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 153:sc= -0.65 USER MOD Set 1.2: A 13 CYS SG : rot -133:sc= -0.382 USER MOD Set 1.3: A 43 CYS SG : rot 78:sc= -0.0843 USER MOD Set 1.4: A 46 CYS SG : rot -120:sc= -1.32 USER MOD Set 1.5: A 48 SER OG : rot 103:sc= 1.05 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 -152:sc= -0.101 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 81:sc= 1.23 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -61:sc= 0.0649 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -117:sc= 1.04 (180deg=-1.01) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -5.67! K(o=-5.7!,f=-1.7) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= -0.596 USER MOD ----------------------------------------------------------------- ATOM 88 N LYS A 7 -13.272 -14.858 9.104 1.00 0.00 N ATOM 89 CA LYS A 7 -12.423 -14.636 7.898 1.00 0.00 C ATOM 90 C LYS A 7 -11.257 -13.708 8.251 1.00 0.00 C ATOM 91 O LYS A 7 -11.452 -12.602 8.716 1.00 0.00 O ATOM 92 CB LYS A 7 -13.346 -13.979 6.873 1.00 0.00 C ATOM 93 CG LYS A 7 -13.805 -15.031 5.862 1.00 0.00 C ATOM 94 CD LYS A 7 -14.878 -14.433 4.951 1.00 0.00 C ATOM 95 CE LYS A 7 -15.017 -15.298 3.696 1.00 0.00 C ATOM 96 NZ LYS A 7 -15.352 -14.341 2.606 1.00 0.00 N ATOM 0 HA LYS A 7 -11.993 -15.561 7.514 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -14.208 -13.537 7.373 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.824 -13.170 6.362 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.958 -15.373 5.267 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -14.201 -15.903 6.383 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -15.831 -14.381 5.478 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.610 -13.413 4.676 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.092 -15.834 3.481 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -15.799 -16.048 3.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.463 -14.859 1.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -16.240 -13.851 2.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.587 -13.643 2.509 1.00 0.00 H new ATOM 110 N TYR A 8 -10.044 -14.148 8.044 1.00 0.00 N ATOM 111 CA TYR A 8 -8.875 -13.283 8.380 1.00 0.00 C ATOM 112 C TYR A 8 -8.199 -12.774 7.105 1.00 0.00 C ATOM 113 O TYR A 8 -8.240 -13.412 6.073 1.00 0.00 O ATOM 114 CB TYR A 8 -7.917 -14.186 9.161 1.00 0.00 C ATOM 115 CG TYR A 8 -8.296 -14.180 10.621 1.00 0.00 C ATOM 116 CD1 TYR A 8 -9.485 -14.788 11.034 1.00 0.00 C ATOM 117 CD2 TYR A 8 -7.461 -13.564 11.562 1.00 0.00 C ATOM 118 CE1 TYR A 8 -9.843 -14.784 12.386 1.00 0.00 C ATOM 119 CE2 TYR A 8 -7.819 -13.558 12.916 1.00 0.00 C ATOM 120 CZ TYR A 8 -9.011 -14.169 13.329 1.00 0.00 C ATOM 121 OH TYR A 8 -9.364 -14.163 14.662 1.00 0.00 O ATOM 0 H TYR A 8 -9.813 -15.064 7.659 1.00 0.00 H new ATOM 0 HA TYR A 8 -9.173 -12.406 8.954 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -7.957 -15.202 8.768 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -6.891 -13.837 9.039 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -10.129 -15.262 10.308 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -6.542 -13.094 11.244 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.762 -15.256 12.703 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.176 -13.082 13.642 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.676 -13.696 15.181 1.00 0.00 H new ATOM 131 N GLU A 9 -7.571 -11.633 7.175 1.00 0.00 N ATOM 132 CA GLU A 9 -6.881 -11.083 5.974 1.00 0.00 C ATOM 133 C GLU A 9 -5.388 -10.915 6.265 1.00 0.00 C ATOM 134 O GLU A 9 -5.002 -10.240 7.198 1.00 0.00 O ATOM 135 CB GLU A 9 -7.537 -9.724 5.723 1.00 0.00 C ATOM 136 CG GLU A 9 -6.890 -9.065 4.504 1.00 0.00 C ATOM 137 CD GLU A 9 -6.262 -7.732 4.915 1.00 0.00 C ATOM 138 OE1 GLU A 9 -6.763 -7.127 5.849 1.00 0.00 O ATOM 139 OE2 GLU A 9 -5.292 -7.339 4.289 1.00 0.00 O ATOM 0 H GLU A 9 -7.506 -11.056 8.014 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.968 -11.738 5.107 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.607 -9.849 5.557 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.423 -9.085 6.599 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.129 -9.723 4.083 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.637 -8.903 3.727 1.00 0.00 H new ATOM 146 N CYS A 10 -4.543 -11.527 5.480 1.00 0.00 N ATOM 147 CA CYS A 10 -3.078 -11.403 5.722 1.00 0.00 C ATOM 148 C CYS A 10 -2.625 -9.960 5.530 1.00 0.00 C ATOM 149 O CYS A 10 -2.596 -9.453 4.425 1.00 0.00 O ATOM 150 CB CYS A 10 -2.418 -12.285 4.667 1.00 0.00 C ATOM 151 SG CYS A 10 -0.735 -12.703 5.177 1.00 0.00 S ATOM 0 H CYS A 10 -4.804 -12.107 4.682 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.815 -11.698 6.738 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -3.001 -13.195 4.526 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.398 -11.767 3.708 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.392 -13.841 4.651 1.00 0.00 H new ATOM 156 N GLU A 11 -2.244 -9.302 6.583 1.00 0.00 N ATOM 157 CA GLU A 11 -1.764 -7.904 6.437 1.00 0.00 C ATOM 158 C GLU A 11 -0.436 -7.896 5.668 1.00 0.00 C ATOM 159 O GLU A 11 0.045 -6.862 5.250 1.00 0.00 O ATOM 160 CB GLU A 11 -1.553 -7.407 7.866 1.00 0.00 C ATOM 161 CG GLU A 11 -2.532 -6.269 8.164 1.00 0.00 C ATOM 162 CD GLU A 11 -2.310 -5.129 7.168 1.00 0.00 C ATOM 163 OE1 GLU A 11 -1.212 -4.597 7.141 1.00 0.00 O ATOM 164 OE2 GLU A 11 -3.242 -4.807 6.449 1.00 0.00 O ATOM 0 H GLU A 11 -2.244 -9.668 7.535 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.465 -7.275 5.888 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.704 -8.224 8.572 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.527 -7.061 7.994 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.558 -6.631 8.096 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.388 -5.909 9.183 1.00 0.00 H new ATOM 171 N ALA A 12 0.167 -9.046 5.494 1.00 0.00 N ATOM 172 CA ALA A 12 1.468 -9.113 4.771 1.00 0.00 C ATOM 173 C ALA A 12 1.268 -9.193 3.253 1.00 0.00 C ATOM 174 O ALA A 12 2.006 -8.588 2.500 1.00 0.00 O ATOM 175 CB ALA A 12 2.137 -10.387 5.287 1.00 0.00 C ATOM 0 H ALA A 12 -0.190 -9.943 5.824 1.00 0.00 H new ATOM 0 HA ALA A 12 2.069 -8.221 4.949 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.105 -10.511 4.802 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.278 -10.313 6.365 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.505 -11.246 5.062 1.00 0.00 H new ATOM 181 N CYS A 13 0.297 -9.939 2.781 1.00 0.00 N ATOM 182 CA CYS A 13 0.115 -10.031 1.301 1.00 0.00 C ATOM 183 C CYS A 13 -1.316 -9.650 0.886 1.00 0.00 C ATOM 184 O CYS A 13 -1.536 -9.136 -0.193 1.00 0.00 O ATOM 185 CB CYS A 13 0.472 -11.486 0.940 1.00 0.00 C ATOM 186 SG CYS A 13 -0.882 -12.625 1.342 1.00 0.00 S ATOM 0 H CYS A 13 -0.363 -10.476 3.343 1.00 0.00 H new ATOM 0 HA CYS A 13 0.753 -9.329 0.763 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.700 -11.552 -0.124 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.372 -11.785 1.478 1.00 0.00 H new ATOM 0 HG CYS A 13 -0.406 -13.661 1.966 1.00 0.00 H new ATOM 191 N GLY A 14 -2.285 -9.877 1.730 1.00 0.00 N ATOM 192 CA GLY A 14 -3.683 -9.500 1.366 1.00 0.00 C ATOM 193 C GLY A 14 -4.523 -10.753 1.103 1.00 0.00 C ATOM 194 O GLY A 14 -5.567 -10.692 0.484 1.00 0.00 O ATOM 0 H GLY A 14 -2.172 -10.304 2.650 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.130 -8.917 2.171 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.676 -8.866 0.479 1.00 0.00 H new ATOM 198 N TYR A 15 -4.085 -11.885 1.574 1.00 0.00 N ATOM 199 CA TYR A 15 -4.871 -13.134 1.355 1.00 0.00 C ATOM 200 C TYR A 15 -6.035 -13.187 2.347 1.00 0.00 C ATOM 201 O TYR A 15 -6.085 -12.430 3.295 1.00 0.00 O ATOM 202 CB TYR A 15 -3.882 -14.275 1.609 1.00 0.00 C ATOM 203 CG TYR A 15 -4.613 -15.597 1.585 1.00 0.00 C ATOM 204 CD1 TYR A 15 -5.181 -16.101 2.760 1.00 0.00 C ATOM 205 CD2 TYR A 15 -4.724 -16.317 0.389 1.00 0.00 C ATOM 206 CE1 TYR A 15 -5.861 -17.323 2.742 1.00 0.00 C ATOM 207 CE2 TYR A 15 -5.403 -17.541 0.369 1.00 0.00 C ATOM 208 CZ TYR A 15 -5.973 -18.044 1.546 1.00 0.00 C ATOM 209 OH TYR A 15 -6.643 -19.250 1.527 1.00 0.00 O ATOM 0 H TYR A 15 -3.219 -12.002 2.100 1.00 0.00 H new ATOM 0 HA TYR A 15 -5.300 -13.194 0.355 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.100 -14.267 0.850 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.392 -14.137 2.573 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.094 -15.546 3.682 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.286 -15.928 -0.518 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -6.300 -17.711 3.650 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.487 -18.097 -0.553 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.628 -19.618 0.619 1.00 0.00 H new ATOM 219 N ILE A 16 -6.972 -14.070 2.138 1.00 0.00 N ATOM 220 CA ILE A 16 -8.128 -14.154 3.077 1.00 0.00 C ATOM 221 C ILE A 16 -8.334 -15.597 3.544 1.00 0.00 C ATOM 222 O ILE A 16 -8.650 -16.476 2.766 1.00 0.00 O ATOM 223 CB ILE A 16 -9.329 -13.664 2.268 1.00 0.00 C ATOM 224 CG1 ILE A 16 -9.141 -12.181 1.942 1.00 0.00 C ATOM 225 CG2 ILE A 16 -10.613 -13.852 3.079 1.00 0.00 C ATOM 226 CD1 ILE A 16 -9.071 -11.372 3.240 1.00 0.00 C ATOM 0 H ILE A 16 -6.989 -14.733 1.363 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.975 -13.558 3.976 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.405 -14.238 1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.228 -12.039 1.364 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.967 -11.827 1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.465 -13.501 2.497 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.744 -14.908 3.313 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.546 -13.281 4.005 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.937 -10.316 3.004 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.996 -11.504 3.801 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.230 -11.719 3.840 1.00 0.00 H new ATOM 238 N TYR A 17 -8.159 -15.842 4.811 1.00 0.00 N ATOM 239 CA TYR A 17 -8.345 -17.224 5.340 1.00 0.00 C ATOM 240 C TYR A 17 -9.830 -17.503 5.593 1.00 0.00 C ATOM 241 O TYR A 17 -10.544 -16.687 6.144 1.00 0.00 O ATOM 242 CB TYR A 17 -7.557 -17.264 6.658 1.00 0.00 C ATOM 243 CG TYR A 17 -7.863 -18.551 7.398 1.00 0.00 C ATOM 244 CD1 TYR A 17 -7.262 -19.751 7.000 1.00 0.00 C ATOM 245 CD2 TYR A 17 -8.761 -18.542 8.474 1.00 0.00 C ATOM 246 CE1 TYR A 17 -7.557 -20.941 7.681 1.00 0.00 C ATOM 247 CE2 TYR A 17 -9.055 -19.732 9.151 1.00 0.00 C ATOM 248 CZ TYR A 17 -8.453 -20.930 8.754 1.00 0.00 C ATOM 249 OH TYR A 17 -8.743 -22.104 9.423 1.00 0.00 O ATOM 0 H TYR A 17 -7.894 -15.144 5.506 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.996 -17.980 4.637 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.488 -17.195 6.456 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.821 -16.406 7.277 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.572 -19.760 6.169 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -9.226 -17.617 8.781 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.092 -21.867 7.376 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.747 -19.724 9.980 1.00 0.00 H new ATOM 0 HH TYR A 17 -9.642 -22.047 9.808 1.00 0.00 H new ATOM 259 N GLU A 18 -10.288 -18.662 5.207 1.00 0.00 N ATOM 260 CA GLU A 18 -11.715 -19.020 5.433 1.00 0.00 C ATOM 261 C GLU A 18 -11.797 -20.213 6.397 1.00 0.00 C ATOM 262 O GLU A 18 -11.434 -21.316 6.039 1.00 0.00 O ATOM 263 CB GLU A 18 -12.249 -19.405 4.053 1.00 0.00 C ATOM 264 CG GLU A 18 -12.156 -18.199 3.115 1.00 0.00 C ATOM 265 CD GLU A 18 -11.767 -18.671 1.713 1.00 0.00 C ATOM 266 OE1 GLU A 18 -10.607 -18.996 1.518 1.00 0.00 O ATOM 267 OE2 GLU A 18 -12.636 -18.699 0.856 1.00 0.00 O ATOM 0 H GLU A 18 -9.731 -19.380 4.742 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.290 -18.206 5.874 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.675 -20.239 3.649 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.284 -19.739 4.132 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.112 -17.676 3.082 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.418 -17.490 3.489 1.00 0.00 H new ATOM 274 N PRO A 19 -12.262 -19.956 7.597 1.00 0.00 N ATOM 275 CA PRO A 19 -12.372 -21.036 8.612 1.00 0.00 C ATOM 276 C PRO A 19 -13.453 -22.049 8.236 1.00 0.00 C ATOM 277 O PRO A 19 -13.164 -23.176 7.885 1.00 0.00 O ATOM 278 CB PRO A 19 -12.725 -20.290 9.895 1.00 0.00 C ATOM 279 CG PRO A 19 -13.345 -19.003 9.450 1.00 0.00 C ATOM 280 CD PRO A 19 -12.729 -18.661 8.118 1.00 0.00 C ATOM 0 HA PRO A 19 -11.457 -21.621 8.705 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.417 -20.868 10.508 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.837 -20.109 10.501 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.427 -19.105 9.361 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.158 -18.212 10.177 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.456 -18.201 7.449 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -11.906 -17.955 8.229 1.00 0.00 H new ATOM 288 N GLU A 20 -14.692 -21.657 8.316 1.00 0.00 N ATOM 289 CA GLU A 20 -15.812 -22.589 7.972 1.00 0.00 C ATOM 290 C GLU A 20 -15.514 -23.353 6.676 1.00 0.00 C ATOM 291 O GLU A 20 -15.988 -24.452 6.468 1.00 0.00 O ATOM 292 CB GLU A 20 -17.032 -21.687 7.791 1.00 0.00 C ATOM 293 CG GLU A 20 -18.309 -22.509 7.977 1.00 0.00 C ATOM 294 CD GLU A 20 -19.494 -21.567 8.199 1.00 0.00 C ATOM 295 OE1 GLU A 20 -19.457 -20.818 9.162 1.00 0.00 O ATOM 296 OE2 GLU A 20 -20.417 -21.610 7.403 1.00 0.00 O ATOM 0 H GLU A 20 -14.984 -20.724 8.607 1.00 0.00 H new ATOM 0 HA GLU A 20 -15.964 -23.342 8.745 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -17.004 -20.871 8.513 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -17.019 -21.235 6.799 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -18.485 -23.131 7.099 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -18.201 -23.181 8.828 1.00 0.00 H new ATOM 303 N LYS A 21 -14.727 -22.782 5.807 1.00 0.00 N ATOM 304 CA LYS A 21 -14.396 -23.480 4.532 1.00 0.00 C ATOM 305 C LYS A 21 -13.023 -24.146 4.639 1.00 0.00 C ATOM 306 O LYS A 21 -12.718 -25.079 3.924 1.00 0.00 O ATOM 307 CB LYS A 21 -14.381 -22.383 3.468 1.00 0.00 C ATOM 308 CG LYS A 21 -15.161 -22.853 2.238 1.00 0.00 C ATOM 309 CD LYS A 21 -14.192 -23.467 1.224 1.00 0.00 C ATOM 310 CE LYS A 21 -14.934 -24.497 0.370 1.00 0.00 C ATOM 311 NZ LYS A 21 -14.734 -24.042 -1.035 1.00 0.00 N ATOM 0 H LYS A 21 -14.299 -21.864 5.924 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.113 -24.265 4.292 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.824 -21.470 3.866 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.354 -22.144 3.191 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.913 -23.587 2.529 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.692 -22.014 1.788 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.771 -22.688 0.589 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.358 -23.941 1.742 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.533 -25.499 0.522 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.993 -24.535 0.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.214 -24.698 -1.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.131 -23.088 -1.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.717 -24.022 -1.252 1.00 0.00 H new ATOM 325 N GLY A 22 -12.191 -23.676 5.529 1.00 0.00 N ATOM 326 CA GLY A 22 -10.843 -24.287 5.678 1.00 0.00 C ATOM 327 C GLY A 22 -9.917 -23.755 4.584 1.00 0.00 C ATOM 328 O GLY A 22 -10.338 -23.476 3.480 1.00 0.00 O ATOM 0 H GLY A 22 -12.388 -22.897 6.157 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.433 -24.054 6.661 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.915 -25.373 5.612 1.00 0.00 H new ATOM 332 N ASP A 23 -8.655 -23.620 4.883 1.00 0.00 N ATOM 333 CA ASP A 23 -7.695 -23.114 3.866 1.00 0.00 C ATOM 334 C ASP A 23 -7.209 -24.271 2.997 1.00 0.00 C ATOM 335 O ASP A 23 -6.038 -24.594 2.977 1.00 0.00 O ATOM 336 CB ASP A 23 -6.540 -22.517 4.667 1.00 0.00 C ATOM 337 CG ASP A 23 -5.659 -21.677 3.739 1.00 0.00 C ATOM 338 OD1 ASP A 23 -5.323 -22.164 2.672 1.00 0.00 O ATOM 339 OD2 ASP A 23 -5.334 -20.562 4.113 1.00 0.00 O ATOM 0 H ASP A 23 -8.247 -23.840 5.792 1.00 0.00 H new ATOM 0 HA ASP A 23 -8.143 -22.377 3.200 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.926 -21.899 5.478 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.951 -23.312 5.125 1.00 0.00 H new ATOM 344 N LYS A 24 -8.107 -24.901 2.286 1.00 0.00 N ATOM 345 CA LYS A 24 -7.721 -26.052 1.406 1.00 0.00 C ATOM 346 C LYS A 24 -6.437 -25.739 0.632 1.00 0.00 C ATOM 347 O LYS A 24 -5.669 -26.618 0.296 1.00 0.00 O ATOM 348 CB LYS A 24 -8.896 -26.215 0.441 1.00 0.00 C ATOM 349 CG LYS A 24 -9.188 -27.704 0.235 1.00 0.00 C ATOM 350 CD LYS A 24 -9.346 -27.988 -1.260 1.00 0.00 C ATOM 351 CE LYS A 24 -10.822 -28.234 -1.580 1.00 0.00 C ATOM 352 NZ LYS A 24 -10.913 -29.695 -1.863 1.00 0.00 N ATOM 0 H LYS A 24 -9.100 -24.668 2.275 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.525 -26.957 1.981 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.778 -25.712 0.838 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.663 -25.744 -0.514 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.378 -28.305 0.647 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.096 -27.985 0.768 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.972 -27.146 -1.842 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.752 -28.858 -1.540 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.460 -27.953 -0.742 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.144 -27.644 -2.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.897 -29.944 -2.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.300 -29.931 -2.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.606 -30.231 -1.026 1.00 0.00 H new ATOM 366 N PHE A 25 -6.196 -24.487 0.357 1.00 0.00 N ATOM 367 CA PHE A 25 -4.959 -24.111 -0.385 1.00 0.00 C ATOM 368 C PHE A 25 -3.723 -24.420 0.466 1.00 0.00 C ATOM 369 O PHE A 25 -2.672 -24.753 -0.044 1.00 0.00 O ATOM 370 CB PHE A 25 -5.081 -22.605 -0.624 1.00 0.00 C ATOM 371 CG PHE A 25 -5.193 -22.336 -2.105 1.00 0.00 C ATOM 372 CD1 PHE A 25 -4.052 -22.388 -2.915 1.00 0.00 C ATOM 373 CD2 PHE A 25 -6.439 -22.038 -2.669 1.00 0.00 C ATOM 374 CE1 PHE A 25 -4.158 -22.140 -4.290 1.00 0.00 C ATOM 375 CE2 PHE A 25 -6.545 -21.789 -4.042 1.00 0.00 C ATOM 376 CZ PHE A 25 -5.404 -21.840 -4.853 1.00 0.00 C ATOM 0 H PHE A 25 -6.802 -23.708 0.614 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.852 -24.663 -1.319 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.956 -22.214 -0.106 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.212 -22.090 -0.215 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.091 -22.619 -2.480 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -7.319 -22.000 -2.044 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.278 -22.180 -4.915 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.506 -21.558 -4.476 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.486 -21.648 -5.913 1.00 0.00 H new ATOM 386 N ALA A 26 -3.843 -24.311 1.762 1.00 0.00 N ATOM 387 CA ALA A 26 -2.677 -24.597 2.647 1.00 0.00 C ATOM 388 C ALA A 26 -2.779 -26.012 3.222 1.00 0.00 C ATOM 389 O ALA A 26 -1.785 -26.642 3.525 1.00 0.00 O ATOM 390 CB ALA A 26 -2.760 -23.556 3.764 1.00 0.00 C ATOM 0 H ALA A 26 -4.698 -24.036 2.246 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.730 -24.543 2.109 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.933 -23.701 4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.702 -22.556 3.334 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.705 -23.668 4.296 1.00 0.00 H new ATOM 396 N GLY A 27 -3.972 -26.519 3.371 1.00 0.00 N ATOM 397 CA GLY A 27 -4.131 -27.895 3.920 1.00 0.00 C ATOM 398 C GLY A 27 -4.994 -27.864 5.187 1.00 0.00 C ATOM 399 O GLY A 27 -4.899 -28.734 6.029 1.00 0.00 O ATOM 0 H GLY A 27 -4.842 -26.041 3.137 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.592 -28.541 3.173 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.153 -28.319 4.148 1.00 0.00 H new ATOM 403 N ILE A 28 -5.840 -26.879 5.331 1.00 0.00 N ATOM 404 CA ILE A 28 -6.703 -26.816 6.544 1.00 0.00 C ATOM 405 C ILE A 28 -8.166 -27.085 6.151 1.00 0.00 C ATOM 406 O ILE A 28 -8.705 -26.408 5.299 1.00 0.00 O ATOM 407 CB ILE A 28 -6.529 -25.389 7.076 1.00 0.00 C ATOM 408 CG1 ILE A 28 -5.116 -25.227 7.641 1.00 0.00 C ATOM 409 CG2 ILE A 28 -7.550 -25.118 8.185 1.00 0.00 C ATOM 410 CD1 ILE A 28 -4.610 -23.815 7.351 1.00 0.00 C ATOM 0 H ILE A 28 -5.970 -26.119 4.664 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.434 -27.558 7.295 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.685 -24.682 6.262 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.119 -25.410 8.716 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.448 -25.963 7.194 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.421 -24.102 8.558 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.558 -25.233 7.787 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.399 -25.826 9.000 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.604 -23.699 7.753 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.591 -23.649 6.274 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.273 -23.088 7.819 1.00 0.00 H new ATOM 422 N PRO A 29 -8.764 -28.072 6.778 1.00 0.00 N ATOM 423 CA PRO A 29 -10.174 -28.420 6.467 1.00 0.00 C ATOM 424 C PRO A 29 -11.126 -27.336 6.992 1.00 0.00 C ATOM 425 O PRO A 29 -10.713 -26.455 7.722 1.00 0.00 O ATOM 426 CB PRO A 29 -10.391 -29.739 7.204 1.00 0.00 C ATOM 427 CG PRO A 29 -9.390 -29.729 8.313 1.00 0.00 C ATOM 428 CD PRO A 29 -8.202 -28.945 7.821 1.00 0.00 C ATOM 0 HA PRO A 29 -10.368 -28.499 5.397 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.408 -29.813 7.590 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -10.239 -30.591 6.542 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -9.810 -29.272 9.209 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.099 -30.745 8.580 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.745 -28.366 8.623 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.429 -29.600 7.420 1.00 0.00 H new ATOM 436 N PRO A 30 -12.374 -27.432 6.602 1.00 0.00 N ATOM 437 CA PRO A 30 -13.384 -26.441 7.044 1.00 0.00 C ATOM 438 C PRO A 30 -13.712 -26.642 8.523 1.00 0.00 C ATOM 439 O PRO A 30 -12.988 -27.294 9.250 1.00 0.00 O ATOM 440 CB PRO A 30 -14.599 -26.752 6.175 1.00 0.00 C ATOM 441 CG PRO A 30 -14.439 -28.186 5.796 1.00 0.00 C ATOM 442 CD PRO A 30 -12.959 -28.458 5.726 1.00 0.00 C ATOM 0 HA PRO A 30 -13.045 -25.410 6.941 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -15.528 -26.588 6.721 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -14.630 -26.111 5.294 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -14.917 -28.835 6.530 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.914 -28.387 4.836 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.720 -29.464 6.072 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.584 -28.374 4.706 1.00 0.00 H new ATOM 450 N GLY A 31 -14.800 -26.085 8.971 1.00 0.00 N ATOM 451 CA GLY A 31 -15.194 -26.235 10.405 1.00 0.00 C ATOM 452 C GLY A 31 -14.001 -25.912 11.313 1.00 0.00 C ATOM 453 O GLY A 31 -13.861 -26.465 12.386 1.00 0.00 O ATOM 0 H GLY A 31 -15.440 -25.528 8.405 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.026 -25.569 10.634 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.539 -27.252 10.592 1.00 0.00 H new ATOM 457 N THR A 32 -13.142 -25.024 10.894 1.00 0.00 N ATOM 458 CA THR A 32 -11.964 -24.676 11.738 1.00 0.00 C ATOM 459 C THR A 32 -11.744 -23.154 11.745 1.00 0.00 C ATOM 460 O THR A 32 -11.466 -22.572 10.717 1.00 0.00 O ATOM 461 CB THR A 32 -10.782 -25.382 11.072 1.00 0.00 C ATOM 462 OG1 THR A 32 -11.049 -26.775 10.994 1.00 0.00 O ATOM 463 CG2 THR A 32 -9.514 -25.148 11.895 1.00 0.00 C ATOM 0 H THR A 32 -13.204 -24.525 10.006 1.00 0.00 H new ATOM 0 HA THR A 32 -12.095 -24.983 12.776 1.00 0.00 H new ATOM 0 HB THR A 32 -10.638 -24.982 10.068 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.622 -26.955 10.220 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.673 -25.652 11.419 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.310 -24.079 11.954 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.654 -25.546 12.900 1.00 0.00 H new ATOM 471 N PRO A 33 -11.871 -22.556 12.906 1.00 0.00 N ATOM 472 CA PRO A 33 -11.675 -21.089 13.022 1.00 0.00 C ATOM 473 C PRO A 33 -10.191 -20.737 12.879 1.00 0.00 C ATOM 474 O PRO A 33 -9.325 -21.499 13.260 1.00 0.00 O ATOM 475 CB PRO A 33 -12.174 -20.767 14.427 1.00 0.00 C ATOM 476 CG PRO A 33 -12.026 -22.045 15.189 1.00 0.00 C ATOM 477 CD PRO A 33 -12.202 -23.168 14.201 1.00 0.00 C ATOM 0 HA PRO A 33 -12.200 -20.526 12.250 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.589 -19.967 14.880 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.212 -20.434 14.411 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.047 -22.099 15.665 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.770 -22.109 15.983 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.542 -24.006 14.427 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -13.222 -23.553 14.212 1.00 0.00 H new ATOM 485 N PHE A 34 -9.891 -19.588 12.336 1.00 0.00 N ATOM 486 CA PHE A 34 -8.461 -19.189 12.173 1.00 0.00 C ATOM 487 C PHE A 34 -7.717 -19.346 13.505 1.00 0.00 C ATOM 488 O PHE A 34 -6.558 -19.710 13.544 1.00 0.00 O ATOM 489 CB PHE A 34 -8.513 -17.713 11.741 1.00 0.00 C ATOM 490 CG PHE A 34 -7.155 -17.063 11.912 1.00 0.00 C ATOM 491 CD1 PHE A 34 -6.742 -16.619 13.178 1.00 0.00 C ATOM 492 CD2 PHE A 34 -6.312 -16.910 10.807 1.00 0.00 C ATOM 493 CE1 PHE A 34 -5.485 -16.021 13.333 1.00 0.00 C ATOM 494 CE2 PHE A 34 -5.056 -16.313 10.963 1.00 0.00 C ATOM 495 CZ PHE A 34 -4.642 -15.868 12.225 1.00 0.00 C ATOM 0 H PHE A 34 -10.572 -18.908 11.998 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.932 -19.805 11.445 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.828 -17.643 10.700 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -9.256 -17.180 12.335 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.393 -16.738 14.032 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.630 -17.252 9.833 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.166 -15.678 14.306 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.405 -16.195 10.109 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.673 -15.407 12.344 1.00 0.00 H new ATOM 505 N VAL A 35 -8.374 -19.061 14.589 1.00 0.00 N ATOM 506 CA VAL A 35 -7.706 -19.175 15.914 1.00 0.00 C ATOM 507 C VAL A 35 -7.298 -20.631 16.195 1.00 0.00 C ATOM 508 O VAL A 35 -6.526 -20.904 17.092 1.00 0.00 O ATOM 509 CB VAL A 35 -8.748 -18.646 16.918 1.00 0.00 C ATOM 510 CG1 VAL A 35 -9.694 -19.761 17.389 1.00 0.00 C ATOM 511 CG2 VAL A 35 -8.018 -18.048 18.119 1.00 0.00 C ATOM 0 H VAL A 35 -9.346 -18.753 14.617 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.778 -18.607 15.974 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.352 -17.886 16.423 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.415 -19.352 18.096 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.222 -20.176 16.531 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.116 -20.547 17.875 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.746 -17.670 18.836 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.407 -18.816 18.593 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.379 -17.230 17.786 1.00 0.00 H new ATOM 521 N ASP A 36 -7.806 -21.566 15.435 1.00 0.00 N ATOM 522 CA ASP A 36 -7.438 -22.993 15.665 1.00 0.00 C ATOM 523 C ASP A 36 -6.339 -23.434 14.688 1.00 0.00 C ATOM 524 O ASP A 36 -5.894 -24.565 14.715 1.00 0.00 O ATOM 525 CB ASP A 36 -8.724 -23.780 15.412 1.00 0.00 C ATOM 526 CG ASP A 36 -9.390 -24.112 16.748 1.00 0.00 C ATOM 527 OD1 ASP A 36 -8.671 -24.287 17.718 1.00 0.00 O ATOM 528 OD2 ASP A 36 -10.607 -24.186 16.779 1.00 0.00 O ATOM 0 H ASP A 36 -8.458 -21.403 14.667 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.047 -23.156 16.669 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.403 -23.197 14.790 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.500 -24.697 14.867 1.00 0.00 H new ATOM 533 N LEU A 37 -5.894 -22.557 13.825 1.00 0.00 N ATOM 534 CA LEU A 37 -4.826 -22.941 12.858 1.00 0.00 C ATOM 535 C LEU A 37 -3.601 -23.476 13.606 1.00 0.00 C ATOM 536 O LEU A 37 -3.455 -23.281 14.796 1.00 0.00 O ATOM 537 CB LEU A 37 -4.481 -21.649 12.116 1.00 0.00 C ATOM 538 CG LEU A 37 -5.575 -21.341 11.091 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.239 -20.039 10.364 1.00 0.00 C ATOM 540 CD2 LEU A 37 -5.661 -22.484 10.077 1.00 0.00 C ATOM 0 H LEU A 37 -6.224 -21.595 13.749 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.149 -23.728 12.177 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.388 -20.825 12.823 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.518 -21.750 11.616 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.532 -21.236 11.602 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.018 -19.819 9.634 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.178 -19.225 11.086 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.282 -20.144 9.853 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.440 -22.265 9.347 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.704 -22.590 9.566 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.900 -23.413 10.595 1.00 0.00 H new ATOM 552 N SER A 38 -2.722 -24.151 12.916 1.00 0.00 N ATOM 553 CA SER A 38 -1.509 -24.702 13.588 1.00 0.00 C ATOM 554 C SER A 38 -0.765 -23.593 14.338 1.00 0.00 C ATOM 555 O SER A 38 -1.045 -22.422 14.174 1.00 0.00 O ATOM 556 CB SER A 38 -0.645 -25.253 12.454 1.00 0.00 C ATOM 557 OG SER A 38 -1.221 -26.453 11.960 1.00 0.00 O ATOM 0 H SER A 38 -2.791 -24.345 11.917 1.00 0.00 H new ATOM 0 HA SER A 38 -1.758 -25.468 14.322 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.566 -24.518 11.653 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.367 -25.443 12.813 1.00 0.00 H new ATOM 0 HG SER A 38 -0.668 -26.806 11.232 1.00 0.00 H new ATOM 563 N ASP A 39 0.181 -23.955 15.163 1.00 0.00 N ATOM 564 CA ASP A 39 0.944 -22.925 15.926 1.00 0.00 C ATOM 565 C ASP A 39 1.776 -22.065 14.971 1.00 0.00 C ATOM 566 O ASP A 39 1.954 -20.881 15.182 1.00 0.00 O ATOM 567 CB ASP A 39 1.854 -23.721 16.862 1.00 0.00 C ATOM 568 CG ASP A 39 1.316 -23.634 18.292 1.00 0.00 C ATOM 569 OD1 ASP A 39 0.874 -22.564 18.673 1.00 0.00 O ATOM 570 OD2 ASP A 39 1.354 -24.641 18.979 1.00 0.00 O ATOM 0 H ASP A 39 0.458 -24.920 15.342 1.00 0.00 H new ATOM 0 HA ASP A 39 0.289 -22.247 16.473 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.901 -24.762 16.542 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.870 -23.328 16.820 1.00 0.00 H new ATOM 575 N SER A 40 2.289 -22.649 13.923 1.00 0.00 N ATOM 576 CA SER A 40 3.110 -21.861 12.957 1.00 0.00 C ATOM 577 C SER A 40 2.537 -21.988 11.543 1.00 0.00 C ATOM 578 O SER A 40 3.239 -22.305 10.603 1.00 0.00 O ATOM 579 CB SER A 40 4.506 -22.480 13.027 1.00 0.00 C ATOM 580 OG SER A 40 5.436 -21.626 12.379 1.00 0.00 O ATOM 0 H SER A 40 2.176 -23.636 13.693 1.00 0.00 H new ATOM 0 HA SER A 40 3.122 -20.798 13.198 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.797 -22.630 14.067 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.505 -23.461 12.552 1.00 0.00 H new ATOM 0 HG SER A 40 5.187 -21.526 11.437 1.00 0.00 H new ATOM 586 N PHE A 41 1.265 -21.739 11.383 1.00 0.00 N ATOM 587 CA PHE A 41 0.649 -21.840 10.030 1.00 0.00 C ATOM 588 C PHE A 41 1.252 -20.777 9.100 1.00 0.00 C ATOM 589 O PHE A 41 1.263 -19.601 9.409 1.00 0.00 O ATOM 590 CB PHE A 41 -0.855 -21.601 10.271 1.00 0.00 C ATOM 591 CG PHE A 41 -1.545 -21.174 8.990 1.00 0.00 C ATOM 592 CD1 PHE A 41 -1.889 -22.129 8.027 1.00 0.00 C ATOM 593 CD2 PHE A 41 -1.835 -19.822 8.771 1.00 0.00 C ATOM 594 CE1 PHE A 41 -2.525 -21.731 6.845 1.00 0.00 C ATOM 595 CE2 PHE A 41 -2.472 -19.426 7.588 1.00 0.00 C ATOM 596 CZ PHE A 41 -2.816 -20.380 6.625 1.00 0.00 C ATOM 0 H PHE A 41 0.626 -21.470 12.131 1.00 0.00 H new ATOM 0 HA PHE A 41 0.827 -22.801 9.548 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.316 -22.512 10.651 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.988 -20.834 11.034 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.664 -23.172 8.195 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.568 -19.085 9.514 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.791 -22.468 6.102 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.698 -18.383 7.419 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.306 -20.074 5.712 1.00 0.00 H new ATOM 606 N MET A 42 1.743 -21.182 7.960 1.00 0.00 N ATOM 607 CA MET A 42 2.332 -20.193 7.010 1.00 0.00 C ATOM 608 C MET A 42 1.297 -19.827 5.943 1.00 0.00 C ATOM 609 O MET A 42 0.499 -20.646 5.533 1.00 0.00 O ATOM 610 CB MET A 42 3.535 -20.893 6.366 1.00 0.00 C ATOM 611 CG MET A 42 4.412 -21.537 7.448 1.00 0.00 C ATOM 612 SD MET A 42 5.925 -22.182 6.692 1.00 0.00 S ATOM 613 CE MET A 42 5.985 -23.745 7.603 1.00 0.00 C ATOM 0 H MET A 42 1.762 -22.152 7.645 1.00 0.00 H new ATOM 0 HA MET A 42 2.631 -19.273 7.512 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.191 -21.654 5.666 1.00 0.00 H new ATOM 0 HB3 MET A 42 4.120 -20.174 5.793 1.00 0.00 H new ATOM 0 HG2 MET A 42 4.660 -20.803 8.215 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.867 -22.342 7.941 1.00 0.00 H new ATOM 0 HE1 MET A 42 6.858 -24.316 7.288 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.051 -23.541 8.672 1.00 0.00 H new ATOM 0 HE3 MET A 42 5.082 -24.320 7.398 1.00 0.00 H new ATOM 623 N CYS A 43 1.300 -18.603 5.494 1.00 0.00 N ATOM 624 CA CYS A 43 0.312 -18.187 4.458 1.00 0.00 C ATOM 625 C CYS A 43 0.530 -18.981 3.162 1.00 0.00 C ATOM 626 O CYS A 43 1.652 -19.154 2.731 1.00 0.00 O ATOM 627 CB CYS A 43 0.598 -16.707 4.223 1.00 0.00 C ATOM 628 SG CYS A 43 -0.718 -15.978 3.218 1.00 0.00 S ATOM 0 H CYS A 43 1.943 -17.872 5.799 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.716 -18.367 4.772 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.670 -16.185 5.177 1.00 0.00 H new ATOM 0 HB3 CYS A 43 1.559 -16.588 3.722 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.757 -15.747 3.965 1.00 0.00 H new ATOM 633 N PRO A 44 -0.551 -19.433 2.573 1.00 0.00 N ATOM 634 CA PRO A 44 -0.450 -20.203 1.311 1.00 0.00 C ATOM 635 C PRO A 44 -0.163 -19.267 0.130 1.00 0.00 C ATOM 636 O PRO A 44 0.008 -19.706 -0.990 1.00 0.00 O ATOM 637 CB PRO A 44 -1.829 -20.840 1.168 1.00 0.00 C ATOM 638 CG PRO A 44 -2.755 -19.948 1.935 1.00 0.00 C ATOM 639 CD PRO A 44 -1.945 -19.277 3.015 1.00 0.00 C ATOM 0 HA PRO A 44 0.357 -20.935 1.323 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -2.125 -20.908 0.121 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.838 -21.854 1.568 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.206 -19.206 1.276 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.571 -20.525 2.370 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.214 -18.226 3.119 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.110 -19.746 3.985 1.00 0.00 H new ATOM 647 N ALA A 45 -0.116 -17.980 0.365 1.00 0.00 N ATOM 648 CA ALA A 45 0.150 -17.029 -0.751 1.00 0.00 C ATOM 649 C ALA A 45 1.481 -16.302 -0.541 1.00 0.00 C ATOM 650 O ALA A 45 2.213 -16.051 -1.478 1.00 0.00 O ATOM 651 CB ALA A 45 -1.012 -16.037 -0.708 1.00 0.00 C ATOM 0 H ALA A 45 -0.250 -17.550 1.280 1.00 0.00 H new ATOM 0 HA ALA A 45 0.223 -17.539 -1.711 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.891 -15.300 -1.502 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.952 -16.571 -0.849 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.023 -15.532 0.258 1.00 0.00 H new ATOM 657 N CYS A 46 1.803 -15.957 0.676 1.00 0.00 N ATOM 658 CA CYS A 46 3.089 -15.243 0.918 1.00 0.00 C ATOM 659 C CYS A 46 3.953 -15.988 1.962 1.00 0.00 C ATOM 660 O CYS A 46 4.999 -15.517 2.364 1.00 0.00 O ATOM 661 CB CYS A 46 2.677 -13.818 1.356 1.00 0.00 C ATOM 662 SG CYS A 46 2.364 -13.712 3.140 1.00 0.00 S ATOM 0 H CYS A 46 1.238 -16.136 1.506 1.00 0.00 H new ATOM 0 HA CYS A 46 3.723 -15.199 0.033 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.464 -13.115 1.085 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.781 -13.518 0.813 1.00 0.00 H new ATOM 0 HG CYS A 46 1.137 -13.335 3.344 1.00 0.00 H new ATOM 667 N ARG A 47 3.537 -17.163 2.368 1.00 0.00 N ATOM 668 CA ARG A 47 4.338 -17.970 3.347 1.00 0.00 C ATOM 669 C ARG A 47 4.605 -17.219 4.660 1.00 0.00 C ATOM 670 O ARG A 47 5.473 -17.599 5.421 1.00 0.00 O ATOM 671 CB ARG A 47 5.657 -18.257 2.628 1.00 0.00 C ATOM 672 CG ARG A 47 6.115 -19.682 2.951 1.00 0.00 C ATOM 673 CD ARG A 47 7.431 -19.973 2.226 1.00 0.00 C ATOM 674 NE ARG A 47 7.027 -20.534 0.907 1.00 0.00 N ATOM 675 CZ ARG A 47 7.571 -21.640 0.473 1.00 0.00 C ATOM 676 NH1 ARG A 47 8.789 -21.950 0.826 1.00 0.00 N ATOM 677 NH2 ARG A 47 6.898 -22.432 -0.314 1.00 0.00 N ATOM 0 H ARG A 47 2.669 -17.603 2.061 1.00 0.00 H new ATOM 0 HA ARG A 47 3.798 -18.872 3.635 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.530 -18.140 1.552 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.417 -17.540 2.939 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.247 -19.798 4.027 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.353 -20.398 2.645 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.024 -19.066 2.105 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.042 -20.681 2.786 1.00 0.00 H new ATOM 0 HE ARG A 47 6.326 -20.055 0.342 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.316 -21.329 1.440 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.214 -22.813 0.487 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.947 -22.188 -0.591 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.322 -23.295 -0.653 1.00 0.00 H new ATOM 691 N SER A 48 3.878 -16.174 4.950 1.00 0.00 N ATOM 692 CA SER A 48 4.122 -15.446 6.233 1.00 0.00 C ATOM 693 C SER A 48 3.562 -16.257 7.408 1.00 0.00 C ATOM 694 O SER A 48 2.763 -17.151 7.213 1.00 0.00 O ATOM 695 CB SER A 48 3.381 -14.117 6.104 1.00 0.00 C ATOM 696 OG SER A 48 4.138 -13.229 5.294 1.00 0.00 O ATOM 0 H SER A 48 3.134 -15.795 4.364 1.00 0.00 H new ATOM 0 HA SER A 48 5.185 -15.293 6.418 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.397 -14.278 5.664 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.221 -13.680 7.090 1.00 0.00 H new ATOM 0 HG SER A 48 3.747 -13.192 4.396 1.00 0.00 H new ATOM 702 N PRO A 49 3.999 -15.920 8.596 1.00 0.00 N ATOM 703 CA PRO A 49 3.526 -16.636 9.805 1.00 0.00 C ATOM 704 C PRO A 49 2.074 -16.263 10.122 1.00 0.00 C ATOM 705 O PRO A 49 1.665 -15.129 9.971 1.00 0.00 O ATOM 706 CB PRO A 49 4.466 -16.148 10.904 1.00 0.00 C ATOM 707 CG PRO A 49 4.953 -14.815 10.432 1.00 0.00 C ATOM 708 CD PRO A 49 4.961 -14.857 8.925 1.00 0.00 C ATOM 0 HA PRO A 49 3.539 -17.720 9.690 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.947 -16.063 11.859 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.294 -16.841 11.052 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.303 -14.017 10.792 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.952 -14.611 10.817 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.661 -13.900 8.497 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.954 -15.083 8.537 1.00 0.00 H new ATOM 716 N LYS A 50 1.292 -17.215 10.559 1.00 0.00 N ATOM 717 CA LYS A 50 -0.137 -16.933 10.888 1.00 0.00 C ATOM 718 C LYS A 50 -0.257 -15.689 11.766 1.00 0.00 C ATOM 719 O LYS A 50 -1.255 -14.995 11.739 1.00 0.00 O ATOM 720 CB LYS A 50 -0.608 -18.173 11.648 1.00 0.00 C ATOM 721 CG LYS A 50 -2.107 -18.068 11.926 1.00 0.00 C ATOM 722 CD LYS A 50 -2.493 -19.087 13.001 1.00 0.00 C ATOM 723 CE LYS A 50 -3.767 -18.625 13.710 1.00 0.00 C ATOM 724 NZ LYS A 50 -3.308 -17.596 14.688 1.00 0.00 N ATOM 0 H LYS A 50 1.584 -18.182 10.703 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.734 -16.739 9.997 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.398 -19.070 11.065 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.060 -18.267 12.586 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.358 -17.060 12.257 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.672 -18.254 11.013 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.651 -20.066 12.549 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.682 -19.196 13.722 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.484 -18.207 13.003 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.263 -19.455 14.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.511 -17.921 15.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.284 -17.447 14.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.808 -16.702 14.511 1.00 0.00 H new ATOM 738 N ASN A 51 0.748 -15.391 12.538 1.00 0.00 N ATOM 739 CA ASN A 51 0.674 -14.181 13.403 1.00 0.00 C ATOM 740 C ASN A 51 0.541 -12.927 12.537 1.00 0.00 C ATOM 741 O ASN A 51 0.183 -11.869 13.015 1.00 0.00 O ATOM 742 CB ASN A 51 1.987 -14.167 14.186 1.00 0.00 C ATOM 743 CG ASN A 51 1.784 -14.857 15.537 1.00 0.00 C ATOM 744 OD1 ASN A 51 1.486 -14.213 16.524 1.00 0.00 O ATOM 745 ND2 ASN A 51 1.931 -16.151 15.625 1.00 0.00 N ATOM 0 H ASN A 51 1.612 -15.928 12.608 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.188 -14.198 14.069 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.766 -14.677 13.619 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.322 -13.141 14.337 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.796 -16.620 16.521 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.181 -16.693 14.798 1.00 0.00 H new ATOM 752 N GLN A 52 0.815 -13.034 11.266 1.00 0.00 N ATOM 753 CA GLN A 52 0.689 -11.846 10.380 1.00 0.00 C ATOM 754 C GLN A 52 -0.750 -11.716 9.867 1.00 0.00 C ATOM 755 O GLN A 52 -1.077 -10.789 9.151 1.00 0.00 O ATOM 756 CB GLN A 52 1.651 -12.112 9.222 1.00 0.00 C ATOM 757 CG GLN A 52 2.684 -10.985 9.147 1.00 0.00 C ATOM 758 CD GLN A 52 1.966 -9.648 8.949 1.00 0.00 C ATOM 759 OE1 GLN A 52 2.310 -8.663 9.571 1.00 0.00 O ATOM 760 NE2 GLN A 52 0.977 -9.573 8.102 1.00 0.00 N ATOM 0 H GLN A 52 1.120 -13.891 10.805 1.00 0.00 H new ATOM 0 HA GLN A 52 0.924 -10.917 10.899 1.00 0.00 H new ATOM 0 HB2 GLN A 52 2.152 -13.070 9.364 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.099 -12.177 8.284 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.277 -10.960 10.061 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.375 -11.165 8.323 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.689 -10.401 7.580 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.492 -8.687 7.962 1.00 0.00 H new ATOM 769 N PHE A 53 -1.619 -12.632 10.219 1.00 0.00 N ATOM 770 CA PHE A 53 -3.026 -12.533 9.734 1.00 0.00 C ATOM 771 C PHE A 53 -3.847 -11.625 10.653 1.00 0.00 C ATOM 772 O PHE A 53 -3.789 -11.732 11.862 1.00 0.00 O ATOM 773 CB PHE A 53 -3.570 -13.957 9.776 1.00 0.00 C ATOM 774 CG PHE A 53 -3.016 -14.745 8.614 1.00 0.00 C ATOM 775 CD1 PHE A 53 -1.651 -15.053 8.562 1.00 0.00 C ATOM 776 CD2 PHE A 53 -3.867 -15.169 7.587 1.00 0.00 C ATOM 777 CE1 PHE A 53 -1.138 -15.784 7.483 1.00 0.00 C ATOM 778 CE2 PHE A 53 -3.356 -15.900 6.508 1.00 0.00 C ATOM 779 CZ PHE A 53 -1.991 -16.207 6.456 1.00 0.00 C ATOM 0 H PHE A 53 -1.416 -13.435 10.815 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.079 -12.105 8.733 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.295 -14.435 10.716 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.659 -13.942 9.732 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.993 -14.727 9.354 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.920 -14.932 7.627 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.085 -16.021 7.443 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.014 -16.227 5.716 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.596 -16.770 5.624 1.00 0.00 H new ATOM 789 N LYS A 54 -4.615 -10.737 10.086 1.00 0.00 N ATOM 790 CA LYS A 54 -5.447 -9.825 10.922 1.00 0.00 C ATOM 791 C LYS A 54 -6.927 -10.023 10.588 1.00 0.00 C ATOM 792 O LYS A 54 -7.348 -9.838 9.463 1.00 0.00 O ATOM 793 CB LYS A 54 -4.990 -8.417 10.544 1.00 0.00 C ATOM 794 CG LYS A 54 -4.631 -7.641 11.811 1.00 0.00 C ATOM 795 CD LYS A 54 -5.903 -7.050 12.425 1.00 0.00 C ATOM 796 CE LYS A 54 -5.763 -5.530 12.527 1.00 0.00 C ATOM 797 NZ LYS A 54 -7.126 -5.047 12.892 1.00 0.00 N ATOM 0 H LYS A 54 -4.703 -10.603 9.079 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.332 -10.013 11.990 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.127 -8.469 9.880 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.781 -7.900 10.000 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.141 -8.300 12.527 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.925 -6.845 11.575 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.768 -7.306 11.813 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.075 -7.477 13.413 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.028 -5.250 13.282 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.430 -5.099 11.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.115 -4.011 12.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.802 -5.323 12.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.413 -5.470 13.798 1.00 0.00 H new ATOM 811 N SER A 55 -7.718 -10.405 11.551 1.00 0.00 N ATOM 812 CA SER A 55 -9.168 -10.623 11.279 1.00 0.00 C ATOM 813 C SER A 55 -9.781 -9.391 10.613 1.00 0.00 C ATOM 814 O SER A 55 -9.125 -8.394 10.389 1.00 0.00 O ATOM 815 CB SER A 55 -9.806 -10.852 12.645 1.00 0.00 C ATOM 816 OG SER A 55 -11.197 -10.578 12.571 1.00 0.00 O ATOM 0 H SER A 55 -7.425 -10.576 12.513 1.00 0.00 H new ATOM 0 HA SER A 55 -9.328 -11.464 10.605 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.644 -11.881 12.966 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.337 -10.209 13.389 1.00 0.00 H new ATOM 0 HG SER A 55 -11.607 -10.727 13.449 1.00 0.00 H new ATOM 822 N ILE A 56 -11.043 -9.462 10.304 1.00 0.00 N ATOM 823 CA ILE A 56 -11.728 -8.308 9.654 1.00 0.00 C ATOM 824 C ILE A 56 -13.244 -8.427 9.841 1.00 0.00 C ATOM 825 O ILE A 56 -13.930 -9.045 9.050 1.00 0.00 O ATOM 826 CB ILE A 56 -11.357 -8.406 8.173 1.00 0.00 C ATOM 827 CG1 ILE A 56 -12.066 -7.296 7.394 1.00 0.00 C ATOM 828 CG2 ILE A 56 -11.787 -9.769 7.626 1.00 0.00 C ATOM 829 CD1 ILE A 56 -11.160 -6.806 6.261 1.00 0.00 C ATOM 0 H ILE A 56 -11.636 -10.275 10.474 1.00 0.00 H new ATOM 0 HA ILE A 56 -11.428 -7.352 10.082 1.00 0.00 H new ATOM 0 HB ILE A 56 -10.278 -8.295 8.062 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -13.007 -7.667 6.987 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -12.311 -6.469 8.061 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -11.522 -9.838 6.571 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -11.280 -10.560 8.179 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -12.865 -9.882 7.738 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -11.666 -6.015 5.707 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -10.231 -6.419 6.680 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -10.937 -7.635 5.589 1.00 0.00 H new