USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 372 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 57 GLN : amide:sc= 0.0168 K(o=0.79,f=0.24) USER MOD Set 1.2: A 58 ASN : amide:sc= 0.774 K(o=0.79,f=0.24) USER MOD Single : A 44 THR OG1 : rot -75:sc= 0.293 USER MOD Single : A 50 LYS NZ :NH3+ -169:sc= 1.25 (180deg=1.06) USER MOD Single : A 52 LYS NZ :NH3+ 175:sc= 1.23 (180deg=1.09) USER MOD Single : A 53 LYS NZ :NH3+ -175:sc= 0.472 (180deg=0.015) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0334 USER MOD Single : A 64 LYS NZ :NH3+ 156:sc= 1.21 (180deg=0.0173) USER MOD Single : A 68 ASN : amide:sc= -0.0721 K(o=-0.072,f=-0.89) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.0202 K(o=-0.02,f=-0.62) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 77 GLN : amide:sc= 0.669 K(o=0.67,f=-4.1!) USER MOD Single : A 78 CYS SG : rot 87:sc= 0.315 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 80 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.013) USER MOD Single : A 83 GLN : amide:sc= -0.34 X(o=-0.34,f=-0.19) USER MOD Single : A 84 LYS NZ :NH3+ 161:sc= 1.1 (180deg=0.473) USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 13.061 -9.009 -13.470 1.00 0.00 N ATOM 90 CA TRP A 43 14.308 -8.857 -14.203 1.00 0.00 C ATOM 91 C TRP A 43 14.042 -8.955 -15.702 1.00 0.00 C ATOM 92 O TRP A 43 13.369 -9.882 -16.151 1.00 0.00 O ATOM 93 CB TRP A 43 15.287 -9.943 -13.753 1.00 0.00 C ATOM 94 CG TRP A 43 16.189 -9.540 -12.629 1.00 0.00 C ATOM 95 CD1 TRP A 43 15.853 -9.471 -11.328 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.589 -9.139 -12.688 1.00 0.00 C ATOM 97 NE1 TRP A 43 16.924 -9.066 -10.565 1.00 0.00 N ATOM 98 CE2 TRP A 43 18.035 -8.844 -11.360 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.532 -8.993 -13.728 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.343 -8.429 -11.085 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.848 -8.565 -13.459 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.254 -8.285 -12.140 1.00 0.00 C ATOM 0 HA TRP A 43 14.744 -7.879 -13.998 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.719 -10.822 -13.449 1.00 0.00 H new ATOM 0 HB3 TRP A 43 15.899 -10.238 -14.605 1.00 0.00 H new ATOM 0 HD1 TRP A 43 14.874 -9.702 -10.935 1.00 0.00 H new ATOM 0 HE1 TRP A 43 16.902 -8.946 -9.552 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.241 -9.212 -14.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.647 -8.222 -10.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.551 -8.451 -14.271 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.265 -7.960 -11.942 1.00 0.00 H new ATOM 113 N THR A 44 14.573 -7.996 -16.475 1.00 0.00 N ATOM 114 CA THR A 44 14.397 -7.988 -17.921 1.00 0.00 C ATOM 115 C THR A 44 15.544 -8.759 -18.580 1.00 0.00 C ATOM 116 O THR A 44 16.632 -8.870 -18.012 1.00 0.00 O ATOM 117 CB THR A 44 14.327 -6.540 -18.434 1.00 0.00 C ATOM 118 OG1 THR A 44 15.518 -5.854 -18.121 1.00 0.00 O ATOM 119 CG2 THR A 44 13.141 -5.818 -17.789 1.00 0.00 C ATOM 0 H THR A 44 15.127 -7.219 -16.115 1.00 0.00 H new ATOM 0 HA THR A 44 13.460 -8.480 -18.181 1.00 0.00 H new ATOM 0 HB THR A 44 14.199 -6.558 -19.516 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.525 -5.630 -17.167 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.096 -4.793 -18.156 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.217 -6.336 -18.045 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.265 -5.811 -16.706 1.00 0.00 H new ATOM 127 N ARG A 45 15.291 -9.298 -19.780 1.00 0.00 N ATOM 128 CA ARG A 45 16.281 -10.083 -20.509 1.00 0.00 C ATOM 129 C ARG A 45 17.571 -9.283 -20.697 1.00 0.00 C ATOM 130 O ARG A 45 18.660 -9.808 -20.476 1.00 0.00 O ATOM 131 CB ARG A 45 15.696 -10.496 -21.866 1.00 0.00 C ATOM 132 CG ARG A 45 16.650 -11.472 -22.566 1.00 0.00 C ATOM 133 CD ARG A 45 16.027 -11.959 -23.877 1.00 0.00 C ATOM 134 NE ARG A 45 15.924 -10.864 -24.852 1.00 0.00 N ATOM 135 CZ ARG A 45 15.400 -11.023 -26.081 1.00 0.00 C ATOM 136 NH1 ARG A 45 14.937 -12.220 -26.468 1.00 0.00 N ATOM 137 NH2 ARG A 45 15.342 -9.981 -26.921 1.00 0.00 N ATOM 0 H ARG A 45 14.399 -9.200 -20.265 1.00 0.00 H new ATOM 0 HA ARG A 45 16.526 -10.977 -19.936 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.721 -10.963 -21.725 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.540 -9.615 -22.489 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.603 -10.982 -22.766 1.00 0.00 H new ATOM 0 HG3 ARG A 45 16.858 -12.321 -21.915 1.00 0.00 H new ATOM 0 HD2 ARG A 45 16.631 -12.765 -24.293 1.00 0.00 H new ATOM 0 HD3 ARG A 45 15.037 -12.371 -23.682 1.00 0.00 H new ATOM 0 HE ARG A 45 16.266 -9.941 -24.585 1.00 0.00 H new ATOM 0 HH11 ARG A 45 14.981 -13.015 -25.830 1.00 0.00 H new ATOM 0 HH12 ARG A 45 14.541 -12.336 -27.401 1.00 0.00 H new ATOM 0 HH21 ARG A 45 15.695 -9.070 -26.628 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.945 -10.099 -27.853 1.00 0.00 H new ATOM 151 N GLU A 46 17.446 -8.015 -21.107 1.00 0.00 N ATOM 152 CA GLU A 46 18.602 -7.160 -21.331 1.00 0.00 C ATOM 153 C GLU A 46 19.430 -7.050 -20.050 1.00 0.00 C ATOM 154 O GLU A 46 20.655 -7.098 -20.100 1.00 0.00 O ATOM 155 CB GLU A 46 18.133 -5.772 -21.782 1.00 0.00 C ATOM 156 CG GLU A 46 19.322 -4.978 -22.339 1.00 0.00 C ATOM 157 CD GLU A 46 19.123 -3.482 -22.136 1.00 0.00 C ATOM 158 OE1 GLU A 46 18.087 -2.976 -22.614 1.00 0.00 O ATOM 159 OE2 GLU A 46 20.016 -2.873 -21.502 1.00 0.00 O ATOM 0 H GLU A 46 16.550 -7.564 -21.289 1.00 0.00 H new ATOM 0 HA GLU A 46 19.227 -7.596 -22.111 1.00 0.00 H new ATOM 0 HB2 GLU A 46 17.360 -5.869 -22.544 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.688 -5.238 -20.943 1.00 0.00 H new ATOM 0 HG2 GLU A 46 20.240 -5.297 -21.845 1.00 0.00 H new ATOM 0 HG3 GLU A 46 19.441 -5.192 -23.401 1.00 0.00 H new ATOM 166 N GLU A 47 18.754 -6.897 -18.907 1.00 0.00 N ATOM 167 CA GLU A 47 19.420 -6.749 -17.622 1.00 0.00 C ATOM 168 C GLU A 47 20.246 -8.001 -17.333 1.00 0.00 C ATOM 169 O GLU A 47 21.425 -7.903 -16.993 1.00 0.00 O ATOM 170 CB GLU A 47 18.361 -6.544 -16.535 1.00 0.00 C ATOM 171 CG GLU A 47 18.526 -5.164 -15.889 1.00 0.00 C ATOM 172 CD GLU A 47 17.257 -4.744 -15.148 1.00 0.00 C ATOM 173 OE1 GLU A 47 16.187 -5.331 -15.445 1.00 0.00 O ATOM 174 OE2 GLU A 47 17.375 -3.843 -14.292 1.00 0.00 O ATOM 0 H GLU A 47 17.736 -6.873 -18.853 1.00 0.00 H new ATOM 0 HA GLU A 47 20.086 -5.887 -17.639 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.364 -6.635 -16.966 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.452 -7.322 -15.777 1.00 0.00 H new ATOM 0 HG2 GLU A 47 19.366 -5.183 -15.195 1.00 0.00 H new ATOM 0 HG3 GLU A 47 18.763 -4.427 -16.656 1.00 0.00 H new ATOM 181 N ASP A 48 19.620 -9.179 -17.473 1.00 0.00 N ATOM 182 CA ASP A 48 20.294 -10.448 -17.239 1.00 0.00 C ATOM 183 C ASP A 48 21.515 -10.560 -18.147 1.00 0.00 C ATOM 184 O ASP A 48 22.599 -10.904 -17.685 1.00 0.00 O ATOM 185 CB ASP A 48 19.322 -11.606 -17.497 1.00 0.00 C ATOM 186 CG ASP A 48 18.419 -11.844 -16.294 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.976 -12.125 -15.211 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.186 -11.745 -16.473 1.00 0.00 O ATOM 0 H ASP A 48 18.642 -9.270 -17.749 1.00 0.00 H new ATOM 0 HA ASP A 48 20.627 -10.497 -16.202 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.714 -11.385 -18.374 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.884 -12.513 -17.719 1.00 0.00 H new ATOM 193 N GLU A 49 21.338 -10.264 -19.440 1.00 0.00 N ATOM 194 CA GLU A 49 22.431 -10.317 -20.402 1.00 0.00 C ATOM 195 C GLU A 49 23.561 -9.391 -19.951 1.00 0.00 C ATOM 196 O GLU A 49 24.722 -9.788 -19.939 1.00 0.00 O ATOM 197 CB GLU A 49 21.912 -9.907 -21.792 1.00 0.00 C ATOM 198 CG GLU A 49 21.898 -11.119 -22.731 1.00 0.00 C ATOM 199 CD GLU A 49 23.281 -11.366 -23.325 1.00 0.00 C ATOM 200 OE1 GLU A 49 24.189 -11.722 -22.542 1.00 0.00 O ATOM 201 OE2 GLU A 49 23.413 -11.188 -24.557 1.00 0.00 O ATOM 0 H GLU A 49 20.442 -9.985 -19.840 1.00 0.00 H new ATOM 0 HA GLU A 49 22.821 -11.333 -20.460 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.907 -9.493 -21.706 1.00 0.00 H new ATOM 0 HB3 GLU A 49 22.545 -9.123 -22.208 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.570 -12.003 -22.185 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.178 -10.954 -23.533 1.00 0.00 H new ATOM 208 N LYS A 50 23.213 -8.154 -19.578 1.00 0.00 N ATOM 209 CA LYS A 50 24.190 -7.173 -19.130 1.00 0.00 C ATOM 210 C LYS A 50 24.986 -7.737 -17.952 1.00 0.00 C ATOM 211 O LYS A 50 26.213 -7.666 -17.943 1.00 0.00 O ATOM 212 CB LYS A 50 23.463 -5.881 -18.737 1.00 0.00 C ATOM 213 CG LYS A 50 24.423 -4.690 -18.841 1.00 0.00 C ATOM 214 CD LYS A 50 23.796 -3.440 -18.199 1.00 0.00 C ATOM 215 CE LYS A 50 22.389 -3.174 -18.762 1.00 0.00 C ATOM 216 NZ LYS A 50 22.397 -3.093 -20.235 1.00 0.00 N ATOM 0 H LYS A 50 22.252 -7.813 -19.580 1.00 0.00 H new ATOM 0 HA LYS A 50 24.890 -6.948 -19.935 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.603 -5.724 -19.389 1.00 0.00 H new ATOM 0 HB3 LYS A 50 23.081 -5.963 -17.720 1.00 0.00 H new ATOM 0 HG2 LYS A 50 25.364 -4.928 -18.345 1.00 0.00 H new ATOM 0 HG3 LYS A 50 24.655 -4.492 -19.887 1.00 0.00 H new ATOM 0 HD2 LYS A 50 23.740 -3.572 -17.118 1.00 0.00 H new ATOM 0 HD3 LYS A 50 24.434 -2.575 -18.382 1.00 0.00 H new ATOM 0 HE2 LYS A 50 21.714 -3.969 -18.445 1.00 0.00 H new ATOM 0 HE3 LYS A 50 22.002 -2.243 -18.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.480 -2.732 -20.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 23.155 -2.451 -20.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 22.561 -4.039 -20.634 1.00 0.00 H new ATOM 230 N LEU A 51 24.282 -8.303 -16.962 1.00 0.00 N ATOM 231 CA LEU A 51 24.922 -8.889 -15.794 1.00 0.00 C ATOM 232 C LEU A 51 25.857 -10.017 -16.234 1.00 0.00 C ATOM 233 O LEU A 51 26.982 -10.115 -15.748 1.00 0.00 O ATOM 234 CB LEU A 51 23.841 -9.406 -14.831 1.00 0.00 C ATOM 235 CG LEU A 51 24.482 -10.042 -13.584 1.00 0.00 C ATOM 236 CD1 LEU A 51 25.243 -8.981 -12.781 1.00 0.00 C ATOM 237 CD2 LEU A 51 23.384 -10.647 -12.706 1.00 0.00 C ATOM 0 H LEU A 51 23.264 -8.363 -16.955 1.00 0.00 H new ATOM 0 HA LEU A 51 25.517 -8.138 -15.275 1.00 0.00 H new ATOM 0 HB2 LEU A 51 23.190 -8.584 -14.532 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.215 -10.140 -15.339 1.00 0.00 H new ATOM 0 HG LEU A 51 25.179 -10.819 -13.899 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.692 -9.443 -11.902 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.026 -8.547 -13.402 1.00 0.00 H new ATOM 0 HD13 LEU A 51 24.553 -8.198 -12.467 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.833 -11.099 -11.821 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.690 -9.864 -12.401 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.846 -11.410 -13.270 1.00 0.00 H new ATOM 249 N LYS A 52 25.388 -10.865 -17.158 1.00 0.00 N ATOM 250 CA LYS A 52 26.178 -11.978 -17.664 1.00 0.00 C ATOM 251 C LYS A 52 27.493 -11.459 -18.241 1.00 0.00 C ATOM 252 O LYS A 52 28.557 -11.950 -17.887 1.00 0.00 O ATOM 253 CB LYS A 52 25.369 -12.735 -18.733 1.00 0.00 C ATOM 254 CG LYS A 52 25.671 -14.241 -18.677 1.00 0.00 C ATOM 255 CD LYS A 52 27.156 -14.503 -18.956 1.00 0.00 C ATOM 256 CE LYS A 52 27.366 -15.988 -19.263 1.00 0.00 C ATOM 257 NZ LYS A 52 28.799 -16.303 -19.406 1.00 0.00 N ATOM 0 H LYS A 52 24.457 -10.794 -17.569 1.00 0.00 H new ATOM 0 HA LYS A 52 26.410 -12.666 -16.851 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.303 -12.567 -18.577 1.00 0.00 H new ATOM 0 HB3 LYS A 52 25.611 -12.347 -19.722 1.00 0.00 H new ATOM 0 HG2 LYS A 52 25.404 -14.635 -17.696 1.00 0.00 H new ATOM 0 HG3 LYS A 52 25.059 -14.768 -19.409 1.00 0.00 H new ATOM 0 HD2 LYS A 52 27.491 -13.896 -19.797 1.00 0.00 H new ATOM 0 HD3 LYS A 52 27.756 -14.211 -18.094 1.00 0.00 H new ATOM 0 HE2 LYS A 52 26.936 -16.592 -18.464 1.00 0.00 H new ATOM 0 HE3 LYS A 52 26.839 -16.251 -20.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 28.918 -17.329 -19.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 29.182 -15.808 -20.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 29.309 -15.995 -18.553 1.00 0.00 H new ATOM 271 N LYS A 53 27.417 -10.466 -19.132 1.00 0.00 N ATOM 272 CA LYS A 53 28.601 -9.906 -19.768 1.00 0.00 C ATOM 273 C LYS A 53 29.529 -9.280 -18.724 1.00 0.00 C ATOM 274 O LYS A 53 30.742 -9.445 -18.806 1.00 0.00 O ATOM 275 CB LYS A 53 28.180 -8.870 -20.814 1.00 0.00 C ATOM 276 CG LYS A 53 27.413 -9.564 -21.945 1.00 0.00 C ATOM 277 CD LYS A 53 27.123 -8.560 -23.065 1.00 0.00 C ATOM 278 CE LYS A 53 25.878 -8.994 -23.847 1.00 0.00 C ATOM 279 NZ LYS A 53 25.959 -10.410 -24.251 1.00 0.00 N ATOM 0 H LYS A 53 26.541 -10.035 -19.427 1.00 0.00 H new ATOM 0 HA LYS A 53 29.151 -10.705 -20.265 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.555 -8.106 -20.352 1.00 0.00 H new ATOM 0 HB3 LYS A 53 29.059 -8.364 -21.214 1.00 0.00 H new ATOM 0 HG2 LYS A 53 27.996 -10.399 -22.334 1.00 0.00 H new ATOM 0 HG3 LYS A 53 26.479 -9.978 -21.564 1.00 0.00 H new ATOM 0 HD2 LYS A 53 26.970 -7.566 -22.644 1.00 0.00 H new ATOM 0 HD3 LYS A 53 27.979 -8.493 -23.736 1.00 0.00 H new ATOM 0 HE2 LYS A 53 24.990 -8.840 -23.234 1.00 0.00 H new ATOM 0 HE3 LYS A 53 25.767 -8.368 -24.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 25.142 -10.648 -24.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 26.837 -10.569 -24.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 25.955 -11.013 -23.404 1.00 0.00 H new ATOM 293 N LEU A 54 28.964 -8.561 -17.746 1.00 0.00 N ATOM 294 CA LEU A 54 29.760 -7.913 -16.708 1.00 0.00 C ATOM 295 C LEU A 54 30.539 -8.957 -15.903 1.00 0.00 C ATOM 296 O LEU A 54 31.742 -8.805 -15.698 1.00 0.00 O ATOM 297 CB LEU A 54 28.842 -7.098 -15.787 1.00 0.00 C ATOM 298 CG LEU A 54 28.422 -5.789 -16.473 1.00 0.00 C ATOM 299 CD1 LEU A 54 27.205 -5.204 -15.750 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.573 -4.777 -16.424 1.00 0.00 C ATOM 0 H LEU A 54 27.958 -8.416 -17.656 1.00 0.00 H new ATOM 0 HA LEU A 54 30.478 -7.240 -17.177 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.958 -7.683 -15.533 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.357 -6.877 -14.852 1.00 0.00 H new ATOM 0 HG LEU A 54 28.171 -5.997 -17.513 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.905 -4.275 -16.235 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.381 -5.916 -15.790 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.461 -5.004 -14.710 1.00 0.00 H new ATOM 0 HD21 LEU A 54 29.266 -3.852 -16.913 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.831 -4.570 -15.386 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.441 -5.188 -16.939 1.00 0.00 H new ATOM 312 N VAL A 55 29.854 -10.012 -15.446 1.00 0.00 N ATOM 313 CA VAL A 55 30.487 -11.065 -14.658 1.00 0.00 C ATOM 314 C VAL A 55 31.492 -11.833 -15.523 1.00 0.00 C ATOM 315 O VAL A 55 32.591 -12.134 -15.073 1.00 0.00 O ATOM 316 CB VAL A 55 29.406 -12.003 -14.096 1.00 0.00 C ATOM 317 CG1 VAL A 55 30.062 -13.220 -13.435 1.00 0.00 C ATOM 318 CG2 VAL A 55 28.569 -11.257 -13.051 1.00 0.00 C ATOM 0 H VAL A 55 28.858 -10.155 -15.612 1.00 0.00 H new ATOM 0 HA VAL A 55 31.031 -10.624 -13.822 1.00 0.00 H new ATOM 0 HB VAL A 55 28.766 -12.334 -14.914 1.00 0.00 H new ATOM 0 HG11 VAL A 55 29.290 -13.880 -13.039 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.656 -13.759 -14.173 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.707 -12.888 -12.622 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.804 -11.924 -12.654 1.00 0.00 H new ATOM 0 HG22 VAL A 55 29.215 -10.922 -12.239 1.00 0.00 H new ATOM 0 HG23 VAL A 55 28.093 -10.394 -13.515 1.00 0.00 H new ATOM 328 N GLU A 56 31.111 -12.148 -16.762 1.00 0.00 N ATOM 329 CA GLU A 56 31.975 -12.876 -17.682 1.00 0.00 C ATOM 330 C GLU A 56 33.265 -12.086 -17.921 1.00 0.00 C ATOM 331 O GLU A 56 34.353 -12.659 -17.939 1.00 0.00 O ATOM 332 CB GLU A 56 31.215 -13.100 -18.995 1.00 0.00 C ATOM 333 CG GLU A 56 32.025 -13.995 -19.934 1.00 0.00 C ATOM 334 CD GLU A 56 31.235 -14.289 -21.202 1.00 0.00 C ATOM 335 OE1 GLU A 56 31.370 -13.491 -22.153 1.00 0.00 O ATOM 336 OE2 GLU A 56 30.504 -15.305 -21.193 1.00 0.00 O ATOM 0 H GLU A 56 30.200 -11.906 -17.151 1.00 0.00 H new ATOM 0 HA GLU A 56 32.249 -13.842 -17.259 1.00 0.00 H new ATOM 0 HB2 GLU A 56 30.248 -13.559 -18.789 1.00 0.00 H new ATOM 0 HB3 GLU A 56 31.017 -12.142 -19.476 1.00 0.00 H new ATOM 0 HG2 GLU A 56 32.966 -13.507 -20.189 1.00 0.00 H new ATOM 0 HG3 GLU A 56 32.276 -14.928 -19.430 1.00 0.00 H new ATOM 343 N GLN A 57 33.131 -10.769 -18.104 1.00 0.00 N ATOM 344 CA GLN A 57 34.264 -9.894 -18.350 1.00 0.00 C ATOM 345 C GLN A 57 35.145 -9.799 -17.105 1.00 0.00 C ATOM 346 O GLN A 57 36.344 -10.061 -17.172 1.00 0.00 O ATOM 347 CB GLN A 57 33.733 -8.507 -18.744 1.00 0.00 C ATOM 348 CG GLN A 57 34.894 -7.528 -18.953 1.00 0.00 C ATOM 349 CD GLN A 57 34.367 -6.133 -19.267 1.00 0.00 C ATOM 350 OE1 GLN A 57 34.185 -5.319 -18.364 1.00 0.00 O ATOM 351 NE2 GLN A 57 34.119 -5.858 -20.548 1.00 0.00 N ATOM 0 H GLN A 57 32.232 -10.287 -18.084 1.00 0.00 H new ATOM 0 HA GLN A 57 34.874 -10.297 -19.159 1.00 0.00 H new ATOM 0 HB2 GLN A 57 33.144 -8.583 -19.658 1.00 0.00 H new ATOM 0 HB3 GLN A 57 33.068 -8.131 -17.966 1.00 0.00 H new ATOM 0 HG2 GLN A 57 35.515 -7.495 -18.058 1.00 0.00 H new ATOM 0 HG3 GLN A 57 35.528 -7.876 -19.769 1.00 0.00 H new ATOM 0 HE21 GLN A 57 34.286 -6.566 -21.263 1.00 0.00 H new ATOM 0 HE22 GLN A 57 33.763 -4.940 -20.813 1.00 0.00 H new ATOM 360 N ASN A 58 34.547 -9.405 -15.976 1.00 0.00 N ATOM 361 CA ASN A 58 35.281 -9.206 -14.735 1.00 0.00 C ATOM 362 C ASN A 58 35.318 -10.501 -13.922 1.00 0.00 C ATOM 363 O ASN A 58 36.320 -11.214 -13.942 1.00 0.00 O ATOM 364 CB ASN A 58 34.624 -8.066 -13.942 1.00 0.00 C ATOM 365 CG ASN A 58 34.637 -6.768 -14.748 1.00 0.00 C ATOM 366 OD1 ASN A 58 35.553 -5.962 -14.616 1.00 0.00 O ATOM 367 ND2 ASN A 58 33.617 -6.573 -15.587 1.00 0.00 N ATOM 0 H ASN A 58 33.547 -9.218 -15.903 1.00 0.00 H new ATOM 0 HA ASN A 58 36.312 -8.932 -14.957 1.00 0.00 H new ATOM 0 HB2 ASN A 58 33.597 -8.335 -13.693 1.00 0.00 H new ATOM 0 HB3 ASN A 58 35.153 -7.920 -13.000 1.00 0.00 H new ATOM 0 HD21 ASN A 58 33.577 -5.725 -16.152 1.00 0.00 H new ATOM 0 HD22 ASN A 58 32.878 -7.272 -15.663 1.00 0.00 H new ATOM 374 N GLY A 59 34.230 -10.798 -13.202 1.00 0.00 N ATOM 375 CA GLY A 59 34.145 -11.988 -12.370 1.00 0.00 C ATOM 376 C GLY A 59 33.278 -11.694 -11.153 1.00 0.00 C ATOM 377 O GLY A 59 32.450 -10.784 -11.186 1.00 0.00 O ATOM 0 H GLY A 59 33.391 -10.218 -13.184 1.00 0.00 H new ATOM 0 HA2 GLY A 59 33.722 -12.815 -12.941 1.00 0.00 H new ATOM 0 HA3 GLY A 59 35.142 -12.296 -12.054 1.00 0.00 H new ATOM 381 N THR A 60 33.475 -12.460 -10.074 1.00 0.00 N ATOM 382 CA THR A 60 32.729 -12.266 -8.836 1.00 0.00 C ATOM 383 C THR A 60 33.480 -11.278 -7.934 1.00 0.00 C ATOM 384 O THR A 60 33.482 -11.424 -6.711 1.00 0.00 O ATOM 385 CB THR A 60 32.540 -13.622 -8.141 1.00 0.00 C ATOM 386 OG1 THR A 60 33.774 -14.309 -8.088 1.00 0.00 O ATOM 387 CG2 THR A 60 31.523 -14.463 -8.918 1.00 0.00 C ATOM 0 H THR A 60 34.150 -13.224 -10.039 1.00 0.00 H new ATOM 0 HA THR A 60 31.745 -11.849 -9.051 1.00 0.00 H new ATOM 0 HB THR A 60 32.175 -13.455 -7.128 1.00 0.00 H new ATOM 0 HG1 THR A 60 33.649 -15.173 -7.642 1.00 0.00 H new ATOM 0 HG21 THR A 60 31.391 -15.425 -8.422 1.00 0.00 H new ATOM 0 HG22 THR A 60 30.568 -13.939 -8.953 1.00 0.00 H new ATOM 0 HG23 THR A 60 31.885 -14.625 -9.933 1.00 0.00 H new ATOM 395 N ASP A 61 34.115 -10.267 -8.546 1.00 0.00 N ATOM 396 CA ASP A 61 34.853 -9.255 -7.815 1.00 0.00 C ATOM 397 C ASP A 61 33.863 -8.270 -7.218 1.00 0.00 C ATOM 398 O ASP A 61 33.526 -7.259 -7.839 1.00 0.00 O ATOM 399 CB ASP A 61 35.834 -8.557 -8.757 1.00 0.00 C ATOM 400 CG ASP A 61 36.590 -7.442 -8.040 1.00 0.00 C ATOM 401 OD1 ASP A 61 36.942 -7.661 -6.861 1.00 0.00 O ATOM 402 OD2 ASP A 61 36.803 -6.394 -8.687 1.00 0.00 O ATOM 0 H ASP A 61 34.125 -10.138 -9.558 1.00 0.00 H new ATOM 0 HA ASP A 61 35.429 -9.707 -7.008 1.00 0.00 H new ATOM 0 HB2 ASP A 61 36.543 -9.285 -9.152 1.00 0.00 H new ATOM 0 HB3 ASP A 61 35.293 -8.144 -9.608 1.00 0.00 H new ATOM 407 N ASP A 62 33.390 -8.587 -6.014 1.00 0.00 N ATOM 408 CA ASP A 62 32.403 -7.777 -5.315 1.00 0.00 C ATOM 409 C ASP A 62 31.063 -7.815 -6.035 1.00 0.00 C ATOM 410 O ASP A 62 30.931 -8.398 -7.112 1.00 0.00 O ATOM 411 CB ASP A 62 32.892 -6.324 -5.173 1.00 0.00 C ATOM 412 CG ASP A 62 32.906 -5.888 -3.717 1.00 0.00 C ATOM 413 OD1 ASP A 62 31.846 -5.382 -3.275 1.00 0.00 O ATOM 414 OD2 ASP A 62 33.960 -6.057 -3.073 1.00 0.00 O ATOM 0 H ASP A 62 33.684 -9.416 -5.497 1.00 0.00 H new ATOM 0 HA ASP A 62 32.270 -8.197 -4.318 1.00 0.00 H new ATOM 0 HB2 ASP A 62 33.894 -6.232 -5.592 1.00 0.00 H new ATOM 0 HB3 ASP A 62 32.244 -5.662 -5.747 1.00 0.00 H new ATOM 419 N TRP A 63 30.071 -7.177 -5.420 1.00 0.00 N ATOM 420 CA TRP A 63 28.734 -7.075 -5.973 1.00 0.00 C ATOM 421 C TRP A 63 28.336 -5.604 -6.042 1.00 0.00 C ATOM 422 O TRP A 63 27.604 -5.204 -6.941 1.00 0.00 O ATOM 423 CB TRP A 63 27.774 -7.897 -5.117 1.00 0.00 C ATOM 424 CG TRP A 63 27.920 -9.370 -5.320 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.348 -10.258 -4.407 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.670 -10.146 -6.526 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.393 -11.526 -4.939 1.00 0.00 N ATOM 428 CE2 TRP A 63 27.983 -11.515 -6.261 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.216 -9.832 -7.826 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.855 -12.513 -7.233 1.00 0.00 C ATOM 431 CZ3 TRP A 63 27.082 -10.832 -8.808 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.403 -12.170 -8.513 1.00 0.00 C ATOM 0 H TRP A 63 30.179 -6.715 -4.517 1.00 0.00 H new ATOM 0 HA TRP A 63 28.698 -7.476 -6.986 1.00 0.00 H new ATOM 0 HB2 TRP A 63 27.943 -7.663 -4.066 1.00 0.00 H new ATOM 0 HB3 TRP A 63 26.750 -7.604 -5.348 1.00 0.00 H new ATOM 0 HD1 TRP A 63 28.620 -10.010 -3.392 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.688 -12.359 -4.430 1.00 0.00 H new ATOM 0 HE3 TRP A 63 26.968 -8.810 -8.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 28.102 -13.538 -6.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.730 -10.570 -9.795 1.00 0.00 H new ATOM 0 HH2 TRP A 63 27.301 -12.931 -9.273 1.00 0.00 H new ATOM 443 N LYS A 64 28.843 -4.795 -5.101 1.00 0.00 N ATOM 444 CA LYS A 64 28.607 -3.360 -5.104 1.00 0.00 C ATOM 445 C LYS A 64 29.268 -2.754 -6.350 1.00 0.00 C ATOM 446 O LYS A 64 28.744 -1.813 -6.939 1.00 0.00 O ATOM 447 CB LYS A 64 29.149 -2.760 -3.784 1.00 0.00 C ATOM 448 CG LYS A 64 30.252 -1.721 -4.045 1.00 0.00 C ATOM 449 CD LYS A 64 30.677 -1.052 -2.727 1.00 0.00 C ATOM 450 CE LYS A 64 31.194 -2.088 -1.713 1.00 0.00 C ATOM 451 NZ LYS A 64 32.246 -2.947 -2.293 1.00 0.00 N ATOM 0 H LYS A 64 29.422 -5.121 -4.327 1.00 0.00 H new ATOM 0 HA LYS A 64 27.543 -3.129 -5.153 1.00 0.00 H new ATOM 0 HB2 LYS A 64 28.332 -2.294 -3.233 1.00 0.00 H new ATOM 0 HB3 LYS A 64 29.542 -3.559 -3.155 1.00 0.00 H new ATOM 0 HG2 LYS A 64 31.112 -2.203 -4.510 1.00 0.00 H new ATOM 0 HG3 LYS A 64 29.892 -0.966 -4.744 1.00 0.00 H new ATOM 0 HD2 LYS A 64 31.455 -0.315 -2.926 1.00 0.00 H new ATOM 0 HD3 LYS A 64 29.830 -0.514 -2.301 1.00 0.00 H new ATOM 0 HE2 LYS A 64 31.588 -1.573 -0.836 1.00 0.00 H new ATOM 0 HE3 LYS A 64 30.365 -2.708 -1.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 32.840 -3.331 -1.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 31.805 -3.730 -2.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 32.835 -2.385 -2.941 1.00 0.00 H new ATOM 465 N VAL A 65 30.420 -3.315 -6.748 1.00 0.00 N ATOM 466 CA VAL A 65 31.147 -2.862 -7.926 1.00 0.00 C ATOM 467 C VAL A 65 30.268 -3.021 -9.163 1.00 0.00 C ATOM 468 O VAL A 65 30.200 -2.127 -10.002 1.00 0.00 O ATOM 469 CB VAL A 65 32.431 -3.696 -8.075 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.122 -3.367 -9.403 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.386 -3.385 -6.923 1.00 0.00 C ATOM 0 H VAL A 65 30.866 -4.092 -6.259 1.00 0.00 H new ATOM 0 HA VAL A 65 31.411 -1.810 -7.817 1.00 0.00 H new ATOM 0 HB VAL A 65 32.166 -4.753 -8.058 1.00 0.00 H new ATOM 0 HG11 VAL A 65 34.030 -3.963 -9.498 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.449 -3.596 -10.230 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.379 -2.308 -9.427 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.294 -3.978 -7.033 1.00 0.00 H new ATOM 0 HG22 VAL A 65 33.641 -2.325 -6.938 1.00 0.00 H new ATOM 0 HG23 VAL A 65 32.905 -3.630 -5.976 1.00 0.00 H new ATOM 481 N ILE A 66 29.607 -4.173 -9.268 1.00 0.00 N ATOM 482 CA ILE A 66 28.768 -4.491 -10.408 1.00 0.00 C ATOM 483 C ILE A 66 27.451 -3.710 -10.326 1.00 0.00 C ATOM 484 O ILE A 66 26.930 -3.262 -11.348 1.00 0.00 O ATOM 485 CB ILE A 66 28.529 -6.012 -10.440 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.887 -6.741 -10.342 1.00 0.00 C ATOM 487 CG2 ILE A 66 27.829 -6.395 -11.750 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.686 -8.254 -10.337 1.00 0.00 C ATOM 0 H ILE A 66 29.642 -4.908 -8.562 1.00 0.00 H new ATOM 0 HA ILE A 66 29.261 -4.198 -11.335 1.00 0.00 H new ATOM 0 HB ILE A 66 27.898 -6.302 -9.600 1.00 0.00 H new ATOM 0 HG12 ILE A 66 30.520 -6.456 -11.182 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.405 -6.435 -9.433 1.00 0.00 H new ATOM 0 HG21 ILE A 66 27.661 -7.472 -11.771 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.872 -5.877 -11.816 1.00 0.00 H new ATOM 0 HG23 ILE A 66 28.456 -6.109 -12.595 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.654 -8.749 -10.267 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.072 -8.537 -9.482 1.00 0.00 H new ATOM 0 HD13 ILE A 66 29.188 -8.558 -11.258 1.00 0.00 H new ATOM 500 N ALA A 67 26.919 -3.543 -9.108 1.00 0.00 N ATOM 501 CA ALA A 67 25.671 -2.820 -8.893 1.00 0.00 C ATOM 502 C ALA A 67 25.771 -1.387 -9.428 1.00 0.00 C ATOM 503 O ALA A 67 24.760 -0.794 -9.784 1.00 0.00 O ATOM 504 CB ALA A 67 25.342 -2.811 -7.400 1.00 0.00 C ATOM 0 H ALA A 67 27.342 -3.905 -8.253 1.00 0.00 H new ATOM 0 HA ALA A 67 24.872 -3.324 -9.437 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.409 -2.271 -7.236 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.235 -3.836 -7.045 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.147 -2.320 -6.853 1.00 0.00 H new ATOM 510 N ASN A 68 26.989 -0.831 -9.487 1.00 0.00 N ATOM 511 CA ASN A 68 27.193 0.524 -9.991 1.00 0.00 C ATOM 512 C ASN A 68 26.652 0.648 -11.419 1.00 0.00 C ATOM 513 O ASN A 68 26.152 1.705 -11.800 1.00 0.00 O ATOM 514 CB ASN A 68 28.686 0.869 -9.961 1.00 0.00 C ATOM 515 CG ASN A 68 29.225 0.903 -8.533 1.00 0.00 C ATOM 516 OD1 ASN A 68 28.492 1.197 -7.592 1.00 0.00 O ATOM 517 ND2 ASN A 68 30.514 0.604 -8.373 1.00 0.00 N ATOM 0 H ASN A 68 27.844 -1.302 -9.191 1.00 0.00 H new ATOM 0 HA ASN A 68 26.652 1.223 -9.353 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.242 0.134 -10.543 1.00 0.00 H new ATOM 0 HB3 ASN A 68 28.846 1.838 -10.434 1.00 0.00 H new ATOM 0 HD21 ASN A 68 30.928 0.614 -7.441 1.00 0.00 H new ATOM 0 HD22 ASN A 68 31.087 0.365 -9.183 1.00 0.00 H new ATOM 524 N TYR A 69 26.755 -0.431 -12.208 1.00 0.00 N ATOM 525 CA TYR A 69 26.289 -0.430 -13.590 1.00 0.00 C ATOM 526 C TYR A 69 24.771 -0.620 -13.645 1.00 0.00 C ATOM 527 O TYR A 69 24.134 -0.216 -14.617 1.00 0.00 O ATOM 528 CB TYR A 69 27.003 -1.542 -14.363 1.00 0.00 C ATOM 529 CG TYR A 69 28.513 -1.469 -14.257 1.00 0.00 C ATOM 530 CD1 TYR A 69 29.200 -0.343 -14.747 1.00 0.00 C ATOM 531 CD2 TYR A 69 29.231 -2.524 -13.665 1.00 0.00 C ATOM 532 CE1 TYR A 69 30.600 -0.273 -14.643 1.00 0.00 C ATOM 533 CE2 TYR A 69 30.630 -2.452 -13.561 1.00 0.00 C ATOM 534 CZ TYR A 69 31.315 -1.328 -14.050 1.00 0.00 C ATOM 535 OH TYR A 69 32.673 -1.260 -13.949 1.00 0.00 O ATOM 0 H TYR A 69 27.160 -1.317 -11.905 1.00 0.00 H new ATOM 0 HA TYR A 69 26.521 0.531 -14.049 1.00 0.00 H new ATOM 0 HB2 TYR A 69 26.666 -2.509 -13.990 1.00 0.00 H new ATOM 0 HB3 TYR A 69 26.716 -1.487 -15.413 1.00 0.00 H new ATOM 0 HD1 TYR A 69 28.651 0.468 -15.203 1.00 0.00 H new ATOM 0 HD2 TYR A 69 28.706 -3.390 -13.290 1.00 0.00 H new ATOM 0 HE1 TYR A 69 31.127 0.592 -15.019 1.00 0.00 H new ATOM 0 HE2 TYR A 69 31.179 -3.262 -13.104 1.00 0.00 H new ATOM 0 HH TYR A 69 33.010 -2.071 -13.513 1.00 0.00 H new ATOM 545 N LEU A 70 24.195 -1.234 -12.600 1.00 0.00 N ATOM 546 CA LEU A 70 22.757 -1.472 -12.517 1.00 0.00 C ATOM 547 C LEU A 70 22.245 -0.972 -11.162 1.00 0.00 C ATOM 548 O LEU A 70 22.049 -1.771 -10.254 1.00 0.00 O ATOM 549 CB LEU A 70 22.481 -2.976 -12.669 1.00 0.00 C ATOM 550 CG LEU A 70 22.707 -3.429 -14.121 1.00 0.00 C ATOM 551 CD1 LEU A 70 22.738 -4.959 -14.173 1.00 0.00 C ATOM 552 CD2 LEU A 70 21.571 -2.915 -15.013 1.00 0.00 C ATOM 0 H LEU A 70 24.717 -1.577 -11.793 1.00 0.00 H new ATOM 0 HA LEU A 70 22.241 -0.936 -13.314 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.134 -3.539 -12.002 1.00 0.00 H new ATOM 0 HB3 LEU A 70 21.456 -3.194 -12.371 1.00 0.00 H new ATOM 0 HG LEU A 70 23.654 -3.026 -14.480 1.00 0.00 H new ATOM 0 HD11 LEU A 70 22.898 -5.285 -15.201 1.00 0.00 H new ATOM 0 HD12 LEU A 70 23.549 -5.328 -13.545 1.00 0.00 H new ATOM 0 HD13 LEU A 70 21.789 -5.355 -13.810 1.00 0.00 H new ATOM 0 HD21 LEU A 70 21.739 -3.240 -16.040 1.00 0.00 H new ATOM 0 HD22 LEU A 70 20.621 -3.313 -14.657 1.00 0.00 H new ATOM 0 HD23 LEU A 70 21.545 -1.826 -14.977 1.00 0.00 H new ATOM 564 N PRO A 71 22.029 0.354 -11.018 1.00 0.00 N ATOM 565 CA PRO A 71 21.575 0.946 -9.770 1.00 0.00 C ATOM 566 C PRO A 71 20.300 0.272 -9.255 1.00 0.00 C ATOM 567 O PRO A 71 20.148 0.075 -8.051 1.00 0.00 O ATOM 568 CB PRO A 71 21.344 2.429 -10.072 1.00 0.00 C ATOM 569 CG PRO A 71 21.864 2.681 -11.493 1.00 0.00 C ATOM 570 CD PRO A 71 22.233 1.318 -12.079 1.00 0.00 C ATOM 0 HA PRO A 71 22.313 0.813 -8.979 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.285 2.678 -9.999 1.00 0.00 H new ATOM 0 HB3 PRO A 71 21.869 3.056 -9.352 1.00 0.00 H new ATOM 0 HG2 PRO A 71 21.103 3.170 -12.102 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.731 3.341 -11.476 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.610 1.084 -12.943 1.00 0.00 H new ATOM 0 HD3 PRO A 71 23.268 1.308 -12.420 1.00 0.00 H new ATOM 578 N ASN A 72 19.387 -0.080 -10.169 1.00 0.00 N ATOM 579 CA ASN A 72 18.131 -0.729 -9.804 1.00 0.00 C ATOM 580 C ASN A 72 18.405 -2.067 -9.113 1.00 0.00 C ATOM 581 O ASN A 72 17.609 -2.512 -8.283 1.00 0.00 O ATOM 582 CB ASN A 72 17.288 -0.955 -11.065 1.00 0.00 C ATOM 583 CG ASN A 72 17.014 0.354 -11.799 1.00 0.00 C ATOM 584 OD1 ASN A 72 16.911 1.410 -11.180 1.00 0.00 O ATOM 585 ND2 ASN A 72 16.897 0.283 -13.124 1.00 0.00 N ATOM 0 H ASN A 72 19.500 0.077 -11.171 1.00 0.00 H new ATOM 0 HA ASN A 72 17.586 -0.086 -9.113 1.00 0.00 H new ATOM 0 HB2 ASN A 72 17.806 -1.645 -11.731 1.00 0.00 H new ATOM 0 HB3 ASN A 72 16.343 -1.425 -10.792 1.00 0.00 H new ATOM 0 HD21 ASN A 72 16.715 1.128 -13.666 1.00 0.00 H new ATOM 0 HD22 ASN A 72 16.990 -0.616 -13.597 1.00 0.00 H new ATOM 592 N ARG A 73 19.527 -2.708 -9.466 1.00 0.00 N ATOM 593 CA ARG A 73 19.901 -4.000 -8.918 1.00 0.00 C ATOM 594 C ARG A 73 21.027 -3.816 -7.904 1.00 0.00 C ATOM 595 O ARG A 73 22.196 -3.739 -8.276 1.00 0.00 O ATOM 596 CB ARG A 73 20.340 -4.931 -10.060 1.00 0.00 C ATOM 597 CG ARG A 73 19.360 -4.843 -11.243 1.00 0.00 C ATOM 598 CD ARG A 73 17.947 -5.231 -10.800 1.00 0.00 C ATOM 599 NE ARG A 73 17.017 -5.147 -11.928 1.00 0.00 N ATOM 600 CZ ARG A 73 15.797 -5.700 -11.919 1.00 0.00 C ATOM 601 NH1 ARG A 73 15.362 -6.350 -10.837 1.00 0.00 N ATOM 602 NH2 ARG A 73 15.014 -5.597 -12.995 1.00 0.00 N ATOM 0 H ARG A 73 20.196 -2.337 -10.141 1.00 0.00 H new ATOM 0 HA ARG A 73 19.048 -4.451 -8.410 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.342 -4.660 -10.391 1.00 0.00 H new ATOM 0 HB3 ARG A 73 20.390 -5.958 -9.699 1.00 0.00 H new ATOM 0 HG2 ARG A 73 19.356 -3.830 -11.645 1.00 0.00 H new ATOM 0 HG3 ARG A 73 19.690 -5.503 -12.046 1.00 0.00 H new ATOM 0 HD2 ARG A 73 17.950 -6.244 -10.398 1.00 0.00 H new ATOM 0 HD3 ARG A 73 17.616 -4.571 -9.998 1.00 0.00 H new ATOM 0 HE ARG A 73 17.313 -4.642 -12.763 1.00 0.00 H new ATOM 0 HH11 ARG A 73 15.959 -6.427 -10.014 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.432 -6.770 -10.834 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.345 -5.098 -13.821 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.084 -6.017 -12.991 1.00 0.00 H new ATOM 616 N THR A 74 20.673 -3.749 -6.617 1.00 0.00 N ATOM 617 CA THR A 74 21.655 -3.578 -5.556 1.00 0.00 C ATOM 618 C THR A 74 22.607 -4.776 -5.529 1.00 0.00 C ATOM 619 O THR A 74 22.380 -5.772 -6.213 1.00 0.00 O ATOM 620 CB THR A 74 20.937 -3.423 -4.209 1.00 0.00 C ATOM 621 OG1 THR A 74 20.118 -4.550 -3.975 1.00 0.00 O ATOM 622 CG2 THR A 74 20.073 -2.159 -4.222 1.00 0.00 C ATOM 0 H THR A 74 19.709 -3.811 -6.290 1.00 0.00 H new ATOM 0 HA THR A 74 22.241 -2.678 -5.744 1.00 0.00 H new ATOM 0 HB THR A 74 21.681 -3.342 -3.416 1.00 0.00 H new ATOM 0 HG1 THR A 74 19.662 -4.450 -3.113 1.00 0.00 H new ATOM 0 HG21 THR A 74 19.566 -2.055 -3.263 1.00 0.00 H new ATOM 0 HG22 THR A 74 20.705 -1.288 -4.395 1.00 0.00 H new ATOM 0 HG23 THR A 74 19.332 -2.233 -5.018 1.00 0.00 H new ATOM 630 N ASP A 75 23.672 -4.672 -4.731 1.00 0.00 N ATOM 631 CA ASP A 75 24.662 -5.733 -4.602 1.00 0.00 C ATOM 632 C ASP A 75 23.981 -7.050 -4.216 1.00 0.00 C ATOM 633 O ASP A 75 24.247 -8.087 -4.822 1.00 0.00 O ATOM 634 CB ASP A 75 25.710 -5.318 -3.555 1.00 0.00 C ATOM 635 CG ASP A 75 25.099 -5.158 -2.163 1.00 0.00 C ATOM 636 OD1 ASP A 75 24.032 -4.508 -2.075 1.00 0.00 O ATOM 637 OD2 ASP A 75 25.712 -5.689 -1.213 1.00 0.00 O ATOM 0 H ASP A 75 23.868 -3.850 -4.159 1.00 0.00 H new ATOM 0 HA ASP A 75 25.163 -5.890 -5.557 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.502 -6.066 -3.519 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.172 -4.378 -3.858 1.00 0.00 H new ATOM 642 N VAL A 76 23.101 -7.003 -3.212 1.00 0.00 N ATOM 643 CA VAL A 76 22.382 -8.182 -2.755 1.00 0.00 C ATOM 644 C VAL A 76 21.520 -8.741 -3.890 1.00 0.00 C ATOM 645 O VAL A 76 21.448 -9.955 -4.076 1.00 0.00 O ATOM 646 CB VAL A 76 21.517 -7.806 -1.540 1.00 0.00 C ATOM 647 CG1 VAL A 76 20.647 -8.999 -1.131 1.00 0.00 C ATOM 648 CG2 VAL A 76 22.420 -7.414 -0.366 1.00 0.00 C ATOM 0 H VAL A 76 22.872 -6.151 -2.700 1.00 0.00 H new ATOM 0 HA VAL A 76 23.090 -8.956 -2.457 1.00 0.00 H new ATOM 0 HB VAL A 76 20.877 -6.965 -1.807 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.037 -8.726 -0.270 1.00 0.00 H new ATOM 0 HG12 VAL A 76 19.999 -9.278 -1.961 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.286 -9.843 -0.870 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.805 -7.148 0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 76 23.063 -8.254 -0.105 1.00 0.00 H new ATOM 0 HG23 VAL A 76 23.035 -6.560 -0.650 1.00 0.00 H new ATOM 658 N GLN A 77 20.864 -7.852 -4.648 1.00 0.00 N ATOM 659 CA GLN A 77 19.999 -8.260 -5.747 1.00 0.00 C ATOM 660 C GLN A 77 20.820 -8.944 -6.843 1.00 0.00 C ATOM 661 O GLN A 77 20.398 -9.961 -7.388 1.00 0.00 O ATOM 662 CB GLN A 77 19.267 -7.029 -6.296 1.00 0.00 C ATOM 663 CG GLN A 77 17.829 -7.403 -6.668 1.00 0.00 C ATOM 664 CD GLN A 77 17.089 -6.214 -7.277 1.00 0.00 C ATOM 665 OE1 GLN A 77 16.419 -6.356 -8.296 1.00 0.00 O ATOM 666 NE2 GLN A 77 17.209 -5.041 -6.654 1.00 0.00 N ATOM 0 H GLN A 77 20.921 -6.842 -4.514 1.00 0.00 H new ATOM 0 HA GLN A 77 19.262 -8.978 -5.386 1.00 0.00 H new ATOM 0 HB2 GLN A 77 19.264 -6.234 -5.551 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.790 -6.644 -7.171 1.00 0.00 H new ATOM 0 HG2 GLN A 77 17.838 -8.231 -7.377 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.299 -7.749 -5.780 1.00 0.00 H new ATOM 0 HE21 GLN A 77 17.776 -4.968 -5.809 1.00 0.00 H new ATOM 0 HE22 GLN A 77 16.734 -4.217 -7.022 1.00 0.00 H new ATOM 675 N CYS A 78 21.995 -8.385 -7.162 1.00 0.00 N ATOM 676 CA CYS A 78 22.868 -8.946 -8.185 1.00 0.00 C ATOM 677 C CYS A 78 23.370 -10.315 -7.734 1.00 0.00 C ATOM 678 O CYS A 78 23.373 -11.262 -8.517 1.00 0.00 O ATOM 679 CB CYS A 78 24.047 -8.001 -8.438 1.00 0.00 C ATOM 680 SG CYS A 78 23.460 -6.536 -9.324 1.00 0.00 S ATOM 0 H CYS A 78 22.358 -7.541 -6.720 1.00 0.00 H new ATOM 0 HA CYS A 78 22.310 -9.063 -9.114 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.504 -7.709 -7.492 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.816 -8.508 -9.020 1.00 0.00 H new ATOM 0 HG CYS A 78 23.032 -5.655 -8.470 1.00 0.00 H new ATOM 686 N GLN A 79 23.791 -10.415 -6.466 1.00 0.00 N ATOM 687 CA GLN A 79 24.279 -11.666 -5.910 1.00 0.00 C ATOM 688 C GLN A 79 23.187 -12.729 -6.001 1.00 0.00 C ATOM 689 O GLN A 79 23.444 -13.845 -6.455 1.00 0.00 O ATOM 690 CB GLN A 79 24.710 -11.440 -4.458 1.00 0.00 C ATOM 691 CG GLN A 79 25.357 -12.713 -3.905 1.00 0.00 C ATOM 692 CD GLN A 79 26.062 -12.440 -2.580 1.00 0.00 C ATOM 693 OE1 GLN A 79 25.738 -11.480 -1.886 1.00 0.00 O ATOM 694 NE2 GLN A 79 27.030 -13.287 -2.230 1.00 0.00 N ATOM 0 H GLN A 79 23.800 -9.634 -5.809 1.00 0.00 H new ATOM 0 HA GLN A 79 25.142 -12.016 -6.477 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.414 -10.610 -4.403 1.00 0.00 H new ATOM 0 HB3 GLN A 79 23.847 -11.167 -3.851 1.00 0.00 H new ATOM 0 HG2 GLN A 79 24.595 -13.480 -3.764 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.073 -13.104 -4.628 1.00 0.00 H new ATOM 0 HE21 GLN A 79 27.266 -14.071 -2.838 1.00 0.00 H new ATOM 0 HE22 GLN A 79 27.535 -13.151 -1.354 1.00 0.00 H new ATOM 703 N HIS A 80 21.964 -12.379 -5.575 1.00 0.00 N ATOM 704 CA HIS A 80 20.835 -13.293 -5.639 1.00 0.00 C ATOM 705 C HIS A 80 20.601 -13.710 -7.085 1.00 0.00 C ATOM 706 O HIS A 80 20.388 -14.889 -7.359 1.00 0.00 O ATOM 707 CB HIS A 80 19.587 -12.620 -5.066 1.00 0.00 C ATOM 708 CG HIS A 80 19.593 -12.554 -3.561 1.00 0.00 C ATOM 709 ND1 HIS A 80 18.781 -11.681 -2.849 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.292 -13.246 -2.601 1.00 0.00 C ATOM 711 CE1 HIS A 80 19.033 -11.893 -1.543 1.00 0.00 C ATOM 712 NE2 HIS A 80 19.947 -12.838 -1.323 1.00 0.00 N ATOM 0 H HIS A 80 21.741 -11.464 -5.183 1.00 0.00 H new ATOM 0 HA HIS A 80 21.051 -14.182 -5.046 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.508 -11.610 -5.468 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.703 -13.165 -5.397 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.021 -14.013 -2.817 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.541 -11.349 -0.750 1.00 0.00 H new ATOM 0 HE2 HIS A 80 20.305 -13.178 -0.431 1.00 0.00 H new ATOM 720 N ARG A 81 20.649 -12.742 -8.012 1.00 0.00 N ATOM 721 CA ARG A 81 20.461 -13.016 -9.429 1.00 0.00 C ATOM 722 C ARG A 81 21.752 -13.601 -10.018 1.00 0.00 C ATOM 723 O ARG A 81 22.212 -13.172 -11.073 1.00 0.00 O ATOM 724 CB ARG A 81 20.050 -11.720 -10.148 1.00 0.00 C ATOM 725 CG ARG A 81 19.555 -12.019 -11.577 1.00 0.00 C ATOM 726 CD ARG A 81 18.125 -12.562 -11.551 1.00 0.00 C ATOM 727 NE ARG A 81 17.612 -12.706 -12.919 1.00 0.00 N ATOM 728 CZ ARG A 81 16.395 -13.190 -13.204 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.623 -13.690 -12.230 1.00 0.00 N ATOM 730 NH2 ARG A 81 15.949 -13.173 -14.466 1.00 0.00 N ATOM 0 H ARG A 81 20.818 -11.760 -7.796 1.00 0.00 H new ATOM 0 HA ARG A 81 19.667 -13.750 -9.567 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.263 -11.219 -9.583 1.00 0.00 H new ATOM 0 HB3 ARG A 81 20.898 -11.036 -10.188 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.594 -11.111 -12.178 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.216 -12.744 -12.052 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.104 -13.526 -11.044 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.483 -11.889 -10.983 1.00 0.00 H new ATOM 0 HE ARG A 81 18.213 -12.423 -13.693 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.961 -13.703 -11.268 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.697 -14.057 -12.451 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.535 -12.792 -15.209 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.023 -13.541 -14.685 1.00 0.00 H new ATOM 744 N TRP A 82 22.327 -14.595 -9.335 1.00 0.00 N ATOM 745 CA TRP A 82 23.503 -15.285 -9.816 1.00 0.00 C ATOM 746 C TRP A 82 23.773 -16.505 -8.947 1.00 0.00 C ATOM 747 O TRP A 82 23.590 -17.635 -9.390 1.00 0.00 O ATOM 748 CB TRP A 82 24.734 -14.368 -9.858 1.00 0.00 C ATOM 749 CG TRP A 82 25.834 -14.979 -10.653 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.773 -15.812 -10.181 1.00 0.00 C ATOM 751 CD2 TRP A 82 26.070 -14.900 -12.087 1.00 0.00 C ATOM 752 NE1 TRP A 82 27.563 -16.284 -11.198 1.00 0.00 N ATOM 753 CE2 TRP A 82 27.166 -15.757 -12.412 1.00 0.00 C ATOM 754 CE3 TRP A 82 25.454 -14.215 -13.159 1.00 0.00 C ATOM 755 CZ2 TRP A 82 27.609 -15.939 -13.722 1.00 0.00 C ATOM 756 CZ3 TRP A 82 25.906 -14.391 -14.483 1.00 0.00 C ATOM 757 CH2 TRP A 82 26.976 -15.259 -14.761 1.00 0.00 C ATOM 0 H TRP A 82 21.983 -14.935 -8.437 1.00 0.00 H new ATOM 0 HA TRP A 82 23.309 -15.604 -10.840 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.460 -13.406 -10.291 1.00 0.00 H new ATOM 0 HB3 TRP A 82 25.080 -14.173 -8.843 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.891 -16.076 -9.140 1.00 0.00 H new ATOM 0 HE1 TRP A 82 28.338 -16.935 -11.075 1.00 0.00 H new ATOM 0 HE3 TRP A 82 24.627 -13.549 -12.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 28.436 -16.602 -13.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 25.427 -13.855 -15.289 1.00 0.00 H new ATOM 0 HH2 TRP A 82 27.308 -15.399 -15.779 1.00 0.00 H new ATOM 768 N GLN A 83 24.208 -16.275 -7.707 1.00 0.00 N ATOM 769 CA GLN A 83 24.524 -17.354 -6.787 1.00 0.00 C ATOM 770 C GLN A 83 23.307 -18.257 -6.590 1.00 0.00 C ATOM 771 O GLN A 83 23.460 -19.441 -6.299 1.00 0.00 O ATOM 772 CB GLN A 83 24.980 -16.760 -5.449 1.00 0.00 C ATOM 773 CG GLN A 83 26.289 -15.975 -5.632 1.00 0.00 C ATOM 774 CD GLN A 83 27.437 -16.883 -6.076 1.00 0.00 C ATOM 775 OE1 GLN A 83 28.136 -16.575 -7.036 1.00 0.00 O ATOM 776 NE2 GLN A 83 27.632 -18.001 -5.375 1.00 0.00 N ATOM 0 H GLN A 83 24.348 -15.342 -7.320 1.00 0.00 H new ATOM 0 HA GLN A 83 25.330 -17.960 -7.201 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.206 -16.103 -5.053 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.125 -17.557 -4.720 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.141 -15.188 -6.372 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.554 -15.486 -4.695 1.00 0.00 H new ATOM 0 HE21 GLN A 83 27.027 -18.219 -4.583 1.00 0.00 H new ATOM 0 HE22 GLN A 83 28.386 -18.638 -5.631 1.00 0.00 H new ATOM 785 N LYS A 84 22.097 -17.694 -6.751 1.00 0.00 N ATOM 786 CA LYS A 84 20.863 -18.445 -6.582 1.00 0.00 C ATOM 787 C LYS A 84 20.164 -18.671 -7.934 1.00 0.00 C ATOM 788 O LYS A 84 19.077 -19.250 -7.962 1.00 0.00 O ATOM 789 CB LYS A 84 19.945 -17.672 -5.626 1.00 0.00 C ATOM 790 CG LYS A 84 19.020 -18.649 -4.887 1.00 0.00 C ATOM 791 CD LYS A 84 17.705 -17.953 -4.490 1.00 0.00 C ATOM 792 CE LYS A 84 16.834 -17.655 -5.727 1.00 0.00 C ATOM 793 NZ LYS A 84 16.676 -18.843 -6.588 1.00 0.00 N ATOM 0 H LYS A 84 21.958 -16.715 -7.000 1.00 0.00 H new ATOM 0 HA LYS A 84 21.092 -19.425 -6.165 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.543 -17.110 -4.908 1.00 0.00 H new ATOM 0 HB3 LYS A 84 19.352 -16.947 -6.184 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.806 -19.508 -5.523 1.00 0.00 H new ATOM 0 HG3 LYS A 84 19.520 -19.029 -3.996 1.00 0.00 H new ATOM 0 HD2 LYS A 84 17.151 -18.586 -3.796 1.00 0.00 H new ATOM 0 HD3 LYS A 84 17.927 -17.023 -3.966 1.00 0.00 H new ATOM 0 HE2 LYS A 84 15.853 -17.307 -5.405 1.00 0.00 H new ATOM 0 HE3 LYS A 84 17.285 -16.847 -6.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 15.853 -18.713 -7.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 17.531 -18.969 -7.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 16.532 -19.685 -5.995 1.00 0.00 H new ATOM 807 N VAL A 85 20.770 -18.215 -9.054 1.00 0.00 N ATOM 808 CA VAL A 85 20.159 -18.373 -10.377 1.00 0.00 C ATOM 809 C VAL A 85 21.238 -18.668 -11.441 1.00 0.00 C ATOM 810 O VAL A 85 21.462 -19.830 -11.777 1.00 0.00 O ATOM 811 CB VAL A 85 19.337 -17.113 -10.739 1.00 0.00 C ATOM 812 CG1 VAL A 85 18.488 -17.400 -11.983 1.00 0.00 C ATOM 813 CG2 VAL A 85 18.401 -16.727 -9.586 1.00 0.00 C ATOM 0 H VAL A 85 21.673 -17.740 -9.060 1.00 0.00 H new ATOM 0 HA VAL A 85 19.478 -19.224 -10.353 1.00 0.00 H new ATOM 0 HB VAL A 85 20.029 -16.293 -10.929 1.00 0.00 H new ATOM 0 HG11 VAL A 85 17.908 -16.514 -12.240 1.00 0.00 H new ATOM 0 HG12 VAL A 85 19.140 -17.661 -12.816 1.00 0.00 H new ATOM 0 HG13 VAL A 85 17.811 -18.230 -11.778 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.832 -15.839 -9.861 1.00 0.00 H new ATOM 0 HG22 VAL A 85 17.715 -17.549 -9.384 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.990 -16.518 -8.693 1.00 0.00 H new ATOM 823 N LEU A 86 21.897 -17.623 -11.981 1.00 0.00 N ATOM 824 CA LEU A 86 22.903 -17.797 -13.032 1.00 0.00 C ATOM 825 C LEU A 86 24.169 -18.413 -12.452 1.00 0.00 C ATOM 826 O LEU A 86 24.950 -17.725 -11.808 1.00 0.00 O ATOM 827 CB LEU A 86 23.267 -16.441 -13.670 1.00 0.00 C ATOM 828 CG LEU A 86 22.141 -15.864 -14.545 1.00 0.00 C ATOM 829 CD1 LEU A 86 21.615 -16.921 -15.515 1.00 0.00 C ATOM 830 CD2 LEU A 86 21.007 -15.338 -13.669 1.00 0.00 C ATOM 0 H LEU A 86 21.746 -16.653 -11.703 1.00 0.00 H new ATOM 0 HA LEU A 86 22.481 -18.455 -13.791 1.00 0.00 H new ATOM 0 HB2 LEU A 86 23.508 -15.728 -12.881 1.00 0.00 H new ATOM 0 HB3 LEU A 86 24.165 -16.561 -14.276 1.00 0.00 H new ATOM 0 HG LEU A 86 22.548 -15.037 -15.127 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.819 -16.492 -16.124 1.00 0.00 H new ATOM 0 HD12 LEU A 86 22.426 -17.257 -16.161 1.00 0.00 H new ATOM 0 HD13 LEU A 86 21.224 -17.769 -14.952 1.00 0.00 H new ATOM 0 HD21 LEU A 86 20.217 -14.933 -14.301 1.00 0.00 H new ATOM 0 HD22 LEU A 86 20.606 -16.152 -13.065 1.00 0.00 H new ATOM 0 HD23 LEU A 86 21.387 -14.553 -13.015 1.00 0.00 H new