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 47 SER OG : rot 180:sc= 0.0359 USER MOD Set 1.2: A 50 GLN : amide:sc= -2.21! C(o=-2.2!,f=-8.3!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot -135:sc= -6.65! USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 37 TYR OH : rot 0:sc= -1.18 USER MOD Single : A 38 TYR OH : rot 62:sc= -0.168 USER MOD Single : A 39 SER OG : rot 121:sc= -1.6 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -151:sc= -0.213 (180deg=-1.54!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -159:sc= -2.29 USER MOD Single : A 59 MET CE :methyl 171:sc= -0.917 (180deg=-1.33) 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= -3.96! USER MOD Single : A 70 LYS NZ :NH3+ 138:sc= -0.0755 (180deg=-0.419) USER MOD Single : A 71 MET CE :methyl 167:sc= 0 (180deg=-0.241) USER MOD ----------------------------------------------------------------- ATOM 53 N ARG A 5 -13.437 4.152 -3.325 1.00 0.00 N ATOM 54 CA ARG A 5 -12.218 4.959 -3.037 1.00 0.00 C ATOM 55 C ARG A 5 -11.418 5.150 -4.328 1.00 0.00 C ATOM 56 O ARG A 5 -11.786 4.659 -5.376 1.00 0.00 O ATOM 57 CB ARG A 5 -11.355 4.231 -2.005 1.00 0.00 C ATOM 58 CG ARG A 5 -11.841 4.579 -0.597 1.00 0.00 C ATOM 59 CD ARG A 5 -13.297 4.139 -0.434 1.00 0.00 C ATOM 60 NE ARG A 5 -13.747 4.414 0.958 1.00 0.00 N ATOM 61 CZ ARG A 5 -15.002 4.258 1.280 1.00 0.00 C ATOM 62 NH1 ARG A 5 -15.861 3.861 0.384 1.00 0.00 N ATOM 63 NH2 ARG A 5 -15.396 4.500 2.501 1.00 0.00 N ATOM 0 HA ARG A 5 -12.511 5.932 -2.642 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.410 3.154 -2.164 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.310 4.518 -2.122 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.216 4.085 0.147 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.753 5.652 -0.426 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -13.930 4.671 -1.144 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -13.394 3.076 -0.655 1.00 0.00 H new ATOM 0 HE ARG A 5 -13.075 4.724 1.660 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -15.553 3.672 -0.570 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -16.842 3.739 0.636 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -14.723 4.811 3.202 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -16.377 4.378 2.754 1.00 0.00 H new ATOM 77 N LYS A 6 -10.326 5.862 -4.260 1.00 0.00 N ATOM 78 CA LYS A 6 -9.509 6.091 -5.485 1.00 0.00 C ATOM 79 C LYS A 6 -8.310 5.141 -5.485 1.00 0.00 C ATOM 80 O LYS A 6 -7.294 5.406 -4.873 1.00 0.00 O ATOM 81 CB LYS A 6 -9.013 7.539 -5.501 1.00 0.00 C ATOM 82 CG LYS A 6 -10.207 8.490 -5.418 1.00 0.00 C ATOM 83 CD LYS A 6 -10.281 9.097 -4.016 1.00 0.00 C ATOM 84 CE LYS A 6 -9.214 10.181 -3.870 1.00 0.00 C ATOM 85 NZ LYS A 6 -9.831 11.520 -4.091 1.00 0.00 N ATOM 0 H LYS A 6 -9.965 6.295 -3.410 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.119 5.904 -6.369 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.338 7.712 -4.663 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.446 7.730 -6.412 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.109 9.280 -6.163 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.129 7.953 -5.642 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.270 9.521 -3.844 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.131 8.322 -3.265 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.767 10.134 -2.877 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.412 10.015 -4.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.105 12.258 -3.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.238 11.561 -5.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.582 11.677 -3.388 1.00 0.00 H new ATOM 99 N ARG A 7 -8.420 4.034 -6.168 1.00 0.00 N ATOM 100 CA ARG A 7 -7.282 3.073 -6.213 1.00 0.00 C ATOM 101 C ARG A 7 -6.159 3.652 -7.073 1.00 0.00 C ATOM 102 O ARG A 7 -6.342 4.623 -7.780 1.00 0.00 O ATOM 103 CB ARG A 7 -7.758 1.749 -6.818 1.00 0.00 C ATOM 104 CG ARG A 7 -8.682 1.039 -5.828 1.00 0.00 C ATOM 105 CD ARG A 7 -9.152 -0.288 -6.429 1.00 0.00 C ATOM 106 NE ARG A 7 -10.045 -0.984 -5.460 1.00 0.00 N ATOM 107 CZ ARG A 7 -10.531 -2.160 -5.749 1.00 0.00 C ATOM 108 NH1 ARG A 7 -10.233 -2.728 -6.886 1.00 0.00 N ATOM 109 NH2 ARG A 7 -11.313 -2.770 -4.901 1.00 0.00 N ATOM 0 H ARG A 7 -9.247 3.754 -6.696 1.00 0.00 H new ATOM 0 HA ARG A 7 -6.912 2.900 -5.203 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -8.284 1.933 -7.755 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.902 1.115 -7.052 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -8.158 0.860 -4.889 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -9.540 1.670 -5.598 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.682 -0.108 -7.364 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -8.294 -0.917 -6.665 1.00 0.00 H new ATOM 0 HE ARG A 7 -10.276 -0.541 -4.571 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -9.620 -2.253 -7.548 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.613 -3.647 -7.112 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -11.545 -2.328 -4.012 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -11.693 -3.689 -5.128 1.00 0.00 H new ATOM 123 N TRP A 8 -4.995 3.063 -7.022 1.00 0.00 N ATOM 124 CA TRP A 8 -3.859 3.585 -7.833 1.00 0.00 C ATOM 125 C TRP A 8 -2.736 2.546 -7.868 1.00 0.00 C ATOM 126 O TRP A 8 -2.499 1.843 -6.904 1.00 0.00 O ATOM 127 CB TRP A 8 -3.337 4.880 -7.207 1.00 0.00 C ATOM 128 CG TRP A 8 -4.047 6.048 -7.813 1.00 0.00 C ATOM 129 CD1 TRP A 8 -4.147 6.293 -9.138 1.00 0.00 C ATOM 130 CD2 TRP A 8 -4.757 7.129 -7.141 1.00 0.00 C ATOM 131 NE1 TRP A 8 -4.872 7.457 -9.324 1.00 0.00 N ATOM 132 CE2 TRP A 8 -5.270 8.009 -8.123 1.00 0.00 C ATOM 133 CE3 TRP A 8 -5.003 7.428 -5.789 1.00 0.00 C ATOM 134 CZ2 TRP A 8 -6.001 9.146 -7.777 1.00 0.00 C ATOM 135 CZ3 TRP A 8 -5.738 8.572 -5.436 1.00 0.00 C ATOM 136 CH2 TRP A 8 -6.236 9.428 -6.428 1.00 0.00 C ATOM 0 H TRP A 8 -4.782 2.243 -6.454 1.00 0.00 H new ATOM 0 HA TRP A 8 -4.200 3.785 -8.849 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.495 4.865 -6.129 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -2.263 4.969 -7.371 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -3.729 5.681 -9.923 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -5.086 7.858 -10.237 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.625 6.774 -5.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -6.382 9.803 -8.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -5.920 8.793 -4.395 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -6.801 10.305 -6.150 1.00 0.00 H new ATOM 147 N GLU A 9 -2.043 2.442 -8.968 1.00 0.00 N ATOM 148 CA GLU A 9 -0.933 1.452 -9.059 1.00 0.00 C ATOM 149 C GLU A 9 0.383 2.124 -8.662 1.00 0.00 C ATOM 150 O GLU A 9 0.665 3.239 -9.054 1.00 0.00 O ATOM 151 CB GLU A 9 -0.830 0.936 -10.496 1.00 0.00 C ATOM 152 CG GLU A 9 -2.073 0.112 -10.835 1.00 0.00 C ATOM 153 CD GLU A 9 -3.194 1.046 -11.299 1.00 0.00 C ATOM 154 OE1 GLU A 9 -2.998 2.248 -11.238 1.00 0.00 O ATOM 155 OE2 GLU A 9 -4.226 0.540 -11.707 1.00 0.00 O ATOM 0 H GLU A 9 -2.197 3.000 -9.808 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.132 0.618 -8.386 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.736 1.773 -11.188 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.066 0.326 -10.611 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -1.841 -0.611 -11.617 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.396 -0.455 -9.962 1.00 0.00 H new ATOM 162 N CYS A 10 1.190 1.454 -7.887 1.00 0.00 N ATOM 163 CA CYS A 10 2.485 2.055 -7.462 1.00 0.00 C ATOM 164 C CYS A 10 3.642 1.244 -8.046 1.00 0.00 C ATOM 165 O CYS A 10 3.986 0.189 -7.550 1.00 0.00 O ATOM 166 CB CYS A 10 2.576 2.042 -5.934 1.00 0.00 C ATOM 167 SG CYS A 10 2.444 3.735 -5.307 1.00 0.00 S ATOM 0 H CYS A 10 1.009 0.516 -7.530 1.00 0.00 H new ATOM 0 HA CYS A 10 2.543 3.082 -7.823 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.780 1.425 -5.517 1.00 0.00 H new ATOM 0 HB3 CYS A 10 3.521 1.599 -5.619 1.00 0.00 H new ATOM 0 HG CYS A 10 3.355 3.935 -4.402 1.00 0.00 H new ATOM 173 N PRO A 11 4.236 1.738 -9.099 1.00 0.00 N ATOM 174 CA PRO A 11 5.381 1.063 -9.773 1.00 0.00 C ATOM 175 C PRO A 11 6.493 0.687 -8.788 1.00 0.00 C ATOM 176 O PRO A 11 7.112 -0.353 -8.903 1.00 0.00 O ATOM 177 CB PRO A 11 5.884 2.107 -10.771 1.00 0.00 C ATOM 178 CG PRO A 11 4.712 2.993 -11.045 1.00 0.00 C ATOM 179 CD PRO A 11 3.875 3.001 -9.761 1.00 0.00 C ATOM 0 HA PRO A 11 5.079 0.125 -10.239 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.718 2.675 -10.358 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.242 1.635 -11.686 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.037 4.000 -11.304 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.130 2.619 -11.887 1.00 0.00 H new ATOM 0 HD2 PRO A 11 4.110 3.862 -9.135 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.808 3.048 -9.979 1.00 0.00 H new ATOM 187 N ALA A 12 6.751 1.524 -7.821 1.00 0.00 N ATOM 188 CA ALA A 12 7.812 1.207 -6.824 1.00 0.00 C ATOM 189 C ALA A 12 7.462 -0.096 -6.102 1.00 0.00 C ATOM 190 O ALA A 12 8.322 -0.782 -5.588 1.00 0.00 O ATOM 191 CB ALA A 12 7.910 2.344 -5.805 1.00 0.00 C ATOM 0 H ALA A 12 6.273 2.414 -7.678 1.00 0.00 H new ATOM 0 HA ALA A 12 8.768 1.093 -7.335 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.686 2.113 -5.075 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.160 3.272 -6.319 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.954 2.458 -5.294 1.00 0.00 H new ATOM 197 N LEU A 13 6.203 -0.441 -6.060 1.00 0.00 N ATOM 198 CA LEU A 13 5.801 -1.705 -5.381 1.00 0.00 C ATOM 199 C LEU A 13 5.880 -2.866 -6.373 1.00 0.00 C ATOM 200 O LEU A 13 5.820 -2.675 -7.571 1.00 0.00 O ATOM 201 CB LEU A 13 4.366 -1.572 -4.866 1.00 0.00 C ATOM 202 CG LEU A 13 4.386 -1.094 -3.413 1.00 0.00 C ATOM 203 CD1 LEU A 13 5.258 0.158 -3.299 1.00 0.00 C ATOM 204 CD2 LEU A 13 2.960 -0.763 -2.966 1.00 0.00 C ATOM 0 H LEU A 13 5.437 0.097 -6.466 1.00 0.00 H new ATOM 0 HA LEU A 13 6.473 -1.897 -4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.811 -0.867 -5.484 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.853 -2.531 -4.937 1.00 0.00 H new ATOM 0 HG LEU A 13 4.794 -1.880 -2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.272 0.499 -2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.274 -0.076 -3.618 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.850 0.944 -3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.973 -0.422 -1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.553 0.023 -3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.337 -1.654 -3.047 1.00 0.00 H new ATOM 216 N PRO A 14 6.014 -4.063 -5.871 1.00 0.00 N ATOM 217 CA PRO A 14 6.111 -5.288 -6.717 1.00 0.00 C ATOM 218 C PRO A 14 4.872 -5.483 -7.596 1.00 0.00 C ATOM 219 O PRO A 14 3.758 -5.241 -7.178 1.00 0.00 O ATOM 220 CB PRO A 14 6.227 -6.425 -5.701 1.00 0.00 C ATOM 221 CG PRO A 14 5.740 -5.858 -4.408 1.00 0.00 C ATOM 222 CD PRO A 14 6.090 -4.378 -4.437 1.00 0.00 C ATOM 0 HA PRO A 14 6.951 -5.236 -7.409 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.627 -7.284 -6.003 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.257 -6.770 -5.615 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.665 -6.002 -4.300 1.00 0.00 H new ATOM 0 HG3 PRO A 14 6.215 -6.354 -3.562 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.388 -3.783 -3.853 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.084 -4.188 -4.031 1.00 0.00 H new ATOM 230 N GLN A 15 5.060 -5.916 -8.813 1.00 0.00 N ATOM 231 CA GLN A 15 3.896 -6.108 -9.722 1.00 0.00 C ATOM 232 C GLN A 15 2.854 -6.995 -9.038 1.00 0.00 C ATOM 233 O GLN A 15 3.130 -8.116 -8.662 1.00 0.00 O ATOM 234 CB GLN A 15 4.365 -6.778 -11.015 1.00 0.00 C ATOM 235 CG GLN A 15 5.261 -5.814 -11.796 1.00 0.00 C ATOM 236 CD GLN A 15 5.694 -6.468 -13.109 1.00 0.00 C ATOM 237 OE1 GLN A 15 4.871 -6.948 -13.862 1.00 0.00 O ATOM 238 NE2 GLN A 15 6.962 -6.506 -13.417 1.00 0.00 N ATOM 0 H GLN A 15 5.969 -6.145 -9.216 1.00 0.00 H new ATOM 0 HA GLN A 15 3.453 -5.140 -9.953 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.911 -7.693 -10.785 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.505 -7.064 -11.621 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.725 -4.887 -11.999 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.137 -5.553 -11.202 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.653 -6.103 -12.784 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.262 -6.939 -14.290 1.00 0.00 H new ATOM 247 N GLY A 16 1.657 -6.500 -8.874 1.00 0.00 N ATOM 248 CA GLY A 16 0.594 -7.321 -8.229 1.00 0.00 C ATOM 249 C GLY A 16 0.052 -6.586 -7.000 1.00 0.00 C ATOM 250 O GLY A 16 -1.084 -6.765 -6.610 1.00 0.00 O ATOM 0 H GLY A 16 1.370 -5.564 -9.159 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.213 -7.511 -8.937 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.996 -8.291 -7.937 1.00 0.00 H new ATOM 254 N TRP A 17 0.856 -5.759 -6.391 1.00 0.00 N ATOM 255 CA TRP A 17 0.384 -5.010 -5.193 1.00 0.00 C ATOM 256 C TRP A 17 -0.375 -3.758 -5.638 1.00 0.00 C ATOM 257 O TRP A 17 -0.155 -3.239 -6.715 1.00 0.00 O ATOM 258 CB TRP A 17 1.589 -4.599 -4.342 1.00 0.00 C ATOM 259 CG TRP A 17 2.180 -5.811 -3.697 1.00 0.00 C ATOM 260 CD1 TRP A 17 2.421 -6.985 -4.324 1.00 0.00 C ATOM 261 CD2 TRP A 17 2.606 -5.991 -2.316 1.00 0.00 C ATOM 262 NE1 TRP A 17 2.969 -7.873 -3.416 1.00 0.00 N ATOM 263 CE2 TRP A 17 3.102 -7.307 -2.164 1.00 0.00 C ATOM 264 CE3 TRP A 17 2.609 -5.147 -1.190 1.00 0.00 C ATOM 265 CZ2 TRP A 17 3.585 -7.769 -0.940 1.00 0.00 C ATOM 266 CZ3 TRP A 17 3.096 -5.609 0.043 1.00 0.00 C ATOM 267 CH2 TRP A 17 3.583 -6.918 0.169 1.00 0.00 C ATOM 0 H TRP A 17 1.818 -5.570 -6.671 1.00 0.00 H new ATOM 0 HA TRP A 17 -0.278 -5.646 -4.605 1.00 0.00 H new ATOM 0 HB2 TRP A 17 2.335 -4.104 -4.964 1.00 0.00 H new ATOM 0 HB3 TRP A 17 1.282 -3.882 -3.581 1.00 0.00 H new ATOM 0 HD1 TRP A 17 2.219 -7.195 -5.364 1.00 0.00 H new ATOM 0 HE1 TRP A 17 3.242 -8.829 -3.644 1.00 0.00 H new ATOM 0 HE3 TRP A 17 2.234 -4.138 -1.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 3.958 -8.778 -0.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 3.096 -4.952 0.900 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.956 -7.268 1.120 1.00 0.00 H new ATOM 278 N GLU A 18 -1.267 -3.271 -4.820 1.00 0.00 N ATOM 279 CA GLU A 18 -2.047 -2.061 -5.203 1.00 0.00 C ATOM 280 C GLU A 18 -2.283 -1.194 -3.965 1.00 0.00 C ATOM 281 O GLU A 18 -2.232 -1.664 -2.846 1.00 0.00 O ATOM 282 CB GLU A 18 -3.394 -2.487 -5.792 1.00 0.00 C ATOM 283 CG GLU A 18 -3.169 -3.167 -7.144 1.00 0.00 C ATOM 284 CD GLU A 18 -4.506 -3.666 -7.693 1.00 0.00 C ATOM 285 OE1 GLU A 18 -5.506 -3.492 -7.016 1.00 0.00 O ATOM 286 OE2 GLU A 18 -4.508 -4.216 -8.783 1.00 0.00 O ATOM 0 H GLU A 18 -1.489 -3.659 -3.903 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.490 -1.490 -5.946 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.901 -3.169 -5.110 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.041 -1.618 -5.913 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.715 -2.466 -7.844 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.476 -4.001 -7.033 1.00 0.00 H new ATOM 293 N ARG A 19 -2.543 0.071 -4.157 1.00 0.00 N ATOM 294 CA ARG A 19 -2.787 0.966 -2.992 1.00 0.00 C ATOM 295 C ARG A 19 -4.144 1.655 -3.153 1.00 0.00 C ATOM 296 O ARG A 19 -4.711 1.684 -4.228 1.00 0.00 O ATOM 297 CB ARG A 19 -1.682 2.025 -2.922 1.00 0.00 C ATOM 298 CG ARG A 19 -1.618 2.784 -4.248 1.00 0.00 C ATOM 299 CD ARG A 19 -0.636 3.951 -4.121 1.00 0.00 C ATOM 300 NE ARG A 19 -0.503 4.634 -5.439 1.00 0.00 N ATOM 301 CZ ARG A 19 0.116 5.780 -5.520 1.00 0.00 C ATOM 302 NH1 ARG A 19 0.619 6.326 -4.447 1.00 0.00 N ATOM 303 NH2 ARG A 19 0.231 6.379 -6.673 1.00 0.00 N ATOM 0 H ARG A 19 -2.597 0.522 -5.070 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.785 0.377 -2.075 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.879 2.718 -2.104 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.722 1.551 -2.715 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.302 2.114 -5.048 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.608 3.155 -4.515 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.988 4.656 -3.368 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.336 3.588 -3.788 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.896 4.206 -6.277 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.528 5.857 -3.546 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.103 7.222 -4.509 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.163 5.952 -7.511 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.715 7.275 -6.736 1.00 0.00 H new ATOM 317 N GLU A 20 -4.668 2.210 -2.096 1.00 0.00 N ATOM 318 CA GLU A 20 -5.996 2.880 -2.186 1.00 0.00 C ATOM 319 C GLU A 20 -5.993 4.142 -1.321 1.00 0.00 C ATOM 320 O GLU A 20 -5.439 4.163 -0.240 1.00 0.00 O ATOM 321 CB GLU A 20 -7.084 1.925 -1.692 1.00 0.00 C ATOM 322 CG GLU A 20 -8.455 2.584 -1.858 1.00 0.00 C ATOM 323 CD GLU A 20 -9.544 1.621 -1.381 1.00 0.00 C ATOM 324 OE1 GLU A 20 -9.743 1.530 -0.181 1.00 0.00 O ATOM 325 OE2 GLU A 20 -10.163 0.992 -2.224 1.00 0.00 O ATOM 0 H GLU A 20 -4.234 2.229 -1.173 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.195 3.152 -3.223 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.047 0.992 -2.254 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.914 1.673 -0.645 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.497 3.510 -1.285 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.620 2.848 -2.903 1.00 0.00 H new ATOM 332 N GLU A 21 -6.607 5.194 -1.789 1.00 0.00 N ATOM 333 CA GLU A 21 -6.636 6.454 -0.995 1.00 0.00 C ATOM 334 C GLU A 21 -7.999 6.596 -0.315 1.00 0.00 C ATOM 335 O GLU A 21 -9.030 6.603 -0.961 1.00 0.00 O ATOM 336 CB GLU A 21 -6.405 7.648 -1.925 1.00 0.00 C ATOM 337 CG GLU A 21 -6.032 8.879 -1.095 1.00 0.00 C ATOM 338 CD GLU A 21 -4.579 8.759 -0.629 1.00 0.00 C ATOM 339 OE1 GLU A 21 -3.910 7.838 -1.071 1.00 0.00 O ATOM 340 OE2 GLU A 21 -4.161 9.588 0.162 1.00 0.00 O ATOM 0 H GLU A 21 -7.090 5.235 -2.687 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.852 6.425 -0.238 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.610 7.421 -2.635 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.304 7.848 -2.507 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.161 9.784 -1.689 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.695 8.965 -0.234 1.00 0.00 H new ATOM 347 N VAL A 22 -8.016 6.704 0.986 1.00 0.00 N ATOM 348 CA VAL A 22 -9.314 6.840 1.704 1.00 0.00 C ATOM 349 C VAL A 22 -9.355 8.179 2.443 1.00 0.00 C ATOM 350 O VAL A 22 -8.820 8.318 3.525 1.00 0.00 O ATOM 351 CB VAL A 22 -9.462 5.699 2.712 1.00 0.00 C ATOM 352 CG1 VAL A 22 -10.938 5.515 3.065 1.00 0.00 C ATOM 353 CG2 VAL A 22 -8.920 4.405 2.099 1.00 0.00 C ATOM 0 H VAL A 22 -7.188 6.704 1.581 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.131 6.799 0.983 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.901 5.938 3.615 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.042 4.702 3.783 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.325 6.436 3.501 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.501 5.276 2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -9.025 3.591 2.816 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.482 4.167 1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.867 4.534 1.848 1.00 0.00 H new ATOM 363 N PRO A 23 -9.990 9.157 1.856 1.00 0.00 N ATOM 364 CA PRO A 23 -10.124 10.512 2.461 1.00 0.00 C ATOM 365 C PRO A 23 -10.818 10.470 3.825 1.00 0.00 C ATOM 366 O PRO A 23 -11.886 9.910 3.971 1.00 0.00 O ATOM 367 CB PRO A 23 -10.977 11.277 1.450 1.00 0.00 C ATOM 368 CG PRO A 23 -10.841 10.525 0.167 1.00 0.00 C ATOM 369 CD PRO A 23 -10.652 9.074 0.545 1.00 0.00 C ATOM 0 HA PRO A 23 -9.153 10.971 2.647 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.018 11.323 1.770 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.631 12.305 1.342 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.727 10.653 -0.455 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -9.992 10.891 -0.410 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.603 8.546 0.606 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.039 8.544 -0.184 1.00 0.00 H new ATOM 377 N ARG A 24 -10.222 11.059 4.826 1.00 0.00 N ATOM 378 CA ARG A 24 -10.862 11.073 6.171 1.00 0.00 C ATOM 379 C ARG A 24 -11.742 12.318 6.304 1.00 0.00 C ATOM 380 O ARG A 24 -11.633 13.251 5.535 1.00 0.00 O ATOM 381 CB ARG A 24 -9.778 11.096 7.252 1.00 0.00 C ATOM 382 CG ARG A 24 -9.062 9.746 7.283 1.00 0.00 C ATOM 383 CD ARG A 24 -7.969 9.772 8.355 1.00 0.00 C ATOM 384 NE ARG A 24 -7.289 8.446 8.402 1.00 0.00 N ATOM 385 CZ ARG A 24 -6.207 8.294 9.115 1.00 0.00 C ATOM 386 NH1 ARG A 24 -5.718 9.303 9.785 1.00 0.00 N ATOM 387 NH2 ARG A 24 -5.611 7.135 9.156 1.00 0.00 N ATOM 0 H ARG A 24 -9.320 11.531 4.770 1.00 0.00 H new ATOM 0 HA ARG A 24 -11.475 10.180 6.291 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.064 11.894 7.049 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.223 11.306 8.224 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.775 8.949 7.495 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.625 9.532 6.308 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.245 10.556 8.133 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.403 10.005 9.327 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.669 7.658 7.877 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.182 10.211 9.751 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.872 9.183 10.342 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.991 6.347 8.631 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.765 7.016 9.713 1.00 0.00 H new ATOM 490 N HIS A 32 -6.991 14.878 5.907 1.00 0.00 N ATOM 491 CA HIS A 32 -5.986 13.781 5.998 1.00 0.00 C ATOM 492 C HIS A 32 -6.464 12.582 5.177 1.00 0.00 C ATOM 493 O HIS A 32 -7.588 12.141 5.301 1.00 0.00 O ATOM 494 CB HIS A 32 -5.818 13.363 7.462 1.00 0.00 C ATOM 495 CG HIS A 32 -5.088 14.444 8.210 1.00 0.00 C ATOM 496 ND1 HIS A 32 -5.721 15.599 8.649 1.00 0.00 N ATOM 497 CD2 HIS A 32 -3.779 14.560 8.608 1.00 0.00 C ATOM 498 CE1 HIS A 32 -4.801 16.354 9.276 1.00 0.00 C ATOM 499 NE2 HIS A 32 -3.603 15.765 9.279 1.00 0.00 N ATOM 0 HA HIS A 32 -5.030 14.131 5.608 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -6.793 13.187 7.916 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -5.264 12.426 7.523 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -3.005 13.828 8.428 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.006 17.316 9.721 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -2.740 16.124 9.688 1.00 0.00 H new ATOM 508 N ARG A 33 -5.617 12.052 4.336 1.00 0.00 N ATOM 509 CA ARG A 33 -6.023 10.883 3.509 1.00 0.00 C ATOM 510 C ARG A 33 -5.266 9.638 3.977 1.00 0.00 C ATOM 511 O ARG A 33 -4.053 9.601 3.972 1.00 0.00 O ATOM 512 CB ARG A 33 -5.695 11.158 2.040 1.00 0.00 C ATOM 513 CG ARG A 33 -6.465 12.393 1.567 1.00 0.00 C ATOM 514 CD ARG A 33 -6.092 12.703 0.117 1.00 0.00 C ATOM 515 NE ARG A 33 -6.799 13.936 -0.327 1.00 0.00 N ATOM 516 CZ ARG A 33 -8.011 13.858 -0.806 1.00 0.00 C ATOM 517 NH1 ARG A 33 -8.601 12.698 -0.899 1.00 0.00 N ATOM 518 NH2 ARG A 33 -8.631 14.939 -1.193 1.00 0.00 N ATOM 0 H ARG A 33 -4.662 12.379 4.187 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.095 10.717 3.617 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.623 11.316 1.919 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.961 10.295 1.429 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.538 12.219 1.648 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.232 13.246 2.204 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.014 12.838 0.029 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.362 11.865 -0.526 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.336 14.842 -0.257 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.115 11.853 -0.598 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.548 12.636 -1.273 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.169 15.845 -1.121 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.578 14.878 -1.567 1.00 0.00 H new ATOM 532 N ASP A 34 -5.974 8.618 4.378 1.00 0.00 N ATOM 533 CA ASP A 34 -5.294 7.372 4.831 1.00 0.00 C ATOM 534 C ASP A 34 -4.968 6.500 3.619 1.00 0.00 C ATOM 535 O ASP A 34 -5.776 6.334 2.726 1.00 0.00 O ATOM 536 CB ASP A 34 -6.217 6.603 5.780 1.00 0.00 C ATOM 537 CG ASP A 34 -5.442 5.453 6.425 1.00 0.00 C ATOM 538 OD1 ASP A 34 -4.354 5.161 5.956 1.00 0.00 O ATOM 539 OD2 ASP A 34 -5.951 4.883 7.377 1.00 0.00 O ATOM 0 H ASP A 34 -6.993 8.594 4.412 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.372 7.630 5.351 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.604 7.271 6.549 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.076 6.215 5.233 1.00 0.00 H new ATOM 544 N VAL A 35 -3.791 5.939 3.580 1.00 0.00 N ATOM 545 CA VAL A 35 -3.408 5.093 2.414 1.00 0.00 C ATOM 546 C VAL A 35 -3.310 3.631 2.854 1.00 0.00 C ATOM 547 O VAL A 35 -2.646 3.306 3.818 1.00 0.00 O ATOM 548 CB VAL A 35 -2.052 5.554 1.873 1.00 0.00 C ATOM 549 CG1 VAL A 35 -1.737 4.803 0.578 1.00 0.00 C ATOM 550 CG2 VAL A 35 -2.100 7.056 1.593 1.00 0.00 C ATOM 0 H VAL A 35 -3.078 6.029 4.304 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.163 5.188 1.633 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.277 5.346 2.610 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.772 5.131 0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.703 3.732 0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.512 5.010 -0.160 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.135 7.385 1.208 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.875 7.264 0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.324 7.591 2.516 1.00 0.00 H new ATOM 560 N PHE A 36 -3.972 2.747 2.159 1.00 0.00 N ATOM 561 CA PHE A 36 -3.900 1.305 2.526 1.00 0.00 C ATOM 562 C PHE A 36 -3.275 0.516 1.375 1.00 0.00 C ATOM 563 O PHE A 36 -3.449 0.845 0.218 1.00 0.00 O ATOM 564 CB PHE A 36 -5.309 0.777 2.802 1.00 0.00 C ATOM 565 CG PHE A 36 -5.749 1.214 4.178 1.00 0.00 C ATOM 566 CD1 PHE A 36 -6.390 2.447 4.351 1.00 0.00 C ATOM 567 CD2 PHE A 36 -5.518 0.385 5.283 1.00 0.00 C ATOM 568 CE1 PHE A 36 -6.798 2.851 5.628 1.00 0.00 C ATOM 569 CE2 PHE A 36 -5.927 0.789 6.560 1.00 0.00 C ATOM 570 CZ PHE A 36 -6.567 2.022 6.732 1.00 0.00 C ATOM 0 H PHE A 36 -4.559 2.961 1.353 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.288 1.188 3.420 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.003 1.152 2.050 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.321 -0.311 2.733 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.570 3.086 3.499 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.024 -0.566 5.150 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.291 3.803 5.761 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.749 0.149 7.412 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.883 2.334 7.717 1.00 0.00 H new ATOM 580 N TYR A 37 -2.549 -0.525 1.680 1.00 0.00 N ATOM 581 CA TYR A 37 -1.908 -1.329 0.602 1.00 0.00 C ATOM 582 C TYR A 37 -2.462 -2.755 0.635 1.00 0.00 C ATOM 583 O TYR A 37 -2.821 -3.270 1.675 1.00 0.00 O ATOM 584 CB TYR A 37 -0.395 -1.363 0.823 1.00 0.00 C ATOM 585 CG TYR A 37 0.165 0.032 0.686 1.00 0.00 C ATOM 586 CD1 TYR A 37 0.171 0.896 1.788 1.00 0.00 C ATOM 587 CD2 TYR A 37 0.677 0.463 -0.543 1.00 0.00 C ATOM 588 CE1 TYR A 37 0.689 2.190 1.660 1.00 0.00 C ATOM 589 CE2 TYR A 37 1.196 1.758 -0.671 1.00 0.00 C ATOM 590 CZ TYR A 37 1.202 2.620 0.431 1.00 0.00 C ATOM 591 OH TYR A 37 1.712 3.896 0.305 1.00 0.00 O ATOM 0 H TYR A 37 -2.372 -0.853 2.629 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.122 -0.878 -0.367 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.170 -1.761 1.812 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.074 -2.028 0.098 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.224 0.564 2.737 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.672 -0.203 -1.393 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.693 2.857 2.510 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.591 2.091 -1.620 1.00 0.00 H new ATOM 0 HH TYR A 37 1.638 4.364 1.163 1.00 0.00 H new ATOM 601 N TYR A 38 -2.535 -3.398 -0.499 1.00 0.00 N ATOM 602 CA TYR A 38 -3.091 -4.779 -0.537 1.00 0.00 C ATOM 603 C TYR A 38 -2.172 -5.679 -1.365 1.00 0.00 C ATOM 604 O TYR A 38 -1.587 -5.255 -2.342 1.00 0.00 O ATOM 605 CB TYR A 38 -4.485 -4.750 -1.172 1.00 0.00 C ATOM 606 CG TYR A 38 -5.287 -3.622 -0.572 1.00 0.00 C ATOM 607 CD1 TYR A 38 -5.127 -2.316 -1.053 1.00 0.00 C ATOM 608 CD2 TYR A 38 -6.193 -3.880 0.462 1.00 0.00 C ATOM 609 CE1 TYR A 38 -5.873 -1.270 -0.497 1.00 0.00 C ATOM 610 CE2 TYR A 38 -6.938 -2.834 1.018 1.00 0.00 C ATOM 611 CZ TYR A 38 -6.777 -1.529 0.539 1.00 0.00 C ATOM 612 OH TYR A 38 -7.512 -0.496 1.087 1.00 0.00 O ATOM 0 H TYR A 38 -2.234 -3.026 -1.400 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.161 -5.170 0.478 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.402 -4.618 -2.251 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.992 -5.700 -1.005 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.429 -2.116 -1.852 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.318 -4.887 0.832 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.751 -0.263 -0.868 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.637 -3.034 1.817 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.090 -0.105 0.399 1.00 0.00 H new ATOM 622 N SER A 39 -2.039 -6.919 -0.982 1.00 0.00 N ATOM 623 CA SER A 39 -1.174 -7.851 -1.760 1.00 0.00 C ATOM 624 C SER A 39 -2.052 -8.778 -2.603 1.00 0.00 C ATOM 625 O SER A 39 -3.221 -8.961 -2.326 1.00 0.00 O ATOM 626 CB SER A 39 -0.329 -8.686 -0.797 1.00 0.00 C ATOM 627 OG SER A 39 -1.137 -9.101 0.296 1.00 0.00 O ATOM 0 H SER A 39 -2.492 -7.327 -0.164 1.00 0.00 H new ATOM 0 HA SER A 39 -0.518 -7.277 -2.415 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.080 -9.555 -1.313 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.518 -8.102 -0.437 1.00 0.00 H new ATOM 0 HG SER A 39 -1.149 -10.080 0.341 1.00 0.00 H new ATOM 633 N PRO A 40 -1.485 -9.355 -3.626 1.00 0.00 N ATOM 634 CA PRO A 40 -2.205 -10.312 -4.515 1.00 0.00 C ATOM 635 C PRO A 40 -2.848 -11.460 -3.732 1.00 0.00 C ATOM 636 O PRO A 40 -3.707 -12.160 -4.231 1.00 0.00 O ATOM 637 CB PRO A 40 -1.110 -10.846 -5.442 1.00 0.00 C ATOM 638 CG PRO A 40 0.180 -10.457 -4.798 1.00 0.00 C ATOM 639 CD PRO A 40 -0.090 -9.158 -4.047 1.00 0.00 C ATOM 0 HA PRO A 40 -3.026 -9.830 -5.045 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.183 -11.928 -5.553 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.196 -10.416 -6.440 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.525 -11.235 -4.117 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.961 -10.319 -5.545 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.581 -9.026 -3.198 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.027 -8.282 -4.685 1.00 0.00 H new ATOM 647 N SER A 41 -2.440 -11.658 -2.509 1.00 0.00 N ATOM 648 CA SER A 41 -3.042 -12.747 -1.688 1.00 0.00 C ATOM 649 C SER A 41 -4.305 -12.229 -0.999 1.00 0.00 C ATOM 650 O SER A 41 -4.990 -12.956 -0.307 1.00 0.00 O ATOM 651 CB SER A 41 -2.036 -13.204 -0.632 1.00 0.00 C ATOM 652 OG SER A 41 -0.756 -13.345 -1.232 1.00 0.00 O ATOM 0 H SER A 41 -1.715 -11.113 -2.042 1.00 0.00 H new ATOM 0 HA SER A 41 -3.300 -13.587 -2.333 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.991 -12.480 0.181 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.353 -14.152 -0.198 1.00 0.00 H new ATOM 0 HG SER A 41 -0.108 -13.636 -0.557 1.00 0.00 H new ATOM 658 N GLY A 42 -4.623 -10.976 -1.184 1.00 0.00 N ATOM 659 CA GLY A 42 -5.845 -10.414 -0.542 1.00 0.00 C ATOM 660 C GLY A 42 -5.517 -9.970 0.884 1.00 0.00 C ATOM 661 O GLY A 42 -6.385 -9.574 1.636 1.00 0.00 O ATOM 0 H GLY A 42 -4.089 -10.318 -1.752 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.216 -9.568 -1.121 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.637 -11.162 -0.528 1.00 0.00 H new ATOM 665 N LYS A 43 -4.269 -10.030 1.262 1.00 0.00 N ATOM 666 CA LYS A 43 -3.887 -9.614 2.640 1.00 0.00 C ATOM 667 C LYS A 43 -3.899 -8.086 2.731 1.00 0.00 C ATOM 668 O LYS A 43 -3.175 -7.407 2.029 1.00 0.00 O ATOM 669 CB LYS A 43 -2.484 -10.133 2.961 1.00 0.00 C ATOM 670 CG LYS A 43 -2.171 -9.882 4.437 1.00 0.00 C ATOM 671 CD LYS A 43 -0.715 -10.256 4.720 1.00 0.00 C ATOM 672 CE LYS A 43 -0.345 -9.824 6.142 1.00 0.00 C ATOM 673 NZ LYS A 43 -0.786 -10.868 7.109 1.00 0.00 N ATOM 0 H LYS A 43 -3.498 -10.349 0.675 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.598 -10.028 3.355 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.420 -11.199 2.741 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.747 -9.633 2.332 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.343 -8.834 4.683 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.838 -10.471 5.067 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.576 -11.331 4.607 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.057 -9.772 3.998 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.732 -9.673 6.219 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.818 -8.871 6.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.535 -10.575 8.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.817 -10.991 7.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.315 -11.768 6.887 1.00 0.00 H new ATOM 687 N LYS A 44 -4.714 -7.539 3.591 1.00 0.00 N ATOM 688 CA LYS A 44 -4.764 -6.056 3.731 1.00 0.00 C ATOM 689 C LYS A 44 -3.819 -5.617 4.851 1.00 0.00 C ATOM 690 O LYS A 44 -3.945 -6.037 5.984 1.00 0.00 O ATOM 691 CB LYS A 44 -6.192 -5.624 4.070 1.00 0.00 C ATOM 692 CG LYS A 44 -6.252 -4.101 4.185 1.00 0.00 C ATOM 693 CD LYS A 44 -7.680 -3.668 4.524 1.00 0.00 C ATOM 694 CE LYS A 44 -7.746 -2.142 4.607 1.00 0.00 C ATOM 695 NZ LYS A 44 -9.138 -1.722 4.936 1.00 0.00 N ATOM 0 H LYS A 44 -5.347 -8.055 4.202 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.457 -5.592 2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.880 -5.968 3.298 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.509 -6.083 5.007 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.564 -3.757 4.957 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.935 -3.643 3.248 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.371 -4.031 3.764 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.989 -4.108 5.472 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.056 -1.778 5.368 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.436 -1.702 3.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.183 -0.685 4.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.786 -2.057 4.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.417 -2.131 5.851 1.00 0.00 H new ATOM 709 N PHE A 45 -2.872 -4.773 4.543 1.00 0.00 N ATOM 710 CA PHE A 45 -1.936 -4.289 5.597 1.00 0.00 C ATOM 711 C PHE A 45 -1.642 -2.803 5.374 1.00 0.00 C ATOM 712 O PHE A 45 -1.651 -2.320 4.259 1.00 0.00 O ATOM 713 CB PHE A 45 -0.631 -5.084 5.521 1.00 0.00 C ATOM 714 CG PHE A 45 -0.275 -5.332 4.075 1.00 0.00 C ATOM 715 CD1 PHE A 45 0.172 -4.276 3.272 1.00 0.00 C ATOM 716 CD2 PHE A 45 -0.390 -6.620 3.537 1.00 0.00 C ATOM 717 CE1 PHE A 45 0.501 -4.506 1.930 1.00 0.00 C ATOM 718 CE2 PHE A 45 -0.062 -6.850 2.196 1.00 0.00 C ATOM 719 CZ PHE A 45 0.385 -5.794 1.393 1.00 0.00 C ATOM 0 H PHE A 45 -2.706 -4.398 3.609 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.389 -4.426 6.579 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.171 -4.535 6.015 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.739 -6.032 6.048 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.263 -3.283 3.687 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.732 -7.436 4.157 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.844 -3.691 1.310 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.154 -7.843 1.780 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.640 -5.973 0.359 1.00 0.00 H new ATOM 729 N ARG A 46 -1.383 -2.076 6.426 1.00 0.00 N ATOM 730 CA ARG A 46 -1.085 -0.624 6.273 1.00 0.00 C ATOM 731 C ARG A 46 0.266 -0.310 6.919 1.00 0.00 C ATOM 732 O ARG A 46 1.246 -0.065 6.242 1.00 0.00 O ATOM 733 CB ARG A 46 -2.181 0.196 6.957 1.00 0.00 C ATOM 734 CG ARG A 46 -1.905 1.687 6.754 1.00 0.00 C ATOM 735 CD ARG A 46 -2.937 2.507 7.531 1.00 0.00 C ATOM 736 NE ARG A 46 -2.708 2.336 8.994 1.00 0.00 N ATOM 737 CZ ARG A 46 -1.801 3.049 9.600 1.00 0.00 C ATOM 738 NH1 ARG A 46 -1.092 3.915 8.926 1.00 0.00 N ATOM 739 NH2 ARG A 46 -1.601 2.899 10.881 1.00 0.00 N ATOM 0 H ARG A 46 -1.365 -2.424 7.384 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.049 -0.370 5.214 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.156 -0.064 6.544 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.214 -0.037 8.021 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.899 1.931 7.095 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.951 1.935 5.694 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.859 3.560 7.260 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.945 2.185 7.270 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.262 1.661 9.521 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.248 4.033 7.925 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.382 4.473 9.401 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.155 2.224 11.408 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.891 3.457 11.355 1.00 0.00 H new ATOM 753 N SER A 47 0.326 -0.315 8.222 1.00 0.00 N ATOM 754 CA SER A 47 1.616 -0.024 8.909 1.00 0.00 C ATOM 755 C SER A 47 2.776 -0.276 7.945 1.00 0.00 C ATOM 756 O SER A 47 2.856 -1.307 7.309 1.00 0.00 O ATOM 757 CB SER A 47 1.762 -0.934 10.128 1.00 0.00 C ATOM 758 OG SER A 47 0.469 -1.260 10.627 1.00 0.00 O ATOM 0 H SER A 47 -0.462 -0.508 8.841 1.00 0.00 H new ATOM 0 HA SER A 47 1.629 1.018 9.229 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.300 -1.842 9.856 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.348 -0.436 10.900 1.00 0.00 H new ATOM 0 HG SER A 47 0.558 -1.845 11.408 1.00 0.00 H new ATOM 764 N LYS A 48 3.677 0.662 7.828 1.00 0.00 N ATOM 765 CA LYS A 48 4.833 0.473 6.906 1.00 0.00 C ATOM 766 C LYS A 48 5.713 -0.668 7.418 1.00 0.00 C ATOM 767 O LYS A 48 6.169 -1.501 6.658 1.00 0.00 O ATOM 768 CB LYS A 48 5.654 1.764 6.849 1.00 0.00 C ATOM 769 CG LYS A 48 5.927 2.130 5.389 1.00 0.00 C ATOM 770 CD LYS A 48 6.892 3.317 5.331 1.00 0.00 C ATOM 771 CE LYS A 48 7.412 3.484 3.903 1.00 0.00 C ATOM 772 NZ LYS A 48 8.011 2.201 3.438 1.00 0.00 N ATOM 0 H LYS A 48 3.662 1.550 8.330 1.00 0.00 H new ATOM 0 HA LYS A 48 4.467 0.229 5.909 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.115 2.572 7.343 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.594 1.634 7.384 1.00 0.00 H new ATOM 0 HG2 LYS A 48 6.353 1.276 4.863 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.994 2.382 4.886 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.386 4.227 5.653 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.725 3.156 6.016 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.598 3.779 3.241 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.156 4.279 3.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.760 2.399 2.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.416 1.693 4.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.275 1.615 2.994 1.00 0.00 H new ATOM 786 N PRO A 49 5.947 -0.703 8.702 1.00 0.00 N ATOM 787 CA PRO A 49 6.795 -1.750 9.341 1.00 0.00 C ATOM 788 C PRO A 49 6.315 -3.166 9.011 1.00 0.00 C ATOM 789 O PRO A 49 7.084 -4.014 8.609 1.00 0.00 O ATOM 790 CB PRO A 49 6.652 -1.472 10.838 1.00 0.00 C ATOM 791 CG PRO A 49 6.254 -0.036 10.940 1.00 0.00 C ATOM 792 CD PRO A 49 5.424 0.257 9.686 1.00 0.00 C ATOM 0 HA PRO A 49 7.825 -1.707 8.987 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.900 -2.121 11.288 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.589 -1.658 11.363 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.673 0.146 11.844 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.130 0.610 10.989 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.359 0.110 9.865 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.551 1.286 9.351 1.00 0.00 H new ATOM 800 N GLN A 50 5.046 -3.426 9.179 1.00 0.00 N ATOM 801 CA GLN A 50 4.518 -4.784 8.870 1.00 0.00 C ATOM 802 C GLN A 50 4.587 -5.029 7.361 1.00 0.00 C ATOM 803 O GLN A 50 4.811 -6.135 6.911 1.00 0.00 O ATOM 804 CB GLN A 50 3.063 -4.883 9.337 1.00 0.00 C ATOM 805 CG GLN A 50 2.137 -4.376 8.230 1.00 0.00 C ATOM 806 CD GLN A 50 0.743 -4.123 8.806 1.00 0.00 C ATOM 807 OE1 GLN A 50 -0.144 -3.673 8.108 1.00 0.00 O ATOM 808 NE2 GLN A 50 0.511 -4.396 10.062 1.00 0.00 N ATOM 0 H GLN A 50 4.354 -2.757 9.516 1.00 0.00 H new ATOM 0 HA GLN A 50 5.118 -5.533 9.386 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.819 -5.916 9.585 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.920 -4.295 10.243 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.536 -3.458 7.800 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.082 -5.108 7.424 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.256 -4.774 10.648 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.415 -4.231 10.457 1.00 0.00 H new ATOM 817 N LEU A 51 4.400 -4.003 6.576 1.00 0.00 N ATOM 818 CA LEU A 51 4.462 -4.176 5.097 1.00 0.00 C ATOM 819 C LEU A 51 5.865 -4.636 4.696 1.00 0.00 C ATOM 820 O LEU A 51 6.030 -5.523 3.884 1.00 0.00 O ATOM 821 CB LEU A 51 4.148 -2.844 4.414 1.00 0.00 C ATOM 822 CG LEU A 51 4.295 -2.999 2.899 1.00 0.00 C ATOM 823 CD1 LEU A 51 3.218 -2.172 2.194 1.00 0.00 C ATOM 824 CD2 LEU A 51 5.678 -2.505 2.471 1.00 0.00 C ATOM 0 H LEU A 51 4.207 -3.053 6.895 1.00 0.00 H new ATOM 0 HA LEU A 51 3.732 -4.924 4.788 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.135 -2.527 4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.822 -2.069 4.778 1.00 0.00 H new ATOM 0 HG LEU A 51 4.182 -4.049 2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.323 -2.282 1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.232 -2.522 2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.331 -1.122 2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.786 -2.614 1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.789 -1.455 2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.446 -3.093 2.974 1.00 0.00 H new ATOM 836 N ALA A 52 6.879 -4.037 5.260 1.00 0.00 N ATOM 837 CA ALA A 52 8.270 -4.441 4.910 1.00 0.00 C ATOM 838 C ALA A 52 8.554 -5.835 5.473 1.00 0.00 C ATOM 839 O ALA A 52 9.183 -6.655 4.834 1.00 0.00 O ATOM 840 CB ALA A 52 9.257 -3.438 5.510 1.00 0.00 C ATOM 0 H ALA A 52 6.804 -3.287 5.947 1.00 0.00 H new ATOM 0 HA ALA A 52 8.382 -4.458 3.826 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.275 -3.732 5.255 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.055 -2.445 5.109 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.145 -3.421 6.594 1.00 0.00 H new ATOM 846 N ARG A 53 8.098 -6.109 6.664 1.00 0.00 N ATOM 847 CA ARG A 53 8.341 -7.450 7.264 1.00 0.00 C ATOM 848 C ARG A 53 7.754 -8.531 6.355 1.00 0.00 C ATOM 849 O ARG A 53 8.372 -9.547 6.102 1.00 0.00 O ATOM 850 CB ARG A 53 7.674 -7.523 8.640 1.00 0.00 C ATOM 851 CG ARG A 53 7.985 -8.873 9.288 1.00 0.00 C ATOM 852 CD ARG A 53 7.303 -8.952 10.655 1.00 0.00 C ATOM 853 NE ARG A 53 5.825 -8.886 10.477 1.00 0.00 N ATOM 854 CZ ARG A 53 5.142 -9.979 10.271 1.00 0.00 C ATOM 855 NH1 ARG A 53 5.754 -11.130 10.219 1.00 0.00 N ATOM 856 NH2 ARG A 53 3.847 -9.919 10.116 1.00 0.00 N ATOM 0 H ARG A 53 7.568 -5.462 7.247 1.00 0.00 H new ATOM 0 HA ARG A 53 9.414 -7.610 7.371 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.034 -6.712 9.274 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.596 -7.395 8.540 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.637 -9.684 8.649 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.062 -8.995 9.400 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.578 -9.879 11.158 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.641 -8.133 11.290 1.00 0.00 H new ATOM 0 HE ARG A 53 5.347 -7.986 10.516 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.766 -11.175 10.339 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.221 -11.984 10.058 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.370 -9.018 10.156 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.313 -10.773 9.955 1.00 0.00 H new ATOM 870 N TYR A 54 6.564 -8.322 5.861 1.00 0.00 N ATOM 871 CA TYR A 54 5.943 -9.333 4.960 1.00 0.00 C ATOM 872 C TYR A 54 6.830 -9.537 3.732 1.00 0.00 C ATOM 873 O TYR A 54 7.164 -10.648 3.370 1.00 0.00 O ATOM 874 CB TYR A 54 4.562 -8.843 4.518 1.00 0.00 C ATOM 875 CG TYR A 54 3.936 -9.865 3.600 1.00 0.00 C ATOM 876 CD1 TYR A 54 4.252 -9.867 2.236 1.00 0.00 C ATOM 877 CD2 TYR A 54 3.038 -10.808 4.112 1.00 0.00 C ATOM 878 CE1 TYR A 54 3.671 -10.815 1.385 1.00 0.00 C ATOM 879 CE2 TYR A 54 2.456 -11.757 3.261 1.00 0.00 C ATOM 880 CZ TYR A 54 2.773 -11.758 1.897 1.00 0.00 C ATOM 881 OH TYR A 54 2.200 -12.693 1.058 1.00 0.00 O ATOM 0 H TYR A 54 5.995 -7.495 6.043 1.00 0.00 H new ATOM 0 HA TYR A 54 5.839 -10.278 5.493 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.926 -8.682 5.388 1.00 0.00 H new ATOM 0 HB3 TYR A 54 4.651 -7.885 4.006 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.943 -9.138 1.841 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.793 -10.804 5.164 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.916 -10.818 0.333 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.764 -12.486 3.656 1.00 0.00 H new ATOM 0 HH TYR A 54 1.602 -13.273 1.574 1.00 0.00 H new ATOM 891 N LEU A 55 7.214 -8.470 3.082 1.00 0.00 N ATOM 892 CA LEU A 55 8.093 -8.602 1.886 1.00 0.00 C ATOM 893 C LEU A 55 9.384 -9.323 2.279 1.00 0.00 C ATOM 894 O LEU A 55 9.862 -10.189 1.574 1.00 0.00 O ATOM 895 CB LEU A 55 8.429 -7.211 1.345 1.00 0.00 C ATOM 896 CG LEU A 55 7.191 -6.610 0.679 1.00 0.00 C ATOM 897 CD1 LEU A 55 7.471 -5.156 0.296 1.00 0.00 C ATOM 898 CD2 LEU A 55 6.852 -7.410 -0.581 1.00 0.00 C ATOM 0 H LEU A 55 6.957 -7.514 3.328 1.00 0.00 H new ATOM 0 HA LEU A 55 7.577 -9.176 1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.768 -6.566 2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.246 -7.276 0.626 1.00 0.00 H new ATOM 0 HG LEU A 55 6.352 -6.648 1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.588 -4.728 -0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.714 -4.584 1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.311 -5.118 -0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.969 -6.983 -1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.693 -7.371 -1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.652 -8.447 -0.311 1.00 0.00 H new ATOM 910 N GLY A 56 9.953 -8.972 3.401 1.00 0.00 N ATOM 911 CA GLY A 56 11.202 -9.653 3.847 1.00 0.00 C ATOM 912 C GLY A 56 12.333 -9.340 2.866 1.00 0.00 C ATOM 913 O GLY A 56 12.624 -10.111 1.973 1.00 0.00 O ATOM 0 H GLY A 56 9.607 -8.244 4.027 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.473 -9.319 4.849 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.042 -10.730 3.902 1.00 0.00 H new ATOM 917 N GLY A 57 12.974 -8.214 3.024 1.00 0.00 N ATOM 918 CA GLY A 57 14.100 -7.863 2.112 1.00 0.00 C ATOM 919 C GLY A 57 13.706 -8.180 0.668 1.00 0.00 C ATOM 920 O GLY A 57 14.184 -9.130 0.079 1.00 0.00 O ATOM 0 H GLY A 57 12.767 -7.522 3.745 1.00 0.00 H new ATOM 0 HA2 GLY A 57 14.345 -6.805 2.209 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.993 -8.423 2.388 1.00 0.00 H new ATOM 924 N SER A 58 12.839 -7.394 0.093 1.00 0.00 N ATOM 925 CA SER A 58 12.423 -7.646 -1.316 1.00 0.00 C ATOM 926 C SER A 58 12.784 -6.435 -2.180 1.00 0.00 C ATOM 927 O SER A 58 12.996 -6.550 -3.369 1.00 0.00 O ATOM 928 CB SER A 58 10.913 -7.877 -1.369 1.00 0.00 C ATOM 929 OG SER A 58 10.543 -8.797 -0.349 1.00 0.00 O ATOM 0 H SER A 58 12.400 -6.588 0.538 1.00 0.00 H new ATOM 0 HA SER A 58 12.939 -8.529 -1.694 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.384 -6.934 -1.233 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.627 -8.265 -2.346 1.00 0.00 H new ATOM 0 HG SER A 58 9.679 -9.202 -0.572 1.00 0.00 H new ATOM 935 N MET A 59 12.853 -5.273 -1.588 1.00 0.00 N ATOM 936 CA MET A 59 13.201 -4.058 -2.375 1.00 0.00 C ATOM 937 C MET A 59 13.475 -2.892 -1.421 1.00 0.00 C ATOM 938 O MET A 59 13.065 -2.906 -0.277 1.00 0.00 O ATOM 939 CB MET A 59 12.035 -3.696 -3.298 1.00 0.00 C ATOM 940 CG MET A 59 10.727 -4.206 -2.691 1.00 0.00 C ATOM 941 SD MET A 59 9.355 -3.171 -3.258 1.00 0.00 S ATOM 942 CE MET A 59 9.399 -3.667 -4.997 1.00 0.00 C ATOM 0 H MET A 59 12.683 -5.114 -0.595 1.00 0.00 H new ATOM 0 HA MET A 59 14.091 -4.256 -2.973 1.00 0.00 H new ATOM 0 HB2 MET A 59 11.988 -2.616 -3.435 1.00 0.00 H new ATOM 0 HB3 MET A 59 12.187 -4.136 -4.283 1.00 0.00 H new ATOM 0 HG2 MET A 59 10.559 -5.243 -2.982 1.00 0.00 H new ATOM 0 HG3 MET A 59 10.786 -4.186 -1.603 1.00 0.00 H new ATOM 0 HE1 MET A 59 8.526 -3.266 -5.512 1.00 0.00 H new ATOM 0 HE2 MET A 59 10.305 -3.280 -5.463 1.00 0.00 H new ATOM 0 HE3 MET A 59 9.392 -4.755 -5.065 1.00 0.00 H new ATOM 952 N ASP A 60 14.166 -1.886 -1.882 1.00 0.00 N ATOM 953 CA ASP A 60 14.464 -0.722 -1.001 1.00 0.00 C ATOM 954 C ASP A 60 13.247 0.204 -0.949 1.00 0.00 C ATOM 955 O ASP A 60 13.090 1.084 -1.772 1.00 0.00 O ATOM 956 CB ASP A 60 15.666 0.045 -1.557 1.00 0.00 C ATOM 957 CG ASP A 60 16.152 1.055 -0.517 1.00 0.00 C ATOM 958 OD1 ASP A 60 15.408 1.327 0.411 1.00 0.00 O ATOM 959 OD2 ASP A 60 17.262 1.541 -0.666 1.00 0.00 O ATOM 0 H ASP A 60 14.537 -1.820 -2.830 1.00 0.00 H new ATOM 0 HA ASP A 60 14.693 -1.077 0.004 1.00 0.00 H new ATOM 0 HB2 ASP A 60 16.468 -0.648 -1.809 1.00 0.00 H new ATOM 0 HB3 ASP A 60 15.389 0.559 -2.477 1.00 0.00 H new ATOM 964 N LEU A 61 12.385 0.013 0.011 1.00 0.00 N ATOM 965 CA LEU A 61 11.178 0.883 0.113 1.00 0.00 C ATOM 966 C LEU A 61 11.404 1.941 1.195 1.00 0.00 C ATOM 967 O LEU A 61 10.557 2.773 1.448 1.00 0.00 O ATOM 968 CB LEU A 61 9.964 0.028 0.483 1.00 0.00 C ATOM 969 CG LEU A 61 9.669 -0.956 -0.650 1.00 0.00 C ATOM 970 CD1 LEU A 61 8.537 -1.895 -0.228 1.00 0.00 C ATOM 971 CD2 LEU A 61 9.247 -0.182 -1.900 1.00 0.00 C ATOM 0 H LEU A 61 12.463 -0.707 0.729 1.00 0.00 H new ATOM 0 HA LEU A 61 11.000 1.373 -0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.156 -0.514 1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.098 0.665 0.661 1.00 0.00 H new ATOM 0 HG LEU A 61 10.564 -1.539 -0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.326 -2.597 -1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.835 -2.447 0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.642 -1.312 -0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.037 -0.883 -2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.352 0.400 -1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.052 0.489 -2.202 1.00 0.00 H new ATOM 983 N SER A 62 12.543 1.917 1.834 1.00 0.00 N ATOM 984 CA SER A 62 12.821 2.924 2.896 1.00 0.00 C ATOM 985 C SER A 62 12.627 4.332 2.329 1.00 0.00 C ATOM 986 O SER A 62 12.250 5.248 3.031 1.00 0.00 O ATOM 987 CB SER A 62 14.263 2.766 3.381 1.00 0.00 C ATOM 988 OG SER A 62 14.673 3.962 4.033 1.00 0.00 O ATOM 0 H SER A 62 13.291 1.244 1.666 1.00 0.00 H new ATOM 0 HA SER A 62 12.136 2.771 3.730 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.338 1.921 4.065 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.921 2.553 2.538 1.00 0.00 H new ATOM 0 HG SER A 62 15.596 3.864 4.346 1.00 0.00 H new ATOM 994 N THR A 63 12.880 4.511 1.061 1.00 0.00 N ATOM 995 CA THR A 63 12.704 5.858 0.449 1.00 0.00 C ATOM 996 C THR A 63 11.291 5.974 -0.130 1.00 0.00 C ATOM 997 O THR A 63 10.982 6.896 -0.857 1.00 0.00 O ATOM 998 CB THR A 63 13.730 6.049 -0.670 1.00 0.00 C ATOM 999 OG1 THR A 63 13.514 5.074 -1.680 1.00 0.00 O ATOM 1000 CG2 THR A 63 15.141 5.894 -0.101 1.00 0.00 C ATOM 0 H THR A 63 13.201 3.783 0.423 1.00 0.00 H new ATOM 0 HA THR A 63 12.850 6.624 1.210 1.00 0.00 H new ATOM 0 HB THR A 63 13.621 7.045 -1.098 1.00 0.00 H new ATOM 0 HG1 THR A 63 14.169 5.196 -2.398 1.00 0.00 H new ATOM 0 HG21 THR A 63 15.872 6.030 -0.898 1.00 0.00 H new ATOM 0 HG22 THR A 63 15.305 6.643 0.674 1.00 0.00 H new ATOM 0 HG23 THR A 63 15.253 4.898 0.328 1.00 0.00 H new ATOM 1008 N PHE A 64 10.432 5.044 0.187 1.00 0.00 N ATOM 1009 CA PHE A 64 9.044 5.098 -0.349 1.00 0.00 C ATOM 1010 C PHE A 64 8.173 5.953 0.573 1.00 0.00 C ATOM 1011 O PHE A 64 8.176 5.785 1.776 1.00 0.00 O ATOM 1012 CB PHE A 64 8.470 3.682 -0.424 1.00 0.00 C ATOM 1013 CG PHE A 64 7.077 3.732 -1.005 1.00 0.00 C ATOM 1014 CD1 PHE A 64 6.890 4.072 -2.350 1.00 0.00 C ATOM 1015 CD2 PHE A 64 5.971 3.439 -0.198 1.00 0.00 C ATOM 1016 CE1 PHE A 64 5.599 4.119 -2.888 1.00 0.00 C ATOM 1017 CE2 PHE A 64 4.679 3.486 -0.735 1.00 0.00 C ATOM 1018 CZ PHE A 64 4.493 3.826 -2.081 1.00 0.00 C ATOM 0 H PHE A 64 10.632 4.249 0.794 1.00 0.00 H new ATOM 0 HA PHE A 64 9.058 5.538 -1.346 1.00 0.00 H new ATOM 0 HB2 PHE A 64 9.110 3.051 -1.041 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.445 3.235 0.570 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.743 4.298 -2.973 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.115 3.176 0.840 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.456 4.381 -3.926 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.826 3.260 -0.112 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.497 3.862 -2.496 1.00 0.00 H new ATOM 1028 N ASP A 65 7.427 6.869 0.019 1.00 0.00 N ATOM 1029 CA ASP A 65 6.563 7.739 0.866 1.00 0.00 C ATOM 1030 C ASP A 65 5.256 7.009 1.180 1.00 0.00 C ATOM 1031 O ASP A 65 4.462 6.731 0.303 1.00 0.00 O ATOM 1032 CB ASP A 65 6.254 9.037 0.116 1.00 0.00 C ATOM 1033 CG ASP A 65 5.409 9.951 1.004 1.00 0.00 C ATOM 1034 OD1 ASP A 65 4.822 9.450 1.948 1.00 0.00 O ATOM 1035 OD2 ASP A 65 5.362 11.138 0.724 1.00 0.00 O ATOM 0 H ASP A 65 7.378 7.053 -0.983 1.00 0.00 H new ATOM 0 HA ASP A 65 7.082 7.971 1.796 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.181 9.538 -0.162 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.721 8.817 -0.809 1.00 0.00 H new ATOM 1040 N PHE A 66 5.024 6.695 2.427 1.00 0.00 N ATOM 1041 CA PHE A 66 3.774 5.974 2.793 1.00 0.00 C ATOM 1042 C PHE A 66 2.594 6.944 2.751 1.00 0.00 C ATOM 1043 O PHE A 66 1.556 6.652 2.187 1.00 0.00 O ATOM 1044 CB PHE A 66 3.912 5.399 4.205 1.00 0.00 C ATOM 1045 CG PHE A 66 2.552 5.000 4.721 1.00 0.00 C ATOM 1046 CD1 PHE A 66 2.069 3.704 4.492 1.00 0.00 C ATOM 1047 CD2 PHE A 66 1.771 5.921 5.428 1.00 0.00 C ATOM 1048 CE1 PHE A 66 0.807 3.332 4.971 1.00 0.00 C ATOM 1049 CE2 PHE A 66 0.509 5.549 5.906 1.00 0.00 C ATOM 1050 CZ PHE A 66 0.027 4.256 5.677 1.00 0.00 C ATOM 0 H PHE A 66 5.647 6.907 3.206 1.00 0.00 H new ATOM 0 HA PHE A 66 3.602 5.163 2.085 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.576 4.535 4.194 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.362 6.138 4.868 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.670 2.992 3.946 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.142 6.920 5.605 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.435 2.333 4.796 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.093 6.261 6.452 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.947 3.970 6.045 1.00 0.00 H new ATOM 1060 N ARG A 67 2.739 8.098 3.342 1.00 0.00 N ATOM 1061 CA ARG A 67 1.617 9.078 3.355 1.00 0.00 C ATOM 1062 C ARG A 67 1.165 9.355 1.920 1.00 0.00 C ATOM 1063 O ARG A 67 -0.013 9.432 1.634 1.00 0.00 O ATOM 1064 CB ARG A 67 2.084 10.382 4.005 1.00 0.00 C ATOM 1065 CG ARG A 67 2.384 10.136 5.485 1.00 0.00 C ATOM 1066 CD ARG A 67 1.084 10.200 6.287 1.00 0.00 C ATOM 1067 NE ARG A 67 1.110 9.163 7.357 1.00 0.00 N ATOM 1068 CZ ARG A 67 1.771 9.381 8.461 1.00 0.00 C ATOM 1069 NH1 ARG A 67 2.411 10.506 8.627 1.00 0.00 N ATOM 1070 NH2 ARG A 67 1.795 8.473 9.398 1.00 0.00 N ATOM 0 H ARG A 67 3.588 8.405 3.817 1.00 0.00 H new ATOM 0 HA ARG A 67 0.784 8.668 3.925 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.975 10.754 3.499 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.316 11.148 3.901 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.856 9.162 5.614 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.088 10.882 5.853 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.964 11.190 6.728 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.230 10.038 5.629 1.00 0.00 H new ATOM 0 HE ARG A 67 0.611 8.283 7.227 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.395 11.215 7.894 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.928 10.676 9.490 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.297 7.592 9.268 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.312 8.644 10.261 1.00 0.00 H new ATOM 1084 N THR A 68 2.092 9.508 1.015 1.00 0.00 N ATOM 1085 CA THR A 68 1.716 9.792 -0.398 1.00 0.00 C ATOM 1086 C THR A 68 1.763 8.498 -1.209 1.00 0.00 C ATOM 1087 O THR A 68 1.260 8.426 -2.314 1.00 0.00 O ATOM 1088 CB THR A 68 2.698 10.805 -0.994 1.00 0.00 C ATOM 1089 OG1 THR A 68 3.971 10.193 -1.143 1.00 0.00 O ATOM 1090 CG2 THR A 68 2.814 12.013 -0.065 1.00 0.00 C ATOM 0 H THR A 68 3.095 9.449 1.193 1.00 0.00 H new ATOM 0 HA THR A 68 0.707 10.203 -0.429 1.00 0.00 H new ATOM 0 HB THR A 68 2.337 11.135 -1.968 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.637 10.875 -1.372 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.513 12.733 -0.490 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.836 12.480 0.048 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.176 11.688 0.911 1.00 0.00 H new ATOM 1098 N GLY A 69 2.363 7.470 -0.672 1.00 0.00 N ATOM 1099 CA GLY A 69 2.437 6.179 -1.412 1.00 0.00 C ATOM 1100 C GLY A 69 3.202 6.384 -2.721 1.00 0.00 C ATOM 1101 O GLY A 69 2.837 5.856 -3.753 1.00 0.00 O ATOM 0 H GLY A 69 2.805 7.469 0.247 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.935 5.426 -0.802 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.433 5.808 -1.619 1.00 0.00 H new ATOM 1105 N LYS A 70 4.260 7.145 -2.687 1.00 0.00 N ATOM 1106 CA LYS A 70 5.048 7.383 -3.930 1.00 0.00 C ATOM 1107 C LYS A 70 6.539 7.240 -3.624 1.00 0.00 C ATOM 1108 O LYS A 70 6.975 7.440 -2.507 1.00 0.00 O ATOM 1109 CB LYS A 70 4.766 8.793 -4.451 1.00 0.00 C ATOM 1110 CG LYS A 70 3.319 8.879 -4.938 1.00 0.00 C ATOM 1111 CD LYS A 70 3.031 10.296 -5.437 1.00 0.00 C ATOM 1112 CE LYS A 70 1.570 10.393 -5.886 1.00 0.00 C ATOM 1113 NZ LYS A 70 1.410 9.713 -7.202 1.00 0.00 N ATOM 0 H LYS A 70 4.614 7.613 -1.853 1.00 0.00 H new ATOM 0 HA LYS A 70 4.762 6.653 -4.687 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.939 9.525 -3.662 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.449 9.034 -5.265 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.150 8.159 -5.739 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.636 8.621 -4.129 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.228 11.019 -4.645 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.694 10.543 -6.266 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.919 9.931 -5.144 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.271 11.438 -5.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.531 9.157 -7.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.367 10.426 -7.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.220 9.081 -7.367 1.00 0.00 H new ATOM 1127 N MET A 71 7.326 6.895 -4.607 1.00 0.00 N ATOM 1128 CA MET A 71 8.790 6.743 -4.371 1.00 0.00 C ATOM 1129 C MET A 71 9.480 8.096 -4.557 1.00 0.00 C ATOM 1130 O MET A 71 9.335 8.742 -5.575 1.00 0.00 O ATOM 1131 CB MET A 71 9.365 5.734 -5.367 1.00 0.00 C ATOM 1132 CG MET A 71 10.843 5.493 -5.053 1.00 0.00 C ATOM 1133 SD MET A 71 11.453 4.111 -6.051 1.00 0.00 S ATOM 1134 CE MET A 71 11.575 2.900 -4.711 1.00 0.00 C ATOM 0 H MET A 71 7.019 6.712 -5.562 1.00 0.00 H new ATOM 0 HA MET A 71 8.960 6.386 -3.355 1.00 0.00 H new ATOM 0 HB2 MET A 71 8.813 4.796 -5.311 1.00 0.00 H new ATOM 0 HB3 MET A 71 9.255 6.108 -6.385 1.00 0.00 H new ATOM 0 HG2 MET A 71 11.422 6.392 -5.264 1.00 0.00 H new ATOM 0 HG3 MET A 71 10.970 5.274 -3.993 1.00 0.00 H new ATOM 0 HE1 MET A 71 11.713 1.904 -5.132 1.00 0.00 H new ATOM 0 HE2 MET A 71 12.425 3.146 -4.074 1.00 0.00 H new ATOM 0 HE3 MET A 71 10.660 2.919 -4.119 1.00 0.00 H new ATOM 1144 N LEU A 72 10.230 8.530 -3.581 1.00 0.00 N ATOM 1145 CA LEU A 72 10.929 9.839 -3.705 1.00 0.00 C ATOM 1146 C LEU A 72 12.389 9.681 -3.276 1.00 0.00 C ATOM 1147 CB LEU A 72 10.244 10.872 -2.808 1.00 0.00 C ATOM 1148 CG LEU A 72 8.824 11.129 -3.317 1.00 0.00 C ATOM 1149 CD1 LEU A 72 8.076 12.018 -2.321 1.00 0.00 C ATOM 1150 CD2 LEU A 72 8.891 11.832 -4.675 1.00 0.00 C ATOM 0 H LEU A 72 10.388 8.034 -2.704 1.00 0.00 H new ATOM 0 HA LEU A 72 10.888 10.174 -4.741 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.213 10.513 -1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.814 11.801 -2.804 1.00 0.00 H new ATOM 0 HG LEU A 72 8.298 10.180 -3.422 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.065 12.201 -2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.029 11.520 -1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 72 8.601 12.968 -2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.880 12.016 -5.040 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.417 12.781 -4.568 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.424 11.200 -5.386 1.00 0.00 H new