USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=15 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 97:sc= 0.149 USER MOD Set 1.2: A 13 CYS SG : rot -136:sc= -0.756 USER MOD Set 1.3: A 43 CYS SG : rot 136:sc= -0.755 USER MOD Set 1.4: A 46 CYS SG : rot -75:sc= -3.67! 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 101:sc= 0.623 USER MOD Single : A 17 TYR OH : rot -139:sc= -0.384 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 85:sc= 1.3 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 48 SER OG : rot -87:sc= -3.56 USER MOD Single : A 50 LYS NZ :NH3+ -118:sc= 1.2 (180deg=-1.33) USER MOD Single : A 51 ASN : amide:sc= -0.0265 K(o=-0.026,f=-1.4!) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.514 F(o=-3.2,f=-0.51) USER MOD Single : A 54 LYS NZ :NH3+ 174:sc= 0.0876 (180deg=0.0819) USER MOD Single : A 55 SER OG : rot 180:sc= -0.859 USER MOD ----------------------------------------------------------------- ATOM 88 N LYS A 7 -12.895 -14.548 9.556 1.00 0.00 N ATOM 89 CA LYS A 7 -12.188 -14.214 8.286 1.00 0.00 C ATOM 90 C LYS A 7 -10.952 -13.363 8.598 1.00 0.00 C ATOM 91 O LYS A 7 -11.025 -12.403 9.339 1.00 0.00 O ATOM 92 CB LYS A 7 -13.198 -13.413 7.465 1.00 0.00 C ATOM 93 CG LYS A 7 -13.391 -14.082 6.102 1.00 0.00 C ATOM 94 CD LYS A 7 -14.885 -14.170 5.783 1.00 0.00 C ATOM 95 CE LYS A 7 -15.073 -14.723 4.369 1.00 0.00 C ATOM 96 NZ LYS A 7 -16.389 -14.185 3.920 1.00 0.00 N ATOM 0 HA LYS A 7 -11.848 -15.100 7.750 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -14.150 -13.357 7.993 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.846 -12.390 7.333 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.876 -13.511 5.329 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.950 -15.079 6.109 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -15.385 -14.814 6.506 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.344 -13.184 5.864 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.268 -14.401 3.708 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -15.070 -15.813 4.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.591 -14.520 2.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -17.136 -14.514 4.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -16.359 -13.145 3.926 1.00 0.00 H new ATOM 110 N TYR A 8 -9.816 -13.706 8.050 1.00 0.00 N ATOM 111 CA TYR A 8 -8.585 -12.906 8.337 1.00 0.00 C ATOM 112 C TYR A 8 -7.876 -12.512 7.039 1.00 0.00 C ATOM 113 O TYR A 8 -7.931 -13.216 6.051 1.00 0.00 O ATOM 114 CB TYR A 8 -7.690 -13.833 9.161 1.00 0.00 C ATOM 115 CG TYR A 8 -8.093 -13.775 10.612 1.00 0.00 C ATOM 116 CD1 TYR A 8 -9.277 -14.390 11.031 1.00 0.00 C ATOM 117 CD2 TYR A 8 -7.285 -13.107 11.540 1.00 0.00 C ATOM 118 CE1 TYR A 8 -9.657 -14.343 12.375 1.00 0.00 C ATOM 119 CE2 TYR A 8 -7.661 -13.059 12.888 1.00 0.00 C ATOM 120 CZ TYR A 8 -8.848 -13.677 13.306 1.00 0.00 C ATOM 121 OH TYR A 8 -9.220 -13.631 14.634 1.00 0.00 O ATOM 0 H TYR A 8 -9.686 -14.498 7.421 1.00 0.00 H new ATOM 0 HA TYR A 8 -8.821 -11.980 8.862 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -7.772 -14.855 8.792 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -6.646 -13.538 9.052 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -9.900 -14.903 10.313 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -6.372 -12.629 11.216 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.572 -14.819 12.696 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.037 -12.546 13.605 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.549 -13.132 15.145 1.00 0.00 H new ATOM 131 N GLU A 9 -7.196 -11.396 7.041 1.00 0.00 N ATOM 132 CA GLU A 9 -6.470 -10.962 5.813 1.00 0.00 C ATOM 133 C GLU A 9 -4.971 -10.826 6.114 1.00 0.00 C ATOM 134 O GLU A 9 -4.580 -10.372 7.171 1.00 0.00 O ATOM 135 CB GLU A 9 -7.083 -9.608 5.437 1.00 0.00 C ATOM 136 CG GLU A 9 -6.769 -8.571 6.519 1.00 0.00 C ATOM 137 CD GLU A 9 -7.201 -7.185 6.037 1.00 0.00 C ATOM 138 OE1 GLU A 9 -6.935 -6.869 4.889 1.00 0.00 O ATOM 139 OE2 GLU A 9 -7.791 -6.462 6.824 1.00 0.00 O ATOM 0 H GLU A 9 -7.112 -10.767 7.840 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.565 -11.679 4.997 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.688 -9.275 4.477 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.162 -9.708 5.320 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.289 -8.825 7.443 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.702 -8.574 6.742 1.00 0.00 H new ATOM 146 N CYS A 10 -4.130 -11.226 5.197 1.00 0.00 N ATOM 147 CA CYS A 10 -2.660 -11.125 5.437 1.00 0.00 C ATOM 148 C CYS A 10 -2.176 -9.701 5.185 1.00 0.00 C ATOM 149 O CYS A 10 -2.185 -9.223 4.068 1.00 0.00 O ATOM 150 CB CYS A 10 -2.025 -12.064 4.416 1.00 0.00 C ATOM 151 SG CYS A 10 -0.382 -12.574 4.973 1.00 0.00 S ATOM 0 H CYS A 10 -4.397 -11.618 4.294 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.401 -11.384 6.464 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.657 -12.941 4.275 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.951 -11.565 3.450 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.464 -13.728 5.566 1.00 0.00 H new ATOM 156 N GLU A 11 -1.731 -9.024 6.202 1.00 0.00 N ATOM 157 CA GLU A 11 -1.224 -7.641 5.993 1.00 0.00 C ATOM 158 C GLU A 11 0.106 -7.690 5.233 1.00 0.00 C ATOM 159 O GLU A 11 0.611 -6.683 4.777 1.00 0.00 O ATOM 160 CB GLU A 11 -1.015 -7.081 7.398 1.00 0.00 C ATOM 161 CG GLU A 11 -1.918 -5.860 7.602 1.00 0.00 C ATOM 162 CD GLU A 11 -2.001 -5.520 9.093 1.00 0.00 C ATOM 163 OE1 GLU A 11 -1.527 -6.312 9.893 1.00 0.00 O ATOM 164 OE2 GLU A 11 -2.537 -4.471 9.411 1.00 0.00 O ATOM 0 H GLU A 11 -1.696 -9.364 7.163 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.910 -7.027 5.410 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.243 -7.844 8.142 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.029 -6.802 7.538 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.525 -5.008 7.047 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.914 -6.063 7.210 1.00 0.00 H new ATOM 171 N ALA A 12 0.685 -8.857 5.108 1.00 0.00 N ATOM 172 CA ALA A 12 1.989 -8.974 4.396 1.00 0.00 C ATOM 173 C ALA A 12 1.798 -9.108 2.879 1.00 0.00 C ATOM 174 O ALA A 12 2.540 -8.529 2.109 1.00 0.00 O ATOM 175 CB ALA A 12 2.631 -10.237 4.965 1.00 0.00 C ATOM 0 H ALA A 12 0.309 -9.734 5.469 1.00 0.00 H new ATOM 0 HA ALA A 12 2.604 -8.086 4.543 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.600 -10.397 4.492 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.767 -10.123 6.041 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.985 -11.093 4.769 1.00 0.00 H new ATOM 181 N CYS A 13 0.834 -9.875 2.431 1.00 0.00 N ATOM 182 CA CYS A 13 0.659 -10.029 0.955 1.00 0.00 C ATOM 183 C CYS A 13 -0.749 -9.601 0.505 1.00 0.00 C ATOM 184 O CYS A 13 -0.929 -9.085 -0.579 1.00 0.00 O ATOM 185 CB CYS A 13 0.940 -11.519 0.675 1.00 0.00 C ATOM 186 SG CYS A 13 -0.478 -12.553 1.133 1.00 0.00 S ATOM 0 H CYS A 13 0.173 -10.392 3.011 1.00 0.00 H new ATOM 0 HA CYS A 13 1.335 -9.386 0.391 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.167 -11.656 -0.382 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.820 -11.837 1.234 1.00 0.00 H new ATOM 0 HG CYS A 13 -0.060 -13.604 1.774 1.00 0.00 H new ATOM 191 N GLY A 14 -1.743 -9.801 1.327 1.00 0.00 N ATOM 192 CA GLY A 14 -3.127 -9.393 0.933 1.00 0.00 C ATOM 193 C GLY A 14 -4.011 -10.632 0.757 1.00 0.00 C ATOM 194 O GLY A 14 -5.029 -10.591 0.095 1.00 0.00 O ATOM 0 H GLY A 14 -1.660 -10.227 2.250 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.552 -8.738 1.694 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.096 -8.824 0.004 1.00 0.00 H new ATOM 198 N TYR A 15 -3.632 -11.729 1.346 1.00 0.00 N ATOM 199 CA TYR A 15 -4.450 -12.971 1.219 1.00 0.00 C ATOM 200 C TYR A 15 -5.613 -12.934 2.215 1.00 0.00 C ATOM 201 O TYR A 15 -5.664 -12.096 3.093 1.00 0.00 O ATOM 202 CB TYR A 15 -3.484 -14.112 1.552 1.00 0.00 C ATOM 203 CG TYR A 15 -4.237 -15.422 1.597 1.00 0.00 C ATOM 204 CD1 TYR A 15 -4.387 -16.184 0.433 1.00 0.00 C ATOM 205 CD2 TYR A 15 -4.784 -15.871 2.804 1.00 0.00 C ATOM 206 CE1 TYR A 15 -5.085 -17.397 0.476 1.00 0.00 C ATOM 207 CE2 TYR A 15 -5.482 -17.083 2.847 1.00 0.00 C ATOM 208 CZ TYR A 15 -5.632 -17.847 1.683 1.00 0.00 C ATOM 209 OH TYR A 15 -6.321 -19.041 1.725 1.00 0.00 O ATOM 0 H TYR A 15 -2.789 -11.822 1.912 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.887 -13.087 0.227 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -2.693 -14.162 0.803 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.003 -13.925 2.512 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.965 -15.837 -0.498 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.668 -15.282 3.702 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -5.201 -17.985 -0.422 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.905 -17.429 3.778 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.741 -19.741 2.091 1.00 0.00 H new ATOM 219 N ILE A 16 -6.548 -13.835 2.084 1.00 0.00 N ATOM 220 CA ILE A 16 -7.706 -13.847 3.025 1.00 0.00 C ATOM 221 C ILE A 16 -7.993 -15.275 3.491 1.00 0.00 C ATOM 222 O ILE A 16 -8.348 -16.135 2.709 1.00 0.00 O ATOM 223 CB ILE A 16 -8.878 -13.296 2.214 1.00 0.00 C ATOM 224 CG1 ILE A 16 -8.602 -11.833 1.860 1.00 0.00 C ATOM 225 CG2 ILE A 16 -10.170 -13.396 3.032 1.00 0.00 C ATOM 226 CD1 ILE A 16 -8.548 -10.990 3.137 1.00 0.00 C ATOM 0 H ILE A 16 -6.561 -14.562 1.368 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.519 -13.256 3.921 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.992 -13.878 1.299 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.659 -11.752 1.320 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.382 -11.457 1.198 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.002 -13.002 2.448 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.364 -14.440 3.280 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.065 -12.818 3.950 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.351 -9.950 2.878 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.502 -11.060 3.660 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.752 -11.360 3.784 1.00 0.00 H new ATOM 238 N TYR A 17 -7.845 -15.533 4.760 1.00 0.00 N ATOM 239 CA TYR A 17 -8.113 -16.905 5.276 1.00 0.00 C ATOM 240 C TYR A 17 -9.619 -17.110 5.470 1.00 0.00 C ATOM 241 O TYR A 17 -10.301 -16.284 6.047 1.00 0.00 O ATOM 242 CB TYR A 17 -7.375 -16.985 6.619 1.00 0.00 C ATOM 243 CG TYR A 17 -7.775 -18.250 7.349 1.00 0.00 C ATOM 244 CD1 TYR A 17 -7.315 -19.495 6.900 1.00 0.00 C ATOM 245 CD2 TYR A 17 -8.616 -18.177 8.467 1.00 0.00 C ATOM 246 CE1 TYR A 17 -7.694 -20.664 7.570 1.00 0.00 C ATOM 247 CE2 TYR A 17 -8.995 -19.348 9.136 1.00 0.00 C ATOM 248 CZ TYR A 17 -8.533 -20.592 8.688 1.00 0.00 C ATOM 249 OH TYR A 17 -8.906 -21.745 9.347 1.00 0.00 O ATOM 0 H TYR A 17 -7.550 -14.854 5.462 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.774 -17.678 4.586 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.298 -16.975 6.454 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.612 -16.112 7.228 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.668 -19.553 6.037 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.972 -17.218 8.813 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.338 -21.623 7.224 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.644 -19.292 9.998 1.00 0.00 H new ATOM 0 HH TYR A 17 -9.851 -21.687 9.599 1.00 0.00 H new ATOM 259 N GLU A 18 -10.134 -18.214 5.001 1.00 0.00 N ATOM 260 CA GLU A 18 -11.588 -18.492 5.161 1.00 0.00 C ATOM 261 C GLU A 18 -11.784 -19.702 6.088 1.00 0.00 C ATOM 262 O GLU A 18 -11.411 -20.805 5.740 1.00 0.00 O ATOM 263 CB GLU A 18 -12.086 -18.812 3.751 1.00 0.00 C ATOM 264 CG GLU A 18 -11.993 -17.558 2.878 1.00 0.00 C ATOM 265 CD GLU A 18 -12.808 -17.766 1.598 1.00 0.00 C ATOM 266 OE1 GLU A 18 -14.009 -17.564 1.644 1.00 0.00 O ATOM 267 OE2 GLU A 18 -12.214 -18.124 0.594 1.00 0.00 O ATOM 0 H GLU A 18 -9.607 -18.938 4.512 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.129 -17.655 5.602 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.490 -19.615 3.317 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.116 -19.165 3.790 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.368 -16.693 3.424 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.952 -17.351 2.630 1.00 0.00 H new ATOM 274 N PRO A 19 -12.362 -19.464 7.242 1.00 0.00 N ATOM 275 CA PRO A 19 -12.593 -20.567 8.209 1.00 0.00 C ATOM 276 C PRO A 19 -13.700 -21.495 7.721 1.00 0.00 C ATOM 277 O PRO A 19 -13.474 -22.653 7.433 1.00 0.00 O ATOM 278 CB PRO A 19 -13.002 -19.846 9.488 1.00 0.00 C ATOM 279 CG PRO A 19 -13.536 -18.519 9.049 1.00 0.00 C ATOM 280 CD PRO A 19 -12.852 -18.172 7.750 1.00 0.00 C ATOM 0 HA PRO A 19 -11.717 -21.201 8.347 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.758 -20.412 10.032 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.151 -19.724 10.158 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.617 -18.564 8.915 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.340 -17.757 9.803 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.543 -17.705 7.049 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -12.033 -17.469 7.906 1.00 0.00 H new ATOM 288 N GLU A 20 -14.895 -20.990 7.635 1.00 0.00 N ATOM 289 CA GLU A 20 -16.046 -21.824 7.169 1.00 0.00 C ATOM 290 C GLU A 20 -15.661 -22.637 5.927 1.00 0.00 C ATOM 291 O GLU A 20 -16.200 -23.695 5.674 1.00 0.00 O ATOM 292 CB GLU A 20 -17.145 -20.819 6.824 1.00 0.00 C ATOM 293 CG GLU A 20 -18.090 -20.667 8.018 1.00 0.00 C ATOM 294 CD GLU A 20 -19.537 -20.646 7.523 1.00 0.00 C ATOM 295 OE1 GLU A 20 -19.885 -21.509 6.734 1.00 0.00 O ATOM 296 OE2 GLU A 20 -20.273 -19.768 7.942 1.00 0.00 O ATOM 0 H GLU A 20 -15.132 -20.026 7.869 1.00 0.00 H new ATOM 0 HA GLU A 20 -16.362 -22.541 7.927 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -16.704 -19.855 6.570 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -17.699 -21.156 5.948 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -17.945 -21.491 8.717 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -17.866 -19.747 8.558 1.00 0.00 H new ATOM 303 N LYS A 21 -14.728 -22.150 5.155 1.00 0.00 N ATOM 304 CA LYS A 21 -14.307 -22.895 3.935 1.00 0.00 C ATOM 305 C LYS A 21 -13.038 -23.697 4.224 1.00 0.00 C ATOM 306 O LYS A 21 -12.856 -24.790 3.725 1.00 0.00 O ATOM 307 CB LYS A 21 -14.043 -21.819 2.879 1.00 0.00 C ATOM 308 CG LYS A 21 -15.283 -20.936 2.726 1.00 0.00 C ATOM 309 CD LYS A 21 -15.911 -21.166 1.349 1.00 0.00 C ATOM 310 CE LYS A 21 -16.899 -22.332 1.426 1.00 0.00 C ATOM 311 NZ LYS A 21 -18.245 -21.692 1.431 1.00 0.00 N ATOM 0 H LYS A 21 -14.240 -21.269 5.316 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.062 -23.607 3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -13.186 -21.212 3.170 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.795 -22.284 1.925 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.005 -21.167 3.509 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.011 -19.887 2.842 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.423 -20.263 1.016 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.135 -21.381 0.615 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.784 -23.004 0.576 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.740 -22.926 2.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.979 -22.427 1.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -18.327 -21.063 2.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -18.370 -21.139 0.559 1.00 0.00 H new ATOM 325 N GLY A 22 -12.163 -23.168 5.030 1.00 0.00 N ATOM 326 CA GLY A 22 -10.912 -23.905 5.357 1.00 0.00 C ATOM 327 C GLY A 22 -9.859 -23.649 4.279 1.00 0.00 C ATOM 328 O GLY A 22 -10.170 -23.441 3.123 1.00 0.00 O ATOM 0 H GLY A 22 -12.260 -22.256 5.477 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.535 -23.586 6.329 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.118 -24.973 5.430 1.00 0.00 H new ATOM 332 N ASP A 23 -8.611 -23.672 4.654 1.00 0.00 N ATOM 333 CA ASP A 23 -7.524 -23.441 3.666 1.00 0.00 C ATOM 334 C ASP A 23 -7.175 -24.755 2.966 1.00 0.00 C ATOM 335 O ASP A 23 -6.072 -25.251 3.072 1.00 0.00 O ATOM 336 CB ASP A 23 -6.339 -22.938 4.490 1.00 0.00 C ATOM 337 CG ASP A 23 -5.696 -21.746 3.779 1.00 0.00 C ATOM 338 OD1 ASP A 23 -5.856 -21.644 2.573 1.00 0.00 O ATOM 339 OD2 ASP A 23 -5.057 -20.954 4.452 1.00 0.00 O ATOM 0 H ASP A 23 -8.296 -23.842 5.609 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.807 -22.729 2.891 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.672 -22.645 5.486 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.608 -23.736 4.620 1.00 0.00 H new ATOM 344 N LYS A 24 -8.115 -25.321 2.259 1.00 0.00 N ATOM 345 CA LYS A 24 -7.861 -26.612 1.544 1.00 0.00 C ATOM 346 C LYS A 24 -6.510 -26.579 0.817 1.00 0.00 C ATOM 347 O LYS A 24 -5.882 -27.597 0.606 1.00 0.00 O ATOM 348 CB LYS A 24 -9.003 -26.732 0.534 1.00 0.00 C ATOM 349 CG LYS A 24 -9.878 -27.934 0.889 1.00 0.00 C ATOM 350 CD LYS A 24 -10.887 -28.175 -0.234 1.00 0.00 C ATOM 351 CE LYS A 24 -12.133 -28.853 0.338 1.00 0.00 C ATOM 352 NZ LYS A 24 -12.993 -27.731 0.809 1.00 0.00 N ATOM 0 H LYS A 24 -9.056 -24.944 2.143 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.823 -27.456 2.233 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.601 -25.821 0.536 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.601 -26.847 -0.473 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.259 -28.819 1.033 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.399 -27.754 1.829 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.158 -27.229 -0.704 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.443 -28.800 -1.009 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.641 -29.450 -0.419 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.877 -29.526 1.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.870 -28.113 1.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.485 -27.184 1.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.225 -27.111 0.007 1.00 0.00 H new ATOM 366 N PHE A 25 -6.062 -25.414 0.435 1.00 0.00 N ATOM 367 CA PHE A 25 -4.754 -25.313 -0.277 1.00 0.00 C ATOM 368 C PHE A 25 -3.597 -25.511 0.708 1.00 0.00 C ATOM 369 O PHE A 25 -2.521 -25.937 0.338 1.00 0.00 O ATOM 370 CB PHE A 25 -4.730 -23.899 -0.855 1.00 0.00 C ATOM 371 CG PHE A 25 -4.554 -23.967 -2.354 1.00 0.00 C ATOM 372 CD1 PHE A 25 -5.632 -24.330 -3.171 1.00 0.00 C ATOM 373 CD2 PHE A 25 -3.312 -23.667 -2.927 1.00 0.00 C ATOM 374 CE1 PHE A 25 -5.468 -24.392 -4.559 1.00 0.00 C ATOM 375 CE2 PHE A 25 -3.149 -23.729 -4.317 1.00 0.00 C ATOM 376 CZ PHE A 25 -4.228 -24.092 -5.132 1.00 0.00 C ATOM 0 H PHE A 25 -6.544 -24.528 0.585 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.644 -26.073 -1.050 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.657 -23.380 -0.611 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.917 -23.327 -0.409 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -6.590 -24.562 -2.730 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.480 -23.388 -2.298 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.300 -24.672 -5.189 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.192 -23.497 -4.760 1.00 0.00 H new ATOM 0 HZ PHE A 25 -4.103 -24.140 -6.204 1.00 0.00 H new ATOM 386 N ALA A 26 -3.810 -25.206 1.959 1.00 0.00 N ATOM 387 CA ALA A 26 -2.722 -25.378 2.966 1.00 0.00 C ATOM 388 C ALA A 26 -2.934 -26.667 3.763 1.00 0.00 C ATOM 389 O ALA A 26 -2.000 -27.249 4.278 1.00 0.00 O ATOM 390 CB ALA A 26 -2.832 -24.157 3.880 1.00 0.00 C ATOM 0 H ALA A 26 -4.690 -24.845 2.328 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.739 -25.453 2.502 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.063 -24.209 4.651 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.696 -23.249 3.292 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.816 -24.141 4.349 1.00 0.00 H new ATOM 396 N GLY A 27 -4.154 -27.121 3.866 1.00 0.00 N ATOM 397 CA GLY A 27 -4.418 -28.378 4.625 1.00 0.00 C ATOM 398 C GLY A 27 -5.409 -28.112 5.763 1.00 0.00 C ATOM 399 O GLY A 27 -5.509 -28.880 6.698 1.00 0.00 O ATOM 0 H GLY A 27 -4.977 -26.678 3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.819 -29.139 3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.485 -28.770 5.030 1.00 0.00 H new ATOM 403 N ILE A 28 -6.148 -27.037 5.696 1.00 0.00 N ATOM 404 CA ILE A 28 -7.130 -26.743 6.777 1.00 0.00 C ATOM 405 C ILE A 28 -8.560 -26.895 6.234 1.00 0.00 C ATOM 406 O ILE A 28 -8.959 -26.167 5.346 1.00 0.00 O ATOM 407 CB ILE A 28 -6.845 -25.291 7.180 1.00 0.00 C ATOM 408 CG1 ILE A 28 -5.500 -25.221 7.906 1.00 0.00 C ATOM 409 CG2 ILE A 28 -7.950 -24.781 8.111 1.00 0.00 C ATOM 410 CD1 ILE A 28 -4.663 -24.084 7.318 1.00 0.00 C ATOM 0 H ILE A 28 -6.114 -26.352 4.941 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.041 -27.420 7.626 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.814 -24.670 6.285 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.658 -25.057 8.972 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.970 -26.168 7.804 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.741 -23.749 8.393 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.910 -24.829 7.597 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.987 -25.402 9.006 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.704 -24.033 7.834 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.494 -24.268 6.257 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.193 -23.140 7.443 1.00 0.00 H new ATOM 422 N PRO A 29 -9.290 -27.838 6.780 1.00 0.00 N ATOM 423 CA PRO A 29 -10.685 -28.069 6.324 1.00 0.00 C ATOM 424 C PRO A 29 -11.594 -26.914 6.761 1.00 0.00 C ATOM 425 O PRO A 29 -11.177 -26.051 7.509 1.00 0.00 O ATOM 426 CB PRO A 29 -11.083 -29.367 7.021 1.00 0.00 C ATOM 427 CG PRO A 29 -10.199 -29.442 8.225 1.00 0.00 C ATOM 428 CD PRO A 29 -8.905 -28.765 7.854 1.00 0.00 C ATOM 0 HA PRO A 29 -10.773 -28.129 5.239 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -12.136 -29.357 7.303 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -10.936 -30.227 6.368 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -10.664 -28.948 9.078 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -10.025 -30.479 8.513 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -8.472 -28.236 8.703 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.160 -29.484 7.514 1.00 0.00 H new ATOM 436 N PRO A 30 -12.813 -26.932 6.278 1.00 0.00 N ATOM 437 CA PRO A 30 -13.784 -25.867 6.628 1.00 0.00 C ATOM 438 C PRO A 30 -14.190 -25.987 8.095 1.00 0.00 C ATOM 439 O PRO A 30 -13.548 -26.662 8.876 1.00 0.00 O ATOM 440 CB PRO A 30 -14.974 -26.149 5.715 1.00 0.00 C ATOM 441 CG PRO A 30 -14.872 -27.604 5.405 1.00 0.00 C ATOM 442 CD PRO A 30 -13.403 -27.934 5.377 1.00 0.00 C ATOM 0 HA PRO A 30 -13.384 -24.862 6.498 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -15.917 -25.914 6.208 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -14.930 -25.546 4.808 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -15.389 -28.198 6.159 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -15.339 -27.830 4.446 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.212 -28.949 5.725 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.993 -27.860 4.370 1.00 0.00 H new ATOM 450 N GLY A 31 -15.255 -25.340 8.470 1.00 0.00 N ATOM 451 CA GLY A 31 -15.726 -25.407 9.887 1.00 0.00 C ATOM 452 C GLY A 31 -14.553 -25.171 10.847 1.00 0.00 C ATOM 453 O GLY A 31 -14.555 -25.642 11.968 1.00 0.00 O ATOM 0 H GLY A 31 -15.827 -24.762 7.854 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.500 -24.659 10.056 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -16.175 -26.381 10.083 1.00 0.00 H new ATOM 457 N THR A 32 -13.552 -24.449 10.420 1.00 0.00 N ATOM 458 CA THR A 32 -12.386 -24.192 11.314 1.00 0.00 C ATOM 459 C THR A 32 -12.081 -22.686 11.371 1.00 0.00 C ATOM 460 O THR A 32 -11.790 -22.082 10.358 1.00 0.00 O ATOM 461 CB THR A 32 -11.222 -24.949 10.672 1.00 0.00 C ATOM 462 OG1 THR A 32 -11.548 -26.329 10.590 1.00 0.00 O ATOM 463 CG2 THR A 32 -9.965 -24.768 11.522 1.00 0.00 C ATOM 0 H THR A 32 -13.491 -24.027 9.493 1.00 0.00 H new ATOM 0 HA THR A 32 -12.571 -24.518 12.338 1.00 0.00 H new ATOM 0 HB THR A 32 -11.039 -24.558 9.671 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.067 -26.495 9.776 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.136 -25.307 11.065 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.718 -23.708 11.585 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.144 -25.159 12.524 1.00 0.00 H new ATOM 471 N PRO A 33 -12.159 -22.122 12.555 1.00 0.00 N ATOM 472 CA PRO A 33 -11.888 -20.671 12.720 1.00 0.00 C ATOM 473 C PRO A 33 -10.387 -20.379 12.606 1.00 0.00 C ATOM 474 O PRO A 33 -9.557 -21.250 12.778 1.00 0.00 O ATOM 475 CB PRO A 33 -12.391 -20.370 14.128 1.00 0.00 C ATOM 476 CG PRO A 33 -12.320 -21.675 14.855 1.00 0.00 C ATOM 477 CD PRO A 33 -12.503 -22.766 13.833 1.00 0.00 C ATOM 0 HA PRO A 33 -12.371 -20.061 11.956 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.774 -19.614 14.614 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.410 -19.985 14.108 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.361 -21.781 15.363 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -13.094 -21.731 15.620 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.854 -23.617 14.038 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -13.527 -23.140 13.828 1.00 0.00 H new ATOM 485 N PHE A 34 -10.039 -19.153 12.320 1.00 0.00 N ATOM 486 CA PHE A 34 -8.596 -18.789 12.195 1.00 0.00 C ATOM 487 C PHE A 34 -7.896 -18.930 13.552 1.00 0.00 C ATOM 488 O PHE A 34 -6.713 -19.197 13.626 1.00 0.00 O ATOM 489 CB PHE A 34 -8.609 -17.327 11.727 1.00 0.00 C ATOM 490 CG PHE A 34 -7.221 -16.728 11.820 1.00 0.00 C ATOM 491 CD1 PHE A 34 -6.333 -16.843 10.745 1.00 0.00 C ATOM 492 CD2 PHE A 34 -6.828 -16.053 12.983 1.00 0.00 C ATOM 493 CE1 PHE A 34 -5.053 -16.283 10.832 1.00 0.00 C ATOM 494 CE2 PHE A 34 -5.549 -15.493 13.069 1.00 0.00 C ATOM 495 CZ PHE A 34 -4.660 -15.608 11.994 1.00 0.00 C ATOM 0 H PHE A 34 -10.693 -18.385 12.167 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.055 -19.433 11.502 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.967 -17.271 10.699 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -9.302 -16.749 12.338 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.635 -17.364 9.848 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.513 -15.965 13.814 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.368 -16.372 10.002 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.247 -14.972 13.965 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.672 -15.177 12.061 1.00 0.00 H new ATOM 505 N VAL A 35 -8.617 -18.750 14.623 1.00 0.00 N ATOM 506 CA VAL A 35 -7.995 -18.867 15.973 1.00 0.00 C ATOM 507 C VAL A 35 -7.618 -20.323 16.275 1.00 0.00 C ATOM 508 O VAL A 35 -6.941 -20.606 17.244 1.00 0.00 O ATOM 509 CB VAL A 35 -9.074 -18.379 16.941 1.00 0.00 C ATOM 510 CG1 VAL A 35 -9.485 -16.954 16.567 1.00 0.00 C ATOM 511 CG2 VAL A 35 -10.293 -19.300 16.857 1.00 0.00 C ATOM 0 H VAL A 35 -9.612 -18.526 14.623 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.075 -18.288 16.052 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.681 -18.391 17.958 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.254 -16.604 17.256 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.617 -16.297 16.628 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.877 -16.943 15.550 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.061 -18.951 17.547 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.687 -19.290 15.841 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.001 -20.316 17.123 1.00 0.00 H new ATOM 521 N ASP A 36 -8.046 -21.251 15.459 1.00 0.00 N ATOM 522 CA ASP A 36 -7.704 -22.680 15.715 1.00 0.00 C ATOM 523 C ASP A 36 -6.630 -23.170 14.734 1.00 0.00 C ATOM 524 O ASP A 36 -6.191 -24.302 14.803 1.00 0.00 O ATOM 525 CB ASP A 36 -9.013 -23.442 15.502 1.00 0.00 C ATOM 526 CG ASP A 36 -9.719 -23.633 16.845 1.00 0.00 C ATOM 527 OD1 ASP A 36 -9.816 -22.667 17.585 1.00 0.00 O ATOM 528 OD2 ASP A 36 -10.153 -24.741 17.112 1.00 0.00 O ATOM 0 H ASP A 36 -8.615 -21.081 14.630 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.298 -22.828 16.716 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.658 -22.893 14.816 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.812 -24.411 15.044 1.00 0.00 H new ATOM 533 N LEU A 37 -6.200 -22.337 13.820 1.00 0.00 N ATOM 534 CA LEU A 37 -5.157 -22.775 12.844 1.00 0.00 C ATOM 535 C LEU A 37 -3.956 -23.371 13.583 1.00 0.00 C ATOM 536 O LEU A 37 -3.781 -23.168 14.768 1.00 0.00 O ATOM 537 CB LEU A 37 -4.750 -21.505 12.095 1.00 0.00 C ATOM 538 CG LEU A 37 -5.837 -21.139 11.083 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.479 -19.816 10.401 1.00 0.00 C ATOM 540 CD2 LEU A 37 -5.945 -22.242 10.028 1.00 0.00 C ATOM 0 H LEU A 37 -6.525 -21.377 13.708 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.527 -23.545 12.166 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.603 -20.686 12.799 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.800 -21.660 11.584 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.791 -21.034 11.600 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.254 -19.557 9.680 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.403 -19.029 11.151 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.524 -19.919 9.885 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.720 -21.981 9.307 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.990 -22.347 9.513 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.202 -23.184 10.512 1.00 0.00 H new ATOM 552 N SER A 38 -3.128 -24.106 12.891 1.00 0.00 N ATOM 553 CA SER A 38 -1.937 -24.719 13.551 1.00 0.00 C ATOM 554 C SER A 38 -1.172 -23.666 14.359 1.00 0.00 C ATOM 555 O SER A 38 -1.378 -22.478 14.201 1.00 0.00 O ATOM 556 CB SER A 38 -1.075 -25.247 12.404 1.00 0.00 C ATOM 557 OG SER A 38 -0.116 -26.161 12.913 1.00 0.00 O ATOM 0 H SER A 38 -3.224 -24.309 11.896 1.00 0.00 H new ATOM 0 HA SER A 38 -2.216 -25.509 14.249 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.702 -25.739 11.660 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.574 -24.420 11.902 1.00 0.00 H new ATOM 0 HG SER A 38 0.435 -26.500 12.177 1.00 0.00 H new ATOM 563 N ASP A 39 -0.296 -24.091 15.227 1.00 0.00 N ATOM 564 CA ASP A 39 0.476 -23.115 16.048 1.00 0.00 C ATOM 565 C ASP A 39 1.376 -22.263 15.150 1.00 0.00 C ATOM 566 O ASP A 39 1.728 -21.150 15.488 1.00 0.00 O ATOM 567 CB ASP A 39 1.318 -23.971 16.992 1.00 0.00 C ATOM 568 CG ASP A 39 0.670 -23.993 18.376 1.00 0.00 C ATOM 569 OD1 ASP A 39 -0.293 -24.723 18.547 1.00 0.00 O ATOM 570 OD2 ASP A 39 1.146 -23.279 19.244 1.00 0.00 O ATOM 0 H ASP A 39 -0.081 -25.072 15.404 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.173 -22.427 16.590 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.402 -24.985 16.602 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.329 -23.570 17.059 1.00 0.00 H new ATOM 575 N SER A 40 1.756 -22.777 14.014 1.00 0.00 N ATOM 576 CA SER A 40 2.637 -21.994 13.102 1.00 0.00 C ATOM 577 C SER A 40 2.085 -22.018 11.673 1.00 0.00 C ATOM 578 O SER A 40 2.782 -22.349 10.736 1.00 0.00 O ATOM 579 CB SER A 40 3.993 -22.698 13.167 1.00 0.00 C ATOM 580 OG SER A 40 3.834 -24.064 12.817 1.00 0.00 O ATOM 0 H SER A 40 1.495 -23.704 13.677 1.00 0.00 H new ATOM 0 HA SER A 40 2.705 -20.946 13.393 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.697 -22.217 12.488 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.410 -22.615 14.171 1.00 0.00 H new ATOM 0 HG SER A 40 4.703 -24.515 12.857 1.00 0.00 H new ATOM 586 N PHE A 41 0.840 -21.666 11.499 1.00 0.00 N ATOM 587 CA PHE A 41 0.252 -21.667 10.128 1.00 0.00 C ATOM 588 C PHE A 41 0.980 -20.641 9.250 1.00 0.00 C ATOM 589 O PHE A 41 1.183 -19.507 9.638 1.00 0.00 O ATOM 590 CB PHE A 41 -1.228 -21.294 10.331 1.00 0.00 C ATOM 591 CG PHE A 41 -1.844 -20.825 9.027 1.00 0.00 C ATOM 592 CD1 PHE A 41 -2.260 -21.758 8.069 1.00 0.00 C ATOM 593 CD2 PHE A 41 -1.994 -19.455 8.780 1.00 0.00 C ATOM 594 CE1 PHE A 41 -2.825 -21.320 6.865 1.00 0.00 C ATOM 595 CE2 PHE A 41 -2.559 -19.017 7.575 1.00 0.00 C ATOM 596 CZ PHE A 41 -2.974 -19.950 6.618 1.00 0.00 C ATOM 0 H PHE A 41 0.206 -21.378 12.244 1.00 0.00 H new ATOM 0 HA PHE A 41 0.350 -22.628 9.623 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.777 -22.156 10.710 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.311 -20.508 11.082 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.145 -22.815 8.259 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.674 -18.735 9.519 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.146 -22.040 6.126 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.674 -17.960 7.385 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.409 -19.613 5.689 1.00 0.00 H new ATOM 606 N MET A 42 1.367 -21.032 8.067 1.00 0.00 N ATOM 607 CA MET A 42 2.074 -20.082 7.161 1.00 0.00 C ATOM 608 C MET A 42 1.165 -19.719 5.985 1.00 0.00 C ATOM 609 O MET A 42 0.407 -20.536 5.501 1.00 0.00 O ATOM 610 CB MET A 42 3.316 -20.830 6.674 1.00 0.00 C ATOM 611 CG MET A 42 4.105 -21.352 7.878 1.00 0.00 C ATOM 612 SD MET A 42 5.879 -21.210 7.543 1.00 0.00 S ATOM 613 CE MET A 42 6.346 -20.455 9.120 1.00 0.00 C ATOM 0 H MET A 42 1.224 -21.968 7.688 1.00 0.00 H new ATOM 0 HA MET A 42 2.342 -19.152 7.662 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.024 -21.660 6.030 1.00 0.00 H new ATOM 0 HB3 MET A 42 3.941 -20.167 6.076 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.846 -20.783 8.771 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.843 -22.392 8.075 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.421 -20.276 9.133 1.00 0.00 H new ATOM 0 HE2 MET A 42 5.819 -19.509 9.241 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.080 -21.125 9.937 1.00 0.00 H new ATOM 623 N CYS A 43 1.225 -18.499 5.528 1.00 0.00 N ATOM 624 CA CYS A 43 0.354 -18.089 4.391 1.00 0.00 C ATOM 625 C CYS A 43 0.562 -19.014 3.187 1.00 0.00 C ATOM 626 O CYS A 43 1.683 -19.350 2.856 1.00 0.00 O ATOM 627 CB CYS A 43 0.800 -16.674 4.038 1.00 0.00 C ATOM 628 SG CYS A 43 -0.475 -15.870 3.038 1.00 0.00 S ATOM 0 H CYS A 43 1.838 -17.769 5.892 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.702 -18.140 4.656 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.979 -16.100 4.947 1.00 0.00 H new ATOM 0 HB3 CYS A 43 1.742 -16.704 3.490 1.00 0.00 H new ATOM 0 HG CYS A 43 -0.663 -14.657 3.467 1.00 0.00 H new ATOM 633 N PRO A 44 -0.523 -19.387 2.554 1.00 0.00 N ATOM 634 CA PRO A 44 -0.432 -20.263 1.367 1.00 0.00 C ATOM 635 C PRO A 44 0.003 -19.451 0.138 1.00 0.00 C ATOM 636 O PRO A 44 0.168 -19.986 -0.940 1.00 0.00 O ATOM 637 CB PRO A 44 -1.856 -20.782 1.192 1.00 0.00 C ATOM 638 CG PRO A 44 -2.733 -19.750 1.830 1.00 0.00 C ATOM 639 CD PRO A 44 -1.914 -19.037 2.879 1.00 0.00 C ATOM 0 HA PRO A 44 0.298 -21.064 1.482 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -2.101 -20.910 0.138 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.982 -21.754 1.668 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.097 -19.044 1.084 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.608 -20.218 2.281 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.072 -17.959 2.842 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.182 -19.364 3.883 1.00 0.00 H new ATOM 647 N ALA A 45 0.189 -18.162 0.291 1.00 0.00 N ATOM 648 CA ALA A 45 0.609 -17.329 -0.870 1.00 0.00 C ATOM 649 C ALA A 45 1.944 -16.642 -0.582 1.00 0.00 C ATOM 650 O ALA A 45 2.796 -16.537 -1.443 1.00 0.00 O ATOM 651 CB ALA A 45 -0.502 -16.291 -1.035 1.00 0.00 C ATOM 0 H ALA A 45 0.068 -17.656 1.168 1.00 0.00 H new ATOM 0 HA ALA A 45 0.751 -17.925 -1.771 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.266 -15.636 -1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.448 -16.798 -1.225 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.584 -15.698 -0.124 1.00 0.00 H new ATOM 657 N CYS A 46 2.138 -16.170 0.619 1.00 0.00 N ATOM 658 CA CYS A 46 3.427 -15.489 0.941 1.00 0.00 C ATOM 659 C CYS A 46 4.143 -16.194 2.118 1.00 0.00 C ATOM 660 O CYS A 46 5.124 -15.705 2.642 1.00 0.00 O ATOM 661 CB CYS A 46 3.037 -14.018 1.234 1.00 0.00 C ATOM 662 SG CYS A 46 2.707 -13.722 2.995 1.00 0.00 S ATOM 0 H CYS A 46 1.468 -16.225 1.386 1.00 0.00 H new ATOM 0 HA CYS A 46 4.151 -15.531 0.127 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.840 -13.360 0.903 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.152 -13.758 0.653 1.00 0.00 H new ATOM 0 HG CYS A 46 1.551 -14.226 3.311 1.00 0.00 H new ATOM 667 N ARG A 47 3.668 -17.351 2.509 1.00 0.00 N ATOM 668 CA ARG A 47 4.319 -18.118 3.620 1.00 0.00 C ATOM 669 C ARG A 47 4.498 -17.278 4.893 1.00 0.00 C ATOM 670 O ARG A 47 5.263 -17.634 5.768 1.00 0.00 O ATOM 671 CB ARG A 47 5.679 -18.535 3.062 1.00 0.00 C ATOM 672 CG ARG A 47 5.935 -20.005 3.399 1.00 0.00 C ATOM 673 CD ARG A 47 7.276 -20.442 2.807 1.00 0.00 C ATOM 674 NE ARG A 47 7.001 -21.760 2.170 1.00 0.00 N ATOM 675 CZ ARG A 47 7.803 -22.769 2.383 1.00 0.00 C ATOM 676 NH1 ARG A 47 9.094 -22.588 2.387 1.00 0.00 N ATOM 677 NH2 ARG A 47 7.310 -23.960 2.591 1.00 0.00 N ATOM 0 H ARG A 47 2.849 -17.802 2.102 1.00 0.00 H new ATOM 0 HA ARG A 47 3.702 -18.965 3.919 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.702 -18.388 1.982 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.466 -17.911 3.486 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.941 -20.145 4.480 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.131 -20.625 3.001 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.641 -19.719 2.078 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.040 -20.528 3.580 1.00 0.00 H new ATOM 0 HE ARG A 47 6.186 -21.875 1.567 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.479 -21.658 2.224 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.719 -23.377 2.553 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.300 -24.102 2.587 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.935 -24.749 2.757 1.00 0.00 H new ATOM 691 N SER A 48 3.798 -16.185 5.027 1.00 0.00 N ATOM 692 CA SER A 48 3.945 -15.368 6.266 1.00 0.00 C ATOM 693 C SER A 48 3.383 -16.141 7.465 1.00 0.00 C ATOM 694 O SER A 48 2.552 -17.012 7.298 1.00 0.00 O ATOM 695 CB SER A 48 3.124 -14.104 6.016 1.00 0.00 C ATOM 696 OG SER A 48 2.803 -13.492 7.255 1.00 0.00 O ATOM 0 H SER A 48 3.136 -15.824 4.340 1.00 0.00 H new ATOM 0 HA SER A 48 4.987 -15.135 6.487 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.687 -13.410 5.391 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.211 -14.352 5.474 1.00 0.00 H new ATOM 0 HG SER A 48 1.975 -13.881 7.607 1.00 0.00 H new ATOM 702 N PRO A 49 3.854 -15.802 8.639 1.00 0.00 N ATOM 703 CA PRO A 49 3.379 -16.488 9.867 1.00 0.00 C ATOM 704 C PRO A 49 1.935 -16.086 10.181 1.00 0.00 C ATOM 705 O PRO A 49 1.537 -14.956 9.978 1.00 0.00 O ATOM 706 CB PRO A 49 4.335 -15.990 10.948 1.00 0.00 C ATOM 707 CG PRO A 49 4.844 -14.678 10.440 1.00 0.00 C ATOM 708 CD PRO A 49 4.857 -14.768 8.936 1.00 0.00 C ATOM 0 HA PRO A 49 3.376 -17.574 9.778 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.824 -15.872 11.903 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.151 -16.695 11.108 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.204 -13.860 10.773 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.844 -14.477 10.824 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.597 -13.815 8.476 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.842 -15.046 8.560 1.00 0.00 H new ATOM 716 N LYS A 50 1.148 -17.005 10.673 1.00 0.00 N ATOM 717 CA LYS A 50 -0.273 -16.681 11.000 1.00 0.00 C ATOM 718 C LYS A 50 -0.351 -15.417 11.855 1.00 0.00 C ATOM 719 O LYS A 50 -1.345 -14.718 11.853 1.00 0.00 O ATOM 720 CB LYS A 50 -0.782 -17.895 11.780 1.00 0.00 C ATOM 721 CG LYS A 50 -2.289 -17.760 12.015 1.00 0.00 C ATOM 722 CD LYS A 50 -2.713 -18.694 13.151 1.00 0.00 C ATOM 723 CE LYS A 50 -3.992 -18.161 13.801 1.00 0.00 C ATOM 724 NZ LYS A 50 -3.539 -17.040 14.673 1.00 0.00 N ATOM 0 H LYS A 50 1.427 -17.967 10.863 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.869 -16.489 10.108 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.571 -18.810 11.227 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.260 -17.972 12.734 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.538 -16.729 12.265 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.834 -18.007 11.104 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.880 -19.700 12.766 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.918 -18.765 13.893 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.703 -17.815 13.050 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.493 -18.936 14.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.765 -17.258 15.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.512 -16.915 14.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.024 -16.164 14.392 1.00 0.00 H new ATOM 738 N ASN A 51 0.689 -15.109 12.576 1.00 0.00 N ATOM 739 CA ASN A 51 0.661 -13.879 13.414 1.00 0.00 C ATOM 740 C ASN A 51 0.629 -12.636 12.524 1.00 0.00 C ATOM 741 O ASN A 51 0.383 -11.539 12.984 1.00 0.00 O ATOM 742 CB ASN A 51 1.948 -13.925 14.240 1.00 0.00 C ATOM 743 CG ASN A 51 1.718 -14.775 15.491 1.00 0.00 C ATOM 744 OD1 ASN A 51 0.729 -15.474 15.590 1.00 0.00 O ATOM 745 ND2 ASN A 51 2.597 -14.747 16.455 1.00 0.00 N ATOM 0 H ASN A 51 1.552 -15.651 12.622 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.222 -13.833 14.051 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.760 -14.345 13.646 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.248 -12.916 14.522 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.454 -15.312 17.292 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.427 -14.160 16.371 1.00 0.00 H new ATOM 752 N GLN A 52 0.863 -12.795 11.248 1.00 0.00 N ATOM 753 CA GLN A 52 0.828 -11.619 10.339 1.00 0.00 C ATOM 754 C GLN A 52 -0.575 -11.459 9.737 1.00 0.00 C ATOM 755 O GLN A 52 -0.822 -10.560 8.953 1.00 0.00 O ATOM 756 CB GLN A 52 1.853 -11.930 9.249 1.00 0.00 C ATOM 757 CG GLN A 52 2.896 -10.811 9.195 1.00 0.00 C ATOM 758 CD GLN A 52 2.202 -9.481 8.894 1.00 0.00 C ATOM 759 OE1 GLN A 52 1.344 -9.414 7.913 1.00 0.00 O flip ATOM 760 NE2 GLN A 52 2.440 -8.494 9.561 1.00 0.00 N flip ATOM 0 H GLN A 52 1.076 -13.686 10.800 1.00 0.00 H new ATOM 0 HA GLN A 52 1.058 -10.687 10.856 1.00 0.00 H new ATOM 0 HB2 GLN A 52 2.338 -12.884 9.453 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.356 -12.025 8.284 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.428 -10.749 10.144 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.638 -11.028 8.427 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.111 -8.546 10.328 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.969 -7.613 9.354 1.00 0.00 H new ATOM 769 N PHE A 53 -1.501 -12.317 10.093 1.00 0.00 N ATOM 770 CA PHE A 53 -2.876 -12.190 9.530 1.00 0.00 C ATOM 771 C PHE A 53 -3.737 -11.293 10.421 1.00 0.00 C ATOM 772 O PHE A 53 -3.873 -11.523 11.606 1.00 0.00 O ATOM 773 CB PHE A 53 -3.435 -13.610 9.507 1.00 0.00 C ATOM 774 CG PHE A 53 -2.782 -14.384 8.390 1.00 0.00 C ATOM 775 CD1 PHE A 53 -1.459 -14.815 8.521 1.00 0.00 C ATOM 776 CD2 PHE A 53 -3.500 -14.668 7.222 1.00 0.00 C ATOM 777 CE1 PHE A 53 -0.852 -15.533 7.486 1.00 0.00 C ATOM 778 CE2 PHE A 53 -2.892 -15.386 6.186 1.00 0.00 C ATOM 779 CZ PHE A 53 -1.567 -15.818 6.318 1.00 0.00 C ATOM 0 H PHE A 53 -1.364 -13.091 10.743 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.869 -11.739 8.538 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.250 -14.102 10.462 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.515 -13.586 9.365 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.906 -14.594 9.422 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.522 -14.333 7.121 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.170 -15.868 7.588 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.445 -15.607 5.285 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.097 -16.371 5.518 1.00 0.00 H new ATOM 789 N LYS A 54 -4.324 -10.276 9.855 1.00 0.00 N ATOM 790 CA LYS A 54 -5.183 -9.367 10.664 1.00 0.00 C ATOM 791 C LYS A 54 -6.655 -9.716 10.437 1.00 0.00 C ATOM 792 O LYS A 54 -7.099 -9.867 9.318 1.00 0.00 O ATOM 793 CB LYS A 54 -4.873 -7.963 10.142 1.00 0.00 C ATOM 794 CG LYS A 54 -5.231 -6.926 11.207 1.00 0.00 C ATOM 795 CD LYS A 54 -5.674 -5.629 10.526 1.00 0.00 C ATOM 796 CE LYS A 54 -5.457 -4.452 11.477 1.00 0.00 C ATOM 797 NZ LYS A 54 -5.273 -3.271 10.585 1.00 0.00 N ATOM 0 H LYS A 54 -4.246 -10.035 8.867 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.993 -9.449 11.734 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.816 -7.885 9.886 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.438 -7.771 9.230 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.029 -7.305 11.846 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.371 -6.737 11.850 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.108 -5.477 9.607 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.725 -5.694 10.245 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.311 -4.317 12.141 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.583 -4.610 12.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.220 -2.406 11.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.393 -3.380 10.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.078 -3.202 9.930 1.00 0.00 H new ATOM 811 N SER A 55 -7.414 -9.854 11.487 1.00 0.00 N ATOM 812 CA SER A 55 -8.852 -10.201 11.317 1.00 0.00 C ATOM 813 C SER A 55 -9.568 -9.116 10.517 1.00 0.00 C ATOM 814 O SER A 55 -8.987 -8.123 10.128 1.00 0.00 O ATOM 815 CB SER A 55 -9.422 -10.274 12.732 1.00 0.00 C ATOM 816 OG SER A 55 -10.824 -10.051 12.694 1.00 0.00 O ATOM 0 H SER A 55 -7.103 -9.742 12.452 1.00 0.00 H new ATOM 0 HA SER A 55 -8.981 -11.139 10.776 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.211 -11.250 13.170 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.942 -9.529 13.367 1.00 0.00 H new ATOM 0 HG SER A 55 -11.188 -10.100 13.603 1.00 0.00 H new ATOM 822 N ILE A 56 -10.833 -9.304 10.285 1.00 0.00 N ATOM 823 CA ILE A 56 -11.628 -8.300 9.518 1.00 0.00 C ATOM 824 C ILE A 56 -13.116 -8.496 9.810 1.00 0.00 C ATOM 825 O ILE A 56 -13.780 -9.296 9.182 1.00 0.00 O ATOM 826 CB ILE A 56 -11.340 -8.557 8.031 1.00 0.00 C ATOM 827 CG1 ILE A 56 -11.367 -10.062 7.737 1.00 0.00 C ATOM 828 CG2 ILE A 56 -9.966 -7.988 7.666 1.00 0.00 C ATOM 829 CD1 ILE A 56 -11.194 -10.289 6.234 1.00 0.00 C ATOM 0 H ILE A 56 -11.360 -10.120 10.596 1.00 0.00 H new ATOM 0 HA ILE A 56 -11.361 -7.280 9.795 1.00 0.00 H new ATOM 0 HB ILE A 56 -12.108 -8.066 7.434 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -10.571 -10.565 8.286 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -12.309 -10.493 8.075 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -9.765 -8.172 6.611 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -9.955 -6.915 7.856 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -9.199 -8.472 8.271 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -11.213 -11.358 6.023 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -12.005 -9.799 5.696 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -10.240 -9.872 5.910 1.00 0.00 H new