0.00 N ATOM 871 CA TYR A 54 6.138 -8.439 4.398 1.00 0.00 C ATOM 872 C TYR A 54 7.063 -8.757 3.222 1.00 0.00 C ATOM 873 O TYR A 54 7.338 -9.904 2.928 1.00 0.00 O ATOM 874 CB TYR A 54 4.853 -7.794 3.876 1.00 0.00 C ATOM 875 CG TYR A 54 4.104 -8.785 3.019 1.00 0.00 C ATOM 876 CD1 TYR A 54 4.416 -8.911 1.660 1.00 0.00 C ATOM 877 CD2 TYR A 54 3.098 -9.579 3.582 1.00 0.00 C ATOM 878 CE1 TYR A 54 3.722 -9.832 0.865 1.00 0.00 C ATOM 879 CE2 TYR A 54 2.403 -10.497 2.788 1.00 0.00 C ATOM 880 CZ TYR A 54 2.715 -10.624 1.429 1.00 0.00 C ATOM 881 OH TYR A 54 2.031 -11.531 0.644 1.00 0.00 O ATOM 0 H TYR A 54 6.352 -6.606 5.470 1.00 0.00 H new ATOM 0 HA TYR A 54 5.893 -9.360 4.927 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.229 -7.474 4.711 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.091 -6.902 3.296 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.192 -8.298 1.225 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.858 -9.483 4.631 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.964 -9.931 -0.183 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.626 -11.108 3.223 1.00 0.00 H new ATOM 0 HH TYR A 54 1.366 -12.000 1.190 1.00 0.00 H new ATOM 891 N LEU A 55 7.545 -7.751 2.544 1.00 0.00 N ATOM 892 CA LEU A 55 8.455 -7.998 1.390 1.00 0.00 C ATOM 893 C LEU A 55 9.737 -8.667 1.886 1.00 0.00 C ATOM 894 O LEU A 55 10.247 -9.584 1.274 1.00 0.00 O ATOM 895 CB LEU A 55 8.800 -6.666 0.720 1.00 0.00 C ATOM 896 CG LEU A 55 7.638 -6.226 -0.170 1.00 0.00 C ATOM 897 CD1 LEU A 55 7.903 -4.812 -0.696 1.00 0.00 C ATOM 898 CD2 LEU A 55 7.508 -7.191 -1.351 1.00 0.00 C ATOM 0 H LEU A 55 7.348 -6.769 2.739 1.00 0.00 H new ATOM 0 HA LEU A 55 7.961 -8.650 0.670 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.000 -5.907 1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.708 -6.770 0.126 1.00 0.00 H new ATOM 0 HG LEU A 55 6.715 -6.231 0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.074 -4.499 -1.331 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.998 -4.123 0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.826 -4.806 -1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.680 -6.878 -1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.432 -7.185 -1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.320 -8.198 -0.979 1.00 0.00 H new ATOM 910 N GLY A 56 10.264 -8.216 2.991 1.00 0.00 N ATOM 911 CA GLY A 56 11.513 -8.828 3.526 1.00 0.00 C ATOM 912 C GLY A 56 12.700 -8.413 2.656 1.00 0.00 C ATOM 913 O GLY A 56 12.800 -7.282 2.223 1.00 0.00 O ATOM 0 H GLY A 56 9.884 -7.450 3.547 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.674 -8.509 4.556 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.421 -9.914 3.540 1.00 0.00 H new ATOM 917 N GLY A 57 13.602 -9.320 2.395 1.00 0.00 N ATOM 918 CA GLY A 57 14.783 -8.975 1.554 1.00 0.00 C ATOM 919 C GLY A 57 14.419 -9.119 0.076 1.00 0.00 C ATOM 920 O GLY A 57 15.230 -8.888 -0.798 1.00 0.00 O ATOM 0 H GLY A 57 13.572 -10.284 2.727 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.105 -7.955 1.762 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.620 -9.629 1.798 1.00 0.00 H new ATOM 924 N SER A 58 13.204 -9.501 -0.212 1.00 0.00 N ATOM 925 CA SER A 58 12.791 -9.665 -1.634 1.00 0.00 C ATOM 926 C SER A 58 12.788 -8.299 -2.324 1.00 0.00 C ATOM 927 O SER A 58 13.067 -8.187 -3.501 1.00 0.00 O ATOM 928 CB SER A 58 11.388 -10.269 -1.691 1.00 0.00 C ATOM 929 OG SER A 58 10.480 -9.414 -1.006 1.00 0.00 O ATOM 0 H SER A 58 12.480 -9.706 0.477 1.00 0.00 H new ATOM 0 HA SER A 58 13.492 -10.327 -2.142 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.076 -10.395 -2.728 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.387 -11.259 -1.236 1.00 0.00 H new ATOM 0 HG SER A 58 10.356 -9.736 -0.089 1.00 0.00 H new ATOM 935 N MET A 59 12.472 -7.259 -1.602 1.00 0.00 N ATOM 936 CA MET A 59 12.447 -5.904 -2.219 1.00 0.00 C ATOM 937 C MET A 59 12.930 -4.870 -1.199 1.00 0.00 C ATOM 938 O MET A 59 12.543 -4.894 -0.046 1.00 0.00 O ATOM 939 CB MET A 59 11.019 -5.564 -2.651 1.00 0.00 C ATOM 940 CG MET A 59 10.744 -6.173 -4.028 1.00 0.00 C ATOM 941 SD MET A 59 11.607 -5.210 -5.294 1.00 0.00 S ATOM 942 CE MET A 59 10.325 -3.957 -5.541 1.00 0.00 C ATOM 0 H MET A 59 12.230 -7.290 -0.612 1.00 0.00 H new ATOM 0 HA MET A 59 13.102 -5.891 -3.090 1.00 0.00 H new ATOM 0 HB2 MET A 59 10.306 -5.949 -1.922 1.00 0.00 H new ATOM 0 HB3 MET A 59 10.886 -4.483 -2.687 1.00 0.00 H new ATOM 0 HG2 MET A 59 11.079 -7.210 -4.053 1.00 0.00 H new ATOM 0 HG3 MET A 59 9.672 -6.179 -4.228 1.00 0.00 H new ATOM 0 HE1 MET A 59 10.788 -3.016 -5.836 1.00 0.00 H new ATOM 0 HE2 MET A 59 9.641 -4.286 -6.323 1.00 0.00 H new ATOM 0 HE3 MET A 59 9.773 -3.814 -4.612 1.00 0.00 H new ATOM 952 N ASP A 60 13.771 -3.963 -1.611 1.00 0.00 N ATOM 953 CA ASP A 60 14.265 -2.921 -0.668 1.00 0.00 C ATOM 954 C ASP A 60 13.379 -1.679 -0.768 1.00 0.00 C ATOM 955 O ASP A 60 13.363 -0.994 -1.774 1.00 0.00 O ATOM 956 CB ASP A 60 15.706 -2.550 -1.027 1.00 0.00 C ATOM 957 CG ASP A 60 15.773 -2.116 -2.492 1.00 0.00 C ATOM 958 OD1 ASP A 60 14.764 -2.232 -3.170 1.00 0.00 O ATOM 959 OD2 ASP A 60 16.829 -1.675 -2.912 1.00 0.00 O ATOM 0 H ASP A 60 14.138 -3.898 -2.561 1.00 0.00 H new ATOM 0 HA ASP A 60 14.232 -3.309 0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 60 16.056 -1.744 -0.382 1.00 0.00 H new ATOM 0 HB3 ASP A 60 16.364 -3.402 -0.859 1.00 0.00 H new ATOM 964 N LEU A 61 12.638 -1.381 0.263 1.00 0.00 N ATOM 965 CA LEU A 61 11.741 -0.192 0.219 1.00 0.00 C ATOM 966 C LEU A 61 12.168 0.810 1.293 1.00 0.00 C ATOM 967 O LEU A 61 11.446 1.732 1.618 1.00 0.00 O ATOM 968 CB LEU A 61 10.299 -0.633 0.479 1.00 0.00 C ATOM 969 CG LEU A 61 9.620 -0.967 -0.851 1.00 0.00 C ATOM 970 CD1 LEU A 61 10.398 -2.078 -1.558 1.00 0.00 C ATOM 971 CD2 LEU A 61 8.188 -1.439 -0.587 1.00 0.00 C ATOM 0 H LEU A 61 12.615 -1.910 1.135 1.00 0.00 H new ATOM 0 HA LEU A 61 11.808 0.277 -0.763 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.286 -1.504 1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.752 0.159 0.990 1.00 0.00 H new ATOM 0 HG LEU A 61 9.602 -0.078 -1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.914 -2.315 -2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.419 -1.745 -1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.417 -2.967 -0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.703 -1.677 -1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.208 -2.328 0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.631 -0.649 -0.083 1.00 0.00 H new ATOM 983 N SER A 62 13.338 0.640 1.846 1.00 0.00 N ATOM 984 CA SER A 62 13.812 1.586 2.895 1.00 0.00 C ATOM 985 C SER A 62 13.631 3.024 2.405 1.00 0.00 C ATOM 986 O SER A 62 13.337 3.919 3.171 1.00 0.00 O ATOM 987 CB SER A 62 15.291 1.328 3.183 1.00 0.00 C ATOM 988 OG SER A 62 16.045 1.541 1.998 1.00 0.00 O ATOM 0 H SER A 62 13.986 -0.113 1.616 1.00 0.00 H new ATOM 0 HA SER A 62 13.233 1.437 3.806 1.00 0.00 H new ATOM 0 HB2 SER A 62 15.640 1.992 3.974 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.431 0.307 3.538 1.00 0.00 H new ATOM 0 HG SER A 62 16.994 1.378 2.180 1.00 0.00 H new ATOM 994 N THR A 63 13.806 3.253 1.131 1.00 0.00 N ATOM 995 CA THR A 63 13.644 4.633 0.594 1.00 0.00 C ATOM 996 C THR A 63 12.267 4.766 -0.062 1.00 0.00 C ATOM 997 O THR A 63 12.106 5.440 -1.059 1.00 0.00 O ATOM 998 CB THR A 63 14.732 4.905 -0.447 1.00 0.00 C ATOM 999 OG1 THR A 63 14.710 3.882 -1.432 1.00 0.00 O ATOM 1000 CG2 THR A 63 16.100 4.931 0.238 1.00 0.00 C ATOM 0 H THR A 63 14.054 2.544 0.441 1.00 0.00 H new ATOM 0 HA THR A 63 13.731 5.353 1.408 1.00 0.00 H new ATOM 0 HB THR A 63 14.549 5.869 -0.922 1.00 0.00 H new ATOM 0 HG1 THR A 63 15.405 4.056 -2.100 1.00 0.00 H new ATOM 0 HG21 THR A 63 16.875 5.125 -0.504 1.00 0.00 H new ATOM 0 HG22 THR A 63 16.115 5.718 0.992 1.00 0.00 H new ATOM 0 HG23 THR A 63 16.287 3.969 0.715 1.00 0.00 H new ATOM 1008 N PHE A 64 11.273 4.128 0.492 1.00 0.00 N ATOM 1009 CA PHE A 64 9.909 4.214 -0.102 1.00 0.00 C ATOM 1010 C PHE A 64 9.031 5.120 0.764 1.00 0.00 C ATOM 1011 O PHE A 64 8.942 4.951 1.963 1.00 0.00 O ATOM 1012 CB PHE A 64 9.292 2.815 -0.168 1.00 0.00 C ATOM 1013 CG PHE A 64 7.857 2.918 -0.627 1.00 0.00 C ATOM 1014 CD1 PHE A 64 7.570 3.197 -1.970 1.00 0.00 C ATOM 1015 CD2 PHE A 64 6.813 2.739 0.289 1.00 0.00 C ATOM 1016 CE1 PHE A 64 6.240 3.292 -2.395 1.00 0.00 C ATOM 1017 CE2 PHE A 64 5.483 2.835 -0.137 1.00 0.00 C ATOM 1018 CZ PHE A 64 5.196 3.111 -1.480 1.00 0.00 C ATOM 0 H PHE A 64 11.346 3.551 1.330 1.00 0.00 H new ATOM 0 HA PHE A 64 9.976 4.629 -1.108 1.00 0.00 H new ATOM 0 HB2 PHE A 64 9.860 2.187 -0.855 1.00 0.00 H new ATOM 0 HB3 PHE A 64 9.338 2.339 0.811 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.375 3.339 -2.676 1.00 0.00 H new ATOM 0 HD2 PHE A 64 7.034 2.527 1.325 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.019 3.505 -3.430 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.678 2.696 0.570 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.170 3.184 -1.809 1.00 0.00 H new ATOM 1028 N ASP A 65 8.380 6.080 0.164 1.00 0.00 N ATOM 1029 CA ASP A 65 7.508 6.994 0.956 1.00 0.00 C ATOM 1030 C ASP A 65 6.114 6.379 1.090 1.00 0.00 C ATOM 1031 O ASP A 65 5.431 6.146 0.112 1.00 0.00 O ATOM 1032 CB ASP A 65 7.404 8.342 0.242 1.00 0.00 C ATOM 1033 CG ASP A 65 6.717 9.355 1.160 1.00 0.00 C ATOM 1034 OD1 ASP A 65 6.099 8.929 2.121 1.00 0.00 O ATOM 1035 OD2 ASP A 65 6.818 10.539 0.884 1.00 0.00 O ATOM 0 H ASP A 65 8.414 6.270 -0.837 1.00 0.00 H new ATOM 0 HA ASP A 65 7.938 7.139 1.947 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.397 8.698 -0.031 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.839 8.232 -0.684 1.00 0.00 H new ATOM 1040 N PHE A 66 5.686 6.112 2.294 1.00 0.00 N ATOM 1041 CA PHE A 66 4.340 5.502 2.488 1.00 0.00 C ATOM 1042 C PHE A 66 3.272 6.594 2.425 1.00 0.00 C ATOM 1043 O PHE A 66 2.194 6.392 1.897 1.00 0.00 O ATOM 1044 CB PHE A 66 4.287 4.814 3.854 1.00 0.00 C ATOM 1045 CG PHE A 66 2.967 4.095 4.002 1.00 0.00 C ATOM 1046 CD1 PHE A 66 2.827 2.783 3.533 1.00 0.00 C ATOM 1047 CD2 PHE A 66 1.883 4.739 4.611 1.00 0.00 C ATOM 1048 CE1 PHE A 66 1.604 2.117 3.671 1.00 0.00 C ATOM 1049 CE2 PHE A 66 0.659 4.073 4.749 1.00 0.00 C ATOM 1050 CZ PHE A 66 0.520 2.761 4.279 1.00 0.00 C ATOM 0 H PHE A 66 6.210 6.290 3.151 1.00 0.00 H new ATOM 0 HA PHE A 66 4.155 4.769 1.703 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.111 4.107 3.950 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.404 5.550 4.649 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.663 2.285 3.065 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.991 5.750 4.975 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.496 1.105 3.308 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.177 4.571 5.218 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.423 2.246 4.386 1.00 0.00 H new ATOM 1060 N ARG A 67 3.558 7.750 2.956 1.00 0.00 N ATOM 1061 CA ARG A 67 2.549 8.847 2.944 1.00 0.00 C ATOM 1062 C ARG A 67 2.254 9.254 1.497 1.00 0.00 C ATOM 1063 O ARG A 67 1.119 9.460 1.120 1.00 0.00 O ATOM 1064 CB ARG A 67 3.096 10.052 3.711 1.00 0.00 C ATOM 1065 CG ARG A 67 3.381 9.650 5.160 1.00 0.00 C ATOM 1066 CD ARG A 67 2.060 9.396 5.889 1.00 0.00 C ATOM 1067 NE ARG A 67 2.302 9.367 7.359 1.00 0.00 N ATOM 1068 CZ ARG A 67 1.624 8.548 8.115 1.00 0.00 C ATOM 1069 NH1 ARG A 67 0.734 7.756 7.585 1.00 0.00 N ATOM 1070 NH2 ARG A 67 1.835 8.523 9.403 1.00 0.00 N ATOM 0 H ARG A 67 4.447 7.983 3.398 1.00 0.00 H new ATOM 0 HA ARG A 67 1.631 8.501 3.418 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.008 10.414 3.237 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.376 10.870 3.684 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.000 8.753 5.185 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.941 10.438 5.664 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.341 10.177 5.643 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.628 8.450 5.562 1.00 0.00 H new ATOM 0 HE ARG A 67 2.997 9.987 7.774 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.568 7.777 6.579 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.204 7.116 8.177 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.530 9.144 9.818 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.305 7.883 9.994 1.00 0.00 H new ATOM 1084 N THR A 68 3.270 9.373 0.686 1.00 0.00 N ATOM 1085 CA THR A 68 3.047 9.767 -0.733 1.00 0.00 C ATOM 1086 C THR A 68 2.981 8.512 -1.607 1.00 0.00 C ATOM 1087 O THR A 68 2.466 8.537 -2.707 1.00 0.00 O ATOM 1088 CB THR A 68 4.201 10.655 -1.203 1.00 0.00 C ATOM 1089 OG1 THR A 68 5.411 9.909 -1.183 1.00 0.00 O ATOM 1090 CG2 THR A 68 4.329 11.863 -0.274 1.00 0.00 C ATOM 0 H THR A 68 4.244 9.214 0.945 1.00 0.00 H new ATOM 0 HA THR A 68 2.109 10.316 -0.814 1.00 0.00 H new ATOM 0 HB THR A 68 4.004 11.000 -2.218 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.170 10.512 -1.329 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.151 12.495 -0.610 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.401 12.435 -0.291 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.526 11.521 0.742 1.00 0.00 H new ATOM 1098 N GLY A 69 3.498 7.414 -1.126 1.00 0.00 N ATOM 1099 CA GLY A 69 3.443 6.155 -1.920 1.00 0.00 C ATOM 1100 C GLY A 69 4.330 6.292 -3.159 1.00 0.00 C ATOM 1101 O GLY A 69 3.898 6.071 -4.272 1.00 0.00 O ATOM 0 H GLY A 69 3.956 7.335 -0.218 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.777 5.314 -1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.416 5.945 -2.217 1.00 0.00 H new ATOM 1105 N LYS A 70 5.570 6.658 -2.975 1.00 0.00 N ATOM 1106 CA LYS A 70 6.488 6.794 -4.141 1.00 0.00 C ATOM 1107 C LYS A 70 7.921 6.495 -3.698 1.00 0.00 C ATOM 1108 O LYS A 70 8.283 6.695 -2.557 1.00 0.00 O ATOM 1109 CB LYS A 70 6.409 8.221 -4.687 1.00 0.00 C ATOM 1110 CG LYS A 70 7.142 9.173 -3.739 1.00 0.00 C ATOM 1111 CD LYS A 70 6.869 10.620 -4.155 1.00 0.00 C ATOM 1112 CE LYS A 70 7.622 10.929 -5.451 1.00 0.00 C ATOM 1113 NZ LYS A 70 7.643 12.402 -5.675 1.00 0.00 N ATOM 0 H LYS A 70 5.986 6.868 -2.068 1.00 0.00 H new ATOM 0 HA LYS A 70 6.195 6.090 -4.920 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.854 8.266 -5.681 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.367 8.525 -4.790 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.810 9.009 -2.714 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.213 8.973 -3.762 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.799 10.773 -4.298 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.186 11.302 -3.366 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.640 10.545 -5.393 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.141 10.429 -6.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.155 12.612 -6.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.668 12.756 -5.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.121 12.868 -4.877 1.00 0.00 H new ATOM 1127 N MET A 71 8.741 6.017 -4.594 1.00 0.00 N ATOM 1128 CA MET A 71 10.148 5.700 -4.223 1.00 0.00 C ATOM 1129 C MET A 71 11.048 6.888 -4.571 1.00 0.00 C ATOM 1130 O MET A 71 11.075 7.349 -5.696 1.00 0.00 O ATOM 1131 CB MET A 71 10.615 4.464 -4.995 1.00 0.00 C ATOM 1132 CG MET A 71 12.019 4.073 -4.533 1.00 0.00 C ATOM 1133 SD MET A 71 12.532 2.557 -5.377 1.00 0.00 S ATOM 1134 CE MET A 71 11.948 1.390 -4.122 1.00 0.00 C ATOM 0 H MET A 71 8.497 5.833 -5.567 1.00 0.00 H new ATOM 0 HA MET A 71 10.204 5.502 -3.153 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.924 3.637 -4.831 1.00 0.00 H new ATOM 0 HB3 MET A 71 10.617 4.670 -6.065 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.722 4.878 -4.749 1.00 0.00 H new ATOM 0 HG3 MET A 71 12.029 3.922 -3.454 1.00 0.00 H new ATOM 0 HE1 MET A 71 12.166 0.371 -4.443 1.00 0.00 H new ATOM 0 HE2 MET A 71 12.453 1.589 -3.177 1.00 0.00 H new ATOM 0 HE3 MET A 71 10.872 1.506 -3.990 1.00 0.00 H new ATOM 1144 N LEU A 72 11.781 7.390 -3.616 1.00 0.00 N ATOM 1145 CA LEU A 72 12.671 8.553 -3.891 1.00 0.00 C ATOM 1146 C LEU A 72 13.969 8.401 -3.096 1.00 0.00 C ATOM 1147 CB LEU A 72 11.964 9.845 -3.476 1.00 0.00 C ATOM 1148 CG LEU A 72 12.863 11.043 -3.790 1.00 0.00 C ATOM 1149 CD1 LEU A 72 13.117 11.107 -5.296 1.00 0.00 C ATOM 1150 CD2 LEU A 72 12.172 12.330 -3.335 1.00 0.00 C ATOM 0 H LEU A 72 11.802 7.045 -2.656 1.00 0.00 H new ATOM 0 HA LEU A 72 12.901 8.592 -4.956 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.016 9.940 -4.006 1.00 0.00 H new ATOM 0 HB3 LEU A 72 11.733 9.820 -2.411 1.00 0.00 H new ATOM 0 HG LEU A 72 13.812 10.934 -3.265 1.00 0.00 H new ATOM 0 HD11 LEU A 72 13.757 11.960 -5.521 1.00 0.00 H new ATOM 0 HD12 LEU A 72 13.607 10.189 -5.622 1.00 0.00 H new ATOM 0 HD13 LEU A 72 12.168 11.217 -5.821 1.00 0.00 H new ATOM 0 HD21 LEU A 72 12.811 13.184 -3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.224 12.439 -3.861 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.988 12.284 -2.262 1.00 0.00 H new