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 43 LYS NZ :NH3+ -170:sc=-0.00813 (180deg=0) USER MOD Set 1.2: A 50 GLN : amide:sc= -0.022 K(o=-0.03,f=-1.5!) USER MOD Single : A 6 LYS NZ :NH3+ 162:sc= 0.871 (180deg=0.172) USER MOD Single : A 10 CYS SG : rot 65:sc= -1.64 USER MOD Single : A 15 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.52) USER MOD Single : A 32 HIS : no HD1:sc= -0.537 X(o=-0.54,f=-0.1) USER MOD Single : A 37 TYR OH : rot 27:sc= -1.44! USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -56:sc= -0.339 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 22:sc= 0.398 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -150:sc= -1.23 USER MOD Single : A 59 MET CE :methyl -154:sc= -0.204 (180deg=-1.1) USER MOD Single : A 62 SER OG : rot 83:sc= 0.64 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0233 USER MOD Single : A 68 THR OG1 : rot -141:sc= -2.97! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 174:sc= 0 (180deg=-0.0317) USER MOD ----------------------------------------------------------------- ATOM 53 N ARG A 5 -12.933 6.226 -2.654 1.00 0.00 N ATOM 54 CA ARG A 5 -12.226 4.944 -2.934 1.00 0.00 C ATOM 55 C ARG A 5 -11.332 5.113 -4.165 1.00 0.00 C ATOM 56 O ARG A 5 -11.645 4.640 -5.240 1.00 0.00 O ATOM 57 CB ARG A 5 -13.254 3.841 -3.196 1.00 0.00 C ATOM 58 CG ARG A 5 -12.659 2.486 -2.805 1.00 0.00 C ATOM 59 CD ARG A 5 -12.907 2.232 -1.317 1.00 0.00 C ATOM 60 NE ARG A 5 -12.448 0.858 -0.966 1.00 0.00 N ATOM 61 CZ ARG A 5 -12.609 0.407 0.248 1.00 0.00 C ATOM 62 NH1 ARG A 5 -13.173 1.158 1.154 1.00 0.00 N ATOM 63 NH2 ARG A 5 -12.208 -0.796 0.556 1.00 0.00 N ATOM 0 HA ARG A 5 -11.613 4.672 -2.075 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -14.161 4.031 -2.623 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -13.537 3.836 -4.248 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.111 1.693 -3.401 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.589 2.472 -3.014 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -12.374 2.970 -0.717 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -13.967 2.342 -1.090 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.008 0.270 -1.674 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -13.488 2.098 0.913 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -13.299 0.805 2.103 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -11.769 -1.384 -0.152 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -12.334 -1.148 1.505 1.00 0.00 H new ATOM 77 N LYS A 6 -10.223 5.784 -4.017 1.00 0.00 N ATOM 78 CA LYS A 6 -9.315 5.989 -5.181 1.00 0.00 C ATOM 79 C LYS A 6 -8.488 4.722 -5.412 1.00 0.00 C ATOM 80 O LYS A 6 -8.482 3.817 -4.601 1.00 0.00 O ATOM 81 CB LYS A 6 -8.377 7.164 -4.896 1.00 0.00 C ATOM 82 CG LYS A 6 -9.177 8.468 -4.901 1.00 0.00 C ATOM 83 CD LYS A 6 -8.566 9.447 -3.896 1.00 0.00 C ATOM 84 CE LYS A 6 -8.963 10.877 -4.268 1.00 0.00 C ATOM 85 NZ LYS A 6 -8.657 11.789 -3.131 1.00 0.00 N ATOM 0 H LYS A 6 -9.906 6.199 -3.141 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.908 6.204 -6.070 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.889 7.028 -3.931 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.589 7.205 -5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.173 8.906 -5.899 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.218 8.269 -4.644 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.911 9.213 -2.889 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.480 9.349 -3.892 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.423 11.196 -5.159 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.026 10.920 -4.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.633 12.772 -3.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.392 11.693 -2.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.732 11.540 -2.726 1.00 0.00 H new ATOM 99 N ARG A 7 -7.791 4.651 -6.513 1.00 0.00 N ATOM 100 CA ARG A 7 -6.989 3.430 -6.807 1.00 0.00 C ATOM 101 C ARG A 7 -5.687 3.831 -7.504 1.00 0.00 C ATOM 102 O ARG A 7 -5.679 4.645 -8.406 1.00 0.00 O ATOM 103 CB ARG A 7 -7.791 2.502 -7.722 1.00 0.00 C ATOM 104 CG ARG A 7 -8.992 1.943 -6.956 1.00 0.00 C ATOM 105 CD ARG A 7 -9.821 1.052 -7.884 1.00 0.00 C ATOM 106 NE ARG A 7 -8.988 -0.092 -8.350 1.00 0.00 N ATOM 107 CZ ARG A 7 -8.906 -1.175 -7.627 1.00 0.00 C ATOM 108 NH1 ARG A 7 -9.554 -1.256 -6.497 1.00 0.00 N ATOM 109 NH2 ARG A 7 -8.176 -2.178 -8.034 1.00 0.00 N ATOM 0 H ARG A 7 -7.742 5.384 -7.220 1.00 0.00 H new ATOM 0 HA ARG A 7 -6.759 2.913 -5.875 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -8.130 3.047 -8.603 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.159 1.687 -8.074 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -8.652 1.370 -6.093 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -9.605 2.759 -6.575 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -10.703 0.684 -7.360 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -10.176 1.629 -8.738 1.00 0.00 H new ATOM 0 HE ARG A 7 -8.482 -0.029 -9.234 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.125 -0.473 -6.179 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -9.490 -2.103 -5.932 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -7.670 -2.115 -8.917 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.112 -3.025 -7.469 1.00 0.00 H new ATOM 123 N TRP A 8 -4.584 3.267 -7.092 1.00 0.00 N ATOM 124 CA TRP A 8 -3.285 3.615 -7.734 1.00 0.00 C ATOM 125 C TRP A 8 -2.281 2.487 -7.495 1.00 0.00 C ATOM 126 O TRP A 8 -2.081 2.045 -6.380 1.00 0.00 O ATOM 127 CB TRP A 8 -2.748 4.913 -7.129 1.00 0.00 C ATOM 128 CG TRP A 8 -3.553 6.068 -7.631 1.00 0.00 C ATOM 129 CD1 TRP A 8 -3.808 6.330 -8.934 1.00 0.00 C ATOM 130 CD2 TRP A 8 -4.214 7.117 -6.865 1.00 0.00 C ATOM 131 NE1 TRP A 8 -4.581 7.475 -9.017 1.00 0.00 N ATOM 132 CE2 TRP A 8 -4.859 7.996 -7.769 1.00 0.00 C ATOM 133 CE3 TRP A 8 -4.316 7.390 -5.489 1.00 0.00 C ATOM 134 CZ2 TRP A 8 -5.577 9.105 -7.323 1.00 0.00 C ATOM 135 CZ3 TRP A 8 -5.040 8.505 -5.038 1.00 0.00 C ATOM 136 CH2 TRP A 8 -5.669 9.362 -5.952 1.00 0.00 C ATOM 0 H TRP A 8 -4.527 2.581 -6.339 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.433 3.749 -8.806 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.797 4.867 -6.041 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.699 5.044 -7.395 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -3.464 5.742 -9.772 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -4.906 7.884 -9.893 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.835 6.738 -4.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -6.059 9.761 -8.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -5.113 8.704 -3.979 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -6.223 10.219 -5.598 1.00 0.00 H new ATOM 147 N GLU A 9 -1.647 2.013 -8.533 1.00 0.00 N ATOM 148 CA GLU A 9 -0.639 0.929 -8.360 1.00 0.00 C ATOM 149 C GLU A 9 0.725 1.544 -8.045 1.00 0.00 C ATOM 150 O GLU A 9 1.254 2.326 -8.808 1.00 0.00 O ATOM 151 CB GLU A 9 -0.546 0.111 -9.650 1.00 0.00 C ATOM 152 CG GLU A 9 0.442 -1.040 -9.455 1.00 0.00 C ATOM 153 CD GLU A 9 0.543 -1.853 -10.747 1.00 0.00 C ATOM 154 OE1 GLU A 9 0.701 -1.247 -11.793 1.00 0.00 O ATOM 155 OE2 GLU A 9 0.460 -3.068 -10.668 1.00 0.00 O ATOM 0 H GLU A 9 -1.784 2.330 -9.493 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.941 0.280 -7.538 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.528 -0.280 -9.917 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.222 0.747 -10.474 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.422 -0.649 -9.182 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.114 -1.680 -8.636 1.00 0.00 H new ATOM 162 N CYS A 10 1.299 1.194 -6.927 1.00 0.00 N ATOM 163 CA CYS A 10 2.623 1.769 -6.559 1.00 0.00 C ATOM 164 C CYS A 10 3.728 1.035 -7.322 1.00 0.00 C ATOM 165 O CYS A 10 3.851 -0.172 -7.243 1.00 0.00 O ATOM 166 CB CYS A 10 2.849 1.608 -5.053 1.00 0.00 C ATOM 167 SG CYS A 10 1.397 0.827 -4.307 1.00 0.00 S ATOM 0 H CYS A 10 0.909 0.535 -6.253 1.00 0.00 H new ATOM 0 HA CYS A 10 2.644 2.827 -6.818 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.736 1.002 -4.870 1.00 0.00 H new ATOM 0 HB3 CYS A 10 3.028 2.581 -4.595 1.00 0.00 H new ATOM 0 HG CYS A 10 1.269 -0.381 -4.769 1.00 0.00 H new ATOM 173 N PRO A 11 4.524 1.765 -8.055 1.00 0.00 N ATOM 174 CA PRO A 11 5.645 1.188 -8.850 1.00 0.00 C ATOM 175 C PRO A 11 6.801 0.714 -7.963 1.00 0.00 C ATOM 176 O PRO A 11 7.684 0.006 -8.403 1.00 0.00 O ATOM 177 CB PRO A 11 6.097 2.349 -9.739 1.00 0.00 C ATOM 178 CG PRO A 11 5.681 3.588 -9.015 1.00 0.00 C ATOM 179 CD PRO A 11 4.438 3.225 -8.204 1.00 0.00 C ATOM 0 HA PRO A 11 5.331 0.307 -9.410 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.176 2.328 -9.894 1.00 0.00 H new ATOM 0 HB3 PRO A 11 5.632 2.294 -10.723 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.479 3.942 -8.363 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.464 4.392 -9.718 1.00 0.00 H new ATOM 0 HD2 PRO A 11 4.433 3.725 -7.236 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.524 3.520 -8.720 1.00 0.00 H new ATOM 187 N ALA A 12 6.801 1.102 -6.716 1.00 0.00 N ATOM 188 CA ALA A 12 7.896 0.669 -5.803 1.00 0.00 C ATOM 189 C ALA A 12 7.592 -0.731 -5.268 1.00 0.00 C ATOM 190 O ALA A 12 8.448 -1.398 -4.721 1.00 0.00 O ATOM 191 CB ALA A 12 8.004 1.651 -4.634 1.00 0.00 C ATOM 0 H ALA A 12 6.091 1.699 -6.291 1.00 0.00 H new ATOM 0 HA ALA A 12 8.839 0.651 -6.350 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.805 1.335 -3.966 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.223 2.648 -5.016 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.061 1.670 -4.087 1.00 0.00 H new ATOM 197 N LEU A 13 6.377 -1.183 -5.418 1.00 0.00 N ATOM 198 CA LEU A 13 6.019 -2.541 -4.919 1.00 0.00 C ATOM 199 C LEU A 13 6.015 -3.528 -6.088 1.00 0.00 C ATOM 200 O LEU A 13 5.845 -3.150 -7.231 1.00 0.00 O ATOM 201 CB LEU A 13 4.629 -2.500 -4.282 1.00 0.00 C ATOM 202 CG LEU A 13 4.733 -1.942 -2.861 1.00 0.00 C ATOM 203 CD1 LEU A 13 5.617 -0.692 -2.868 1.00 0.00 C ATOM 204 CD2 LEU A 13 3.336 -1.575 -2.355 1.00 0.00 C ATOM 0 H LEU A 13 5.617 -0.670 -5.865 1.00 0.00 H new ATOM 0 HA LEU A 13 6.750 -2.860 -4.176 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.962 -1.879 -4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.198 -3.501 -4.260 1.00 0.00 H new ATOM 0 HG LEU A 13 5.172 -2.694 -2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.692 -0.294 -1.856 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.612 -0.952 -3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.178 0.061 -3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.409 -1.177 -1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.898 -0.822 -3.010 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.705 -2.464 -2.351 1.00 0.00 H new ATOM 216 N PRO A 14 6.200 -4.787 -5.799 1.00 0.00 N ATOM 217 CA PRO A 14 6.195 -5.863 -6.829 1.00 0.00 C ATOM 218 C PRO A 14 4.887 -5.894 -7.628 1.00 0.00 C ATOM 219 O PRO A 14 3.818 -5.678 -7.093 1.00 0.00 O ATOM 220 CB PRO A 14 6.354 -7.149 -6.018 1.00 0.00 C ATOM 221 CG PRO A 14 6.942 -6.727 -4.712 1.00 0.00 C ATOM 222 CD PRO A 14 6.436 -5.320 -4.448 1.00 0.00 C ATOM 0 HA PRO A 14 6.982 -5.716 -7.569 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.393 -7.644 -5.874 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.004 -7.858 -6.530 1.00 0.00 H new ATOM 0 HG2 PRO A 14 6.640 -7.404 -3.913 1.00 0.00 H new ATOM 0 HG3 PRO A 14 8.031 -6.747 -4.752 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.523 -5.326 -3.853 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.168 -4.725 -3.903 1.00 0.00 H new ATOM 230 N GLN A 15 4.966 -6.159 -8.902 1.00 0.00 N ATOM 231 CA GLN A 15 3.728 -6.209 -9.731 1.00 0.00 C ATOM 232 C GLN A 15 2.674 -7.060 -9.020 1.00 0.00 C ATOM 233 O GLN A 15 2.933 -8.175 -8.612 1.00 0.00 O ATOM 234 CB GLN A 15 4.051 -6.831 -11.092 1.00 0.00 C ATOM 235 CG GLN A 15 5.055 -5.945 -11.832 1.00 0.00 C ATOM 236 CD GLN A 15 4.421 -4.583 -12.116 1.00 0.00 C ATOM 237 OE1 GLN A 15 3.312 -4.505 -12.608 1.00 0.00 O ATOM 238 NE2 GLN A 15 5.083 -3.495 -11.826 1.00 0.00 N ATOM 0 H GLN A 15 5.834 -6.343 -9.406 1.00 0.00 H new ATOM 0 HA GLN A 15 3.345 -5.199 -9.874 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.462 -7.832 -10.958 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.140 -6.937 -11.681 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.957 -5.820 -11.233 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.356 -6.420 -12.766 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.014 -3.559 -11.413 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.669 -2.581 -12.012 1.00 0.00 H new ATOM 247 N GLY A 16 1.485 -6.543 -8.867 1.00 0.00 N ATOM 248 CA GLY A 16 0.418 -7.319 -8.175 1.00 0.00 C ATOM 249 C GLY A 16 -0.018 -6.576 -6.910 1.00 0.00 C ATOM 250 O GLY A 16 -1.071 -6.833 -6.361 1.00 0.00 O ATOM 0 H GLY A 16 1.207 -5.617 -9.191 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.435 -7.457 -8.840 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.786 -8.312 -7.917 1.00 0.00 H new ATOM 254 N TRP A 17 0.783 -5.657 -6.446 1.00 0.00 N ATOM 255 CA TRP A 17 0.412 -4.897 -5.219 1.00 0.00 C ATOM 256 C TRP A 17 -0.334 -3.620 -5.616 1.00 0.00 C ATOM 257 O TRP A 17 -0.130 -3.078 -6.684 1.00 0.00 O ATOM 258 CB TRP A 17 1.678 -4.529 -4.446 1.00 0.00 C ATOM 259 CG TRP A 17 2.272 -5.763 -3.846 1.00 0.00 C ATOM 260 CD1 TRP A 17 2.692 -6.840 -4.547 1.00 0.00 C ATOM 261 CD2 TRP A 17 2.518 -6.064 -2.442 1.00 0.00 C ATOM 262 NE1 TRP A 17 3.180 -7.785 -3.661 1.00 0.00 N ATOM 263 CE2 TRP A 17 3.094 -7.353 -2.353 1.00 0.00 C ATOM 264 CE3 TRP A 17 2.299 -5.352 -1.249 1.00 0.00 C ATOM 265 CZ2 TRP A 17 3.441 -7.915 -1.124 1.00 0.00 C ATOM 266 CZ3 TRP A 17 2.648 -5.915 -0.010 1.00 0.00 C ATOM 267 CH2 TRP A 17 3.217 -7.194 0.052 1.00 0.00 C ATOM 0 H TRP A 17 1.678 -5.399 -6.863 1.00 0.00 H new ATOM 0 HA TRP A 17 -0.231 -5.513 -4.590 1.00 0.00 H new ATOM 0 HB2 TRP A 17 2.398 -4.053 -5.112 1.00 0.00 H new ATOM 0 HB3 TRP A 17 1.442 -3.808 -3.663 1.00 0.00 H new ATOM 0 HD1 TRP A 17 2.653 -6.946 -5.621 1.00 0.00 H new ATOM 0 HE1 TRP A 17 3.557 -8.690 -3.941 1.00 0.00 H new ATOM 0 HE3 TRP A 17 1.860 -4.366 -1.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 3.880 -8.901 -1.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.477 -5.359 0.900 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.482 -7.622 1.007 1.00 0.00 H new ATOM 278 N GLU A 18 -1.197 -3.136 -4.765 1.00 0.00 N ATOM 279 CA GLU A 18 -1.951 -1.894 -5.093 1.00 0.00 C ATOM 280 C GLU A 18 -2.300 -1.152 -3.801 1.00 0.00 C ATOM 281 O GLU A 18 -2.221 -1.700 -2.719 1.00 0.00 O ATOM 282 CB GLU A 18 -3.239 -2.261 -5.834 1.00 0.00 C ATOM 283 CG GLU A 18 -2.894 -2.776 -7.234 1.00 0.00 C ATOM 284 CD GLU A 18 -4.183 -3.087 -7.995 1.00 0.00 C ATOM 285 OE1 GLU A 18 -5.247 -2.869 -7.436 1.00 0.00 O ATOM 286 OE2 GLU A 18 -4.088 -3.539 -9.124 1.00 0.00 O ATOM 0 H GLU A 18 -1.412 -3.547 -3.857 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.337 -1.253 -5.725 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.786 -3.023 -5.279 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.891 -1.390 -5.906 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.311 -2.030 -7.774 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.277 -3.671 -7.162 1.00 0.00 H new ATOM 293 N ARG A 19 -2.686 0.090 -3.905 1.00 0.00 N ATOM 294 CA ARG A 19 -3.054 0.862 -2.686 1.00 0.00 C ATOM 295 C ARG A 19 -4.236 1.779 -3.000 1.00 0.00 C ATOM 296 O ARG A 19 -4.395 2.244 -4.111 1.00 0.00 O ATOM 297 CB ARG A 19 -1.857 1.706 -2.238 1.00 0.00 C ATOM 298 CG ARG A 19 -1.622 2.833 -3.243 1.00 0.00 C ATOM 299 CD ARG A 19 -0.366 3.614 -2.851 1.00 0.00 C ATOM 300 NE ARG A 19 -0.217 4.797 -3.745 1.00 0.00 N ATOM 301 CZ ARG A 19 0.303 4.654 -4.934 1.00 0.00 C ATOM 302 NH1 ARG A 19 0.689 3.476 -5.341 1.00 0.00 N ATOM 303 NH2 ARG A 19 0.434 5.691 -5.716 1.00 0.00 N ATOM 0 H ARG A 19 -2.762 0.604 -4.783 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.332 0.173 -1.889 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.042 2.121 -1.247 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.967 1.082 -2.161 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.509 2.422 -4.246 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.485 3.499 -3.267 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.435 3.936 -1.812 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.512 2.973 -2.928 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.521 5.718 -3.428 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.585 2.666 -4.730 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.095 3.365 -6.270 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.130 6.611 -5.398 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.840 5.581 -6.645 1.00 0.00 H new ATOM 317 N GLU A 20 -5.067 2.045 -2.029 1.00 0.00 N ATOM 318 CA GLU A 20 -6.242 2.927 -2.277 1.00 0.00 C ATOM 319 C GLU A 20 -6.224 4.093 -1.286 1.00 0.00 C ATOM 320 O GLU A 20 -5.548 4.055 -0.279 1.00 0.00 O ATOM 321 CB GLU A 20 -7.531 2.122 -2.094 1.00 0.00 C ATOM 322 CG GLU A 20 -7.612 1.035 -3.166 1.00 0.00 C ATOM 323 CD GLU A 20 -8.915 0.250 -3.003 1.00 0.00 C ATOM 324 OE1 GLU A 20 -9.689 0.601 -2.126 1.00 0.00 O ATOM 325 OE2 GLU A 20 -9.119 -0.686 -3.758 1.00 0.00 O ATOM 0 H GLU A 20 -4.983 1.690 -1.076 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.197 3.315 -3.295 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.553 1.671 -1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.396 2.781 -2.164 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.568 1.484 -4.158 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.758 0.363 -3.082 1.00 0.00 H new ATOM 332 N GLU A 21 -6.965 5.131 -1.567 1.00 0.00 N ATOM 333 CA GLU A 21 -6.991 6.299 -0.641 1.00 0.00 C ATOM 334 C GLU A 21 -8.408 6.482 -0.094 1.00 0.00 C ATOM 335 O GLU A 21 -9.378 6.410 -0.821 1.00 0.00 O ATOM 336 CB GLU A 21 -6.570 7.560 -1.400 1.00 0.00 C ATOM 337 CG GLU A 21 -6.358 8.707 -0.408 1.00 0.00 C ATOM 338 CD GLU A 21 -5.861 9.943 -1.158 1.00 0.00 C ATOM 339 OE1 GLU A 21 -6.649 10.533 -1.879 1.00 0.00 O ATOM 340 OE2 GLU A 21 -4.700 10.281 -0.998 1.00 0.00 O ATOM 0 H GLU A 21 -7.552 5.220 -2.396 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.302 6.125 0.185 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.652 7.372 -1.957 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.335 7.831 -2.128 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.291 8.932 0.109 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.635 8.415 0.353 1.00 0.00 H new ATOM 347 N VAL A 22 -8.535 6.719 1.184 1.00 0.00 N ATOM 348 CA VAL A 22 -9.891 6.909 1.772 1.00 0.00 C ATOM 349 C VAL A 22 -9.900 8.168 2.642 1.00 0.00 C ATOM 350 O VAL A 22 -9.227 8.240 3.653 1.00 0.00 O ATOM 351 CB VAL A 22 -10.249 5.694 2.631 1.00 0.00 C ATOM 352 CG1 VAL A 22 -11.742 5.725 2.961 1.00 0.00 C ATOM 353 CG2 VAL A 22 -9.924 4.414 1.860 1.00 0.00 C ATOM 0 H VAL A 22 -7.760 6.789 1.844 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.622 7.017 0.970 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.672 5.719 3.556 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.997 4.860 3.573 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.975 6.638 3.509 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.319 5.699 2.037 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.178 3.547 2.470 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.502 4.389 0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.860 4.392 1.624 1.00 0.00 H new ATOM 363 N PRO A 23 -10.662 9.151 2.250 1.00 0.00 N ATOM 364 CA PRO A 23 -10.760 10.442 2.986 1.00 0.00 C ATOM 365 C PRO A 23 -11.624 10.324 4.246 1.00 0.00 C ATOM 366 O PRO A 23 -12.625 9.638 4.262 1.00 0.00 O ATOM 367 CB PRO A 23 -11.416 11.385 1.977 1.00 0.00 C ATOM 368 CG PRO A 23 -12.218 10.504 1.075 1.00 0.00 C ATOM 369 CD PRO A 23 -11.517 9.137 1.052 1.00 0.00 C ATOM 0 HA PRO A 23 -9.786 10.786 3.335 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.050 12.117 2.478 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.667 11.944 1.416 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -13.241 10.408 1.438 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.274 10.927 0.072 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.237 8.319 1.086 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.928 9.006 0.144 1.00 0.00 H new ATOM 377 N ARG A 24 -11.241 10.988 5.303 1.00 0.00 N ATOM 378 CA ARG A 24 -12.044 10.917 6.556 1.00 0.00 C ATOM 379 C ARG A 24 -13.212 11.902 6.473 1.00 0.00 C ATOM 380 O ARG A 24 -13.170 12.867 5.737 1.00 0.00 O ATOM 381 CB ARG A 24 -11.157 11.278 7.750 1.00 0.00 C ATOM 382 CG ARG A 24 -10.160 10.145 8.006 1.00 0.00 C ATOM 383 CD ARG A 24 -10.819 9.069 8.871 1.00 0.00 C ATOM 384 NE ARG A 24 -9.807 8.039 9.238 1.00 0.00 N ATOM 385 CZ ARG A 24 -10.178 6.805 9.447 1.00 0.00 C ATOM 386 NH1 ARG A 24 -11.436 6.474 9.333 1.00 0.00 N ATOM 387 NH2 ARG A 24 -9.293 5.903 9.770 1.00 0.00 N ATOM 0 H ARG A 24 -10.408 11.575 5.353 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.431 9.906 6.682 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.624 12.208 7.553 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.771 11.444 8.636 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.832 9.715 7.060 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.272 10.534 8.505 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.240 9.518 9.771 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.644 8.607 8.329 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.824 8.298 9.326 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.128 7.179 9.081 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.727 5.510 9.496 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.310 6.162 9.859 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.584 4.939 9.933 1.00 0.00 H new ATOM 490 N HIS A 32 -7.712 14.568 6.354 1.00 0.00 N ATOM 491 CA HIS A 32 -6.710 13.473 6.478 1.00 0.00 C ATOM 492 C HIS A 32 -7.111 12.310 5.566 1.00 0.00 C ATOM 493 O HIS A 32 -8.188 11.761 5.682 1.00 0.00 O ATOM 494 CB HIS A 32 -6.658 12.988 7.928 1.00 0.00 C ATOM 495 CG HIS A 32 -6.204 14.114 8.816 1.00 0.00 C ATOM 496 ND1 HIS A 32 -5.949 13.933 10.169 1.00 0.00 N ATOM 497 CD2 HIS A 32 -5.954 15.440 8.562 1.00 0.00 C ATOM 498 CE1 HIS A 32 -5.565 15.120 10.672 1.00 0.00 C ATOM 499 NE2 HIS A 32 -5.552 16.069 9.734 1.00 0.00 N ATOM 0 HA HIS A 32 -5.728 13.845 6.185 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -7.641 12.637 8.241 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -5.975 12.143 8.016 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.054 15.920 7.600 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.300 15.284 11.706 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -5.300 17.050 9.852 1.00 0.00 H new ATOM 508 N ARG A 33 -6.251 11.932 4.660 1.00 0.00 N ATOM 509 CA ARG A 33 -6.587 10.812 3.737 1.00 0.00 C ATOM 510 C ARG A 33 -5.749 9.584 4.098 1.00 0.00 C ATOM 511 O ARG A 33 -4.545 9.571 3.927 1.00 0.00 O ATOM 512 CB ARG A 33 -6.286 11.229 2.296 1.00 0.00 C ATOM 513 CG ARG A 33 -7.203 12.388 1.899 1.00 0.00 C ATOM 514 CD ARG A 33 -6.851 12.855 0.485 1.00 0.00 C ATOM 515 NE ARG A 33 -7.721 14.005 0.111 1.00 0.00 N ATOM 516 CZ ARG A 33 -7.724 14.450 -1.115 1.00 0.00 C ATOM 517 NH1 ARG A 33 -6.963 13.888 -2.015 1.00 0.00 N ATOM 518 NH2 ARG A 33 -8.485 15.457 -1.443 1.00 0.00 N ATOM 0 H ARG A 33 -5.331 12.350 4.519 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.646 10.570 3.831 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.242 11.529 2.203 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.436 10.385 1.623 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.245 12.072 1.940 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.092 13.212 2.604 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.802 13.148 0.438 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.986 12.038 -0.224 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.315 14.445 0.814 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.366 13.101 -1.759 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.965 14.236 -2.974 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.079 15.898 -0.740 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.486 15.804 -2.402 1.00 0.00 H new ATOM 532 N ASP A 34 -6.374 8.552 4.595 1.00 0.00 N ATOM 533 CA ASP A 34 -5.614 7.319 4.947 1.00 0.00 C ATOM 534 C ASP A 34 -5.454 6.446 3.700 1.00 0.00 C ATOM 535 O ASP A 34 -6.365 6.303 2.909 1.00 0.00 O ATOM 536 CB ASP A 34 -6.376 6.540 6.020 1.00 0.00 C ATOM 537 CG ASP A 34 -6.173 7.211 7.380 1.00 0.00 C ATOM 538 OD1 ASP A 34 -5.270 8.024 7.488 1.00 0.00 O ATOM 539 OD2 ASP A 34 -6.926 6.901 8.289 1.00 0.00 O ATOM 0 H ASP A 34 -7.378 8.509 4.773 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.630 7.594 5.327 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.437 6.506 5.774 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.024 5.509 6.055 1.00 0.00 H new ATOM 544 N VAL A 35 -4.301 5.862 3.519 1.00 0.00 N ATOM 545 CA VAL A 35 -4.083 5.002 2.322 1.00 0.00 C ATOM 546 C VAL A 35 -3.889 3.550 2.766 1.00 0.00 C ATOM 547 O VAL A 35 -3.081 3.257 3.626 1.00 0.00 O ATOM 548 CB VAL A 35 -2.837 5.477 1.573 1.00 0.00 C ATOM 549 CG1 VAL A 35 -2.428 4.424 0.540 1.00 0.00 C ATOM 550 CG2 VAL A 35 -3.143 6.796 0.860 1.00 0.00 C ATOM 0 H VAL A 35 -3.502 5.943 4.147 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.950 5.068 1.664 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.023 5.626 2.282 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.540 4.763 0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.210 3.483 1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.242 4.275 -0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.255 7.135 0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.958 6.646 0.152 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.434 7.547 1.594 1.00 0.00 H new ATOM 560 N PHE A 36 -4.622 2.641 2.187 1.00 0.00 N ATOM 561 CA PHE A 36 -4.471 1.208 2.572 1.00 0.00 C ATOM 562 C PHE A 36 -3.721 0.460 1.467 1.00 0.00 C ATOM 563 O PHE A 36 -3.904 0.719 0.294 1.00 0.00 O ATOM 564 CB PHE A 36 -5.855 0.583 2.762 1.00 0.00 C ATOM 565 CG PHE A 36 -6.463 1.089 4.048 1.00 0.00 C ATOM 566 CD1 PHE A 36 -7.110 2.331 4.075 1.00 0.00 C ATOM 567 CD2 PHE A 36 -6.378 0.318 5.214 1.00 0.00 C ATOM 568 CE1 PHE A 36 -7.674 2.800 5.267 1.00 0.00 C ATOM 569 CE2 PHE A 36 -6.942 0.788 6.405 1.00 0.00 C ATOM 570 CZ PHE A 36 -7.590 2.028 6.432 1.00 0.00 C ATOM 0 H PHE A 36 -5.318 2.826 1.465 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.910 1.139 3.504 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.498 0.835 1.919 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.775 -0.504 2.788 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.174 2.927 3.176 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.877 -0.639 5.194 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.174 3.757 5.288 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.877 0.193 7.304 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.025 2.390 7.352 1.00 0.00 H new ATOM 580 N TYR A 37 -2.878 -0.467 1.833 1.00 0.00 N ATOM 581 CA TYR A 37 -2.108 -1.221 0.805 1.00 0.00 C ATOM 582 C TYR A 37 -2.619 -2.661 0.741 1.00 0.00 C ATOM 583 O TYR A 37 -2.991 -3.244 1.739 1.00 0.00 O ATOM 584 CB TYR A 37 -0.623 -1.222 1.179 1.00 0.00 C ATOM 585 CG TYR A 37 -0.048 0.155 0.950 1.00 0.00 C ATOM 586 CD1 TYR A 37 -0.224 1.156 1.911 1.00 0.00 C ATOM 587 CD2 TYR A 37 0.663 0.431 -0.225 1.00 0.00 C ATOM 588 CE1 TYR A 37 0.310 2.433 1.699 1.00 0.00 C ATOM 589 CE2 TYR A 37 1.197 1.706 -0.437 1.00 0.00 C ATOM 590 CZ TYR A 37 1.021 2.709 0.525 1.00 0.00 C ATOM 591 OH TYR A 37 1.547 3.967 0.314 1.00 0.00 O ATOM 0 H TYR A 37 -2.690 -0.734 2.799 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.237 -0.746 -0.168 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.500 -1.511 2.223 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.086 -1.957 0.579 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.772 0.944 2.817 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.799 -0.341 -0.968 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.173 3.205 2.441 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.745 1.918 -1.343 1.00 0.00 H new ATOM 0 HH TYR A 37 1.726 4.396 1.177 1.00 0.00 H new ATOM 601 N TYR A 38 -2.640 -3.240 -0.429 1.00 0.00 N ATOM 602 CA TYR A 38 -3.138 -4.639 -0.559 1.00 0.00 C ATOM 603 C TYR A 38 -2.104 -5.483 -1.308 1.00 0.00 C ATOM 604 O TYR A 38 -1.473 -5.025 -2.241 1.00 0.00 O ATOM 605 CB TYR A 38 -4.457 -4.640 -1.335 1.00 0.00 C ATOM 606 CG TYR A 38 -5.429 -3.693 -0.675 1.00 0.00 C ATOM 607 CD1 TYR A 38 -6.252 -4.146 0.364 1.00 0.00 C ATOM 608 CD2 TYR A 38 -5.509 -2.362 -1.102 1.00 0.00 C ATOM 609 CE1 TYR A 38 -7.154 -3.267 0.976 1.00 0.00 C ATOM 610 CE2 TYR A 38 -6.411 -1.484 -0.490 1.00 0.00 C ATOM 611 CZ TYR A 38 -7.234 -1.937 0.548 1.00 0.00 C ATOM 612 OH TYR A 38 -8.124 -1.070 1.152 1.00 0.00 O ATOM 0 H TYR A 38 -2.334 -2.805 -1.299 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.299 -5.061 0.433 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.284 -4.339 -2.368 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.875 -5.646 -1.362 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.191 -5.173 0.693 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.875 -2.013 -1.903 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.788 -3.615 1.778 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.472 -0.457 -0.819 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.052 -0.185 0.737 1.00 0.00 H new ATOM 622 N SER A 39 -1.925 -6.712 -0.908 1.00 0.00 N ATOM 623 CA SER A 39 -0.941 -7.587 -1.604 1.00 0.00 C ATOM 624 C SER A 39 -1.677 -8.511 -2.576 1.00 0.00 C ATOM 625 O SER A 39 -2.889 -8.505 -2.652 1.00 0.00 O ATOM 626 CB SER A 39 -0.186 -8.426 -0.573 1.00 0.00 C ATOM 627 OG SER A 39 -0.435 -7.907 0.727 1.00 0.00 O ATOM 0 H SER A 39 -2.418 -7.148 -0.129 1.00 0.00 H new ATOM 0 HA SER A 39 -0.233 -6.969 -2.157 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.506 -9.467 -0.629 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.883 -8.409 -0.785 1.00 0.00 H new ATOM 0 HG SER A 39 -0.181 -6.961 0.756 1.00 0.00 H new ATOM 633 N PRO A 40 -0.941 -9.302 -3.309 1.00 0.00 N ATOM 634 CA PRO A 40 -1.518 -10.239 -4.314 1.00 0.00 C ATOM 635 C PRO A 40 -2.559 -11.180 -3.701 1.00 0.00 C ATOM 636 O PRO A 40 -3.541 -11.529 -4.326 1.00 0.00 O ATOM 637 CB PRO A 40 -0.308 -11.034 -4.810 1.00 0.00 C ATOM 638 CG PRO A 40 0.879 -10.172 -4.524 1.00 0.00 C ATOM 639 CD PRO A 40 0.526 -9.384 -3.258 1.00 0.00 C ATOM 0 HA PRO A 40 -2.044 -9.706 -5.106 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.230 -11.992 -4.296 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.389 -11.249 -5.875 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.774 -10.776 -4.372 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.085 -9.501 -5.358 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.869 -9.894 -2.358 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.984 -8.395 -3.259 1.00 0.00 H new ATOM 647 N SER A 41 -2.353 -11.592 -2.479 1.00 0.00 N ATOM 648 CA SER A 41 -3.331 -12.508 -1.827 1.00 0.00 C ATOM 649 C SER A 41 -4.519 -11.698 -1.305 1.00 0.00 C ATOM 650 O SER A 41 -5.484 -12.246 -0.807 1.00 0.00 O ATOM 651 CB SER A 41 -2.653 -13.229 -0.661 1.00 0.00 C ATOM 652 OG SER A 41 -1.577 -14.015 -1.156 1.00 0.00 O ATOM 0 H SER A 41 -1.550 -11.334 -1.905 1.00 0.00 H new ATOM 0 HA SER A 41 -3.683 -13.241 -2.553 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.285 -12.504 0.065 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.373 -13.862 -0.142 1.00 0.00 H new ATOM 0 HG SER A 41 -1.139 -14.477 -0.411 1.00 0.00 H new ATOM 658 N GLY A 42 -4.461 -10.400 -1.417 1.00 0.00 N ATOM 659 CA GLY A 42 -5.591 -9.559 -0.932 1.00 0.00 C ATOM 660 C GLY A 42 -5.365 -9.198 0.539 1.00 0.00 C ATOM 661 O GLY A 42 -6.268 -8.771 1.229 1.00 0.00 O ATOM 0 H GLY A 42 -3.680 -9.885 -1.823 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.667 -8.652 -1.532 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.533 -10.096 -1.045 1.00 0.00 H new ATOM 665 N LYS A 43 -4.164 -9.367 1.023 1.00 0.00 N ATOM 666 CA LYS A 43 -3.882 -9.035 2.447 1.00 0.00 C ATOM 667 C LYS A 43 -4.012 -7.524 2.654 1.00 0.00 C ATOM 668 O LYS A 43 -3.339 -6.741 2.012 1.00 0.00 O ATOM 669 CB LYS A 43 -2.463 -9.479 2.803 1.00 0.00 C ATOM 670 CG LYS A 43 -2.151 -9.087 4.249 1.00 0.00 C ATOM 671 CD LYS A 43 -0.716 -9.491 4.591 1.00 0.00 C ATOM 672 CE LYS A 43 -0.339 -8.928 5.961 1.00 0.00 C ATOM 673 NZ LYS A 43 0.984 -9.472 6.377 1.00 0.00 N ATOM 0 H LYS A 43 -3.367 -9.720 0.493 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.595 -9.552 3.089 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.367 -10.558 2.679 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.745 -9.015 2.127 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.278 -8.013 4.381 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.849 -9.576 4.928 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.624 -10.577 4.595 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.031 -9.116 3.831 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.299 -7.839 5.920 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.100 -9.192 6.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.163 -9.228 7.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.983 -10.506 6.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.731 -9.062 5.780 1.00 0.00 H new ATOM 687 N LYS A 44 -4.870 -7.108 3.544 1.00 0.00 N ATOM 688 CA LYS A 44 -5.029 -5.650 3.800 1.00 0.00 C ATOM 689 C LYS A 44 -4.134 -5.237 4.971 1.00 0.00 C ATOM 690 O LYS A 44 -4.233 -5.770 6.057 1.00 0.00 O ATOM 691 CB LYS A 44 -6.490 -5.348 4.146 1.00 0.00 C ATOM 692 CG LYS A 44 -6.644 -3.860 4.463 1.00 0.00 C ATOM 693 CD LYS A 44 -8.113 -3.550 4.760 1.00 0.00 C ATOM 694 CE LYS A 44 -8.272 -2.055 5.039 1.00 0.00 C ATOM 695 NZ LYS A 44 -9.715 -1.737 5.238 1.00 0.00 N ATOM 0 H LYS A 44 -5.468 -7.715 4.105 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.743 -5.092 2.908 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.136 -5.621 3.312 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.803 -5.947 5.001 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.025 -3.594 5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.298 -3.260 3.621 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.735 -3.841 3.914 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.452 -4.129 5.619 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.702 -1.777 5.925 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.872 -1.475 4.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.823 -0.720 5.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.247 -1.988 4.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.082 -2.281 6.045 1.00 0.00 H new ATOM 709 N PHE A 45 -3.260 -4.291 4.756 1.00 0.00 N ATOM 710 CA PHE A 45 -2.358 -3.846 5.856 1.00 0.00 C ATOM 711 C PHE A 45 -2.189 -2.328 5.792 1.00 0.00 C ATOM 712 O PHE A 45 -2.221 -1.733 4.734 1.00 0.00 O ATOM 713 CB PHE A 45 -0.993 -4.519 5.698 1.00 0.00 C ATOM 714 CG PHE A 45 -0.580 -4.487 4.246 1.00 0.00 C ATOM 715 CD1 PHE A 45 -1.236 -5.298 3.312 1.00 0.00 C ATOM 716 CD2 PHE A 45 0.460 -3.645 3.833 1.00 0.00 C ATOM 717 CE1 PHE A 45 -0.852 -5.267 1.967 1.00 0.00 C ATOM 718 CE2 PHE A 45 0.843 -3.613 2.487 1.00 0.00 C ATOM 719 CZ PHE A 45 0.187 -4.425 1.554 1.00 0.00 C ATOM 0 H PHE A 45 -3.132 -3.808 3.867 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.791 -4.123 6.817 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.250 -4.007 6.310 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.041 -5.549 6.051 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.038 -5.947 3.630 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.967 -3.020 4.553 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.358 -5.893 1.247 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.644 -2.962 2.168 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.483 -4.402 0.516 1.00 0.00 H new ATOM 729 N ARG A 46 -2.008 -1.694 6.919 1.00 0.00 N ATOM 730 CA ARG A 46 -1.836 -0.214 6.923 1.00 0.00 C ATOM 731 C ARG A 46 -0.659 0.161 7.825 1.00 0.00 C ATOM 732 O ARG A 46 -0.825 0.797 8.846 1.00 0.00 O ATOM 733 CB ARG A 46 -3.113 0.447 7.449 1.00 0.00 C ATOM 734 CG ARG A 46 -3.056 1.952 7.183 1.00 0.00 C ATOM 735 CD ARG A 46 -4.253 2.633 7.847 1.00 0.00 C ATOM 736 NE ARG A 46 -4.092 2.588 9.327 1.00 0.00 N ATOM 737 CZ ARG A 46 -3.410 3.518 9.938 1.00 0.00 C ATOM 738 NH1 ARG A 46 -2.866 4.485 9.252 1.00 0.00 N ATOM 739 NH2 ARG A 46 -3.268 3.477 11.235 1.00 0.00 N ATOM 0 H ARG A 46 -1.972 -2.138 7.837 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.640 0.131 5.908 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.987 0.014 6.962 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.218 0.260 8.518 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.126 2.366 7.573 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.065 2.143 6.110 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.330 3.667 7.510 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.177 2.133 7.556 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.515 1.830 9.863 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.974 4.514 8.238 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.333 5.212 9.729 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.690 2.718 11.771 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.735 4.204 11.713 1.00 0.00 H new ATOM 753 N SER A 47 0.531 -0.230 7.457 1.00 0.00 N ATOM 754 CA SER A 47 1.718 0.110 8.292 1.00 0.00 C ATOM 755 C SER A 47 2.951 0.239 7.396 1.00 0.00 C ATOM 756 O SER A 47 3.236 -0.622 6.588 1.00 0.00 O ATOM 757 CB SER A 47 1.949 -0.997 9.321 1.00 0.00 C ATOM 758 OG SER A 47 1.097 -0.784 10.439 1.00 0.00 O ATOM 0 H SER A 47 0.732 -0.770 6.615 1.00 0.00 H new ATOM 0 HA SER A 47 1.543 1.055 8.807 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.747 -1.971 8.876 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.991 -1.002 9.639 1.00 0.00 H new ATOM 0 HG SER A 47 0.342 -0.219 10.172 1.00 0.00 H new ATOM 764 N LYS A 48 3.686 1.309 7.534 1.00 0.00 N ATOM 765 CA LYS A 48 4.898 1.494 6.688 1.00 0.00 C ATOM 766 C LYS A 48 5.904 0.379 6.986 1.00 0.00 C ATOM 767 O LYS A 48 6.353 -0.316 6.099 1.00 0.00 O ATOM 768 CB LYS A 48 5.533 2.851 6.997 1.00 0.00 C ATOM 769 CG LYS A 48 7.041 2.779 6.746 1.00 0.00 C ATOM 770 CD LYS A 48 7.605 4.194 6.606 1.00 0.00 C ATOM 771 CE LYS A 48 9.124 4.127 6.454 1.00 0.00 C ATOM 772 NZ LYS A 48 9.620 5.391 5.842 1.00 0.00 N ATOM 0 H LYS A 48 3.499 2.062 8.196 1.00 0.00 H new ATOM 0 HA LYS A 48 4.616 1.456 5.636 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.086 3.624 6.372 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.339 3.127 8.033 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.533 2.260 7.569 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.243 2.205 5.842 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.164 4.688 5.740 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.343 4.789 7.481 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.591 3.974 7.427 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.400 3.276 5.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.654 5.344 5.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.184 5.518 4.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.369 6.194 6.453 1.00 0.00 H new ATOM 786 N PRO A 49 6.249 0.217 8.235 1.00 0.00 N ATOM 787 CA PRO A 49 7.218 -0.826 8.676 1.00 0.00 C ATOM 788 C PRO A 49 6.772 -2.236 8.277 1.00 0.00 C ATOM 789 O PRO A 49 7.573 -3.067 7.897 1.00 0.00 O ATOM 790 CB PRO A 49 7.240 -0.684 10.198 1.00 0.00 C ATOM 791 CG PRO A 49 6.011 0.091 10.545 1.00 0.00 C ATOM 792 CD PRO A 49 5.749 1.017 9.364 1.00 0.00 C ATOM 0 HA PRO A 49 8.195 -0.691 8.213 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.238 -1.660 10.683 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.139 -0.164 10.531 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.165 -0.575 10.713 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.156 0.661 11.463 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.691 1.255 9.259 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.281 1.964 9.461 1.00 0.00 H new ATOM 800 N GLN A 50 5.499 -2.511 8.362 1.00 0.00 N ATOM 801 CA GLN A 50 5.004 -3.865 7.984 1.00 0.00 C ATOM 802 C GLN A 50 5.225 -4.090 6.487 1.00 0.00 C ATOM 803 O GLN A 50 5.595 -5.165 6.060 1.00 0.00 O ATOM 804 CB GLN A 50 3.509 -3.967 8.299 1.00 0.00 C ATOM 805 CG GLN A 50 3.047 -5.414 8.118 1.00 0.00 C ATOM 806 CD GLN A 50 1.586 -5.542 8.556 1.00 0.00 C ATOM 807 OE1 GLN A 50 1.091 -4.724 9.305 1.00 0.00 O ATOM 808 NE2 GLN A 50 0.871 -6.542 8.117 1.00 0.00 N ATOM 0 H GLN A 50 4.781 -1.858 8.676 1.00 0.00 H new ATOM 0 HA GLN A 50 5.548 -4.622 8.549 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.319 -3.638 9.321 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.942 -3.308 7.641 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.153 -5.713 7.075 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.674 -6.084 8.707 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.287 -7.229 7.488 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.104 -6.636 8.403 1.00 0.00 H new ATOM 817 N LEU A 51 5.003 -3.084 5.687 1.00 0.00 N ATOM 818 CA LEU A 51 5.205 -3.240 4.219 1.00 0.00 C ATOM 819 C LEU A 51 6.698 -3.388 3.921 1.00 0.00 C ATOM 820 O LEU A 51 7.102 -4.186 3.100 1.00 0.00 O ATOM 821 CB LEU A 51 4.660 -2.007 3.494 1.00 0.00 C ATOM 822 CG LEU A 51 4.406 -2.349 2.026 1.00 0.00 C ATOM 823 CD1 LEU A 51 3.599 -1.225 1.372 1.00 0.00 C ATOM 824 CD2 LEU A 51 5.745 -2.501 1.301 1.00 0.00 C ATOM 0 H LEU A 51 4.690 -2.160 5.986 1.00 0.00 H new ATOM 0 HA LEU A 51 4.676 -4.128 3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.736 -1.674 3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.371 -1.184 3.569 1.00 0.00 H new ATOM 0 HG LEU A 51 3.847 -3.283 1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.418 -1.469 0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.646 -1.113 1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.158 -0.291 1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.566 -2.745 0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.302 -1.566 1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.322 -3.300 1.766 1.00 0.00 H new ATOM 836 N ALA A 52 7.523 -2.623 4.583 1.00 0.00 N ATOM 837 CA ALA A 52 8.989 -2.718 4.337 1.00 0.00 C ATOM 838 C ALA A 52 9.480 -4.118 4.714 1.00 0.00 C ATOM 839 O ALA A 52 10.263 -4.722 4.009 1.00 0.00 O ATOM 840 CB ALA A 52 9.719 -1.676 5.187 1.00 0.00 C ATOM 0 H ALA A 52 7.244 -1.936 5.284 1.00 0.00 H new ATOM 0 HA ALA A 52 9.192 -2.533 3.282 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.792 -1.746 5.007 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.370 -0.679 4.919 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.516 -1.860 6.242 1.00 0.00 H new ATOM 846 N ARG A 53 9.025 -4.637 5.821 1.00 0.00 N ATOM 847 CA ARG A 53 9.457 -6.001 6.236 1.00 0.00 C ATOM 848 C ARG A 53 9.067 -7.012 5.153 1.00 0.00 C ATOM 849 O ARG A 53 9.830 -7.893 4.811 1.00 0.00 O ATOM 850 CB ARG A 53 8.773 -6.376 7.553 1.00 0.00 C ATOM 851 CG ARG A 53 9.443 -5.628 8.707 1.00 0.00 C ATOM 852 CD ARG A 53 8.902 -6.153 10.037 1.00 0.00 C ATOM 853 NE ARG A 53 7.490 -5.706 10.210 1.00 0.00 N ATOM 854 CZ ARG A 53 7.234 -4.544 10.744 1.00 0.00 C ATOM 855 NH1 ARG A 53 8.213 -3.772 11.128 1.00 0.00 N ATOM 856 NH2 ARG A 53 5.997 -4.153 10.895 1.00 0.00 N ATOM 0 H ARG A 53 8.373 -4.176 6.456 1.00 0.00 H new ATOM 0 HA ARG A 53 10.538 -6.013 6.372 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.713 -6.125 7.509 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.839 -7.452 7.716 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.524 -5.763 8.663 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.252 -4.558 8.621 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.956 -7.241 10.059 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.514 -5.787 10.861 1.00 0.00 H new ATOM 0 HE ARG A 53 6.724 -6.309 9.911 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.179 -4.077 11.011 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.012 -2.863 11.546 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.231 -4.756 10.595 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.797 -3.244 11.313 1.00 0.00 H new ATOM 870 N TYR A 54 7.885 -6.890 4.615 1.00 0.00 N ATOM 871 CA TYR A 54 7.456 -7.831 3.543 1.00 0.00 C ATOM 872 C TYR A 54 8.419 -7.729 2.358 1.00 0.00 C ATOM 873 O TYR A 54 8.920 -8.720 1.865 1.00 0.00 O ATOM 874 CB TYR A 54 6.043 -7.471 3.083 1.00 0.00 C ATOM 875 CG TYR A 54 5.400 -8.676 2.438 1.00 0.00 C ATOM 876 CD1 TYR A 54 5.914 -9.188 1.242 1.00 0.00 C ATOM 877 CD2 TYR A 54 4.288 -9.282 3.037 1.00 0.00 C ATOM 878 CE1 TYR A 54 5.320 -10.305 0.644 1.00 0.00 C ATOM 879 CE2 TYR A 54 3.693 -10.398 2.439 1.00 0.00 C ATOM 880 CZ TYR A 54 4.207 -10.910 1.243 1.00 0.00 C ATOM 881 OH TYR A 54 3.620 -12.011 0.654 1.00 0.00 O ATOM 0 H TYR A 54 7.199 -6.180 4.871 1.00 0.00 H new ATOM 0 HA TYR A 54 7.463 -8.850 3.931 1.00 0.00 H new ATOM 0 HB2 TYR A 54 5.446 -7.138 3.932 1.00 0.00 H new ATOM 0 HB3 TYR A 54 6.080 -6.643 2.375 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.771 -8.720 0.779 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.890 -8.888 3.960 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.719 -10.700 -0.278 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.836 -10.865 2.901 1.00 0.00 H new ATOM 0 HH TYR A 54 2.861 -12.308 1.199 1.00 0.00 H new ATOM 891 N LEU A 55 8.683 -6.537 1.896 1.00 0.00 N ATOM 892 CA LEU A 55 9.640 -6.369 0.768 1.00 0.00 C ATOM 893 C LEU A 55 11.067 -6.293 1.316 1.00 0.00 C ATOM 894 O LEU A 55 12.021 -6.161 0.576 1.00 0.00 O ATOM 895 CB LEU A 55 9.316 -5.079 0.011 1.00 0.00 C ATOM 896 CG LEU A 55 8.387 -5.396 -1.162 1.00 0.00 C ATOM 897 CD1 LEU A 55 9.162 -6.157 -2.238 1.00 0.00 C ATOM 898 CD2 LEU A 55 7.222 -6.257 -0.668 1.00 0.00 C ATOM 0 H LEU A 55 8.276 -5.672 2.252 1.00 0.00 H new ATOM 0 HA LEU A 55 9.555 -7.219 0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.842 -4.361 0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.234 -4.618 -0.353 1.00 0.00 H new ATOM 0 HG LEU A 55 8.002 -4.467 -1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.499 -6.382 -3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.993 -5.545 -2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.547 -7.087 -1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.558 -6.484 -1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.608 -7.186 -0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.668 -5.715 0.099 1.00 0.00 H new ATOM 910 N GLY A 56 11.219 -6.379 2.610 1.00 0.00 N ATOM 911 CA GLY A 56 12.585 -6.311 3.205 1.00 0.00 C ATOM 912 C GLY A 56 13.425 -7.482 2.691 1.00 0.00 C ATOM 913 O GLY A 56 13.348 -8.583 3.198 1.00 0.00 O ATOM 0 H GLY A 56 10.458 -6.493 3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.061 -5.366 2.943 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.521 -6.345 4.293 1.00 0.00 H new ATOM 917 N GLY A 57 14.228 -7.254 1.688 1.00 0.00 N ATOM 918 CA GLY A 57 15.072 -8.354 1.144 1.00 0.00 C ATOM 919 C GLY A 57 14.956 -8.383 -0.381 1.00 0.00 C ATOM 920 O GLY A 57 15.916 -8.160 -1.091 1.00 0.00 O ATOM 0 H GLY A 57 14.336 -6.353 1.222 1.00 0.00 H new ATOM 0 HA2 GLY A 57 16.112 -8.207 1.437 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.755 -9.310 1.561 1.00 0.00 H new ATOM 924 N SER A 58 13.786 -8.654 -0.892 1.00 0.00 N ATOM 925 CA SER A 58 13.609 -8.695 -2.370 1.00 0.00 C ATOM 926 C SER A 58 13.722 -7.280 -2.939 1.00 0.00 C ATOM 927 O SER A 58 14.052 -7.088 -4.092 1.00 0.00 O ATOM 928 CB SER A 58 12.232 -9.272 -2.704 1.00 0.00 C ATOM 929 OG SER A 58 11.230 -8.470 -2.095 1.00 0.00 O ATOM 0 H SER A 58 12.945 -8.849 -0.349 1.00 0.00 H new ATOM 0 HA SER A 58 14.383 -9.325 -2.810 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.087 -9.298 -3.784 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.159 -10.300 -2.348 1.00 0.00 H new ATOM 0 HG SER A 58 10.451 -9.025 -1.882 1.00 0.00 H new ATOM 935 N MET A 59 13.449 -6.286 -2.139 1.00 0.00 N ATOM 936 CA MET A 59 13.535 -4.884 -2.637 1.00 0.00 C ATOM 937 C MET A 59 13.683 -3.929 -1.450 1.00 0.00 C ATOM 938 O MET A 59 13.193 -4.189 -0.368 1.00 0.00 O ATOM 939 CB MET A 59 12.263 -4.540 -3.414 1.00 0.00 C ATOM 940 CG MET A 59 12.427 -3.173 -4.082 1.00 0.00 C ATOM 941 SD MET A 59 10.865 -2.692 -4.861 1.00 0.00 S ATOM 942 CE MET A 59 10.842 -3.975 -6.135 1.00 0.00 C ATOM 0 H MET A 59 13.170 -6.384 -1.163 1.00 0.00 H new ATOM 0 HA MET A 59 14.399 -4.784 -3.293 1.00 0.00 H new ATOM 0 HB2 MET A 59 12.066 -5.303 -4.167 1.00 0.00 H new ATOM 0 HB3 MET A 59 11.405 -4.527 -2.741 1.00 0.00 H new ATOM 0 HG2 MET A 59 12.722 -2.428 -3.343 1.00 0.00 H new ATOM 0 HG3 MET A 59 13.221 -3.214 -4.828 1.00 0.00 H new ATOM 0 HE1 MET A 59 10.259 -3.629 -6.989 1.00 0.00 H new ATOM 0 HE2 MET A 59 11.862 -4.189 -6.454 1.00 0.00 H new ATOM 0 HE3 MET A 59 10.391 -4.881 -5.731 1.00 0.00 H new ATOM 952 N ASP A 60 14.352 -2.826 -1.642 1.00 0.00 N ATOM 953 CA ASP A 60 14.523 -1.853 -0.527 1.00 0.00 C ATOM 954 C ASP A 60 13.439 -0.777 -0.619 1.00 0.00 C ATOM 955 O ASP A 60 13.373 -0.030 -1.573 1.00 0.00 O ATOM 956 CB ASP A 60 15.901 -1.200 -0.627 1.00 0.00 C ATOM 957 CG ASP A 60 16.188 -0.412 0.653 1.00 0.00 C ATOM 958 OD1 ASP A 60 15.241 -0.098 1.355 1.00 0.00 O ATOM 959 OD2 ASP A 60 17.348 -0.135 0.908 1.00 0.00 O ATOM 0 H ASP A 60 14.788 -2.556 -2.524 1.00 0.00 H new ATOM 0 HA ASP A 60 14.437 -2.374 0.427 1.00 0.00 H new ATOM 0 HB2 ASP A 60 16.666 -1.962 -0.777 1.00 0.00 H new ATOM 0 HB3 ASP A 60 15.939 -0.537 -1.491 1.00 0.00 H new ATOM 964 N LEU A 61 12.590 -0.693 0.369 1.00 0.00 N ATOM 965 CA LEU A 61 11.503 0.326 0.331 1.00 0.00 C ATOM 966 C LEU A 61 11.735 1.359 1.435 1.00 0.00 C ATOM 967 O LEU A 61 10.885 2.179 1.719 1.00 0.00 O ATOM 968 CB LEU A 61 10.153 -0.360 0.550 1.00 0.00 C ATOM 969 CG LEU A 61 9.595 -0.830 -0.794 1.00 0.00 C ATOM 970 CD1 LEU A 61 10.587 -1.794 -1.449 1.00 0.00 C ATOM 971 CD2 LEU A 61 8.263 -1.547 -0.570 1.00 0.00 C ATOM 0 H LEU A 61 12.602 -1.285 1.200 1.00 0.00 H new ATOM 0 HA LEU A 61 11.504 0.823 -0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.270 -1.209 1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.455 0.330 1.024 1.00 0.00 H new ATOM 0 HG LEU A 61 9.440 0.031 -1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.190 -2.129 -2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.538 -1.285 -1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.741 -2.655 -0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.865 -1.882 -1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.418 -2.408 0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.555 -0.862 -0.102 1.00 0.00 H new ATOM 983 N SER A 62 12.879 1.326 2.061 1.00 0.00 N ATOM 984 CA SER A 62 13.167 2.311 3.143 1.00 0.00 C ATOM 985 C SER A 62 12.916 3.727 2.623 1.00 0.00 C ATOM 986 O SER A 62 12.431 4.584 3.336 1.00 0.00 O ATOM 987 CB SER A 62 14.627 2.178 3.578 1.00 0.00 C ATOM 988 OG SER A 62 14.862 0.853 4.036 1.00 0.00 O ATOM 0 H SER A 62 13.627 0.660 1.870 1.00 0.00 H new ATOM 0 HA SER A 62 12.515 2.116 3.995 1.00 0.00 H new ATOM 0 HB2 SER A 62 15.289 2.410 2.744 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.849 2.893 4.370 1.00 0.00 H new ATOM 0 HG SER A 62 15.032 0.267 3.269 1.00 0.00 H new ATOM 994 N THR A 63 13.241 3.982 1.386 1.00 0.00 N ATOM 995 CA THR A 63 13.011 5.341 0.819 1.00 0.00 C ATOM 996 C THR A 63 11.642 5.385 0.139 1.00 0.00 C ATOM 997 O THR A 63 11.368 6.247 -0.671 1.00 0.00 O ATOM 998 CB THR A 63 14.101 5.654 -0.210 1.00 0.00 C ATOM 999 OG1 THR A 63 14.255 4.549 -1.088 1.00 0.00 O ATOM 1000 CG2 THR A 63 15.424 5.923 0.512 1.00 0.00 C ATOM 0 H THR A 63 13.656 3.308 0.743 1.00 0.00 H new ATOM 0 HA THR A 63 13.043 6.079 1.620 1.00 0.00 H new ATOM 0 HB THR A 63 13.816 6.536 -0.784 1.00 0.00 H new ATOM 0 HG1 THR A 63 14.951 4.750 -1.748 1.00 0.00 H new ATOM 0 HG21 THR A 63 16.200 6.146 -0.221 1.00 0.00 H new ATOM 0 HG22 THR A 63 15.305 6.773 1.184 1.00 0.00 H new ATOM 0 HG23 THR A 63 15.710 5.042 1.087 1.00 0.00 H new ATOM 1008 N PHE A 64 10.778 4.462 0.462 1.00 0.00 N ATOM 1009 CA PHE A 64 9.424 4.456 -0.160 1.00 0.00 C ATOM 1010 C PHE A 64 8.462 5.270 0.709 1.00 0.00 C ATOM 1011 O PHE A 64 8.409 5.108 1.912 1.00 0.00 O ATOM 1012 CB PHE A 64 8.919 3.018 -0.271 1.00 0.00 C ATOM 1013 CG PHE A 64 7.545 3.013 -0.896 1.00 0.00 C ATOM 1014 CD1 PHE A 64 7.382 3.396 -2.232 1.00 0.00 C ATOM 1015 CD2 PHE A 64 6.432 2.625 -0.139 1.00 0.00 C ATOM 1016 CE1 PHE A 64 6.107 3.392 -2.812 1.00 0.00 C ATOM 1017 CE2 PHE A 64 5.158 2.621 -0.718 1.00 0.00 C ATOM 1018 CZ PHE A 64 4.996 3.005 -2.055 1.00 0.00 C ATOM 0 H PHE A 64 10.952 3.711 1.130 1.00 0.00 H new ATOM 0 HA PHE A 64 9.479 4.898 -1.155 1.00 0.00 H new ATOM 0 HB2 PHE A 64 9.607 2.426 -0.874 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.883 2.557 0.716 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.240 3.695 -2.816 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.557 2.329 0.892 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.982 3.688 -3.843 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.300 2.322 -0.134 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.013 3.002 -2.502 1.00 0.00 H new ATOM 1028 N ASP A 65 7.701 6.143 0.111 1.00 0.00 N ATOM 1029 CA ASP A 65 6.743 6.964 0.902 1.00 0.00 C ATOM 1030 C ASP A 65 5.463 6.162 1.149 1.00 0.00 C ATOM 1031 O ASP A 65 4.718 5.867 0.236 1.00 0.00 O ATOM 1032 CB ASP A 65 6.402 8.240 0.128 1.00 0.00 C ATOM 1033 CG ASP A 65 5.511 9.137 0.988 1.00 0.00 C ATOM 1034 OD1 ASP A 65 4.958 8.639 1.955 1.00 0.00 O ATOM 1035 OD2 ASP A 65 5.397 10.308 0.666 1.00 0.00 O ATOM 0 H ASP A 65 7.701 6.324 -0.893 1.00 0.00 H new ATOM 0 HA ASP A 65 7.197 7.228 1.857 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.316 8.769 -0.142 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.893 7.988 -0.802 1.00 0.00 H new ATOM 1040 N PHE A 66 5.203 5.804 2.376 1.00 0.00 N ATOM 1041 CA PHE A 66 3.981 5.007 2.678 1.00 0.00 C ATOM 1042 C PHE A 66 2.751 5.917 2.614 1.00 0.00 C ATOM 1043 O PHE A 66 1.733 5.561 2.053 1.00 0.00 O ATOM 1044 CB PHE A 66 4.097 4.405 4.079 1.00 0.00 C ATOM 1045 CG PHE A 66 2.790 3.750 4.455 1.00 0.00 C ATOM 1046 CD1 PHE A 66 2.521 2.438 4.043 1.00 0.00 C ATOM 1047 CD2 PHE A 66 1.848 4.451 5.216 1.00 0.00 C ATOM 1048 CE1 PHE A 66 1.309 1.829 4.393 1.00 0.00 C ATOM 1049 CE2 PHE A 66 0.637 3.843 5.565 1.00 0.00 C ATOM 1050 CZ PHE A 66 0.366 2.533 5.153 1.00 0.00 C ATOM 0 H PHE A 66 5.784 6.029 3.183 1.00 0.00 H new ATOM 0 HA PHE A 66 3.880 4.206 1.946 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.904 3.673 4.106 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.347 5.182 4.801 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.248 1.896 3.456 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.056 5.462 5.534 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.102 0.817 4.077 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.089 4.385 6.153 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.570 2.065 5.421 1.00 0.00 H new ATOM 1060 N ARG A 67 2.836 7.087 3.184 1.00 0.00 N ATOM 1061 CA ARG A 67 1.667 8.010 3.173 1.00 0.00 C ATOM 1062 C ARG A 67 1.255 8.293 1.725 1.00 0.00 C ATOM 1063 O ARG A 67 0.089 8.276 1.387 1.00 0.00 O ATOM 1064 CB ARG A 67 2.045 9.322 3.861 1.00 0.00 C ATOM 1065 CG ARG A 67 0.809 10.218 3.968 1.00 0.00 C ATOM 1066 CD ARG A 67 -0.008 9.817 5.198 1.00 0.00 C ATOM 1067 NE ARG A 67 -1.182 10.724 5.331 1.00 0.00 N ATOM 1068 CZ ARG A 67 -1.070 11.845 5.989 1.00 0.00 C ATOM 1069 NH1 ARG A 67 0.072 12.172 6.531 1.00 0.00 N ATOM 1070 NH2 ARG A 67 -2.099 12.639 6.106 1.00 0.00 N ATOM 0 H ARG A 67 3.666 7.444 3.658 1.00 0.00 H new ATOM 0 HA ARG A 67 0.835 7.549 3.705 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.448 9.121 4.853 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.827 9.829 3.296 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.110 11.263 4.043 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.201 10.125 3.068 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.342 8.784 5.105 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.611 9.873 6.093 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.074 10.469 4.907 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.876 11.551 6.440 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.160 13.048 7.045 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -2.991 12.383 5.683 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.011 13.515 6.621 1.00 0.00 H new ATOM 1084 N THR A 68 2.205 8.552 0.869 1.00 0.00 N ATOM 1085 CA THR A 68 1.866 8.851 -0.551 1.00 0.00 C ATOM 1086 C THR A 68 2.019 7.581 -1.390 1.00 0.00 C ATOM 1087 O THR A 68 1.578 7.516 -2.521 1.00 0.00 O ATOM 1088 CB THR A 68 2.810 9.932 -1.085 1.00 0.00 C ATOM 1089 OG1 THR A 68 4.133 9.419 -1.133 1.00 0.00 O ATOM 1090 CG2 THR A 68 2.765 11.152 -0.163 1.00 0.00 C ATOM 0 H THR A 68 3.200 8.570 1.091 1.00 0.00 H new ATOM 0 HA THR A 68 0.837 9.205 -0.612 1.00 0.00 H new ATOM 0 HB THR A 68 2.498 10.227 -2.087 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.765 10.117 -0.862 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.437 11.921 -0.544 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.749 11.544 -0.127 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.077 10.862 0.840 1.00 0.00 H new ATOM 1098 N GLY A 69 2.639 6.570 -0.846 1.00 0.00 N ATOM 1099 CA GLY A 69 2.822 5.306 -1.615 1.00 0.00 C ATOM 1100 C GLY A 69 3.661 5.584 -2.863 1.00 0.00 C ATOM 1101 O GLY A 69 3.390 5.072 -3.932 1.00 0.00 O ATOM 0 H GLY A 69 3.027 6.564 0.097 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.313 4.558 -0.993 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.852 4.897 -1.899 1.00 0.00 H new ATOM 1105 N LYS A 70 4.679 6.391 -2.736 1.00 0.00 N ATOM 1106 CA LYS A 70 5.535 6.700 -3.916 1.00 0.00 C ATOM 1107 C LYS A 70 7.007 6.516 -3.540 1.00 0.00 C ATOM 1108 O LYS A 70 7.377 6.592 -2.385 1.00 0.00 O ATOM 1109 CB LYS A 70 5.298 8.147 -4.355 1.00 0.00 C ATOM 1110 CG LYS A 70 3.868 8.293 -4.883 1.00 0.00 C ATOM 1111 CD LYS A 70 3.635 9.735 -5.334 1.00 0.00 C ATOM 1112 CE LYS A 70 2.219 9.872 -5.895 1.00 0.00 C ATOM 1113 NZ LYS A 70 1.987 11.283 -6.318 1.00 0.00 N ATOM 0 H LYS A 70 4.954 6.849 -1.867 1.00 0.00 H new ATOM 0 HA LYS A 70 5.281 6.026 -4.735 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.458 8.824 -3.516 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.013 8.425 -5.129 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.705 7.609 -5.716 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.153 8.024 -4.106 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.772 10.416 -4.494 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.367 10.013 -6.093 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.086 9.200 -6.743 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.488 9.582 -5.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.024 11.377 -6.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.098 11.914 -5.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.677 11.544 -7.051 1.00 0.00 H new ATOM 1127 N MET A 71 7.850 6.275 -4.507 1.00 0.00 N ATOM 1128 CA MET A 71 9.297 6.090 -4.203 1.00 0.00 C ATOM 1129 C MET A 71 10.031 7.420 -4.385 1.00 0.00 C ATOM 1130 O MET A 71 10.035 7.996 -5.455 1.00 0.00 O ATOM 1131 CB MET A 71 9.888 5.047 -5.153 1.00 0.00 C ATOM 1132 CG MET A 71 11.308 4.692 -4.705 1.00 0.00 C ATOM 1133 SD MET A 71 11.782 3.096 -5.412 1.00 0.00 S ATOM 1134 CE MET A 71 11.819 2.163 -3.862 1.00 0.00 C ATOM 0 H MET A 71 7.600 6.198 -5.493 1.00 0.00 H new ATOM 0 HA MET A 71 9.411 5.750 -3.174 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.264 4.153 -5.162 1.00 0.00 H new ATOM 0 HB3 MET A 71 9.903 5.435 -6.171 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.006 5.465 -5.025 1.00 0.00 H new ATOM 0 HG3 MET A 71 11.357 4.649 -3.617 1.00 0.00 H new ATOM 0 HE1 MET A 71 11.990 1.108 -4.076 1.00 0.00 H new ATOM 0 HE2 MET A 71 12.623 2.540 -3.230 1.00 0.00 H new ATOM 0 HE3 MET A 71 10.866 2.278 -3.345 1.00 0.00 H new ATOM 1144 N LEU A 72 10.652 7.912 -3.349 1.00 0.00 N ATOM 1145 CA LEU A 72 11.386 9.204 -3.465 1.00 0.00 C ATOM 1146 C LEU A 72 12.865 8.926 -3.739 1.00 0.00 C ATOM 1147 CB LEU A 72 11.248 9.987 -2.157 1.00 0.00 C ATOM 1148 CG LEU A 72 11.395 11.483 -2.441 1.00 0.00 C ATOM 1149 CD1 LEU A 72 12.687 11.732 -3.221 1.00 0.00 C ATOM 1150 CD2 LEU A 72 10.200 11.963 -3.271 1.00 0.00 C ATOM 0 H LEU A 72 10.683 7.476 -2.427 1.00 0.00 H new ATOM 0 HA LEU A 72 10.968 9.788 -4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.279 9.786 -1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.008 9.664 -1.446 1.00 0.00 H new ATOM 0 HG LEU A 72 11.429 12.029 -1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.791 12.798 -3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 72 13.539 11.390 -2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 72 12.654 11.186 -4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.303 13.029 -3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.168 11.415 -4.213 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.278 11.787 -2.717 1.00 0.00 H new