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 79 GLN : amide:sc= 0.804 K(o=1.4,f=-1.2!) USER MOD Set 1.2: A 83 GLN : amide:sc= 0.576 K(o=1.4,f=-2) USER MOD Set 2.1: A 74 THR OG1 : rot 180:sc= 0.613 USER MOD Set 2.2: A 77 GLN : amide:sc= 0.451 K(o=1.1,f=-3.1!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0792 USER MOD Single : A 50 LYS NZ :NH3+ -173:sc= 1.3 (180deg=0.934) USER MOD Single : A 52 LYS NZ :NH3+ 171:sc= 1.25 (180deg=1.12) USER MOD Single : A 53 LYS NZ :NH3+ 160:sc= 1.03 (180deg=0.771) USER MOD Single : A 57 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.21) USER MOD Single : A 58 ASN : amide:sc= -1 K(o=-1,f=-4.6!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0212 USER MOD Single : A 64 LYS NZ :NH3+ -172:sc= 1.23 (180deg=1.15) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0.24) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 CYS SG : rot 87:sc= 0.115 USER MOD Single : A 80 HIS : no HD1:sc= -0.0533 X(o=-0.053,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 166:sc= -0.0119 (180deg=-0.194) USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 13.137 -9.380 -13.326 1.00 0.00 N ATOM 90 CA TRP A 43 14.329 -9.027 -14.082 1.00 0.00 C ATOM 91 C TRP A 43 14.025 -9.133 -15.573 1.00 0.00 C ATOM 92 O TRP A 43 13.142 -9.893 -15.972 1.00 0.00 O ATOM 93 CB TRP A 43 15.466 -9.981 -13.702 1.00 0.00 C ATOM 94 CG TRP A 43 16.304 -9.539 -12.543 1.00 0.00 C ATOM 95 CD1 TRP A 43 15.954 -9.602 -11.247 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.647 -8.970 -12.553 1.00 0.00 C ATOM 97 NE1 TRP A 43 16.962 -9.125 -10.441 1.00 0.00 N ATOM 98 CE2 TRP A 43 18.044 -8.717 -11.201 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.579 -8.644 -13.565 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.292 -8.174 -10.876 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.835 -8.092 -13.243 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.192 -7.858 -11.902 1.00 0.00 C ATOM 0 HA TRP A 43 14.631 -8.005 -13.853 1.00 0.00 H new ATOM 0 HB2 TRP A 43 15.039 -10.957 -13.471 1.00 0.00 H new ATOM 0 HB3 TRP A 43 16.113 -10.114 -14.569 1.00 0.00 H new ATOM 0 HD1 TRP A 43 15.008 -9.977 -10.886 1.00 0.00 H new ATOM 0 HE1 TRP A 43 16.918 -9.079 -9.423 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.325 -8.821 -14.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.559 -8.000 -9.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.530 -7.846 -14.032 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.157 -7.436 -11.664 1.00 0.00 H new ATOM 113 N THR A 44 14.758 -8.370 -16.394 1.00 0.00 N ATOM 114 CA THR A 44 14.581 -8.384 -17.840 1.00 0.00 C ATOM 115 C THR A 44 15.753 -9.117 -18.485 1.00 0.00 C ATOM 116 O THR A 44 16.867 -9.089 -17.964 1.00 0.00 O ATOM 117 CB THR A 44 14.488 -6.945 -18.362 1.00 0.00 C ATOM 118 OG1 THR A 44 15.671 -6.246 -18.040 1.00 0.00 O ATOM 119 CG2 THR A 44 13.289 -6.236 -17.726 1.00 0.00 C ATOM 0 H THR A 44 15.485 -7.731 -16.071 1.00 0.00 H new ATOM 0 HA THR A 44 13.658 -8.904 -18.095 1.00 0.00 H new ATOM 0 HB THR A 44 14.361 -6.967 -19.444 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.610 -5.327 -18.376 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.229 -5.214 -18.101 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.374 -6.770 -17.980 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.410 -6.218 -16.643 1.00 0.00 H new ATOM 127 N ARG A 45 15.499 -9.771 -19.626 1.00 0.00 N ATOM 128 CA ARG A 45 16.530 -10.510 -20.342 1.00 0.00 C ATOM 129 C ARG A 45 17.709 -9.587 -20.665 1.00 0.00 C ATOM 130 O ARG A 45 18.859 -10.018 -20.644 1.00 0.00 O ATOM 131 CB ARG A 45 15.934 -11.097 -21.625 1.00 0.00 C ATOM 132 CG ARG A 45 16.893 -12.143 -22.207 1.00 0.00 C ATOM 133 CD ARG A 45 16.387 -12.611 -23.576 1.00 0.00 C ATOM 134 NE ARG A 45 16.427 -11.520 -24.563 1.00 0.00 N ATOM 135 CZ ARG A 45 17.566 -11.077 -25.131 1.00 0.00 C ATOM 136 NH1 ARG A 45 18.745 -11.624 -24.803 1.00 0.00 N ATOM 137 NH2 ARG A 45 17.518 -10.083 -26.027 1.00 0.00 N ATOM 0 H ARG A 45 14.581 -9.799 -20.070 1.00 0.00 H new ATOM 0 HA ARG A 45 16.897 -11.325 -19.718 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.967 -11.554 -21.413 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.759 -10.304 -22.353 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.892 -11.718 -22.305 1.00 0.00 H new ATOM 0 HG3 ARG A 45 16.973 -12.993 -21.529 1.00 0.00 H new ATOM 0 HD2 ARG A 45 16.997 -13.444 -23.926 1.00 0.00 H new ATOM 0 HD3 ARG A 45 15.366 -12.981 -23.482 1.00 0.00 H new ATOM 0 HE ARG A 45 15.548 -11.077 -24.831 1.00 0.00 H new ATOM 0 HH11 ARG A 45 18.784 -12.380 -24.120 1.00 0.00 H new ATOM 0 HH12 ARG A 45 19.603 -11.284 -25.237 1.00 0.00 H new ATOM 0 HH21 ARG A 45 16.622 -9.664 -26.277 1.00 0.00 H new ATOM 0 HH22 ARG A 45 18.377 -9.744 -26.460 1.00 0.00 H new ATOM 151 N GLU A 46 17.418 -8.316 -20.966 1.00 0.00 N ATOM 152 CA GLU A 46 18.450 -7.346 -21.287 1.00 0.00 C ATOM 153 C GLU A 46 19.378 -7.157 -20.086 1.00 0.00 C ATOM 154 O GLU A 46 20.598 -7.247 -20.225 1.00 0.00 O ATOM 155 CB GLU A 46 17.796 -6.019 -21.680 1.00 0.00 C ATOM 156 CG GLU A 46 18.864 -5.061 -22.216 1.00 0.00 C ATOM 157 CD GLU A 46 18.309 -3.651 -22.364 1.00 0.00 C ATOM 158 OE1 GLU A 46 17.142 -3.540 -22.790 1.00 0.00 O ATOM 159 OE2 GLU A 46 19.071 -2.710 -22.046 1.00 0.00 O ATOM 0 H GLU A 46 16.469 -7.942 -20.992 1.00 0.00 H new ATOM 0 HA GLU A 46 19.045 -7.707 -22.126 1.00 0.00 H new ATOM 0 HB2 GLU A 46 17.031 -6.189 -22.438 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.297 -5.578 -20.817 1.00 0.00 H new ATOM 0 HG2 GLU A 46 19.719 -5.050 -21.540 1.00 0.00 H new ATOM 0 HG3 GLU A 46 19.225 -5.417 -23.181 1.00 0.00 H new ATOM 166 N GLU A 47 18.799 -6.892 -18.907 1.00 0.00 N ATOM 167 CA GLU A 47 19.584 -6.677 -17.702 1.00 0.00 C ATOM 168 C GLU A 47 20.334 -7.957 -17.336 1.00 0.00 C ATOM 169 O GLU A 47 21.460 -7.892 -16.855 1.00 0.00 O ATOM 170 CB GLU A 47 18.670 -6.222 -16.561 1.00 0.00 C ATOM 171 CG GLU A 47 19.454 -5.326 -15.598 1.00 0.00 C ATOM 172 CD GLU A 47 18.540 -4.766 -14.518 1.00 0.00 C ATOM 173 OE1 GLU A 47 17.923 -5.590 -13.809 1.00 0.00 O ATOM 174 OE2 GLU A 47 18.472 -3.523 -14.416 1.00 0.00 O ATOM 0 H GLU A 47 17.791 -6.823 -18.771 1.00 0.00 H new ATOM 0 HA GLU A 47 20.320 -5.893 -17.880 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.814 -5.680 -16.962 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.278 -7.089 -16.029 1.00 0.00 H new ATOM 0 HG2 GLU A 47 20.261 -5.897 -15.138 1.00 0.00 H new ATOM 0 HG3 GLU A 47 19.916 -4.508 -16.150 1.00 0.00 H new ATOM 181 N ASP A 48 19.714 -9.122 -17.574 1.00 0.00 N ATOM 182 CA ASP A 48 20.354 -10.402 -17.301 1.00 0.00 C ATOM 183 C ASP A 48 21.594 -10.547 -18.180 1.00 0.00 C ATOM 184 O ASP A 48 22.643 -10.971 -17.704 1.00 0.00 O ATOM 185 CB ASP A 48 19.372 -11.550 -17.570 1.00 0.00 C ATOM 186 CG ASP A 48 18.283 -11.618 -16.506 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.609 -11.344 -15.334 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.138 -11.952 -16.882 1.00 0.00 O ATOM 0 H ASP A 48 18.771 -9.196 -17.955 1.00 0.00 H new ATOM 0 HA ASP A 48 20.652 -10.442 -16.253 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.915 -11.417 -18.551 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.915 -12.495 -17.597 1.00 0.00 H new ATOM 193 N GLU A 49 21.475 -10.190 -19.466 1.00 0.00 N ATOM 194 CA GLU A 49 22.596 -10.269 -20.391 1.00 0.00 C ATOM 195 C GLU A 49 23.690 -9.295 -19.960 1.00 0.00 C ATOM 196 O GLU A 49 24.867 -9.643 -19.983 1.00 0.00 O ATOM 197 CB GLU A 49 22.121 -9.961 -21.818 1.00 0.00 C ATOM 198 CG GLU A 49 21.795 -11.267 -22.555 1.00 0.00 C ATOM 199 CD GLU A 49 23.038 -12.143 -22.719 1.00 0.00 C ATOM 200 OE1 GLU A 49 24.140 -11.559 -22.840 1.00 0.00 O ATOM 201 OE2 GLU A 49 22.864 -13.381 -22.720 1.00 0.00 O ATOM 0 H GLU A 49 20.610 -9.845 -19.882 1.00 0.00 H new ATOM 0 HA GLU A 49 23.007 -11.279 -20.378 1.00 0.00 H new ATOM 0 HB2 GLU A 49 21.239 -9.321 -21.787 1.00 0.00 H new ATOM 0 HB3 GLU A 49 22.893 -9.412 -22.357 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.032 -11.816 -22.004 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.378 -11.038 -23.536 1.00 0.00 H new ATOM 208 N LYS A 50 23.308 -8.077 -19.559 1.00 0.00 N ATOM 209 CA LYS A 50 24.272 -7.090 -19.097 1.00 0.00 C ATOM 210 C LYS A 50 25.005 -7.640 -17.871 1.00 0.00 C ATOM 211 O LYS A 50 26.230 -7.567 -17.795 1.00 0.00 O ATOM 212 CB LYS A 50 23.556 -5.778 -18.756 1.00 0.00 C ATOM 213 CG LYS A 50 23.221 -5.014 -20.042 1.00 0.00 C ATOM 214 CD LYS A 50 22.520 -3.696 -19.685 1.00 0.00 C ATOM 215 CE LYS A 50 22.567 -2.733 -20.878 1.00 0.00 C ATOM 216 NZ LYS A 50 21.711 -3.199 -21.983 1.00 0.00 N ATOM 0 H LYS A 50 22.339 -7.758 -19.548 1.00 0.00 H new ATOM 0 HA LYS A 50 24.998 -6.887 -19.884 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.643 -5.987 -18.199 1.00 0.00 H new ATOM 0 HB3 LYS A 50 24.188 -5.165 -18.113 1.00 0.00 H new ATOM 0 HG2 LYS A 50 24.132 -4.813 -20.606 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.578 -5.619 -20.680 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.485 -3.890 -19.405 1.00 0.00 H new ATOM 0 HD3 LYS A 50 23.004 -3.240 -18.821 1.00 0.00 H new ATOM 0 HE2 LYS A 50 22.244 -1.742 -20.560 1.00 0.00 H new ATOM 0 HE3 LYS A 50 23.595 -2.636 -21.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.856 -2.592 -22.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 21.958 -4.180 -22.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.714 -3.154 -21.692 1.00 0.00 H new ATOM 230 N LEU A 51 24.246 -8.198 -16.919 1.00 0.00 N ATOM 231 CA LEU A 51 24.808 -8.769 -15.707 1.00 0.00 C ATOM 232 C LEU A 51 25.776 -9.893 -16.072 1.00 0.00 C ATOM 233 O LEU A 51 26.865 -9.975 -15.517 1.00 0.00 O ATOM 234 CB LEU A 51 23.660 -9.288 -14.824 1.00 0.00 C ATOM 235 CG LEU A 51 24.202 -9.938 -13.541 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.984 -8.911 -12.719 1.00 0.00 C ATOM 237 CD2 LEU A 51 23.029 -10.461 -12.708 1.00 0.00 C ATOM 0 H LEU A 51 23.230 -8.262 -16.975 1.00 0.00 H new ATOM 0 HA LEU A 51 25.363 -8.013 -15.152 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.995 -8.464 -14.565 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.067 -10.014 -15.381 1.00 0.00 H new ATOM 0 HG LEU A 51 24.866 -10.760 -13.810 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.363 -9.383 -11.813 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.820 -8.534 -13.308 1.00 0.00 H new ATOM 0 HD13 LEU A 51 24.327 -8.084 -12.450 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.408 -10.923 -11.796 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.370 -9.633 -12.448 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.473 -11.200 -13.286 1.00 0.00 H new ATOM 249 N LYS A 52 25.372 -10.753 -17.012 1.00 0.00 N ATOM 250 CA LYS A 52 26.197 -11.863 -17.458 1.00 0.00 C ATOM 251 C LYS A 52 27.527 -11.340 -18.001 1.00 0.00 C ATOM 252 O LYS A 52 28.587 -11.739 -17.530 1.00 0.00 O ATOM 253 CB LYS A 52 25.434 -12.646 -18.534 1.00 0.00 C ATOM 254 CG LYS A 52 26.216 -13.905 -18.926 1.00 0.00 C ATOM 255 CD LYS A 52 25.637 -14.509 -20.211 1.00 0.00 C ATOM 256 CE LYS A 52 24.164 -14.888 -20.008 1.00 0.00 C ATOM 257 NZ LYS A 52 23.601 -15.491 -21.229 1.00 0.00 N ATOM 0 H LYS A 52 24.467 -10.694 -17.479 1.00 0.00 H new ATOM 0 HA LYS A 52 26.415 -12.527 -16.622 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.447 -12.923 -18.162 1.00 0.00 H new ATOM 0 HB3 LYS A 52 25.279 -12.017 -19.411 1.00 0.00 H new ATOM 0 HG2 LYS A 52 27.267 -13.658 -19.073 1.00 0.00 H new ATOM 0 HG3 LYS A 52 26.170 -14.636 -18.119 1.00 0.00 H new ATOM 0 HD2 LYS A 52 25.726 -13.794 -21.029 1.00 0.00 H new ATOM 0 HD3 LYS A 52 26.210 -15.391 -20.496 1.00 0.00 H new ATOM 0 HE2 LYS A 52 24.076 -15.589 -19.178 1.00 0.00 H new ATOM 0 HE3 LYS A 52 23.590 -14.001 -19.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 22.657 -15.876 -21.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 23.524 -14.766 -21.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 24.223 -16.257 -21.557 1.00 0.00 H new ATOM 271 N LYS A 53 27.464 -10.448 -18.997 1.00 0.00 N ATOM 272 CA LYS A 53 28.659 -9.888 -19.614 1.00 0.00 C ATOM 273 C LYS A 53 29.573 -9.283 -18.549 1.00 0.00 C ATOM 274 O LYS A 53 30.780 -9.513 -18.569 1.00 0.00 O ATOM 275 CB LYS A 53 28.254 -8.830 -20.645 1.00 0.00 C ATOM 276 CG LYS A 53 27.647 -9.508 -21.878 1.00 0.00 C ATOM 277 CD LYS A 53 27.331 -8.449 -22.938 1.00 0.00 C ATOM 278 CE LYS A 53 26.751 -9.115 -24.191 1.00 0.00 C ATOM 279 NZ LYS A 53 25.350 -9.525 -23.983 1.00 0.00 N ATOM 0 H LYS A 53 26.589 -10.101 -19.390 1.00 0.00 H new ATOM 0 HA LYS A 53 29.209 -10.682 -20.120 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.533 -8.140 -20.207 1.00 0.00 H new ATOM 0 HB3 LYS A 53 29.124 -8.240 -20.935 1.00 0.00 H new ATOM 0 HG2 LYS A 53 28.342 -10.245 -22.280 1.00 0.00 H new ATOM 0 HG3 LYS A 53 26.739 -10.044 -21.602 1.00 0.00 H new ATOM 0 HD2 LYS A 53 26.620 -7.725 -22.539 1.00 0.00 H new ATOM 0 HD3 LYS A 53 28.236 -7.899 -23.195 1.00 0.00 H new ATOM 0 HE2 LYS A 53 26.808 -8.424 -25.032 1.00 0.00 H new ATOM 0 HE3 LYS A 53 27.352 -9.986 -24.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 24.885 -9.652 -24.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 25.325 -10.421 -23.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 24.850 -8.791 -23.441 1.00 0.00 H new ATOM 293 N LEU A 54 29.000 -8.510 -17.619 1.00 0.00 N ATOM 294 CA LEU A 54 29.775 -7.882 -16.560 1.00 0.00 C ATOM 295 C LEU A 54 30.455 -8.951 -15.704 1.00 0.00 C ATOM 296 O LEU A 54 31.663 -8.907 -15.517 1.00 0.00 O ATOM 297 CB LEU A 54 28.859 -6.997 -15.704 1.00 0.00 C ATOM 298 CG LEU A 54 28.493 -5.714 -16.469 1.00 0.00 C ATOM 299 CD1 LEU A 54 27.311 -5.028 -15.780 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.691 -4.756 -16.491 1.00 0.00 C ATOM 0 H LEU A 54 28.001 -8.308 -17.584 1.00 0.00 H new ATOM 0 HA LEU A 54 30.550 -7.255 -17.001 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.953 -7.544 -15.443 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.358 -6.742 -14.769 1.00 0.00 H new ATOM 0 HG LEU A 54 28.223 -5.975 -17.492 1.00 0.00 H new ATOM 0 HD11 LEU A 54 27.052 -4.119 -16.322 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.454 -5.702 -15.771 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.584 -4.774 -14.756 1.00 0.00 H new ATOM 0 HD21 LEU A 54 29.423 -3.850 -17.035 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.969 -4.497 -15.469 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.534 -5.239 -16.985 1.00 0.00 H new ATOM 312 N VAL A 55 29.681 -9.910 -15.190 1.00 0.00 N ATOM 313 CA VAL A 55 30.220 -10.977 -14.353 1.00 0.00 C ATOM 314 C VAL A 55 31.399 -11.655 -15.055 1.00 0.00 C ATOM 315 O VAL A 55 32.438 -11.876 -14.440 1.00 0.00 O ATOM 316 CB VAL A 55 29.105 -11.987 -14.034 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.713 -13.299 -13.530 1.00 0.00 C ATOM 318 CG2 VAL A 55 28.190 -11.410 -12.951 1.00 0.00 C ATOM 0 H VAL A 55 28.674 -9.966 -15.342 1.00 0.00 H new ATOM 0 HA VAL A 55 30.588 -10.558 -13.416 1.00 0.00 H new ATOM 0 HB VAL A 55 28.532 -12.180 -14.941 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.915 -14.008 -13.307 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.365 -13.716 -14.297 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.292 -13.108 -12.626 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.399 -12.125 -12.724 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.771 -11.214 -12.050 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.747 -10.480 -13.307 1.00 0.00 H new ATOM 328 N GLU A 56 31.239 -11.984 -16.340 1.00 0.00 N ATOM 329 CA GLU A 56 32.293 -12.638 -17.102 1.00 0.00 C ATOM 330 C GLU A 56 33.498 -11.702 -17.261 1.00 0.00 C ATOM 331 O GLU A 56 34.638 -12.162 -17.262 1.00 0.00 O ATOM 332 CB GLU A 56 31.749 -13.059 -18.473 1.00 0.00 C ATOM 333 CG GLU A 56 30.682 -14.151 -18.310 1.00 0.00 C ATOM 334 CD GLU A 56 31.276 -15.422 -17.714 1.00 0.00 C ATOM 335 OE1 GLU A 56 32.080 -16.060 -18.427 1.00 0.00 O ATOM 336 OE2 GLU A 56 30.914 -15.731 -16.558 1.00 0.00 O ATOM 0 H GLU A 56 30.386 -11.805 -16.870 1.00 0.00 H new ATOM 0 HA GLU A 56 32.625 -13.527 -16.565 1.00 0.00 H new ATOM 0 HB2 GLU A 56 31.321 -12.196 -18.983 1.00 0.00 H new ATOM 0 HB3 GLU A 56 32.563 -13.427 -19.098 1.00 0.00 H new ATOM 0 HG2 GLU A 56 29.880 -13.786 -17.668 1.00 0.00 H new ATOM 0 HG3 GLU A 56 30.237 -14.375 -19.279 1.00 0.00 H new ATOM 343 N GLN A 57 33.248 -10.391 -17.399 1.00 0.00 N ATOM 344 CA GLN A 57 34.316 -9.415 -17.568 1.00 0.00 C ATOM 345 C GLN A 57 35.170 -9.338 -16.301 1.00 0.00 C ATOM 346 O GLN A 57 36.375 -9.581 -16.350 1.00 0.00 O ATOM 347 CB GLN A 57 33.710 -8.038 -17.891 1.00 0.00 C ATOM 348 CG GLN A 57 34.820 -6.999 -18.111 1.00 0.00 C ATOM 349 CD GLN A 57 35.749 -7.403 -19.252 1.00 0.00 C ATOM 350 OE1 GLN A 57 35.496 -7.072 -20.407 1.00 0.00 O ATOM 351 NE2 GLN A 57 36.829 -8.117 -18.928 1.00 0.00 N ATOM 0 H GLN A 57 32.310 -9.989 -17.396 1.00 0.00 H new ATOM 0 HA GLN A 57 34.956 -9.725 -18.394 1.00 0.00 H new ATOM 0 HB2 GLN A 57 33.088 -8.108 -18.783 1.00 0.00 H new ATOM 0 HB3 GLN A 57 33.062 -7.719 -17.075 1.00 0.00 H new ATOM 0 HG2 GLN A 57 34.373 -6.029 -18.331 1.00 0.00 H new ATOM 0 HG3 GLN A 57 35.398 -6.883 -17.194 1.00 0.00 H new ATOM 0 HE21 GLN A 57 37.000 -8.370 -17.955 1.00 0.00 H new ATOM 0 HE22 GLN A 57 37.483 -8.410 -19.654 1.00 0.00 H new ATOM 360 N ASN A 58 34.539 -8.982 -15.176 1.00 0.00 N ATOM 361 CA ASN A 58 35.234 -8.840 -13.898 1.00 0.00 C ATOM 362 C ASN A 58 35.209 -10.171 -13.146 1.00 0.00 C ATOM 363 O ASN A 58 36.194 -10.905 -13.160 1.00 0.00 O ATOM 364 CB ASN A 58 34.598 -7.707 -13.064 1.00 0.00 C ATOM 365 CG ASN A 58 33.123 -7.519 -13.398 1.00 0.00 C ATOM 366 OD1 ASN A 58 32.265 -8.154 -12.797 1.00 0.00 O ATOM 367 ND2 ASN A 58 32.835 -6.646 -14.369 1.00 0.00 N ATOM 0 H ASN A 58 33.539 -8.786 -15.129 1.00 0.00 H new ATOM 0 HA ASN A 58 36.275 -8.571 -14.080 1.00 0.00 H new ATOM 0 HB2 ASN A 58 34.705 -7.933 -12.003 1.00 0.00 H new ATOM 0 HB3 ASN A 58 35.134 -6.776 -13.247 1.00 0.00 H new ATOM 0 HD21 ASN A 58 31.865 -6.485 -14.639 1.00 0.00 H new ATOM 0 HD22 ASN A 58 33.586 -6.141 -14.840 1.00 0.00 H new ATOM 374 N GLY A 59 34.087 -10.481 -12.487 1.00 0.00 N ATOM 375 CA GLY A 59 33.955 -11.716 -11.733 1.00 0.00 C ATOM 376 C GLY A 59 32.755 -11.639 -10.798 1.00 0.00 C ATOM 377 O GLY A 59 32.052 -10.631 -10.765 1.00 0.00 O ATOM 0 H GLY A 59 33.259 -9.886 -12.466 1.00 0.00 H new ATOM 0 HA2 GLY A 59 33.838 -12.557 -12.417 1.00 0.00 H new ATOM 0 HA3 GLY A 59 34.862 -11.897 -11.157 1.00 0.00 H new ATOM 381 N THR A 60 32.528 -12.712 -10.031 1.00 0.00 N ATOM 382 CA THR A 60 31.423 -12.778 -9.083 1.00 0.00 C ATOM 383 C THR A 60 31.880 -12.291 -7.701 1.00 0.00 C ATOM 384 O THR A 60 31.247 -12.609 -6.694 1.00 0.00 O ATOM 385 CB THR A 60 30.930 -14.229 -9.006 1.00 0.00 C ATOM 386 OG1 THR A 60 32.027 -15.089 -8.776 1.00 0.00 O ATOM 387 CG2 THR A 60 30.250 -14.620 -10.319 1.00 0.00 C ATOM 0 H THR A 60 33.105 -13.552 -10.054 1.00 0.00 H new ATOM 0 HA THR A 60 30.610 -12.133 -9.415 1.00 0.00 H new ATOM 0 HB THR A 60 30.214 -14.318 -8.189 1.00 0.00 H new ATOM 0 HG1 THR A 60 31.711 -16.015 -8.725 1.00 0.00 H new ATOM 0 HG21 THR A 60 29.903 -15.651 -10.256 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.400 -13.962 -10.499 1.00 0.00 H new ATOM 0 HG23 THR A 60 30.962 -14.526 -11.139 1.00 0.00 H new ATOM 395 N ASP A 61 32.983 -11.525 -7.654 1.00 0.00 N ATOM 396 CA ASP A 61 33.532 -11.026 -6.402 1.00 0.00 C ATOM 397 C ASP A 61 32.927 -9.660 -6.060 1.00 0.00 C ATOM 398 O ASP A 61 32.016 -9.576 -5.235 1.00 0.00 O ATOM 399 CB ASP A 61 35.058 -10.946 -6.523 1.00 0.00 C ATOM 400 CG ASP A 61 35.679 -10.372 -5.255 1.00 0.00 C ATOM 401 OD1 ASP A 61 35.398 -10.941 -4.179 1.00 0.00 O ATOM 402 OD2 ASP A 61 36.422 -9.378 -5.388 1.00 0.00 O ATOM 0 H ASP A 61 33.509 -11.241 -8.481 1.00 0.00 H new ATOM 0 HA ASP A 61 33.278 -11.707 -5.590 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.464 -11.940 -6.713 1.00 0.00 H new ATOM 0 HB3 ASP A 61 35.326 -10.324 -7.377 1.00 0.00 H new ATOM 407 N ASP A 62 33.438 -8.590 -6.690 1.00 0.00 N ATOM 408 CA ASP A 62 32.966 -7.236 -6.425 1.00 0.00 C ATOM 409 C ASP A 62 31.582 -7.022 -7.034 1.00 0.00 C ATOM 410 O ASP A 62 31.452 -6.625 -8.193 1.00 0.00 O ATOM 411 CB ASP A 62 33.977 -6.210 -6.970 1.00 0.00 C ATOM 412 CG ASP A 62 34.486 -5.302 -5.856 1.00 0.00 C ATOM 413 OD1 ASP A 62 33.621 -4.712 -5.168 1.00 0.00 O ATOM 414 OD2 ASP A 62 35.723 -5.211 -5.715 1.00 0.00 O ATOM 0 H ASP A 62 34.180 -8.645 -7.387 1.00 0.00 H new ATOM 0 HA ASP A 62 32.881 -7.095 -5.348 1.00 0.00 H new ATOM 0 HB2 ASP A 62 34.816 -6.730 -7.432 1.00 0.00 H new ATOM 0 HB3 ASP A 62 33.507 -5.609 -7.748 1.00 0.00 H new ATOM 419 N TRP A 63 30.544 -7.279 -6.238 1.00 0.00 N ATOM 420 CA TRP A 63 29.174 -7.079 -6.669 1.00 0.00 C ATOM 421 C TRP A 63 28.821 -5.594 -6.604 1.00 0.00 C ATOM 422 O TRP A 63 27.885 -5.154 -7.266 1.00 0.00 O ATOM 423 CB TRP A 63 28.242 -7.909 -5.788 1.00 0.00 C ATOM 424 CG TRP A 63 28.286 -9.373 -6.079 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.680 -10.337 -5.230 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.938 -10.063 -7.314 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.610 -11.574 -5.825 1.00 0.00 N ATOM 428 CE2 TRP A 63 28.153 -11.465 -7.127 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.464 -9.651 -8.581 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.910 -12.399 -8.136 1.00 0.00 C ATOM 431 CZ3 TRP A 63 27.222 -10.590 -9.602 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.443 -11.960 -9.380 1.00 0.00 C ATOM 0 H TRP A 63 30.635 -7.629 -5.284 1.00 0.00 H new ATOM 0 HA TRP A 63 29.057 -7.407 -7.702 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.505 -7.747 -4.743 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.220 -7.552 -5.918 1.00 0.00 H new ATOM 0 HD1 TRP A 63 29.008 -10.163 -4.216 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.860 -12.452 -5.370 1.00 0.00 H new ATOM 0 HE3 TRP A 63 27.285 -8.602 -8.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 28.081 -13.450 -7.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.863 -10.255 -10.564 1.00 0.00 H new ATOM 0 HH2 TRP A 63 27.253 -12.673 -10.168 1.00 0.00 H new ATOM 443 N LYS A 64 29.574 -4.821 -5.811 1.00 0.00 N ATOM 444 CA LYS A 64 29.340 -3.393 -5.682 1.00 0.00 C ATOM 445 C LYS A 64 29.667 -2.699 -7.003 1.00 0.00 C ATOM 446 O LYS A 64 28.913 -1.842 -7.457 1.00 0.00 O ATOM 447 CB LYS A 64 30.201 -2.835 -4.539 1.00 0.00 C ATOM 448 CG LYS A 64 29.472 -1.670 -3.859 1.00 0.00 C ATOM 449 CD LYS A 64 28.449 -2.219 -2.857 1.00 0.00 C ATOM 450 CE LYS A 64 27.574 -1.079 -2.330 1.00 0.00 C ATOM 451 NZ LYS A 64 26.561 -1.589 -1.388 1.00 0.00 N ATOM 0 H LYS A 64 30.351 -5.171 -5.251 1.00 0.00 H new ATOM 0 HA LYS A 64 28.292 -3.208 -5.447 1.00 0.00 H new ATOM 0 HB2 LYS A 64 30.409 -3.620 -3.812 1.00 0.00 H new ATOM 0 HB3 LYS A 64 31.162 -2.497 -4.927 1.00 0.00 H new ATOM 0 HG2 LYS A 64 30.189 -1.028 -3.347 1.00 0.00 H new ATOM 0 HG3 LYS A 64 28.970 -1.055 -4.607 1.00 0.00 H new ATOM 0 HD2 LYS A 64 27.827 -2.975 -3.336 1.00 0.00 H new ATOM 0 HD3 LYS A 64 28.963 -2.707 -2.029 1.00 0.00 H new ATOM 0 HE2 LYS A 64 28.198 -0.336 -1.833 1.00 0.00 H new ATOM 0 HE3 LYS A 64 27.082 -0.577 -3.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 25.895 -0.827 -1.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 26.042 -2.376 -1.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 27.030 -1.925 -0.522 1.00 0.00 H new ATOM 465 N VAL A 65 30.794 -3.077 -7.623 1.00 0.00 N ATOM 466 CA VAL A 65 31.211 -2.497 -8.893 1.00 0.00 C ATOM 467 C VAL A 65 30.124 -2.729 -9.943 1.00 0.00 C ATOM 468 O VAL A 65 29.774 -1.820 -10.693 1.00 0.00 O ATOM 469 CB VAL A 65 32.538 -3.138 -9.329 1.00 0.00 C ATOM 470 CG1 VAL A 65 32.958 -2.590 -10.694 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.628 -2.820 -8.302 1.00 0.00 C ATOM 0 H VAL A 65 31.431 -3.785 -7.258 1.00 0.00 H new ATOM 0 HA VAL A 65 31.359 -1.423 -8.783 1.00 0.00 H new ATOM 0 HB VAL A 65 32.403 -4.217 -9.397 1.00 0.00 H new ATOM 0 HG11 VAL A 65 33.899 -3.049 -10.996 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.189 -2.821 -11.431 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.086 -1.509 -10.629 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.567 -3.276 -8.615 1.00 0.00 H new ATOM 0 HG22 VAL A 65 33.756 -1.740 -8.230 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.338 -3.217 -7.329 1.00 0.00 H new ATOM 481 N ILE A 66 29.597 -3.953 -9.989 1.00 0.00 N ATOM 482 CA ILE A 66 28.560 -4.323 -10.938 1.00 0.00 C ATOM 483 C ILE A 66 27.270 -3.554 -10.625 1.00 0.00 C ATOM 484 O ILE A 66 26.618 -3.033 -11.532 1.00 0.00 O ATOM 485 CB ILE A 66 28.347 -5.846 -10.866 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.652 -6.559 -11.268 1.00 0.00 C ATOM 487 CG2 ILE A 66 27.219 -6.262 -11.816 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.596 -8.036 -10.885 1.00 0.00 C ATOM 0 H ILE A 66 29.880 -4.711 -9.368 1.00 0.00 H new ATOM 0 HA ILE A 66 28.859 -4.061 -11.953 1.00 0.00 H new ATOM 0 HB ILE A 66 28.074 -6.126 -9.849 1.00 0.00 H new ATOM 0 HG12 ILE A 66 29.810 -6.462 -12.342 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.500 -6.082 -10.777 1.00 0.00 H new ATOM 0 HG21 ILE A 66 27.075 -7.341 -11.759 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.297 -5.757 -11.529 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.482 -5.985 -12.837 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.526 -8.523 -11.177 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.461 -8.128 -9.807 1.00 0.00 H new ATOM 0 HD13 ILE A 66 28.761 -8.513 -11.397 1.00 0.00 H new ATOM 500 N ALA A 67 26.907 -3.484 -9.338 1.00 0.00 N ATOM 501 CA ALA A 67 25.701 -2.790 -8.905 1.00 0.00 C ATOM 502 C ALA A 67 25.753 -1.317 -9.304 1.00 0.00 C ATOM 503 O ALA A 67 24.741 -0.751 -9.702 1.00 0.00 O ATOM 504 CB ALA A 67 25.559 -2.927 -7.390 1.00 0.00 C ATOM 0 H ALA A 67 27.440 -3.905 -8.578 1.00 0.00 H new ATOM 0 HA ALA A 67 24.836 -3.239 -9.393 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.658 -2.409 -7.061 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.489 -3.982 -7.125 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.429 -2.488 -6.902 1.00 0.00 H new ATOM 510 N ASN A 68 26.932 -0.694 -9.198 1.00 0.00 N ATOM 511 CA ASN A 68 27.096 0.712 -9.549 1.00 0.00 C ATOM 512 C ASN A 68 26.716 0.952 -11.014 1.00 0.00 C ATOM 513 O ASN A 68 26.303 2.055 -11.366 1.00 0.00 O ATOM 514 CB ASN A 68 28.546 1.141 -9.293 1.00 0.00 C ATOM 515 CG ASN A 68 28.718 1.670 -7.871 1.00 0.00 C ATOM 516 OD1 ASN A 68 28.398 0.983 -6.905 1.00 0.00 O ATOM 517 ND2 ASN A 68 29.226 2.896 -7.744 1.00 0.00 N ATOM 0 H ASN A 68 27.785 -1.147 -8.871 1.00 0.00 H new ATOM 0 HA ASN A 68 26.432 1.311 -8.926 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.213 0.294 -9.453 1.00 0.00 H new ATOM 0 HB3 ASN A 68 28.833 1.912 -10.009 1.00 0.00 H new ATOM 0 HD21 ASN A 68 29.362 3.298 -6.817 1.00 0.00 H new ATOM 0 HD22 ASN A 68 29.478 3.432 -8.574 1.00 0.00 H new ATOM 524 N TYR A 69 26.857 -0.074 -11.868 1.00 0.00 N ATOM 525 CA TYR A 69 26.533 0.055 -13.283 1.00 0.00 C ATOM 526 C TYR A 69 25.037 -0.163 -13.512 1.00 0.00 C ATOM 527 O TYR A 69 24.403 0.628 -14.203 1.00 0.00 O ATOM 528 CB TYR A 69 27.350 -0.956 -14.097 1.00 0.00 C ATOM 529 CG TYR A 69 28.851 -0.876 -13.875 1.00 0.00 C ATOM 530 CD1 TYR A 69 29.480 0.364 -13.633 1.00 0.00 C ATOM 531 CD2 TYR A 69 29.623 -2.050 -13.926 1.00 0.00 C ATOM 532 CE1 TYR A 69 30.870 0.421 -13.440 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.013 -1.990 -13.736 1.00 0.00 C ATOM 534 CZ TYR A 69 31.636 -0.755 -13.492 1.00 0.00 C ATOM 535 OH TYR A 69 32.987 -0.699 -13.309 1.00 0.00 O ATOM 0 H TYR A 69 27.193 -0.998 -11.596 1.00 0.00 H new ATOM 0 HA TYR A 69 26.786 1.063 -13.612 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.012 -1.962 -13.848 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.143 -0.803 -15.156 1.00 0.00 H new ATOM 0 HD1 TYR A 69 28.892 1.269 -13.596 1.00 0.00 H new ATOM 0 HD2 TYR A 69 29.146 -3.001 -14.112 1.00 0.00 H new ATOM 0 HE1 TYR A 69 31.350 1.370 -13.251 1.00 0.00 H new ATOM 0 HE2 TYR A 69 31.603 -2.894 -13.777 1.00 0.00 H new ATOM 0 HH TYR A 69 33.364 -1.601 -13.375 1.00 0.00 H new ATOM 545 N LEU A 70 24.477 -1.241 -12.942 1.00 0.00 N ATOM 546 CA LEU A 70 23.064 -1.571 -13.125 1.00 0.00 C ATOM 547 C LEU A 70 22.193 -0.705 -12.194 1.00 0.00 C ATOM 548 O LEU A 70 22.311 -0.807 -10.975 1.00 0.00 O ATOM 549 CB LEU A 70 22.854 -3.062 -12.831 1.00 0.00 C ATOM 550 CG LEU A 70 23.669 -3.928 -13.808 1.00 0.00 C ATOM 551 CD1 LEU A 70 23.498 -5.401 -13.437 1.00 0.00 C ATOM 552 CD2 LEU A 70 23.181 -3.710 -15.245 1.00 0.00 C ATOM 0 H LEU A 70 24.986 -1.897 -12.350 1.00 0.00 H new ATOM 0 HA LEU A 70 22.769 -1.365 -14.154 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.153 -3.281 -11.806 1.00 0.00 H new ATOM 0 HB3 LEU A 70 21.796 -3.309 -12.914 1.00 0.00 H new ATOM 0 HG LEU A 70 24.720 -3.645 -13.743 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.073 -6.019 -14.126 1.00 0.00 H new ATOM 0 HD12 LEU A 70 23.854 -5.564 -12.420 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.444 -5.672 -13.500 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.766 -4.329 -15.926 1.00 0.00 H new ATOM 0 HD22 LEU A 70 22.129 -3.986 -15.318 1.00 0.00 H new ATOM 0 HD23 LEU A 70 23.301 -2.661 -15.515 1.00 0.00 H new ATOM 564 N PRO A 71 21.315 0.158 -12.758 1.00 0.00 N ATOM 565 CA PRO A 71 20.482 1.047 -11.970 1.00 0.00 C ATOM 566 C PRO A 71 19.432 0.268 -11.173 1.00 0.00 C ATOM 567 O PRO A 71 18.804 -0.646 -11.699 1.00 0.00 O ATOM 568 CB PRO A 71 19.816 1.989 -12.977 1.00 0.00 C ATOM 569 CG PRO A 71 20.085 1.410 -14.369 1.00 0.00 C ATOM 570 CD PRO A 71 21.117 0.297 -14.189 1.00 0.00 C ATOM 0 HA PRO A 71 21.073 1.594 -11.235 1.00 0.00 H new ATOM 0 HB2 PRO A 71 18.745 2.061 -12.789 1.00 0.00 H new ATOM 0 HB3 PRO A 71 20.223 2.996 -12.892 1.00 0.00 H new ATOM 0 HG2 PRO A 71 19.168 1.020 -14.810 1.00 0.00 H new ATOM 0 HG3 PRO A 71 20.460 2.180 -15.043 1.00 0.00 H new ATOM 0 HD2 PRO A 71 20.763 -0.637 -14.626 1.00 0.00 H new ATOM 0 HD3 PRO A 71 22.052 0.548 -14.689 1.00 0.00 H new ATOM 578 N ASN A 72 19.245 0.657 -9.900 1.00 0.00 N ATOM 579 CA ASN A 72 18.250 0.051 -9.008 1.00 0.00 C ATOM 580 C ASN A 72 18.526 -1.438 -8.777 1.00 0.00 C ATOM 581 O ASN A 72 17.621 -2.174 -8.378 1.00 0.00 O ATOM 582 CB ASN A 72 16.842 0.247 -9.584 1.00 0.00 C ATOM 583 CG ASN A 72 16.582 1.710 -9.924 1.00 0.00 C ATOM 584 OD1 ASN A 72 16.463 2.545 -9.032 1.00 0.00 O ATOM 585 ND2 ASN A 72 16.495 2.020 -11.218 1.00 0.00 N ATOM 0 H ASN A 72 19.784 1.404 -9.462 1.00 0.00 H new ATOM 0 HA ASN A 72 18.319 0.551 -8.042 1.00 0.00 H new ATOM 0 HB2 ASN A 72 16.725 -0.363 -10.480 1.00 0.00 H new ATOM 0 HB3 ASN A 72 16.101 -0.099 -8.864 1.00 0.00 H new ATOM 0 HD21 ASN A 72 16.323 2.985 -11.501 1.00 0.00 H new ATOM 0 HD22 ASN A 72 16.601 1.292 -11.925 1.00 0.00 H new ATOM 592 N ARG A 73 19.766 -1.879 -9.018 1.00 0.00 N ATOM 593 CA ARG A 73 20.149 -3.272 -8.823 1.00 0.00 C ATOM 594 C ARG A 73 21.321 -3.336 -7.855 1.00 0.00 C ATOM 595 O ARG A 73 22.478 -3.367 -8.265 1.00 0.00 O ATOM 596 CB ARG A 73 20.504 -3.899 -10.172 1.00 0.00 C ATOM 597 CG ARG A 73 19.245 -3.991 -11.043 1.00 0.00 C ATOM 598 CD ARG A 73 18.309 -5.085 -10.506 1.00 0.00 C ATOM 599 NE ARG A 73 17.016 -4.526 -10.088 1.00 0.00 N ATOM 600 CZ ARG A 73 16.124 -3.991 -10.941 1.00 0.00 C ATOM 601 NH1 ARG A 73 16.331 -4.041 -12.262 1.00 0.00 N ATOM 602 NH2 ARG A 73 15.021 -3.402 -10.463 1.00 0.00 N ATOM 0 H ARG A 73 20.523 -1.282 -9.351 1.00 0.00 H new ATOM 0 HA ARG A 73 19.319 -3.837 -8.397 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.263 -3.300 -10.675 1.00 0.00 H new ATOM 0 HB3 ARG A 73 20.929 -4.892 -10.023 1.00 0.00 H new ATOM 0 HG2 ARG A 73 18.728 -3.031 -11.051 1.00 0.00 H new ATOM 0 HG3 ARG A 73 19.522 -4.212 -12.074 1.00 0.00 H new ATOM 0 HD2 ARG A 73 18.149 -5.840 -11.276 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.780 -5.587 -9.661 1.00 0.00 H new ATOM 0 HE ARG A 73 16.782 -4.545 -9.095 1.00 0.00 H new ATOM 0 HH11 ARG A 73 17.171 -4.488 -12.630 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.649 -3.633 -12.901 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.860 -3.361 -9.457 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.341 -2.995 -11.105 1.00 0.00 H new ATOM 616 N THR A 74 20.997 -3.352 -6.563 1.00 0.00 N ATOM 617 CA THR A 74 21.981 -3.404 -5.494 1.00 0.00 C ATOM 618 C THR A 74 22.862 -4.650 -5.635 1.00 0.00 C ATOM 619 O THR A 74 22.514 -5.586 -6.355 1.00 0.00 O ATOM 620 CB THR A 74 21.231 -3.420 -4.150 1.00 0.00 C ATOM 621 OG1 THR A 74 20.002 -2.732 -4.285 1.00 0.00 O ATOM 622 CG2 THR A 74 22.070 -2.744 -3.064 1.00 0.00 C ATOM 0 H THR A 74 20.033 -3.329 -6.230 1.00 0.00 H new ATOM 0 HA THR A 74 22.633 -2.532 -5.545 1.00 0.00 H new ATOM 0 HB THR A 74 21.047 -4.456 -3.865 1.00 0.00 H new ATOM 0 HG1 THR A 74 19.525 -2.744 -3.429 1.00 0.00 H new ATOM 0 HG21 THR A 74 21.526 -2.763 -2.119 1.00 0.00 H new ATOM 0 HG22 THR A 74 23.014 -3.276 -2.950 1.00 0.00 H new ATOM 0 HG23 THR A 74 22.268 -1.710 -3.348 1.00 0.00 H new ATOM 630 N ASP A 75 24.003 -4.660 -4.934 1.00 0.00 N ATOM 631 CA ASP A 75 24.917 -5.795 -4.952 1.00 0.00 C ATOM 632 C ASP A 75 24.169 -7.070 -4.563 1.00 0.00 C ATOM 633 O ASP A 75 24.420 -8.131 -5.129 1.00 0.00 O ATOM 634 CB ASP A 75 26.086 -5.528 -3.993 1.00 0.00 C ATOM 635 CG ASP A 75 25.602 -4.941 -2.671 1.00 0.00 C ATOM 636 OD1 ASP A 75 25.408 -3.704 -2.638 1.00 0.00 O ATOM 637 OD2 ASP A 75 25.434 -5.733 -1.723 1.00 0.00 O ATOM 0 H ASP A 75 24.311 -3.886 -4.345 1.00 0.00 H new ATOM 0 HA ASP A 75 25.317 -5.929 -5.957 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.623 -6.458 -3.805 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.792 -4.841 -4.460 1.00 0.00 H new ATOM 642 N VAL A 76 23.243 -6.960 -3.603 1.00 0.00 N ATOM 643 CA VAL A 76 22.445 -8.093 -3.164 1.00 0.00 C ATOM 644 C VAL A 76 21.616 -8.622 -4.338 1.00 0.00 C ATOM 645 O VAL A 76 21.576 -9.828 -4.574 1.00 0.00 O ATOM 646 CB VAL A 76 21.536 -7.663 -2.002 1.00 0.00 C ATOM 647 CG1 VAL A 76 20.701 -8.857 -1.529 1.00 0.00 C ATOM 648 CG2 VAL A 76 22.389 -7.150 -0.837 1.00 0.00 C ATOM 0 H VAL A 76 23.033 -6.088 -3.117 1.00 0.00 H new ATOM 0 HA VAL A 76 23.099 -8.892 -2.814 1.00 0.00 H new ATOM 0 HB VAL A 76 20.874 -6.868 -2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.058 -8.548 -0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 76 20.086 -9.220 -2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.364 -9.654 -1.192 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.739 -6.847 -0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 76 23.056 -7.943 -0.498 1.00 0.00 H new ATOM 0 HG23 VAL A 76 22.980 -6.295 -1.167 1.00 0.00 H new ATOM 658 N GLN A 77 20.954 -7.713 -5.072 1.00 0.00 N ATOM 659 CA GLN A 77 20.123 -8.090 -6.210 1.00 0.00 C ATOM 660 C GLN A 77 20.974 -8.774 -7.278 1.00 0.00 C ATOM 661 O GLN A 77 20.593 -9.819 -7.795 1.00 0.00 O ATOM 662 CB GLN A 77 19.442 -6.846 -6.798 1.00 0.00 C ATOM 663 CG GLN A 77 18.419 -6.279 -5.810 1.00 0.00 C ATOM 664 CD GLN A 77 17.657 -5.111 -6.435 1.00 0.00 C ATOM 665 OE1 GLN A 77 16.865 -5.307 -7.355 1.00 0.00 O ATOM 666 NE2 GLN A 77 17.897 -3.896 -5.941 1.00 0.00 N ATOM 0 H GLN A 77 20.983 -6.710 -4.891 1.00 0.00 H new ATOM 0 HA GLN A 77 19.356 -8.787 -5.871 1.00 0.00 H new ATOM 0 HB2 GLN A 77 20.191 -6.089 -7.030 1.00 0.00 H new ATOM 0 HB3 GLN A 77 18.948 -7.103 -7.735 1.00 0.00 H new ATOM 0 HG2 GLN A 77 17.719 -7.060 -5.515 1.00 0.00 H new ATOM 0 HG3 GLN A 77 18.926 -5.946 -4.904 1.00 0.00 H new ATOM 0 HE21 GLN A 77 18.562 -3.778 -5.177 1.00 0.00 H new ATOM 0 HE22 GLN A 77 17.415 -3.084 -6.327 1.00 0.00 H new ATOM 675 N CYS A 78 22.124 -8.175 -7.610 1.00 0.00 N ATOM 676 CA CYS A 78 23.015 -8.714 -8.631 1.00 0.00 C ATOM 677 C CYS A 78 23.489 -10.113 -8.237 1.00 0.00 C ATOM 678 O CYS A 78 23.375 -11.054 -9.024 1.00 0.00 O ATOM 679 CB CYS A 78 24.214 -7.778 -8.810 1.00 0.00 C ATOM 680 SG CYS A 78 23.652 -6.222 -9.544 1.00 0.00 S ATOM 0 H CYS A 78 22.456 -7.312 -7.180 1.00 0.00 H new ATOM 0 HA CYS A 78 22.474 -8.788 -9.575 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.689 -7.589 -7.848 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.963 -8.246 -9.449 1.00 0.00 H new ATOM 0 HG CYS A 78 23.263 -5.414 -8.603 1.00 0.00 H new ATOM 686 N GLN A 79 24.025 -10.244 -7.018 1.00 0.00 N ATOM 687 CA GLN A 79 24.534 -11.513 -6.527 1.00 0.00 C ATOM 688 C GLN A 79 23.439 -12.573 -6.563 1.00 0.00 C ATOM 689 O GLN A 79 23.633 -13.639 -7.142 1.00 0.00 O ATOM 690 CB GLN A 79 25.069 -11.331 -5.104 1.00 0.00 C ATOM 691 CG GLN A 79 25.651 -12.657 -4.603 1.00 0.00 C ATOM 692 CD GLN A 79 26.435 -12.471 -3.308 1.00 0.00 C ATOM 693 OE1 GLN A 79 26.502 -11.372 -2.766 1.00 0.00 O ATOM 694 NE2 GLN A 79 27.031 -13.555 -2.813 1.00 0.00 N ATOM 0 H GLN A 79 24.114 -9.474 -6.354 1.00 0.00 H new ATOM 0 HA GLN A 79 25.348 -11.849 -7.169 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.836 -10.556 -5.089 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.268 -11.000 -4.443 1.00 0.00 H new ATOM 0 HG2 GLN A 79 24.844 -13.371 -4.441 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.303 -13.081 -5.367 1.00 0.00 H new ATOM 0 HE21 GLN A 79 26.948 -14.449 -3.298 1.00 0.00 H new ATOM 0 HE22 GLN A 79 27.570 -13.491 -1.949 1.00 0.00 H new ATOM 703 N HIS A 80 22.290 -12.280 -5.942 1.00 0.00 N ATOM 704 CA HIS A 80 21.176 -13.214 -5.897 1.00 0.00 C ATOM 705 C HIS A 80 20.774 -13.622 -7.305 1.00 0.00 C ATOM 706 O HIS A 80 20.711 -14.806 -7.609 1.00 0.00 O ATOM 707 CB HIS A 80 19.988 -12.571 -5.179 1.00 0.00 C ATOM 708 CG HIS A 80 20.124 -12.589 -3.681 1.00 0.00 C ATOM 709 ND1 HIS A 80 19.194 -11.989 -2.843 1.00 0.00 N ATOM 710 CD2 HIS A 80 21.059 -13.135 -2.836 1.00 0.00 C ATOM 711 CE1 HIS A 80 19.612 -12.204 -1.582 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.748 -12.899 -1.507 1.00 0.00 N ATOM 0 H HIS A 80 22.114 -11.396 -5.463 1.00 0.00 H new ATOM 0 HA HIS A 80 21.485 -14.105 -5.350 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.882 -11.540 -5.516 1.00 0.00 H new ATOM 0 HB3 HIS A 80 19.074 -13.094 -5.461 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.930 -13.681 -3.167 1.00 0.00 H new ATOM 0 HE1 HIS A 80 19.078 -11.848 -0.713 1.00 0.00 H new ATOM 0 HE2 HIS A 80 21.262 -13.186 -0.674 1.00 0.00 H new ATOM 720 N ARG A 81 20.492 -12.640 -8.163 1.00 0.00 N ATOM 721 CA ARG A 81 20.059 -12.914 -9.519 1.00 0.00 C ATOM 722 C ARG A 81 21.008 -13.899 -10.192 1.00 0.00 C ATOM 723 O ARG A 81 20.559 -14.860 -10.802 1.00 0.00 O ATOM 724 CB ARG A 81 19.978 -11.607 -10.316 1.00 0.00 C ATOM 725 CG ARG A 81 19.556 -11.893 -11.769 1.00 0.00 C ATOM 726 CD ARG A 81 18.205 -12.620 -11.796 1.00 0.00 C ATOM 727 NE ARG A 81 17.648 -12.645 -13.153 1.00 0.00 N ATOM 728 CZ ARG A 81 16.517 -13.297 -13.468 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.852 -13.984 -12.528 1.00 0.00 N ATOM 730 NH2 ARG A 81 16.050 -13.262 -14.722 1.00 0.00 N ATOM 0 H ARG A 81 20.558 -11.648 -7.935 1.00 0.00 H new ATOM 0 HA ARG A 81 19.067 -13.366 -9.489 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.262 -10.932 -9.848 1.00 0.00 H new ATOM 0 HB3 ARG A 81 20.945 -11.105 -10.303 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.485 -10.958 -12.325 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.314 -12.501 -12.262 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.329 -13.640 -11.431 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.507 -12.123 -11.122 1.00 0.00 H new ATOM 0 HE ARG A 81 18.143 -12.144 -13.891 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.205 -14.012 -11.571 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.993 -14.478 -12.769 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.553 -12.740 -15.439 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.191 -13.758 -14.960 1.00 0.00 H new ATOM 744 N TRP A 82 22.317 -13.666 -10.093 1.00 0.00 N ATOM 745 CA TRP A 82 23.274 -14.536 -10.742 1.00 0.00 C ATOM 746 C TRP A 82 23.424 -15.862 -9.986 1.00 0.00 C ATOM 747 O TRP A 82 22.977 -16.897 -10.463 1.00 0.00 O ATOM 748 CB TRP A 82 24.629 -13.839 -10.880 1.00 0.00 C ATOM 749 CG TRP A 82 25.620 -14.650 -11.653 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.658 -15.328 -11.137 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.652 -14.926 -13.086 1.00 0.00 C ATOM 752 NE1 TRP A 82 27.334 -16.013 -12.118 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.749 -15.804 -13.353 1.00 0.00 C ATOM 754 CE3 TRP A 82 24.862 -14.537 -14.193 1.00 0.00 C ATOM 755 CZ2 TRP A 82 27.035 -16.275 -14.638 1.00 0.00 C ATOM 756 CZ3 TRP A 82 25.150 -15.011 -15.490 1.00 0.00 C ATOM 757 CH2 TRP A 82 26.229 -15.885 -15.706 1.00 0.00 C ATOM 0 H TRP A 82 22.727 -12.889 -9.574 1.00 0.00 H new ATOM 0 HA TRP A 82 22.897 -14.761 -11.739 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.489 -12.877 -11.373 1.00 0.00 H new ATOM 0 HB3 TRP A 82 25.030 -13.633 -9.887 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.926 -15.334 -10.091 1.00 0.00 H new ATOM 0 HE1 TRP A 82 28.155 -16.596 -11.957 1.00 0.00 H new ATOM 0 HE3 TRP A 82 24.027 -13.868 -14.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 27.874 -16.936 -14.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 24.537 -14.700 -16.323 1.00 0.00 H new ATOM 0 HH2 TRP A 82 26.434 -16.255 -16.700 1.00 0.00 H new ATOM 768 N GLN A 83 24.077 -15.824 -8.822 1.00 0.00 N ATOM 769 CA GLN A 83 24.404 -17.026 -8.057 1.00 0.00 C ATOM 770 C GLN A 83 23.174 -17.887 -7.746 1.00 0.00 C ATOM 771 O GLN A 83 23.283 -19.111 -7.715 1.00 0.00 O ATOM 772 CB GLN A 83 25.097 -16.617 -6.750 1.00 0.00 C ATOM 773 CG GLN A 83 26.428 -15.920 -7.056 1.00 0.00 C ATOM 774 CD GLN A 83 27.219 -15.656 -5.777 1.00 0.00 C ATOM 775 OE1 GLN A 83 26.676 -15.725 -4.677 1.00 0.00 O ATOM 776 NE2 GLN A 83 28.508 -15.350 -5.922 1.00 0.00 N ATOM 0 H GLN A 83 24.393 -14.958 -8.385 1.00 0.00 H new ATOM 0 HA GLN A 83 25.068 -17.635 -8.671 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.451 -15.950 -6.180 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.272 -17.497 -6.131 1.00 0.00 H new ATOM 0 HG2 GLN A 83 27.019 -16.539 -7.731 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.239 -14.978 -7.571 1.00 0.00 H new ATOM 0 HE21 GLN A 83 28.919 -15.303 -6.854 1.00 0.00 H new ATOM 0 HE22 GLN A 83 29.083 -15.162 -5.101 1.00 0.00 H new ATOM 785 N LYS A 84 22.018 -17.265 -7.492 1.00 0.00 N ATOM 786 CA LYS A 84 20.826 -18.006 -7.090 1.00 0.00 C ATOM 787 C LYS A 84 19.969 -18.437 -8.291 1.00 0.00 C ATOM 788 O LYS A 84 18.988 -19.154 -8.093 1.00 0.00 O ATOM 789 CB LYS A 84 20.003 -17.140 -6.122 1.00 0.00 C ATOM 790 CG LYS A 84 19.281 -18.024 -5.098 1.00 0.00 C ATOM 791 CD LYS A 84 20.247 -18.415 -3.970 1.00 0.00 C ATOM 792 CE LYS A 84 19.525 -19.299 -2.947 1.00 0.00 C ATOM 793 NZ LYS A 84 19.152 -20.602 -3.530 1.00 0.00 N ATOM 0 H LYS A 84 21.886 -16.256 -7.558 1.00 0.00 H new ATOM 0 HA LYS A 84 21.146 -18.923 -6.595 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.657 -16.436 -5.608 1.00 0.00 H new ATOM 0 HB3 LYS A 84 19.276 -16.550 -6.680 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.424 -17.492 -4.686 1.00 0.00 H new ATOM 0 HG3 LYS A 84 18.896 -18.920 -5.585 1.00 0.00 H new ATOM 0 HD2 LYS A 84 21.105 -18.947 -4.382 1.00 0.00 H new ATOM 0 HD3 LYS A 84 20.632 -17.519 -3.482 1.00 0.00 H new ATOM 0 HE2 LYS A 84 20.169 -19.457 -2.082 1.00 0.00 H new ATOM 0 HE3 LYS A 84 18.630 -18.789 -2.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 18.885 -21.259 -2.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 18.347 -20.476 -4.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 19.960 -20.991 -4.056 1.00 0.00 H new ATOM 807 N VAL A 85 20.311 -18.015 -9.526 1.00 0.00 N ATOM 808 CA VAL A 85 19.510 -18.382 -10.699 1.00 0.00 C ATOM 809 C VAL A 85 20.409 -18.789 -11.875 1.00 0.00 C ATOM 810 O VAL A 85 20.399 -19.951 -12.280 1.00 0.00 O ATOM 811 CB VAL A 85 18.573 -17.220 -11.092 1.00 0.00 C ATOM 812 CG1 VAL A 85 17.456 -17.751 -11.994 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.949 -16.582 -9.840 1.00 0.00 C ATOM 0 H VAL A 85 21.122 -17.431 -9.729 1.00 0.00 H new ATOM 0 HA VAL A 85 18.896 -19.245 -10.440 1.00 0.00 H new ATOM 0 HB VAL A 85 19.155 -16.465 -11.621 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.793 -16.932 -12.273 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.891 -18.188 -12.893 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.887 -18.512 -11.459 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.292 -15.765 -10.137 1.00 0.00 H new ATOM 0 HG22 VAL A 85 17.373 -17.332 -9.298 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.739 -16.196 -9.196 1.00 0.00 H new ATOM 823 N LEU A 86 21.176 -17.841 -12.435 1.00 0.00 N ATOM 824 CA LEU A 86 22.035 -18.127 -13.584 1.00 0.00 C ATOM 825 C LEU A 86 23.140 -19.104 -13.183 1.00 0.00 C ATOM 826 O LEU A 86 23.722 -18.984 -12.108 1.00 0.00 O ATOM 827 CB LEU A 86 22.672 -16.831 -14.118 1.00 0.00 C ATOM 828 CG LEU A 86 21.695 -15.990 -14.972 1.00 0.00 C ATOM 829 CD1 LEU A 86 21.029 -16.850 -16.050 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.627 -15.341 -14.091 1.00 0.00 C ATOM 0 H LEU A 86 21.216 -16.875 -12.109 1.00 0.00 H new ATOM 0 HA LEU A 86 21.421 -18.572 -14.367 1.00 0.00 H new ATOM 0 HB2 LEU A 86 23.022 -16.231 -13.278 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.547 -17.082 -14.717 1.00 0.00 H new ATOM 0 HG LEU A 86 22.273 -15.206 -15.461 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.347 -16.235 -16.636 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.793 -17.269 -16.704 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.472 -17.659 -15.577 1.00 0.00 H new ATOM 0 HD21 LEU A 86 19.950 -14.754 -14.712 1.00 0.00 H new ATOM 0 HD22 LEU A 86 20.063 -16.116 -13.572 1.00 0.00 H new ATOM 0 HD23 LEU A 86 21.105 -14.689 -13.360 1.00 0.00 H new