USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 365 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 10 CYS SG : rot 86:sc= -0.0206 USER MOD Set 1.2: A 13 CYS SG : rot -136:sc= -0.653 USER MOD Set 1.3: A 43 CYS SG : rot 141:sc= 0.239 USER MOD Set 1.4: A 46 CYS SG : rot -74:sc= -1.14 USER MOD Set 1.5: A 48 SER OG : rot 111:sc= 0.968 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= -1.69! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 83:sc= 1.28 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -132:sc= 0.396 (180deg=-1.28) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 52 GLN : amide:sc= -7.4! K(o=-7.4!,f=-2.5) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 88 N LYS A 7 -13.247 -14.534 9.363 1.00 0.00 N ATOM 89 CA LYS A 7 -12.516 -14.197 8.108 1.00 0.00 C ATOM 90 C LYS A 7 -11.290 -13.345 8.444 1.00 0.00 C ATOM 91 O LYS A 7 -11.410 -12.253 8.957 1.00 0.00 O ATOM 92 CB LYS A 7 -13.514 -13.398 7.268 1.00 0.00 C ATOM 93 CG LYS A 7 -14.760 -14.250 7.014 1.00 0.00 C ATOM 94 CD LYS A 7 -14.856 -14.586 5.524 1.00 0.00 C ATOM 95 CE LYS A 7 -16.288 -14.348 5.042 1.00 0.00 C ATOM 96 NZ LYS A 7 -16.378 -15.070 3.741 1.00 0.00 N ATOM 0 HA LYS A 7 -12.162 -15.081 7.577 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -13.788 -12.478 7.785 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -13.059 -13.108 6.321 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -14.712 -15.167 7.602 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -15.652 -13.712 7.334 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -14.161 -13.968 4.955 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.571 -15.624 5.355 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -17.015 -14.731 5.758 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -16.492 -13.284 4.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -17.333 -14.954 3.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -15.679 -14.679 3.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -16.185 -16.081 3.891 1.00 0.00 H new ATOM 110 N TYR A 8 -10.110 -13.841 8.177 1.00 0.00 N ATOM 111 CA TYR A 8 -8.885 -13.049 8.503 1.00 0.00 C ATOM 112 C TYR A 8 -8.171 -12.608 7.222 1.00 0.00 C ATOM 113 O TYR A 8 -8.145 -13.318 6.236 1.00 0.00 O ATOM 114 CB TYR A 8 -7.995 -13.998 9.309 1.00 0.00 C ATOM 115 CG TYR A 8 -8.427 -13.990 10.758 1.00 0.00 C ATOM 116 CD1 TYR A 8 -9.743 -14.322 11.094 1.00 0.00 C ATOM 117 CD2 TYR A 8 -7.512 -13.652 11.763 1.00 0.00 C ATOM 118 CE1 TYR A 8 -10.149 -14.318 12.432 1.00 0.00 C ATOM 119 CE2 TYR A 8 -7.918 -13.648 13.104 1.00 0.00 C ATOM 120 CZ TYR A 8 -9.236 -13.982 13.438 1.00 0.00 C ATOM 121 OH TYR A 8 -9.636 -13.978 14.759 1.00 0.00 O ATOM 0 H TYR A 8 -9.941 -14.752 7.751 1.00 0.00 H new ATOM 0 HA TYR A 8 -9.125 -12.142 9.058 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.063 -15.008 8.904 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -6.952 -13.691 9.228 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -10.448 -14.582 10.318 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -6.495 -13.395 11.505 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -11.166 -14.574 12.689 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.214 -13.387 13.880 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.880 -13.724 15.329 1.00 0.00 H new ATOM 131 N GLU A 9 -7.585 -11.442 7.236 1.00 0.00 N ATOM 132 CA GLU A 9 -6.865 -10.951 6.026 1.00 0.00 C ATOM 133 C GLU A 9 -5.368 -10.821 6.324 1.00 0.00 C ATOM 134 O GLU A 9 -4.973 -10.325 7.360 1.00 0.00 O ATOM 135 CB GLU A 9 -7.475 -9.581 5.729 1.00 0.00 C ATOM 136 CG GLU A 9 -7.261 -9.235 4.254 1.00 0.00 C ATOM 137 CD GLU A 9 -7.008 -7.733 4.112 1.00 0.00 C ATOM 138 OE1 GLU A 9 -6.260 -7.200 4.915 1.00 0.00 O ATOM 139 OE2 GLU A 9 -7.565 -7.142 3.202 1.00 0.00 O ATOM 0 H GLU A 9 -7.574 -10.807 8.034 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.964 -11.631 5.180 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.540 -9.587 5.961 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.015 -8.822 6.362 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.415 -9.796 3.857 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.136 -9.524 3.671 1.00 0.00 H new ATOM 146 N CYS A 10 -4.533 -11.267 5.426 1.00 0.00 N ATOM 147 CA CYS A 10 -3.063 -11.172 5.662 1.00 0.00 C ATOM 148 C CYS A 10 -2.580 -9.737 5.467 1.00 0.00 C ATOM 149 O CYS A 10 -2.585 -9.218 4.369 1.00 0.00 O ATOM 150 CB CYS A 10 -2.433 -12.070 4.602 1.00 0.00 C ATOM 151 SG CYS A 10 -0.781 -12.587 5.124 1.00 0.00 S ATOM 0 H CYS A 10 -4.804 -11.693 4.540 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.798 -11.470 6.677 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -3.061 -12.946 4.437 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.372 -11.537 3.653 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.873 -13.652 5.863 1.00 0.00 H new ATOM 156 N GLU A 11 -2.137 -9.100 6.513 1.00 0.00 N ATOM 157 CA GLU A 11 -1.628 -7.710 6.358 1.00 0.00 C ATOM 158 C GLU A 11 -0.300 -7.735 5.591 1.00 0.00 C ATOM 159 O GLU A 11 0.210 -6.712 5.178 1.00 0.00 O ATOM 160 CB GLU A 11 -1.408 -7.206 7.783 1.00 0.00 C ATOM 161 CG GLU A 11 -2.276 -5.970 8.029 1.00 0.00 C ATOM 162 CD GLU A 11 -1.715 -4.788 7.236 1.00 0.00 C ATOM 163 OE1 GLU A 11 -1.810 -4.816 6.021 1.00 0.00 O ATOM 164 OE2 GLU A 11 -1.199 -3.874 7.858 1.00 0.00 O ATOM 0 H GLU A 11 -2.105 -9.477 7.460 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.316 -7.071 5.805 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.660 -7.988 8.499 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.357 -6.961 7.935 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.305 -6.169 7.728 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.296 -5.732 9.092 1.00 0.00 H new ATOM 171 N ALA A 12 0.269 -8.899 5.411 1.00 0.00 N ATOM 172 CA ALA A 12 1.568 -8.994 4.690 1.00 0.00 C ATOM 173 C ALA A 12 1.364 -9.059 3.171 1.00 0.00 C ATOM 174 O ALA A 12 2.115 -8.466 2.420 1.00 0.00 O ATOM 175 CB ALA A 12 2.203 -10.290 5.195 1.00 0.00 C ATOM 0 H ALA A 12 -0.113 -9.788 5.734 1.00 0.00 H new ATOM 0 HA ALA A 12 2.192 -8.120 4.876 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.168 -10.435 4.710 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.344 -10.230 6.274 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.550 -11.131 4.961 1.00 0.00 H new ATOM 181 N CYS A 13 0.378 -9.781 2.698 1.00 0.00 N ATOM 182 CA CYS A 13 0.190 -9.866 1.219 1.00 0.00 C ATOM 183 C CYS A 13 -1.224 -9.427 0.805 1.00 0.00 C ATOM 184 O CYS A 13 -1.418 -8.866 -0.256 1.00 0.00 O ATOM 185 CB CYS A 13 0.481 -11.337 0.869 1.00 0.00 C ATOM 186 SG CYS A 13 -0.917 -12.416 1.292 1.00 0.00 S ATOM 0 H CYS A 13 -0.292 -10.305 3.260 1.00 0.00 H new ATOM 0 HA CYS A 13 0.854 -9.193 0.677 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.697 -11.422 -0.196 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.372 -11.669 1.403 1.00 0.00 H new ATOM 0 HG CYS A 13 -0.475 -13.490 1.876 1.00 0.00 H new ATOM 191 N GLY A 14 -2.207 -9.665 1.626 1.00 0.00 N ATOM 192 CA GLY A 14 -3.593 -9.243 1.264 1.00 0.00 C ATOM 193 C GLY A 14 -4.464 -10.476 1.004 1.00 0.00 C ATOM 194 O GLY A 14 -5.481 -10.402 0.343 1.00 0.00 O ATOM 0 H GLY A 14 -2.115 -10.131 2.529 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.023 -8.647 2.069 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.569 -8.610 0.377 1.00 0.00 H new ATOM 198 N TYR A 15 -4.077 -11.605 1.526 1.00 0.00 N ATOM 199 CA TYR A 15 -4.882 -12.842 1.319 1.00 0.00 C ATOM 200 C TYR A 15 -6.020 -12.897 2.345 1.00 0.00 C ATOM 201 O TYR A 15 -5.997 -12.215 3.350 1.00 0.00 O ATOM 202 CB TYR A 15 -3.892 -13.992 1.533 1.00 0.00 C ATOM 203 CG TYR A 15 -4.630 -15.311 1.563 1.00 0.00 C ATOM 204 CD1 TYR A 15 -5.117 -15.810 2.777 1.00 0.00 C ATOM 205 CD2 TYR A 15 -4.825 -16.035 0.380 1.00 0.00 C ATOM 206 CE1 TYR A 15 -5.799 -17.030 2.809 1.00 0.00 C ATOM 207 CE2 TYR A 15 -5.506 -17.257 0.412 1.00 0.00 C ATOM 208 CZ TYR A 15 -5.994 -17.755 1.627 1.00 0.00 C ATOM 209 OH TYR A 15 -6.665 -18.960 1.658 1.00 0.00 O ATOM 0 H TYR A 15 -3.235 -11.726 2.089 1.00 0.00 H new ATOM 0 HA TYR A 15 -5.344 -12.887 0.333 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.151 -13.999 0.733 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.351 -13.847 2.468 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -4.966 -15.252 3.689 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.450 -15.650 -0.557 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -6.176 -17.413 3.746 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.655 -17.816 -0.500 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.713 -19.331 0.752 1.00 0.00 H new ATOM 219 N ILE A 16 -7.015 -13.703 2.097 1.00 0.00 N ATOM 220 CA ILE A 16 -8.153 -13.798 3.055 1.00 0.00 C ATOM 221 C ILE A 16 -8.335 -15.253 3.509 1.00 0.00 C ATOM 222 O ILE A 16 -8.642 -16.126 2.722 1.00 0.00 O ATOM 223 CB ILE A 16 -9.372 -13.303 2.258 1.00 0.00 C ATOM 224 CG1 ILE A 16 -9.335 -11.775 2.172 1.00 0.00 C ATOM 225 CG2 ILE A 16 -10.675 -13.733 2.945 1.00 0.00 C ATOM 226 CD1 ILE A 16 -8.253 -11.343 1.182 1.00 0.00 C ATOM 0 H ILE A 16 -7.090 -14.300 1.273 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.999 -13.210 3.960 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.336 -13.738 1.259 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -10.306 -11.395 1.854 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.133 -11.350 3.155 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.527 -13.374 2.367 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.712 -14.821 3.008 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.714 -13.310 3.949 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.228 -10.255 1.122 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.284 -11.710 1.519 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.475 -11.756 0.198 1.00 0.00 H new ATOM 238 N TYR A 17 -8.151 -15.518 4.774 1.00 0.00 N ATOM 239 CA TYR A 17 -8.319 -16.911 5.275 1.00 0.00 C ATOM 240 C TYR A 17 -9.800 -17.201 5.542 1.00 0.00 C ATOM 241 O TYR A 17 -10.471 -16.470 6.247 1.00 0.00 O ATOM 242 CB TYR A 17 -7.515 -16.976 6.578 1.00 0.00 C ATOM 243 CG TYR A 17 -7.771 -18.300 7.265 1.00 0.00 C ATOM 244 CD1 TYR A 17 -7.183 -19.472 6.771 1.00 0.00 C ATOM 245 CD2 TYR A 17 -8.604 -18.355 8.389 1.00 0.00 C ATOM 246 CE1 TYR A 17 -7.429 -20.697 7.402 1.00 0.00 C ATOM 247 CE2 TYR A 17 -8.849 -19.582 9.020 1.00 0.00 C ATOM 248 CZ TYR A 17 -8.262 -20.752 8.526 1.00 0.00 C ATOM 249 OH TYR A 17 -8.502 -21.961 9.147 1.00 0.00 O ATOM 0 H TYR A 17 -7.892 -14.830 5.481 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.973 -17.650 4.552 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.452 -16.863 6.367 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.799 -16.153 7.234 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.540 -19.430 5.904 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -9.058 -17.452 8.770 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -6.976 -21.600 7.022 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.491 -19.624 9.888 1.00 0.00 H new ATOM 0 HH TYR A 17 -9.100 -21.823 9.911 1.00 0.00 H new ATOM 259 N GLU A 18 -10.301 -18.272 4.993 1.00 0.00 N ATOM 260 CA GLU A 18 -11.728 -18.634 5.215 1.00 0.00 C ATOM 261 C GLU A 18 -11.813 -19.830 6.172 1.00 0.00 C ATOM 262 O GLU A 18 -11.427 -20.926 5.816 1.00 0.00 O ATOM 263 CB GLU A 18 -12.254 -19.018 3.831 1.00 0.00 C ATOM 264 CG GLU A 18 -12.093 -17.834 2.876 1.00 0.00 C ATOM 265 CD GLU A 18 -12.224 -18.322 1.431 1.00 0.00 C ATOM 266 OE1 GLU A 18 -11.277 -18.912 0.937 1.00 0.00 O ATOM 267 OE2 GLU A 18 -13.270 -18.098 0.844 1.00 0.00 O ATOM 0 H GLU A 18 -9.780 -18.915 4.397 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.304 -17.822 5.658 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.709 -19.882 3.450 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.303 -19.306 3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.850 -17.078 3.086 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.122 -17.362 3.025 1.00 0.00 H new ATOM 274 N PRO A 19 -12.308 -19.588 7.361 1.00 0.00 N ATOM 275 CA PRO A 19 -12.426 -20.679 8.360 1.00 0.00 C ATOM 276 C PRO A 19 -13.511 -21.670 7.954 1.00 0.00 C ATOM 277 O PRO A 19 -13.246 -22.828 7.694 1.00 0.00 O ATOM 278 CB PRO A 19 -12.795 -19.953 9.647 1.00 0.00 C ATOM 279 CG PRO A 19 -13.417 -18.663 9.215 1.00 0.00 C ATOM 280 CD PRO A 19 -12.805 -18.306 7.884 1.00 0.00 C ATOM 0 HA PRO A 19 -11.513 -21.266 8.459 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.490 -20.543 10.245 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.914 -19.776 10.264 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.499 -18.766 9.128 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.230 -17.879 9.949 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.540 -17.861 7.214 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -11.998 -17.582 7.998 1.00 0.00 H new ATOM 288 N GLU A 20 -14.727 -21.219 7.899 1.00 0.00 N ATOM 289 CA GLU A 20 -15.855 -22.120 7.511 1.00 0.00 C ATOM 290 C GLU A 20 -15.489 -22.935 6.263 1.00 0.00 C ATOM 291 O GLU A 20 -15.999 -24.017 6.047 1.00 0.00 O ATOM 292 CB GLU A 20 -17.028 -21.184 7.217 1.00 0.00 C ATOM 293 CG GLU A 20 -18.338 -21.967 7.318 1.00 0.00 C ATOM 294 CD GLU A 20 -19.271 -21.278 8.316 1.00 0.00 C ATOM 295 OE1 GLU A 20 -18.791 -20.868 9.360 1.00 0.00 O ATOM 296 OE2 GLU A 20 -20.450 -21.172 8.020 1.00 0.00 O ATOM 0 H GLU A 20 -14.997 -20.258 8.107 1.00 0.00 H new ATOM 0 HA GLU A 20 -16.093 -22.839 8.295 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -17.032 -20.354 7.924 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -16.924 -20.754 6.221 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -18.815 -22.026 6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -18.139 -22.990 7.637 1.00 0.00 H new ATOM 303 N LYS A 21 -14.605 -22.428 5.446 1.00 0.00 N ATOM 304 CA LYS A 21 -14.203 -23.179 4.224 1.00 0.00 C ATOM 305 C LYS A 21 -12.931 -23.984 4.498 1.00 0.00 C ATOM 306 O LYS A 21 -12.723 -25.044 3.943 1.00 0.00 O ATOM 307 CB LYS A 21 -13.945 -22.111 3.163 1.00 0.00 C ATOM 308 CG LYS A 21 -14.564 -22.554 1.835 1.00 0.00 C ATOM 309 CD LYS A 21 -14.563 -21.380 0.854 1.00 0.00 C ATOM 310 CE LYS A 21 -13.157 -21.196 0.278 1.00 0.00 C ATOM 311 NZ LYS A 21 -13.129 -22.055 -0.940 1.00 0.00 N ATOM 0 H LYS A 21 -14.145 -21.527 5.573 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.967 -23.888 3.905 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.374 -21.159 3.477 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.873 -21.954 3.043 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.000 -23.389 1.420 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.583 -22.906 1.996 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.276 -21.564 0.050 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.882 -20.469 1.360 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.964 -20.152 0.030 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.393 -21.500 0.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.196 -21.984 -1.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.309 -23.044 -0.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.862 -21.738 -1.606 1.00 0.00 H new ATOM 325 N GLY A 22 -12.083 -23.491 5.360 1.00 0.00 N ATOM 326 CA GLY A 22 -10.830 -24.232 5.679 1.00 0.00 C ATOM 327 C GLY A 22 -9.743 -23.881 4.662 1.00 0.00 C ATOM 328 O GLY A 22 -10.022 -23.530 3.533 1.00 0.00 O ATOM 0 H GLY A 22 -12.204 -22.608 5.856 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.494 -23.979 6.685 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.019 -25.305 5.666 1.00 0.00 H new ATOM 332 N ASP A 23 -8.503 -23.990 5.053 1.00 0.00 N ATOM 333 CA ASP A 23 -7.391 -23.677 4.115 1.00 0.00 C ATOM 334 C ASP A 23 -7.074 -24.912 3.272 1.00 0.00 C ATOM 335 O ASP A 23 -5.983 -25.443 3.312 1.00 0.00 O ATOM 336 CB ASP A 23 -6.204 -23.310 5.008 1.00 0.00 C ATOM 337 CG ASP A 23 -5.684 -21.924 4.620 1.00 0.00 C ATOM 338 OD1 ASP A 23 -5.697 -21.618 3.438 1.00 0.00 O ATOM 339 OD2 ASP A 23 -5.282 -21.192 5.509 1.00 0.00 O ATOM 0 H ASP A 23 -8.212 -24.284 5.986 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.636 -22.868 3.427 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.507 -23.317 6.055 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.412 -24.051 4.901 1.00 0.00 H new ATOM 344 N LYS A 24 -8.032 -25.376 2.516 1.00 0.00 N ATOM 345 CA LYS A 24 -7.809 -26.584 1.665 1.00 0.00 C ATOM 346 C LYS A 24 -6.485 -26.472 0.903 1.00 0.00 C ATOM 347 O LYS A 24 -5.871 -27.461 0.554 1.00 0.00 O ATOM 348 CB LYS A 24 -8.987 -26.598 0.692 1.00 0.00 C ATOM 349 CG LYS A 24 -10.122 -27.441 1.276 1.00 0.00 C ATOM 350 CD LYS A 24 -10.777 -28.258 0.162 1.00 0.00 C ATOM 351 CE LYS A 24 -10.023 -29.577 -0.015 1.00 0.00 C ATOM 352 NZ LYS A 24 -10.919 -30.421 -0.855 1.00 0.00 N ATOM 0 H LYS A 24 -8.965 -24.969 2.450 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.751 -27.498 2.257 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.333 -25.581 0.509 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.674 -27.006 -0.269 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.735 -28.105 2.049 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.861 -26.796 1.751 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.821 -28.454 0.406 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.768 -27.694 -0.771 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.060 -29.419 -0.500 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.822 -30.049 0.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.471 -31.345 -1.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.826 -30.559 -0.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.087 -29.949 -1.766 1.00 0.00 H new ATOM 366 N PHE A 25 -6.039 -25.273 0.643 1.00 0.00 N ATOM 367 CA PHE A 25 -4.754 -25.100 -0.094 1.00 0.00 C ATOM 368 C PHE A 25 -3.569 -25.254 0.865 1.00 0.00 C ATOM 369 O PHE A 25 -2.465 -25.558 0.457 1.00 0.00 O ATOM 370 CB PHE A 25 -4.809 -23.682 -0.662 1.00 0.00 C ATOM 371 CG PHE A 25 -5.563 -23.695 -1.970 1.00 0.00 C ATOM 372 CD1 PHE A 25 -6.958 -23.581 -1.976 1.00 0.00 C ATOM 373 CD2 PHE A 25 -4.867 -23.821 -3.177 1.00 0.00 C ATOM 374 CE1 PHE A 25 -7.657 -23.594 -3.189 1.00 0.00 C ATOM 375 CE2 PHE A 25 -5.565 -23.834 -4.391 1.00 0.00 C ATOM 376 CZ PHE A 25 -6.960 -23.720 -4.397 1.00 0.00 C ATOM 0 H PHE A 25 -6.508 -24.407 0.908 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.624 -25.845 -0.879 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.299 -23.013 0.046 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.800 -23.300 -0.815 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -7.495 -23.483 -1.044 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.791 -23.908 -3.173 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -8.733 -23.507 -3.193 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.027 -23.932 -5.322 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.499 -23.729 -5.333 1.00 0.00 H new ATOM 386 N ALA A 26 -3.789 -25.052 2.136 1.00 0.00 N ATOM 387 CA ALA A 26 -2.674 -25.192 3.118 1.00 0.00 C ATOM 388 C ALA A 26 -2.756 -26.553 3.813 1.00 0.00 C ATOM 389 O ALA A 26 -1.763 -27.103 4.245 1.00 0.00 O ATOM 390 CB ALA A 26 -2.884 -24.063 4.126 1.00 0.00 C ATOM 0 H ALA A 26 -4.691 -24.796 2.537 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.695 -25.133 2.642 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.100 -24.100 4.883 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.846 -23.103 3.611 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.856 -24.179 4.605 1.00 0.00 H new ATOM 396 N GLY A 27 -3.935 -27.103 3.919 1.00 0.00 N ATOM 397 CA GLY A 27 -4.079 -28.432 4.579 1.00 0.00 C ATOM 398 C GLY A 27 -5.053 -28.331 5.758 1.00 0.00 C ATOM 399 O GLY A 27 -4.953 -29.069 6.718 1.00 0.00 O ATOM 0 H GLY A 27 -4.803 -26.691 3.578 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.441 -29.167 3.860 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.107 -28.780 4.929 1.00 0.00 H new ATOM 403 N ILE A 28 -5.999 -27.431 5.696 1.00 0.00 N ATOM 404 CA ILE A 28 -6.976 -27.300 6.815 1.00 0.00 C ATOM 405 C ILE A 28 -8.409 -27.419 6.269 1.00 0.00 C ATOM 406 O ILE A 28 -8.793 -26.672 5.392 1.00 0.00 O ATOM 407 CB ILE A 28 -6.724 -25.903 7.392 1.00 0.00 C ATOM 408 CG1 ILE A 28 -5.366 -25.880 8.094 1.00 0.00 C ATOM 409 CG2 ILE A 28 -7.821 -25.552 8.403 1.00 0.00 C ATOM 410 CD1 ILE A 28 -4.617 -24.600 7.716 1.00 0.00 C ATOM 0 H ILE A 28 -6.137 -26.783 4.921 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.860 -28.075 7.572 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.733 -25.174 6.582 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.502 -25.928 9.174 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.782 -26.754 7.807 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.636 -24.558 8.810 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.791 -25.567 7.907 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.817 -26.282 9.213 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.649 -24.584 8.217 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.468 -24.571 6.637 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.200 -23.732 8.025 1.00 0.00 H new ATOM 422 N PRO A 29 -9.158 -28.356 6.803 1.00 0.00 N ATOM 423 CA PRO A 29 -10.558 -28.555 6.347 1.00 0.00 C ATOM 424 C PRO A 29 -11.434 -27.382 6.798 1.00 0.00 C ATOM 425 O PRO A 29 -10.984 -26.524 7.532 1.00 0.00 O ATOM 426 CB PRO A 29 -10.981 -29.850 7.036 1.00 0.00 C ATOM 427 CG PRO A 29 -10.097 -29.949 8.236 1.00 0.00 C ATOM 428 CD PRO A 29 -8.789 -29.306 7.863 1.00 0.00 C ATOM 0 HA PRO A 29 -10.654 -28.608 5.263 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -12.033 -29.822 7.321 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -10.852 -30.709 6.378 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -10.547 -29.444 9.091 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.949 -30.990 8.523 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -8.335 -28.799 8.714 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.068 -30.042 7.508 1.00 0.00 H new ATOM 436 N PRO A 30 -12.663 -27.377 6.342 1.00 0.00 N ATOM 437 CA PRO A 30 -13.600 -26.288 6.711 1.00 0.00 C ATOM 438 C PRO A 30 -13.983 -26.398 8.183 1.00 0.00 C ATOM 439 O PRO A 30 -13.337 -27.077 8.956 1.00 0.00 O ATOM 440 CB PRO A 30 -14.810 -26.531 5.816 1.00 0.00 C ATOM 441 CG PRO A 30 -14.755 -27.987 5.496 1.00 0.00 C ATOM 442 CD PRO A 30 -13.297 -28.366 5.458 1.00 0.00 C ATOM 0 HA PRO A 30 -13.175 -25.293 6.578 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -15.738 -26.272 6.325 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -14.762 -25.924 4.912 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -15.287 -28.569 6.248 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -15.233 -28.191 4.538 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.137 -29.384 5.814 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.895 -28.316 4.446 1.00 0.00 H new ATOM 450 N GLY A 31 -15.029 -25.731 8.576 1.00 0.00 N ATOM 451 CA GLY A 31 -15.465 -25.784 10.004 1.00 0.00 C ATOM 452 C GLY A 31 -14.264 -25.525 10.921 1.00 0.00 C ATOM 453 O GLY A 31 -14.233 -25.960 12.055 1.00 0.00 O ATOM 0 H GLY A 31 -15.606 -25.148 7.970 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.240 -25.040 10.185 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.900 -26.758 10.225 1.00 0.00 H new ATOM 457 N THR A 32 -13.275 -24.823 10.437 1.00 0.00 N ATOM 458 CA THR A 32 -12.078 -24.543 11.280 1.00 0.00 C ATOM 459 C THR A 32 -11.815 -23.030 11.345 1.00 0.00 C ATOM 460 O THR A 32 -11.615 -22.399 10.326 1.00 0.00 O ATOM 461 CB THR A 32 -10.922 -25.253 10.574 1.00 0.00 C ATOM 462 OG1 THR A 32 -11.221 -26.638 10.458 1.00 0.00 O ATOM 463 CG2 THR A 32 -9.640 -25.071 11.387 1.00 0.00 C ATOM 0 H THR A 32 -13.244 -24.432 9.495 1.00 0.00 H new ATOM 0 HA THR A 32 -12.207 -24.889 12.306 1.00 0.00 H new ATOM 0 HB THR A 32 -10.783 -24.827 9.580 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.785 -26.786 9.671 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.816 -25.577 10.884 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.414 -24.009 11.476 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.776 -25.498 12.381 1.00 0.00 H new ATOM 471 N PRO A 33 -11.823 -22.490 12.541 1.00 0.00 N ATOM 472 CA PRO A 33 -11.583 -21.036 12.714 1.00 0.00 C ATOM 473 C PRO A 33 -10.092 -20.712 12.561 1.00 0.00 C ATOM 474 O PRO A 33 -9.240 -21.562 12.726 1.00 0.00 O ATOM 475 CB PRO A 33 -12.045 -20.762 14.140 1.00 0.00 C ATOM 476 CG PRO A 33 -11.915 -22.071 14.855 1.00 0.00 C ATOM 477 CD PRO A 33 -12.057 -23.165 13.827 1.00 0.00 C ATOM 0 HA PRO A 33 -12.105 -20.430 11.974 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.432 -19.994 14.611 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.074 -20.404 14.158 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -10.950 -22.139 15.357 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.682 -22.166 15.624 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.334 -23.964 13.994 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -13.047 -23.619 13.863 1.00 0.00 H new ATOM 485 N PHE A 34 -9.775 -19.483 12.252 1.00 0.00 N ATOM 486 CA PHE A 34 -8.343 -19.092 12.095 1.00 0.00 C ATOM 487 C PHE A 34 -7.591 -19.315 13.416 1.00 0.00 C ATOM 488 O PHE A 34 -6.428 -19.666 13.427 1.00 0.00 O ATOM 489 CB PHE A 34 -8.394 -17.604 11.711 1.00 0.00 C ATOM 490 CG PHE A 34 -7.056 -16.936 11.954 1.00 0.00 C ATOM 491 CD1 PHE A 34 -6.086 -16.917 10.946 1.00 0.00 C ATOM 492 CD2 PHE A 34 -6.794 -16.333 13.189 1.00 0.00 C ATOM 493 CE1 PHE A 34 -4.852 -16.293 11.174 1.00 0.00 C ATOM 494 CE2 PHE A 34 -5.562 -15.709 13.418 1.00 0.00 C ATOM 495 CZ PHE A 34 -4.591 -15.689 12.411 1.00 0.00 C ATOM 0 H PHE A 34 -10.447 -18.731 12.101 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.815 -19.680 11.344 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.669 -17.505 10.661 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -9.167 -17.101 12.292 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.288 -17.383 9.993 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.543 -16.349 13.967 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.103 -16.278 10.397 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.361 -15.243 14.372 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.640 -15.208 12.587 1.00 0.00 H new ATOM 505 N VAL A 35 -8.247 -19.114 14.524 1.00 0.00 N ATOM 506 CA VAL A 35 -7.568 -19.314 15.837 1.00 0.00 C ATOM 507 C VAL A 35 -7.198 -20.790 16.032 1.00 0.00 C ATOM 508 O VAL A 35 -6.440 -21.136 16.916 1.00 0.00 O ATOM 509 CB VAL A 35 -8.591 -18.875 16.883 1.00 0.00 C ATOM 510 CG1 VAL A 35 -8.890 -17.384 16.712 1.00 0.00 C ATOM 511 CG2 VAL A 35 -9.881 -19.677 16.707 1.00 0.00 C ATOM 0 H VAL A 35 -9.222 -18.820 14.579 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.640 -18.746 15.909 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.187 -19.053 17.880 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.620 -17.071 17.459 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.971 -16.812 16.841 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.292 -17.206 15.715 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.610 -19.363 17.454 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.285 -19.502 15.710 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.669 -20.739 16.831 1.00 0.00 H new ATOM 521 N ASP A 36 -7.726 -21.665 15.216 1.00 0.00 N ATOM 522 CA ASP A 36 -7.398 -23.113 15.365 1.00 0.00 C ATOM 523 C ASP A 36 -6.237 -23.507 14.442 1.00 0.00 C ATOM 524 O ASP A 36 -5.710 -24.597 14.530 1.00 0.00 O ATOM 525 CB ASP A 36 -8.676 -23.848 14.960 1.00 0.00 C ATOM 526 CG ASP A 36 -9.214 -24.632 16.159 1.00 0.00 C ATOM 527 OD1 ASP A 36 -8.512 -25.511 16.630 1.00 0.00 O ATOM 528 OD2 ASP A 36 -10.318 -24.339 16.586 1.00 0.00 O ATOM 0 H ASP A 36 -8.368 -21.440 14.456 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.084 -23.358 16.380 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.424 -23.135 14.613 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.472 -24.525 14.131 1.00 0.00 H new ATOM 533 N LEU A 37 -5.833 -22.633 13.557 1.00 0.00 N ATOM 534 CA LEU A 37 -4.707 -22.972 12.640 1.00 0.00 C ATOM 535 C LEU A 37 -3.488 -23.426 13.446 1.00 0.00 C ATOM 536 O LEU A 37 -3.337 -23.088 14.604 1.00 0.00 O ATOM 537 CB LEU A 37 -4.402 -21.675 11.889 1.00 0.00 C ATOM 538 CG LEU A 37 -5.529 -21.378 10.897 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.200 -20.101 10.121 1.00 0.00 C ATOM 540 CD2 LEU A 37 -5.674 -22.546 9.917 1.00 0.00 C ATOM 0 H LEU A 37 -6.233 -21.703 13.431 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.959 -23.786 11.960 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.298 -20.850 12.594 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.453 -21.764 11.360 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.464 -21.245 11.441 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.002 -19.888 9.414 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.099 -19.268 10.817 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.264 -20.236 9.579 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.477 -22.332 9.212 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.740 -22.682 9.372 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.909 -23.457 10.468 1.00 0.00 H new ATOM 552 N SER A 38 -2.616 -24.190 12.846 1.00 0.00 N ATOM 553 CA SER A 38 -1.408 -24.663 13.583 1.00 0.00 C ATOM 554 C SER A 38 -0.672 -23.476 14.212 1.00 0.00 C ATOM 555 O SER A 38 -0.670 -22.383 13.680 1.00 0.00 O ATOM 556 CB SER A 38 -0.533 -25.335 12.525 1.00 0.00 C ATOM 557 OG SER A 38 0.298 -26.305 13.145 1.00 0.00 O ATOM 0 H SER A 38 -2.687 -24.507 11.879 1.00 0.00 H new ATOM 0 HA SER A 38 -1.662 -25.345 14.394 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.158 -25.807 11.767 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.078 -24.590 12.016 1.00 0.00 H new ATOM 0 HG SER A 38 0.858 -26.737 12.467 1.00 0.00 H new ATOM 563 N ASP A 39 -0.049 -23.681 15.338 1.00 0.00 N ATOM 564 CA ASP A 39 0.684 -22.564 15.999 1.00 0.00 C ATOM 565 C ASP A 39 1.675 -21.928 15.019 1.00 0.00 C ATOM 566 O ASP A 39 2.068 -20.788 15.172 1.00 0.00 O ATOM 567 CB ASP A 39 1.430 -23.214 17.165 1.00 0.00 C ATOM 568 CG ASP A 39 0.788 -22.783 18.485 1.00 0.00 C ATOM 569 OD1 ASP A 39 0.648 -21.588 18.691 1.00 0.00 O ATOM 570 OD2 ASP A 39 0.446 -23.654 19.268 1.00 0.00 O ATOM 0 H ASP A 39 -0.015 -24.574 15.830 1.00 0.00 H new ATOM 0 HA ASP A 39 0.014 -21.772 16.333 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.399 -24.299 17.071 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.480 -22.922 17.147 1.00 0.00 H new ATOM 575 N SER A 40 2.083 -22.656 14.015 1.00 0.00 N ATOM 576 CA SER A 40 3.051 -22.091 13.032 1.00 0.00 C ATOM 577 C SER A 40 2.481 -22.170 11.612 1.00 0.00 C ATOM 578 O SER A 40 3.146 -22.597 10.690 1.00 0.00 O ATOM 579 CB SER A 40 4.296 -22.968 13.157 1.00 0.00 C ATOM 580 OG SER A 40 3.949 -24.320 12.897 1.00 0.00 O ATOM 0 H SER A 40 1.789 -23.616 13.833 1.00 0.00 H new ATOM 0 HA SER A 40 3.267 -21.040 13.226 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.060 -22.636 12.454 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.720 -22.876 14.157 1.00 0.00 H new ATOM 0 HG SER A 40 4.747 -24.883 12.975 1.00 0.00 H new ATOM 586 N PHE A 41 1.254 -21.761 11.428 1.00 0.00 N ATOM 587 CA PHE A 41 0.649 -21.811 10.067 1.00 0.00 C ATOM 588 C PHE A 41 1.303 -20.753 9.167 1.00 0.00 C ATOM 589 O PHE A 41 1.664 -19.683 9.615 1.00 0.00 O ATOM 590 CB PHE A 41 -0.843 -21.511 10.288 1.00 0.00 C ATOM 591 CG PHE A 41 -1.514 -21.183 8.971 1.00 0.00 C ATOM 592 CD1 PHE A 41 -2.078 -22.204 8.198 1.00 0.00 C ATOM 593 CD2 PHE A 41 -1.565 -19.857 8.525 1.00 0.00 C ATOM 594 CE1 PHE A 41 -2.695 -21.899 6.980 1.00 0.00 C ATOM 595 CE2 PHE A 41 -2.180 -19.552 7.305 1.00 0.00 C ATOM 596 CZ PHE A 41 -2.746 -20.573 6.532 1.00 0.00 C ATOM 0 H PHE A 41 0.646 -21.395 12.161 1.00 0.00 H new ATOM 0 HA PHE A 41 0.794 -22.772 9.574 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.330 -22.371 10.747 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.954 -20.675 10.979 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.037 -23.227 8.542 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.130 -19.069 9.122 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.132 -22.687 6.385 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.218 -18.529 6.960 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.221 -20.338 5.591 1.00 0.00 H new ATOM 606 N MET A 42 1.452 -21.044 7.903 1.00 0.00 N ATOM 607 CA MET A 42 2.076 -20.050 6.980 1.00 0.00 C ATOM 608 C MET A 42 1.103 -19.702 5.850 1.00 0.00 C ATOM 609 O MET A 42 0.439 -20.559 5.302 1.00 0.00 O ATOM 610 CB MET A 42 3.327 -20.732 6.411 1.00 0.00 C ATOM 611 CG MET A 42 4.144 -21.363 7.544 1.00 0.00 C ATOM 612 SD MET A 42 5.792 -21.791 6.931 1.00 0.00 S ATOM 613 CE MET A 42 5.420 -23.496 6.450 1.00 0.00 C ATOM 0 H MET A 42 1.170 -21.923 7.470 1.00 0.00 H new ATOM 0 HA MET A 42 2.326 -19.123 7.495 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.038 -21.497 5.691 1.00 0.00 H new ATOM 0 HB3 MET A 42 3.936 -20.004 5.875 1.00 0.00 H new ATOM 0 HG2 MET A 42 4.224 -20.668 8.380 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.640 -22.254 7.918 1.00 0.00 H new ATOM 0 HE1 MET A 42 6.315 -23.961 6.037 1.00 0.00 H new ATOM 0 HE2 MET A 42 5.090 -24.057 7.324 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.630 -23.498 5.698 1.00 0.00 H new ATOM 623 N CYS A 43 1.016 -18.451 5.501 1.00 0.00 N ATOM 624 CA CYS A 43 0.090 -18.038 4.407 1.00 0.00 C ATOM 625 C CYS A 43 0.381 -18.842 3.134 1.00 0.00 C ATOM 626 O CYS A 43 1.523 -18.981 2.745 1.00 0.00 O ATOM 627 CB CYS A 43 0.407 -16.563 4.179 1.00 0.00 C ATOM 628 SG CYS A 43 -0.829 -15.817 3.090 1.00 0.00 S ATOM 0 H CYS A 43 1.548 -17.692 5.927 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.957 -18.208 4.660 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.426 -16.036 5.133 1.00 0.00 H new ATOM 0 HB3 CYS A 43 1.399 -16.461 3.739 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.111 -14.619 3.510 1.00 0.00 H new ATOM 633 N PRO A 44 -0.660 -19.340 2.513 1.00 0.00 N ATOM 634 CA PRO A 44 -0.484 -20.121 1.266 1.00 0.00 C ATOM 635 C PRO A 44 -0.197 -19.189 0.080 1.00 0.00 C ATOM 636 O PRO A 44 -0.012 -19.634 -1.036 1.00 0.00 O ATOM 637 CB PRO A 44 -1.826 -20.823 1.088 1.00 0.00 C ATOM 638 CG PRO A 44 -2.818 -19.966 1.812 1.00 0.00 C ATOM 639 CD PRO A 44 -2.075 -19.232 2.901 1.00 0.00 C ATOM 0 HA PRO A 44 0.354 -20.816 1.315 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -2.084 -20.918 0.033 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.801 -21.831 1.502 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.288 -19.261 1.126 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.615 -20.577 2.236 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.391 -18.191 2.966 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.255 -19.681 3.878 1.00 0.00 H new ATOM 647 N ALA A 45 -0.161 -17.900 0.306 1.00 0.00 N ATOM 648 CA ALA A 45 0.112 -16.957 -0.815 1.00 0.00 C ATOM 649 C ALA A 45 1.453 -16.253 -0.607 1.00 0.00 C ATOM 650 O ALA A 45 2.227 -16.087 -1.531 1.00 0.00 O ATOM 651 CB ALA A 45 -1.035 -15.946 -0.772 1.00 0.00 C ATOM 0 H ALA A 45 -0.309 -17.463 1.216 1.00 0.00 H new ATOM 0 HA ALA A 45 0.171 -17.469 -1.775 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.906 -15.215 -1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.984 -16.466 -0.906 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.034 -15.436 0.191 1.00 0.00 H new ATOM 657 N CYS A 46 1.737 -15.831 0.594 1.00 0.00 N ATOM 658 CA CYS A 46 3.031 -15.135 0.844 1.00 0.00 C ATOM 659 C CYS A 46 3.882 -15.898 1.886 1.00 0.00 C ATOM 660 O CYS A 46 4.944 -15.455 2.278 1.00 0.00 O ATOM 661 CB CYS A 46 2.631 -13.714 1.298 1.00 0.00 C ATOM 662 SG CYS A 46 2.303 -13.627 3.083 1.00 0.00 S ATOM 0 H CYS A 46 1.133 -15.937 1.409 1.00 0.00 H new ATOM 0 HA CYS A 46 3.668 -15.091 -0.039 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.428 -13.016 1.043 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.743 -13.397 0.752 1.00 0.00 H new ATOM 0 HG CYS A 46 1.162 -14.193 3.343 1.00 0.00 H new ATOM 667 N ARG A 47 3.433 -17.056 2.303 1.00 0.00 N ATOM 668 CA ARG A 47 4.215 -17.878 3.281 1.00 0.00 C ATOM 669 C ARG A 47 4.567 -17.101 4.558 1.00 0.00 C ATOM 670 O ARG A 47 5.519 -17.429 5.241 1.00 0.00 O ATOM 671 CB ARG A 47 5.488 -18.266 2.529 1.00 0.00 C ATOM 672 CG ARG A 47 5.187 -19.435 1.588 1.00 0.00 C ATOM 673 CD ARG A 47 6.488 -19.927 0.950 1.00 0.00 C ATOM 674 NE ARG A 47 6.171 -21.293 0.444 1.00 0.00 N ATOM 675 CZ ARG A 47 6.706 -21.717 -0.668 1.00 0.00 C ATOM 676 NH1 ARG A 47 7.981 -21.542 -0.888 1.00 0.00 N ATOM 677 NH2 ARG A 47 5.967 -22.318 -1.560 1.00 0.00 N ATOM 0 H ARG A 47 2.550 -17.472 2.005 1.00 0.00 H new ATOM 0 HA ARG A 47 3.635 -18.738 3.617 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.862 -17.414 1.961 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.270 -18.545 3.235 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.711 -20.246 2.139 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.486 -19.121 0.814 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.805 -19.269 0.141 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.300 -19.953 1.677 1.00 0.00 H new ATOM 0 HE ARG A 47 5.536 -21.896 0.967 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.559 -21.074 -0.190 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.399 -21.874 -1.757 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.971 -22.456 -1.388 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.385 -22.649 -2.429 1.00 0.00 H new ATOM 691 N SER A 48 3.813 -16.094 4.909 1.00 0.00 N ATOM 692 CA SER A 48 4.129 -15.342 6.161 1.00 0.00 C ATOM 693 C SER A 48 3.615 -16.126 7.376 1.00 0.00 C ATOM 694 O SER A 48 2.840 -17.049 7.227 1.00 0.00 O ATOM 695 CB SER A 48 3.391 -14.009 6.036 1.00 0.00 C ATOM 696 OG SER A 48 4.136 -13.132 5.203 1.00 0.00 O ATOM 0 H SER A 48 3.000 -15.761 4.390 1.00 0.00 H new ATOM 0 HA SER A 48 5.201 -15.194 6.294 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.397 -14.169 5.617 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.254 -13.563 7.021 1.00 0.00 H new ATOM 0 HG SER A 48 3.659 -13.000 4.357 1.00 0.00 H new ATOM 702 N PRO A 49 4.064 -15.738 8.545 1.00 0.00 N ATOM 703 CA PRO A 49 3.631 -16.430 9.786 1.00 0.00 C ATOM 704 C PRO A 49 2.161 -16.125 10.093 1.00 0.00 C ATOM 705 O PRO A 49 1.693 -15.019 9.912 1.00 0.00 O ATOM 706 CB PRO A 49 4.548 -15.848 10.859 1.00 0.00 C ATOM 707 CG PRO A 49 4.968 -14.516 10.326 1.00 0.00 C ATOM 708 CD PRO A 49 5.000 -14.638 8.825 1.00 0.00 C ATOM 0 HA PRO A 49 3.701 -17.515 9.716 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.027 -15.746 11.811 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.409 -16.493 11.035 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.270 -13.738 10.636 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.948 -14.237 10.712 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.687 -13.713 8.341 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.003 -14.864 8.463 1.00 0.00 H new ATOM 716 N LYS A 50 1.428 -17.103 10.554 1.00 0.00 N ATOM 717 CA LYS A 50 -0.014 -16.880 10.872 1.00 0.00 C ATOM 718 C LYS A 50 -0.183 -15.649 11.761 1.00 0.00 C ATOM 719 O LYS A 50 -1.224 -15.022 11.773 1.00 0.00 O ATOM 720 CB LYS A 50 -0.453 -18.147 11.609 1.00 0.00 C ATOM 721 CG LYS A 50 -1.980 -18.203 11.670 1.00 0.00 C ATOM 722 CD LYS A 50 -2.411 -19.113 12.825 1.00 0.00 C ATOM 723 CE LYS A 50 -3.735 -18.608 13.405 1.00 0.00 C ATOM 724 NZ LYS A 50 -3.944 -19.418 14.638 1.00 0.00 N ATOM 0 H LYS A 50 1.766 -18.050 10.725 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.611 -16.700 9.978 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.067 -19.029 11.098 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.038 -18.155 12.617 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.386 -17.201 11.811 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.379 -18.579 10.728 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.524 -20.138 12.472 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.643 -19.125 13.599 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.686 -17.544 13.635 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.554 -18.744 12.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.916 -19.788 14.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.271 -20.211 14.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.791 -18.821 15.476 1.00 0.00 H new ATOM 738 N ASN A 51 0.829 -15.286 12.496 1.00 0.00 N ATOM 739 CA ASN A 51 0.709 -14.084 13.364 1.00 0.00 C ATOM 740 C ASN A 51 0.561 -12.829 12.500 1.00 0.00 C ATOM 741 O ASN A 51 0.198 -11.774 12.979 1.00 0.00 O ATOM 742 CB ASN A 51 2.006 -14.038 14.170 1.00 0.00 C ATOM 743 CG ASN A 51 1.826 -13.104 15.369 1.00 0.00 C ATOM 744 OD1 ASN A 51 1.033 -13.373 16.249 1.00 0.00 O ATOM 745 ND2 ASN A 51 2.534 -12.011 15.440 1.00 0.00 N ATOM 0 H ASN A 51 1.728 -15.766 12.534 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.164 -14.128 14.015 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.271 -15.039 14.511 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.825 -13.688 13.542 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.422 -11.382 16.235 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.200 -11.786 14.701 1.00 0.00 H new ATOM 752 N GLN A 52 0.827 -12.938 11.224 1.00 0.00 N ATOM 753 CA GLN A 52 0.686 -11.754 10.334 1.00 0.00 C ATOM 754 C GLN A 52 -0.769 -11.622 9.862 1.00 0.00 C ATOM 755 O GLN A 52 -1.126 -10.676 9.183 1.00 0.00 O ATOM 756 CB GLN A 52 1.614 -12.035 9.151 1.00 0.00 C ATOM 757 CG GLN A 52 2.645 -10.911 9.035 1.00 0.00 C ATOM 758 CD GLN A 52 1.923 -9.589 8.772 1.00 0.00 C ATOM 759 OE1 GLN A 52 2.235 -8.582 9.375 1.00 0.00 O ATOM 760 NE2 GLN A 52 0.965 -9.550 7.888 1.00 0.00 N ATOM 0 H GLN A 52 1.135 -13.795 10.764 1.00 0.00 H new ATOM 0 HA GLN A 52 0.943 -10.822 10.837 1.00 0.00 H new ATOM 0 HB2 GLN A 52 2.117 -12.992 9.289 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.035 -12.109 8.230 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.231 -10.843 9.952 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.343 -11.125 8.226 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.703 -10.396 7.382 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.477 -8.673 7.703 1.00 0.00 H new ATOM 769 N PHE A 53 -1.616 -12.561 10.209 1.00 0.00 N ATOM 770 CA PHE A 53 -3.038 -12.469 9.770 1.00 0.00 C ATOM 771 C PHE A 53 -3.847 -11.612 10.747 1.00 0.00 C ATOM 772 O PHE A 53 -3.716 -11.730 11.949 1.00 0.00 O ATOM 773 CB PHE A 53 -3.558 -13.905 9.781 1.00 0.00 C ATOM 774 CG PHE A 53 -3.069 -14.633 8.553 1.00 0.00 C ATOM 775 CD1 PHE A 53 -1.710 -14.935 8.411 1.00 0.00 C ATOM 776 CD2 PHE A 53 -3.978 -15.010 7.557 1.00 0.00 C ATOM 777 CE1 PHE A 53 -1.258 -15.614 7.273 1.00 0.00 C ATOM 778 CE2 PHE A 53 -3.527 -15.690 6.420 1.00 0.00 C ATOM 779 CZ PHE A 53 -2.167 -15.991 6.278 1.00 0.00 C ATOM 0 H PHE A 53 -1.384 -13.379 10.772 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.127 -12.007 8.787 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.217 -14.419 10.680 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.648 -13.907 9.807 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.009 -14.644 9.180 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -5.027 -14.776 7.666 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.209 -15.847 7.163 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.228 -15.983 5.652 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.819 -16.515 5.400 1.00 0.00 H new ATOM 789 N LYS A 54 -4.691 -10.758 10.239 1.00 0.00 N ATOM 790 CA LYS A 54 -5.520 -9.904 11.135 1.00 0.00 C ATOM 791 C LYS A 54 -7.003 -10.114 10.818 1.00 0.00 C ATOM 792 O LYS A 54 -7.404 -10.127 9.672 1.00 0.00 O ATOM 793 CB LYS A 54 -5.097 -8.468 10.826 1.00 0.00 C ATOM 794 CG LYS A 54 -5.804 -7.509 11.786 1.00 0.00 C ATOM 795 CD LYS A 54 -5.569 -6.067 11.334 1.00 0.00 C ATOM 796 CE LYS A 54 -6.251 -5.108 12.310 1.00 0.00 C ATOM 797 NZ LYS A 54 -7.556 -4.779 11.671 1.00 0.00 N ATOM 0 H LYS A 54 -4.843 -10.614 9.241 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.379 -10.143 12.189 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.016 -8.367 10.925 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.348 -8.218 9.795 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.872 -7.724 11.810 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.428 -7.649 12.799 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.500 -5.858 11.290 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.964 -5.921 10.329 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.394 -5.572 13.286 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.651 -4.212 12.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.086 -4.123 12.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.387 -4.333 10.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.107 -5.651 11.539 1.00 0.00 H new ATOM 811 N SER A 55 -7.818 -10.295 11.821 1.00 0.00 N ATOM 812 CA SER A 55 -9.269 -10.520 11.565 1.00 0.00 C ATOM 813 C SER A 55 -9.893 -9.312 10.875 1.00 0.00 C ATOM 814 O SER A 55 -9.263 -8.293 10.677 1.00 0.00 O ATOM 815 CB SER A 55 -9.903 -10.719 12.937 1.00 0.00 C ATOM 816 OG SER A 55 -9.642 -9.585 13.752 1.00 0.00 O ATOM 0 H SER A 55 -7.543 -10.297 12.803 1.00 0.00 H new ATOM 0 HA SER A 55 -9.426 -11.378 10.911 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.978 -10.866 12.834 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.502 -11.617 13.407 1.00 0.00 H new ATOM 0 HG SER A 55 -10.052 -9.714 14.633 1.00 0.00 H new ATOM 822 N ILE A 56 -11.140 -9.432 10.521 1.00 0.00 N ATOM 823 CA ILE A 56 -11.853 -8.304 9.843 1.00 0.00 C ATOM 824 C ILE A 56 -13.369 -8.475 9.991 1.00 0.00 C ATOM 825 O ILE A 56 -14.017 -9.097 9.174 1.00 0.00 O ATOM 826 CB ILE A 56 -11.459 -8.380 8.358 1.00 0.00 C ATOM 827 CG1 ILE A 56 -11.561 -9.825 7.859 1.00 0.00 C ATOM 828 CG2 ILE A 56 -10.024 -7.881 8.175 1.00 0.00 C ATOM 829 CD1 ILE A 56 -11.666 -9.834 6.333 1.00 0.00 C ATOM 0 H ILE A 56 -11.705 -10.268 10.671 1.00 0.00 H new ATOM 0 HA ILE A 56 -11.583 -7.343 10.280 1.00 0.00 H new ATOM 0 HB ILE A 56 -12.139 -7.752 7.783 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -10.687 -10.393 8.177 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -12.433 -10.311 8.297 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -9.751 -7.937 7.121 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -9.952 -6.847 8.514 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -9.345 -8.502 8.759 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -11.738 -10.862 5.979 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -12.554 -9.281 6.026 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -10.780 -9.365 5.905 1.00 0.00 H new