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 74 THR OG1 : rot -150:sc= 0.803 USER MOD Set 1.2: A 77 GLN : amide:sc= 0.655 K(o=0.95,f=-0.55) USER MOD Set 1.3: A 80 HIS : no HE2:sc= -0.51 X(o=0.95,f=1.2) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -177:sc= 1.22 (180deg=1.1) USER MOD Single : A 52 LYS NZ :NH3+ 157:sc= 0.739 (180deg=-0.449!) USER MOD Single : A 53 LYS NZ :NH3+ -174:sc= 2.29 (180deg=2.13) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 58 ASN : amide:sc= -0.191 K(o=-0.19,f=-4.5!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.227 X(o=-0.23,f=-0.092) USER MOD Single : A 78 CYS SG : rot 72:sc= 0.438 USER MOD Single : A 79 GLN : amide:sc= -0.0789 X(o=-0.079,f=0) USER MOD Single : A 83 GLN : amide:sc= 0.315 K(o=0.31,f=-3.3!) USER MOD Single : A 84 LYS NZ :NH3+ -167:sc= 0.875 (180deg=0.455) USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 13.755 -8.148 -13.586 1.00 0.00 N ATOM 90 CA TRP A 43 14.898 -8.721 -14.288 1.00 0.00 C ATOM 91 C TRP A 43 14.525 -9.120 -15.711 1.00 0.00 C ATOM 92 O TRP A 43 14.119 -10.254 -15.966 1.00 0.00 O ATOM 93 CB TRP A 43 15.472 -9.902 -13.500 1.00 0.00 C ATOM 94 CG TRP A 43 16.346 -9.476 -12.377 1.00 0.00 C ATOM 95 CD1 TRP A 43 16.023 -9.472 -11.076 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.692 -8.944 -12.448 1.00 0.00 C ATOM 97 NE1 TRP A 43 17.054 -8.973 -10.319 1.00 0.00 N ATOM 98 CE2 TRP A 43 18.127 -8.623 -11.127 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.592 -8.692 -13.503 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.389 -8.074 -10.873 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.859 -8.136 -13.257 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.255 -7.822 -11.949 1.00 0.00 C ATOM 0 HA TRP A 43 15.675 -7.960 -14.362 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.652 -10.504 -13.108 1.00 0.00 H new ATOM 0 HB3 TRP A 43 16.042 -10.541 -14.175 1.00 0.00 H new ATOM 0 HD1 TRP A 43 15.080 -9.815 -10.677 1.00 0.00 H new ATOM 0 HE1 TRP A 43 17.034 -8.873 -9.304 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.303 -8.930 -14.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.693 -7.847 -9.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.532 -7.949 -14.081 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.227 -7.386 -11.769 1.00 0.00 H new ATOM 113 N THR A 44 14.683 -8.173 -16.637 1.00 0.00 N ATOM 114 CA THR A 44 14.415 -8.405 -18.042 1.00 0.00 C ATOM 115 C THR A 44 15.585 -9.182 -18.650 1.00 0.00 C ATOM 116 O THR A 44 16.700 -9.134 -18.128 1.00 0.00 O ATOM 117 CB THR A 44 14.228 -7.050 -18.742 1.00 0.00 C ATOM 118 OG1 THR A 44 13.386 -6.230 -17.959 1.00 0.00 O ATOM 119 CG2 THR A 44 13.593 -7.249 -20.122 1.00 0.00 C ATOM 0 H THR A 44 15.000 -7.227 -16.426 1.00 0.00 H new ATOM 0 HA THR A 44 13.506 -8.992 -18.170 1.00 0.00 H new ATOM 0 HB THR A 44 15.203 -6.577 -18.862 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.267 -5.365 -18.403 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.466 -6.281 -20.607 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.240 -7.879 -20.733 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.621 -7.729 -20.009 1.00 0.00 H new ATOM 127 N ARG A 45 15.329 -9.895 -19.753 1.00 0.00 N ATOM 128 CA ARG A 45 16.355 -10.676 -20.432 1.00 0.00 C ATOM 129 C ARG A 45 17.586 -9.807 -20.716 1.00 0.00 C ATOM 130 O ARG A 45 18.716 -10.270 -20.587 1.00 0.00 O ATOM 131 CB ARG A 45 15.775 -11.233 -21.738 1.00 0.00 C ATOM 132 CG ARG A 45 16.717 -12.297 -22.322 1.00 0.00 C ATOM 133 CD ARG A 45 16.816 -12.128 -23.842 1.00 0.00 C ATOM 134 NE ARG A 45 17.510 -10.878 -24.195 1.00 0.00 N ATOM 135 CZ ARG A 45 18.848 -10.731 -24.134 1.00 0.00 C ATOM 136 NH1 ARG A 45 19.625 -11.750 -23.744 1.00 0.00 N ATOM 137 NH2 ARG A 45 19.403 -9.558 -24.466 1.00 0.00 N ATOM 0 H ARG A 45 14.410 -9.943 -20.193 1.00 0.00 H new ATOM 0 HA ARG A 45 16.667 -11.503 -19.794 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.793 -11.668 -21.553 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.636 -10.426 -22.457 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.706 -12.206 -21.872 1.00 0.00 H new ATOM 0 HG3 ARG A 45 16.348 -13.294 -22.081 1.00 0.00 H new ATOM 0 HD2 ARG A 45 17.349 -12.977 -24.271 1.00 0.00 H new ATOM 0 HD3 ARG A 45 15.816 -12.127 -24.276 1.00 0.00 H new ATOM 0 HE ARG A 45 16.949 -10.083 -24.501 1.00 0.00 H new ATOM 0 HH11 ARG A 45 19.204 -12.644 -23.491 1.00 0.00 H new ATOM 0 HH12 ARG A 45 20.637 -11.632 -23.700 1.00 0.00 H new ATOM 0 HH21 ARG A 45 18.813 -8.781 -24.763 1.00 0.00 H new ATOM 0 HH22 ARG A 45 20.415 -9.442 -24.421 1.00 0.00 H new ATOM 151 N GLU A 46 17.362 -8.545 -21.105 1.00 0.00 N ATOM 152 CA GLU A 46 18.449 -7.629 -21.408 1.00 0.00 C ATOM 153 C GLU A 46 19.299 -7.381 -20.159 1.00 0.00 C ATOM 154 O GLU A 46 20.526 -7.387 -20.238 1.00 0.00 O ATOM 155 CB GLU A 46 17.876 -6.315 -21.942 1.00 0.00 C ATOM 156 CG GLU A 46 19.005 -5.472 -22.540 1.00 0.00 C ATOM 157 CD GLU A 46 18.511 -4.081 -22.908 1.00 0.00 C ATOM 158 OE1 GLU A 46 17.480 -4.011 -23.607 1.00 0.00 O ATOM 159 OE2 GLU A 46 19.179 -3.114 -22.480 1.00 0.00 O ATOM 0 H GLU A 46 16.431 -8.142 -21.215 1.00 0.00 H new ATOM 0 HA GLU A 46 19.090 -8.071 -22.171 1.00 0.00 H new ATOM 0 HB2 GLU A 46 17.118 -6.517 -22.699 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.385 -5.767 -21.138 1.00 0.00 H new ATOM 0 HG2 GLU A 46 19.823 -5.394 -21.824 1.00 0.00 H new ATOM 0 HG3 GLU A 46 19.403 -5.967 -23.426 1.00 0.00 H new ATOM 166 N GLU A 47 18.650 -7.162 -19.007 1.00 0.00 N ATOM 167 CA GLU A 47 19.363 -6.912 -17.762 1.00 0.00 C ATOM 168 C GLU A 47 20.213 -8.132 -17.416 1.00 0.00 C ATOM 169 O GLU A 47 21.369 -7.990 -17.029 1.00 0.00 O ATOM 170 CB GLU A 47 18.368 -6.607 -16.634 1.00 0.00 C ATOM 171 CG GLU A 47 18.622 -5.203 -16.083 1.00 0.00 C ATOM 172 CD GLU A 47 17.547 -4.802 -15.079 1.00 0.00 C ATOM 173 OE1 GLU A 47 16.781 -5.703 -14.660 1.00 0.00 O ATOM 174 OE2 GLU A 47 17.506 -3.601 -14.745 1.00 0.00 O ATOM 0 H GLU A 47 17.634 -7.154 -18.919 1.00 0.00 H new ATOM 0 HA GLU A 47 20.015 -6.046 -17.882 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.347 -6.681 -17.008 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.470 -7.344 -15.837 1.00 0.00 H new ATOM 0 HG2 GLU A 47 19.601 -5.169 -15.605 1.00 0.00 H new ATOM 0 HG3 GLU A 47 18.643 -4.486 -16.903 1.00 0.00 H new ATOM 181 N ASP A 48 19.636 -9.333 -17.567 1.00 0.00 N ATOM 182 CA ASP A 48 20.356 -10.572 -17.302 1.00 0.00 C ATOM 183 C ASP A 48 21.560 -10.673 -18.239 1.00 0.00 C ATOM 184 O ASP A 48 22.636 -11.102 -17.825 1.00 0.00 O ATOM 185 CB ASP A 48 19.415 -11.770 -17.495 1.00 0.00 C ATOM 186 CG ASP A 48 18.343 -11.819 -16.410 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.684 -11.490 -15.255 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.200 -12.193 -16.752 1.00 0.00 O ATOM 0 H ASP A 48 18.672 -9.465 -17.872 1.00 0.00 H new ATOM 0 HA ASP A 48 20.713 -10.576 -16.272 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.941 -11.707 -18.474 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.993 -12.694 -17.479 1.00 0.00 H new ATOM 193 N GLU A 49 21.377 -10.270 -19.504 1.00 0.00 N ATOM 194 CA GLU A 49 22.449 -10.292 -20.488 1.00 0.00 C ATOM 195 C GLU A 49 23.579 -9.367 -20.029 1.00 0.00 C ATOM 196 O GLU A 49 24.738 -9.759 -20.020 1.00 0.00 O ATOM 197 CB GLU A 49 21.893 -9.857 -21.854 1.00 0.00 C ATOM 198 CG GLU A 49 22.731 -10.462 -22.990 1.00 0.00 C ATOM 199 CD GLU A 49 24.131 -9.858 -23.038 1.00 0.00 C ATOM 200 OE1 GLU A 49 24.214 -8.611 -22.994 1.00 0.00 O ATOM 201 OE2 GLU A 49 25.090 -10.656 -23.119 1.00 0.00 O ATOM 0 H GLU A 49 20.488 -9.924 -19.864 1.00 0.00 H new ATOM 0 HA GLU A 49 22.851 -11.300 -20.586 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.855 -10.176 -21.950 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.900 -8.769 -21.927 1.00 0.00 H new ATOM 0 HG2 GLU A 49 22.804 -11.541 -22.854 1.00 0.00 H new ATOM 0 HG3 GLU A 49 22.229 -10.294 -23.943 1.00 0.00 H new ATOM 208 N LYS A 50 23.236 -8.137 -19.642 1.00 0.00 N ATOM 209 CA LYS A 50 24.225 -7.176 -19.180 1.00 0.00 C ATOM 210 C LYS A 50 24.927 -7.705 -17.926 1.00 0.00 C ATOM 211 O LYS A 50 26.141 -7.564 -17.789 1.00 0.00 O ATOM 212 CB LYS A 50 23.541 -5.836 -18.894 1.00 0.00 C ATOM 213 CG LYS A 50 23.212 -5.130 -20.214 1.00 0.00 C ATOM 214 CD LYS A 50 22.498 -3.804 -19.924 1.00 0.00 C ATOM 215 CE LYS A 50 22.579 -2.884 -21.148 1.00 0.00 C ATOM 216 NZ LYS A 50 21.841 -3.446 -22.294 1.00 0.00 N ATOM 0 H LYS A 50 22.278 -7.788 -19.641 1.00 0.00 H new ATOM 0 HA LYS A 50 24.977 -7.028 -19.955 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.629 -5.998 -18.320 1.00 0.00 H new ATOM 0 HB3 LYS A 50 24.192 -5.207 -18.287 1.00 0.00 H new ATOM 0 HG2 LYS A 50 24.127 -4.946 -20.778 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.580 -5.768 -20.831 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.455 -3.992 -19.669 1.00 0.00 H new ATOM 0 HD3 LYS A 50 22.954 -3.317 -19.062 1.00 0.00 H new ATOM 0 HE2 LYS A 50 22.172 -1.905 -20.896 1.00 0.00 H new ATOM 0 HE3 LYS A 50 23.623 -2.734 -21.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.958 -2.825 -23.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 22.213 -4.392 -22.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.831 -3.518 -22.055 1.00 0.00 H new ATOM 230 N LEU A 51 24.162 -8.309 -17.009 1.00 0.00 N ATOM 231 CA LEU A 51 24.708 -8.827 -15.766 1.00 0.00 C ATOM 232 C LEU A 51 25.729 -9.928 -16.052 1.00 0.00 C ATOM 233 O LEU A 51 26.876 -9.830 -15.623 1.00 0.00 O ATOM 234 CB LEU A 51 23.561 -9.353 -14.891 1.00 0.00 C ATOM 235 CG LEU A 51 24.088 -9.787 -13.512 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.446 -8.556 -12.673 1.00 0.00 C ATOM 237 CD2 LEU A 51 23.007 -10.591 -12.789 1.00 0.00 C ATOM 0 H LEU A 51 23.157 -8.448 -17.113 1.00 0.00 H new ATOM 0 HA LEU A 51 25.222 -8.028 -15.231 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.804 -8.578 -14.770 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.078 -10.197 -15.384 1.00 0.00 H new ATOM 0 HG LEU A 51 24.980 -10.399 -13.648 1.00 0.00 H new ATOM 0 HD11 LEU A 51 24.818 -8.875 -11.699 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.216 -7.979 -13.184 1.00 0.00 H new ATOM 0 HD13 LEU A 51 23.559 -7.937 -12.538 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.376 -10.900 -11.811 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.118 -9.973 -12.662 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.755 -11.473 -13.377 1.00 0.00 H new ATOM 249 N LYS A 52 25.318 -10.980 -16.772 1.00 0.00 N ATOM 250 CA LYS A 52 26.212 -12.090 -17.068 1.00 0.00 C ATOM 251 C LYS A 52 27.407 -11.600 -17.897 1.00 0.00 C ATOM 252 O LYS A 52 28.512 -12.109 -17.738 1.00 0.00 O ATOM 253 CB LYS A 52 25.432 -13.236 -17.756 1.00 0.00 C ATOM 254 CG LYS A 52 25.204 -12.962 -19.243 1.00 0.00 C ATOM 255 CD LYS A 52 26.314 -13.615 -20.074 1.00 0.00 C ATOM 256 CE LYS A 52 26.305 -13.027 -21.486 1.00 0.00 C ATOM 257 NZ LYS A 52 27.401 -13.582 -22.298 1.00 0.00 N ATOM 0 H LYS A 52 24.378 -11.079 -17.155 1.00 0.00 H new ATOM 0 HA LYS A 52 26.615 -12.495 -16.140 1.00 0.00 H new ATOM 0 HB2 LYS A 52 25.982 -14.170 -17.640 1.00 0.00 H new ATOM 0 HB3 LYS A 52 24.470 -13.369 -17.260 1.00 0.00 H new ATOM 0 HG2 LYS A 52 24.233 -13.352 -19.548 1.00 0.00 H new ATOM 0 HG3 LYS A 52 25.187 -11.887 -19.425 1.00 0.00 H new ATOM 0 HD2 LYS A 52 27.283 -13.446 -19.604 1.00 0.00 H new ATOM 0 HD3 LYS A 52 26.165 -14.694 -20.117 1.00 0.00 H new ATOM 0 HE2 LYS A 52 25.349 -13.239 -21.966 1.00 0.00 H new ATOM 0 HE3 LYS A 52 26.401 -11.943 -21.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 27.165 -13.493 -23.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 28.278 -13.060 -22.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 27.535 -14.586 -22.061 1.00 0.00 H new ATOM 271 N LYS A 53 27.191 -10.604 -18.772 1.00 0.00 N ATOM 272 CA LYS A 53 28.263 -10.056 -19.589 1.00 0.00 C ATOM 273 C LYS A 53 29.309 -9.405 -18.685 1.00 0.00 C ATOM 274 O LYS A 53 30.510 -9.559 -18.915 1.00 0.00 O ATOM 275 CB LYS A 53 27.686 -9.040 -20.588 1.00 0.00 C ATOM 276 CG LYS A 53 28.773 -8.569 -21.564 1.00 0.00 C ATOM 277 CD LYS A 53 29.075 -9.672 -22.593 1.00 0.00 C ATOM 278 CE LYS A 53 30.587 -9.905 -22.689 1.00 0.00 C ATOM 279 NZ LYS A 53 31.101 -10.597 -21.491 1.00 0.00 N ATOM 0 H LYS A 53 26.281 -10.169 -18.925 1.00 0.00 H new ATOM 0 HA LYS A 53 28.744 -10.854 -20.155 1.00 0.00 H new ATOM 0 HB2 LYS A 53 26.863 -9.492 -21.142 1.00 0.00 H new ATOM 0 HB3 LYS A 53 27.276 -8.185 -20.050 1.00 0.00 H new ATOM 0 HG2 LYS A 53 28.446 -7.664 -22.075 1.00 0.00 H new ATOM 0 HG3 LYS A 53 29.680 -8.315 -21.015 1.00 0.00 H new ATOM 0 HD2 LYS A 53 28.575 -10.596 -22.304 1.00 0.00 H new ATOM 0 HD3 LYS A 53 28.681 -9.388 -23.569 1.00 0.00 H new ATOM 0 HE2 LYS A 53 30.810 -10.497 -23.577 1.00 0.00 H new ATOM 0 HE3 LYS A 53 31.098 -8.949 -22.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 32.139 -10.650 -21.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 30.820 -10.071 -20.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 30.707 -11.559 -21.450 1.00 0.00 H new ATOM 293 N LEU A 54 28.853 -8.681 -17.654 1.00 0.00 N ATOM 294 CA LEU A 54 29.753 -8.037 -16.713 1.00 0.00 C ATOM 295 C LEU A 54 30.506 -9.102 -15.920 1.00 0.00 C ATOM 296 O LEU A 54 31.724 -9.037 -15.813 1.00 0.00 O ATOM 297 CB LEU A 54 28.958 -7.117 -15.777 1.00 0.00 C ATOM 298 CG LEU A 54 28.590 -5.812 -16.502 1.00 0.00 C ATOM 299 CD1 LEU A 54 27.470 -5.104 -15.736 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.813 -4.889 -16.577 1.00 0.00 C ATOM 0 H LEU A 54 27.863 -8.532 -17.458 1.00 0.00 H new ATOM 0 HA LEU A 54 30.477 -7.428 -17.254 1.00 0.00 H new ATOM 0 HB2 LEU A 54 28.053 -7.623 -15.441 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.547 -6.894 -14.888 1.00 0.00 H new ATOM 0 HG LEU A 54 28.256 -6.048 -17.513 1.00 0.00 H new ATOM 0 HD11 LEU A 54 27.208 -4.178 -16.248 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.595 -5.753 -15.688 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.808 -4.876 -14.725 1.00 0.00 H new ATOM 0 HD21 LEU A 54 29.542 -3.967 -17.092 1.00 0.00 H new ATOM 0 HD22 LEU A 54 30.154 -4.654 -15.569 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.613 -5.389 -17.123 1.00 0.00 H new ATOM 312 N VAL A 55 29.783 -10.087 -15.370 1.00 0.00 N ATOM 313 CA VAL A 55 30.404 -11.161 -14.599 1.00 0.00 C ATOM 314 C VAL A 55 31.499 -11.832 -15.437 1.00 0.00 C ATOM 315 O VAL A 55 32.587 -12.091 -14.935 1.00 0.00 O ATOM 316 CB VAL A 55 29.334 -12.176 -14.166 1.00 0.00 C ATOM 317 CG1 VAL A 55 30.005 -13.406 -13.547 1.00 0.00 C ATOM 318 CG2 VAL A 55 28.408 -11.536 -13.125 1.00 0.00 C ATOM 0 H VAL A 55 28.768 -10.158 -15.447 1.00 0.00 H new ATOM 0 HA VAL A 55 30.865 -10.750 -13.701 1.00 0.00 H new ATOM 0 HB VAL A 55 28.756 -12.476 -15.040 1.00 0.00 H new ATOM 0 HG11 VAL A 55 29.242 -14.122 -13.242 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.664 -13.869 -14.281 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.587 -13.103 -12.677 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.650 -12.258 -12.820 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.992 -11.233 -12.256 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.923 -10.662 -13.558 1.00 0.00 H new ATOM 328 N GLU A 56 31.211 -12.104 -16.716 1.00 0.00 N ATOM 329 CA GLU A 56 32.183 -12.713 -17.617 1.00 0.00 C ATOM 330 C GLU A 56 33.456 -11.862 -17.673 1.00 0.00 C ATOM 331 O GLU A 56 34.556 -12.400 -17.773 1.00 0.00 O ATOM 332 CB GLU A 56 31.570 -12.836 -19.014 1.00 0.00 C ATOM 333 CG GLU A 56 30.655 -14.063 -19.085 1.00 0.00 C ATOM 334 CD GLU A 56 29.819 -14.054 -20.363 1.00 0.00 C ATOM 335 OE1 GLU A 56 29.871 -13.027 -21.085 1.00 0.00 O ATOM 336 OE2 GLU A 56 29.134 -15.069 -20.602 1.00 0.00 O ATOM 0 H GLU A 56 30.307 -11.909 -17.147 1.00 0.00 H new ATOM 0 HA GLU A 56 32.445 -13.705 -17.249 1.00 0.00 H new ATOM 0 HB2 GLU A 56 31.002 -11.936 -19.250 1.00 0.00 H new ATOM 0 HB3 GLU A 56 32.361 -12.919 -19.760 1.00 0.00 H new ATOM 0 HG2 GLU A 56 31.256 -14.971 -19.047 1.00 0.00 H new ATOM 0 HG3 GLU A 56 29.997 -14.080 -18.216 1.00 0.00 H new ATOM 343 N GLN A 57 33.301 -10.531 -17.614 1.00 0.00 N ATOM 344 CA GLN A 57 34.431 -9.616 -17.671 1.00 0.00 C ATOM 345 C GLN A 57 35.215 -9.670 -16.359 1.00 0.00 C ATOM 346 O GLN A 57 36.400 -9.996 -16.357 1.00 0.00 O ATOM 347 CB GLN A 57 33.922 -8.194 -17.942 1.00 0.00 C ATOM 348 CG GLN A 57 35.078 -7.313 -18.426 1.00 0.00 C ATOM 349 CD GLN A 57 34.611 -5.885 -18.690 1.00 0.00 C ATOM 350 OE1 GLN A 57 33.488 -5.520 -18.348 1.00 0.00 O ATOM 351 NE2 GLN A 57 35.476 -5.076 -19.300 1.00 0.00 N ATOM 0 H GLN A 57 32.395 -10.071 -17.526 1.00 0.00 H new ATOM 0 HA GLN A 57 35.100 -9.911 -18.480 1.00 0.00 H new ATOM 0 HB2 GLN A 57 33.132 -8.218 -18.692 1.00 0.00 H new ATOM 0 HB3 GLN A 57 33.488 -7.774 -17.035 1.00 0.00 H new ATOM 0 HG2 GLN A 57 35.871 -7.307 -17.678 1.00 0.00 H new ATOM 0 HG3 GLN A 57 35.502 -7.734 -19.338 1.00 0.00 H new ATOM 0 HE21 GLN A 57 36.398 -5.422 -19.566 1.00 0.00 H new ATOM 0 HE22 GLN A 57 35.216 -4.110 -19.501 1.00 0.00 H new ATOM 360 N ASN A 58 34.547 -9.340 -15.245 1.00 0.00 N ATOM 361 CA ASN A 58 35.178 -9.332 -13.928 1.00 0.00 C ATOM 362 C ASN A 58 35.023 -10.707 -13.273 1.00 0.00 C ATOM 363 O ASN A 58 35.929 -11.533 -13.355 1.00 0.00 O ATOM 364 CB ASN A 58 34.578 -8.213 -13.049 1.00 0.00 C ATOM 365 CG ASN A 58 33.115 -7.936 -13.391 1.00 0.00 C ATOM 366 OD1 ASN A 58 32.219 -8.594 -12.874 1.00 0.00 O ATOM 367 ND2 ASN A 58 32.881 -6.957 -14.270 1.00 0.00 N ATOM 0 H ASN A 58 33.562 -9.074 -15.236 1.00 0.00 H new ATOM 0 HA ASN A 58 36.243 -9.125 -14.038 1.00 0.00 H new ATOM 0 HB2 ASN A 58 34.657 -8.495 -11.999 1.00 0.00 H new ATOM 0 HB3 ASN A 58 35.159 -7.300 -13.178 1.00 0.00 H new ATOM 0 HD21 ASN A 58 31.923 -6.730 -14.537 1.00 0.00 H new ATOM 0 HD22 ASN A 58 33.660 -6.437 -14.674 1.00 0.00 H new ATOM 374 N GLY A 59 33.879 -10.947 -12.620 1.00 0.00 N ATOM 375 CA GLY A 59 33.620 -12.211 -11.947 1.00 0.00 C ATOM 376 C GLY A 59 32.704 -11.982 -10.752 1.00 0.00 C ATOM 377 O GLY A 59 32.200 -10.876 -10.555 1.00 0.00 O ATOM 0 H GLY A 59 33.117 -10.272 -12.548 1.00 0.00 H new ATOM 0 HA2 GLY A 59 33.159 -12.915 -12.640 1.00 0.00 H new ATOM 0 HA3 GLY A 59 34.558 -12.657 -11.617 1.00 0.00 H new ATOM 381 N THR A 60 32.493 -13.031 -9.948 1.00 0.00 N ATOM 382 CA THR A 60 31.654 -12.945 -8.760 1.00 0.00 C ATOM 383 C THR A 60 32.471 -12.351 -7.604 1.00 0.00 C ATOM 384 O THR A 60 32.572 -12.946 -6.533 1.00 0.00 O ATOM 385 CB THR A 60 31.121 -14.349 -8.428 1.00 0.00 C ATOM 386 OG1 THR A 60 30.404 -14.847 -9.541 1.00 0.00 O ATOM 387 CG2 THR A 60 30.193 -14.298 -7.212 1.00 0.00 C ATOM 0 H THR A 60 32.898 -13.954 -10.106 1.00 0.00 H new ATOM 0 HA THR A 60 30.800 -12.289 -8.932 1.00 0.00 H new ATOM 0 HB THR A 60 31.963 -15.002 -8.199 1.00 0.00 H new ATOM 0 HG1 THR A 60 30.063 -15.743 -9.336 1.00 0.00 H new ATOM 0 HG21 THR A 60 29.826 -15.300 -6.992 1.00 0.00 H new ATOM 0 HG22 THR A 60 30.742 -13.916 -6.351 1.00 0.00 H new ATOM 0 HG23 THR A 60 29.350 -13.641 -7.425 1.00 0.00 H new ATOM 395 N ASP A 61 33.054 -11.167 -7.839 1.00 0.00 N ATOM 396 CA ASP A 61 33.849 -10.469 -6.842 1.00 0.00 C ATOM 397 C ASP A 61 32.930 -9.531 -6.043 1.00 0.00 C ATOM 398 O ASP A 61 31.826 -9.928 -5.666 1.00 0.00 O ATOM 399 CB ASP A 61 34.974 -9.710 -7.563 1.00 0.00 C ATOM 400 CG ASP A 61 36.078 -9.304 -6.594 1.00 0.00 C ATOM 401 OD1 ASP A 61 36.850 -10.205 -6.203 1.00 0.00 O ATOM 402 OD2 ASP A 61 36.125 -8.100 -6.266 1.00 0.00 O ATOM 0 H ASP A 61 32.982 -10.673 -8.729 1.00 0.00 H new ATOM 0 HA ASP A 61 34.307 -11.162 -6.136 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.391 -10.337 -8.351 1.00 0.00 H new ATOM 0 HB3 ASP A 61 34.565 -8.822 -8.045 1.00 0.00 H new ATOM 407 N ASP A 62 33.372 -8.290 -5.792 1.00 0.00 N ATOM 408 CA ASP A 62 32.561 -7.315 -5.079 1.00 0.00 C ATOM 409 C ASP A 62 31.367 -6.920 -5.943 1.00 0.00 C ATOM 410 O ASP A 62 31.519 -6.212 -6.941 1.00 0.00 O ATOM 411 CB ASP A 62 33.406 -6.084 -4.716 1.00 0.00 C ATOM 412 CG ASP A 62 33.414 -5.857 -3.210 1.00 0.00 C ATOM 413 OD1 ASP A 62 32.408 -5.295 -2.720 1.00 0.00 O ATOM 414 OD2 ASP A 62 34.417 -6.246 -2.578 1.00 0.00 O ATOM 0 H ASP A 62 34.289 -7.946 -6.076 1.00 0.00 H new ATOM 0 HA ASP A 62 32.194 -7.756 -4.152 1.00 0.00 H new ATOM 0 HB2 ASP A 62 34.427 -6.220 -5.073 1.00 0.00 H new ATOM 0 HB3 ASP A 62 33.007 -5.203 -5.219 1.00 0.00 H new ATOM 419 N TRP A 63 30.176 -7.381 -5.554 1.00 0.00 N ATOM 420 CA TRP A 63 28.955 -7.088 -6.285 1.00 0.00 C ATOM 421 C TRP A 63 28.649 -5.589 -6.248 1.00 0.00 C ATOM 422 O TRP A 63 27.868 -5.104 -7.060 1.00 0.00 O ATOM 423 CB TRP A 63 27.811 -7.906 -5.688 1.00 0.00 C ATOM 424 CG TRP A 63 27.859 -9.357 -6.045 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.213 -10.362 -5.225 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.560 -9.989 -7.324 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.161 -11.570 -5.878 1.00 0.00 N ATOM 428 CE2 TRP A 63 27.762 -11.399 -7.192 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.142 -9.518 -8.589 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.563 -12.286 -8.254 1.00 0.00 C ATOM 431 CZ3 TRP A 63 26.931 -10.410 -9.659 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.145 -11.789 -9.493 1.00 0.00 C ATOM 0 H TRP A 63 30.038 -7.964 -4.728 1.00 0.00 H new ATOM 0 HA TRP A 63 29.079 -7.365 -7.332 1.00 0.00 H new ATOM 0 HB2 TRP A 63 27.833 -7.807 -4.603 1.00 0.00 H new ATOM 0 HB3 TRP A 63 26.863 -7.489 -6.027 1.00 0.00 H new ATOM 0 HD1 TRP A 63 28.500 -10.237 -4.191 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.386 -12.469 -5.453 1.00 0.00 H new ATOM 0 HE3 TRP A 63 26.982 -8.460 -8.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 27.730 -13.344 -8.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.602 -10.031 -10.615 1.00 0.00 H new ATOM 0 HH2 TRP A 63 26.987 -12.464 -10.321 1.00 0.00 H new ATOM 443 N LYS A 64 29.271 -4.854 -5.317 1.00 0.00 N ATOM 444 CA LYS A 64 29.084 -3.416 -5.212 1.00 0.00 C ATOM 445 C LYS A 64 29.525 -2.739 -6.515 1.00 0.00 C ATOM 446 O LYS A 64 28.868 -1.813 -6.990 1.00 0.00 O ATOM 447 CB LYS A 64 29.898 -2.897 -4.022 1.00 0.00 C ATOM 448 CG LYS A 64 29.597 -1.415 -3.784 1.00 0.00 C ATOM 449 CD LYS A 64 30.344 -0.938 -2.536 1.00 0.00 C ATOM 450 CE LYS A 64 30.070 0.550 -2.309 1.00 0.00 C ATOM 451 NZ LYS A 64 30.780 1.041 -1.114 1.00 0.00 N ATOM 0 H LYS A 64 29.911 -5.243 -4.625 1.00 0.00 H new ATOM 0 HA LYS A 64 28.031 -3.184 -5.050 1.00 0.00 H new ATOM 0 HB2 LYS A 64 29.658 -3.473 -3.128 1.00 0.00 H new ATOM 0 HB3 LYS A 64 30.962 -3.034 -4.212 1.00 0.00 H new ATOM 0 HG2 LYS A 64 29.901 -0.827 -4.650 1.00 0.00 H new ATOM 0 HG3 LYS A 64 28.525 -1.266 -3.658 1.00 0.00 H new ATOM 0 HD2 LYS A 64 30.025 -1.513 -1.667 1.00 0.00 H new ATOM 0 HD3 LYS A 64 31.414 -1.107 -2.654 1.00 0.00 H new ATOM 0 HE2 LYS A 64 30.385 1.119 -3.183 1.00 0.00 H new ATOM 0 HE3 LYS A 64 28.999 0.713 -2.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 30.578 2.053 -0.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 30.460 0.512 -0.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 31.804 0.906 -1.238 1.00 0.00 H new ATOM 465 N VAL A 65 30.641 -3.206 -7.089 1.00 0.00 N ATOM 466 CA VAL A 65 31.172 -2.649 -8.325 1.00 0.00 C ATOM 467 C VAL A 65 30.171 -2.862 -9.461 1.00 0.00 C ATOM 468 O VAL A 65 29.899 -1.946 -10.235 1.00 0.00 O ATOM 469 CB VAL A 65 32.515 -3.324 -8.647 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.059 -2.795 -9.976 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.525 -3.027 -7.535 1.00 0.00 C ATOM 0 H VAL A 65 31.193 -3.975 -6.708 1.00 0.00 H new ATOM 0 HA VAL A 65 31.334 -1.577 -8.210 1.00 0.00 H new ATOM 0 HB VAL A 65 32.360 -4.400 -8.721 1.00 0.00 H new ATOM 0 HG11 VAL A 65 34.011 -3.278 -10.198 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.348 -3.013 -10.773 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.207 -1.717 -9.906 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.475 -3.508 -7.768 1.00 0.00 H new ATOM 0 HG22 VAL A 65 33.673 -1.950 -7.456 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.147 -3.412 -6.588 1.00 0.00 H new ATOM 481 N ILE A 66 29.625 -4.076 -9.556 1.00 0.00 N ATOM 482 CA ILE A 66 28.666 -4.416 -10.595 1.00 0.00 C ATOM 483 C ILE A 66 27.373 -3.618 -10.389 1.00 0.00 C ATOM 484 O ILE A 66 26.770 -3.153 -11.356 1.00 0.00 O ATOM 485 CB ILE A 66 28.415 -5.935 -10.565 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.722 -6.664 -10.932 1.00 0.00 C ATOM 487 CG2 ILE A 66 27.316 -6.302 -11.571 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.646 -8.140 -10.545 1.00 0.00 C ATOM 0 H ILE A 66 29.837 -4.842 -8.917 1.00 0.00 H new ATOM 0 HA ILE A 66 29.058 -4.153 -11.577 1.00 0.00 H new ATOM 0 HB ILE A 66 28.093 -6.234 -9.568 1.00 0.00 H new ATOM 0 HG12 ILE A 66 29.906 -6.573 -12.002 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.562 -6.192 -10.423 1.00 0.00 H new ATOM 0 HG21 ILE A 66 27.143 -7.378 -11.545 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.395 -5.780 -11.310 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.628 -6.009 -12.573 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.579 -8.635 -10.813 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.485 -8.227 -9.470 1.00 0.00 H new ATOM 0 HD13 ILE A 66 28.819 -8.613 -11.075 1.00 0.00 H new ATOM 500 N ALA A 67 26.954 -3.453 -9.128 1.00 0.00 N ATOM 501 CA ALA A 67 25.746 -2.708 -8.802 1.00 0.00 C ATOM 502 C ALA A 67 25.866 -1.264 -9.289 1.00 0.00 C ATOM 503 O ALA A 67 24.900 -0.700 -9.790 1.00 0.00 O ATOM 504 CB ALA A 67 25.516 -2.749 -7.292 1.00 0.00 C ATOM 0 H ALA A 67 27.442 -3.831 -8.316 1.00 0.00 H new ATOM 0 HA ALA A 67 24.893 -3.165 -9.304 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.612 -2.192 -7.046 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.403 -3.784 -6.969 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.369 -2.301 -6.782 1.00 0.00 H new ATOM 510 N ASN A 68 27.057 -0.665 -9.147 1.00 0.00 N ATOM 511 CA ASN A 68 27.284 0.708 -9.587 1.00 0.00 C ATOM 512 C ASN A 68 27.012 0.832 -11.090 1.00 0.00 C ATOM 513 O ASN A 68 26.549 1.875 -11.547 1.00 0.00 O ATOM 514 CB ASN A 68 28.723 1.130 -9.261 1.00 0.00 C ATOM 515 CG ASN A 68 28.796 1.820 -7.903 1.00 0.00 C ATOM 516 OD1 ASN A 68 28.885 3.041 -7.829 1.00 0.00 O ATOM 517 ND2 ASN A 68 28.758 1.036 -6.826 1.00 0.00 N ATOM 0 H ASN A 68 27.873 -1.114 -8.731 1.00 0.00 H new ATOM 0 HA ASN A 68 26.599 1.371 -9.058 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.372 0.254 -9.263 1.00 0.00 H new ATOM 0 HB3 ASN A 68 29.093 1.803 -10.035 1.00 0.00 H new ATOM 0 HD21 ASN A 68 28.803 1.447 -5.894 1.00 0.00 H new ATOM 0 HD22 ASN A 68 28.683 0.024 -6.934 1.00 0.00 H new ATOM 524 N TYR A 69 27.297 -0.231 -11.856 1.00 0.00 N ATOM 525 CA TYR A 69 27.078 -0.223 -13.298 1.00 0.00 C ATOM 526 C TYR A 69 25.601 -0.474 -13.617 1.00 0.00 C ATOM 527 O TYR A 69 25.138 -0.107 -14.695 1.00 0.00 O ATOM 528 CB TYR A 69 27.952 -1.296 -13.960 1.00 0.00 C ATOM 529 CG TYR A 69 29.428 -1.215 -13.607 1.00 0.00 C ATOM 530 CD1 TYR A 69 30.039 0.027 -13.336 1.00 0.00 C ATOM 531 CD2 TYR A 69 30.194 -2.393 -13.563 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.407 0.083 -13.021 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.562 -2.334 -13.251 1.00 0.00 C ATOM 534 CZ TYR A 69 32.168 -1.096 -12.979 1.00 0.00 C ATOM 535 OH TYR A 69 33.496 -1.038 -12.677 1.00 0.00 O ATOM 0 H TYR A 69 27.680 -1.105 -11.495 1.00 0.00 H new ATOM 0 HA TYR A 69 27.353 0.756 -13.691 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.577 -2.279 -13.674 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.846 -1.216 -15.042 1.00 0.00 H new ATOM 0 HD1 TYR A 69 29.455 0.935 -13.371 1.00 0.00 H new ATOM 0 HD2 TYR A 69 29.729 -3.346 -13.770 1.00 0.00 H new ATOM 0 HE1 TYR A 69 31.874 1.034 -12.811 1.00 0.00 H new ATOM 0 HE2 TYR A 69 32.148 -3.240 -13.220 1.00 0.00 H new ATOM 0 HH TYR A 69 33.874 -1.942 -12.689 1.00 0.00 H new ATOM 545 N LEU A 70 24.867 -1.102 -12.683 1.00 0.00 N ATOM 546 CA LEU A 70 23.452 -1.407 -12.870 1.00 0.00 C ATOM 547 C LEU A 70 22.624 -0.722 -11.774 1.00 0.00 C ATOM 548 O LEU A 70 22.304 -1.351 -10.767 1.00 0.00 O ATOM 549 CB LEU A 70 23.250 -2.930 -12.814 1.00 0.00 C ATOM 550 CG LEU A 70 23.998 -3.625 -13.964 1.00 0.00 C ATOM 551 CD1 LEU A 70 23.937 -5.140 -13.757 1.00 0.00 C ATOM 552 CD2 LEU A 70 23.350 -3.274 -15.309 1.00 0.00 C ATOM 0 H LEU A 70 25.242 -1.408 -11.785 1.00 0.00 H new ATOM 0 HA LEU A 70 23.122 -1.036 -13.841 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.607 -3.313 -11.858 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.187 -3.162 -12.873 1.00 0.00 H new ATOM 0 HG LEU A 70 25.034 -3.287 -13.971 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.465 -5.640 -14.569 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.406 -5.397 -12.807 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.896 -5.464 -13.748 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.890 -3.773 -16.114 1.00 0.00 H new ATOM 0 HD22 LEU A 70 22.311 -3.604 -15.310 1.00 0.00 H new ATOM 0 HD23 LEU A 70 23.388 -2.195 -15.461 1.00 0.00 H new ATOM 564 N PRO A 71 22.266 0.570 -11.961 1.00 0.00 N ATOM 565 CA PRO A 71 21.479 1.306 -10.991 1.00 0.00 C ATOM 566 C PRO A 71 20.172 0.571 -10.688 1.00 0.00 C ATOM 567 O PRO A 71 19.694 -0.207 -11.513 1.00 0.00 O ATOM 568 CB PRO A 71 21.225 2.683 -11.611 1.00 0.00 C ATOM 569 CG PRO A 71 22.006 2.729 -12.930 1.00 0.00 C ATOM 570 CD PRO A 71 22.622 1.344 -13.132 1.00 0.00 C ATOM 0 HA PRO A 71 21.999 1.403 -10.038 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.160 2.837 -11.787 1.00 0.00 H new ATOM 0 HB3 PRO A 71 21.555 3.476 -10.939 1.00 0.00 H new ATOM 0 HG2 PRO A 71 21.347 2.983 -13.760 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.781 3.494 -12.893 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.239 0.876 -14.039 1.00 0.00 H new ATOM 0 HD3 PRO A 71 23.705 1.411 -13.240 1.00 0.00 H new ATOM 578 N ASN A 72 19.608 0.823 -9.491 1.00 0.00 N ATOM 579 CA ASN A 72 18.371 0.181 -9.017 1.00 0.00 C ATOM 580 C ASN A 72 18.666 -1.249 -8.554 1.00 0.00 C ATOM 581 O ASN A 72 18.184 -1.670 -7.503 1.00 0.00 O ATOM 582 CB ASN A 72 17.270 0.191 -10.095 1.00 0.00 C ATOM 583 CG ASN A 72 17.081 1.582 -10.693 1.00 0.00 C ATOM 584 OD1 ASN A 72 16.468 2.447 -10.074 1.00 0.00 O ATOM 585 ND2 ASN A 72 17.604 1.794 -11.900 1.00 0.00 N ATOM 0 H ASN A 72 20.003 1.484 -8.822 1.00 0.00 H new ATOM 0 HA ASN A 72 17.997 0.758 -8.171 1.00 0.00 H new ATOM 0 HB2 ASN A 72 17.528 -0.513 -10.886 1.00 0.00 H new ATOM 0 HB3 ASN A 72 16.330 -0.149 -9.659 1.00 0.00 H new ATOM 0 HD21 ASN A 72 17.503 2.705 -12.347 1.00 0.00 H new ATOM 0 HD22 ASN A 72 18.106 1.045 -12.377 1.00 0.00 H new ATOM 592 N ARG A 73 19.461 -1.995 -9.333 1.00 0.00 N ATOM 593 CA ARG A 73 19.822 -3.358 -8.988 1.00 0.00 C ATOM 594 C ARG A 73 20.941 -3.328 -7.950 1.00 0.00 C ATOM 595 O ARG A 73 22.117 -3.253 -8.298 1.00 0.00 O ATOM 596 CB ARG A 73 20.267 -4.114 -10.251 1.00 0.00 C ATOM 597 CG ARG A 73 19.191 -4.029 -11.345 1.00 0.00 C ATOM 598 CD ARG A 73 17.906 -4.722 -10.883 1.00 0.00 C ATOM 599 NE ARG A 73 16.944 -4.819 -11.992 1.00 0.00 N ATOM 600 CZ ARG A 73 15.897 -3.985 -12.158 1.00 0.00 C ATOM 601 NH1 ARG A 73 15.690 -2.960 -11.317 1.00 0.00 N ATOM 602 NH2 ARG A 73 15.059 -4.186 -13.180 1.00 0.00 N ATOM 0 H ARG A 73 19.864 -1.666 -10.210 1.00 0.00 H new ATOM 0 HA ARG A 73 18.961 -3.877 -8.566 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.202 -3.694 -10.621 1.00 0.00 H new ATOM 0 HB3 ARG A 73 20.461 -5.158 -10.006 1.00 0.00 H new ATOM 0 HG2 ARG A 73 18.984 -2.985 -11.581 1.00 0.00 H new ATOM 0 HG3 ARG A 73 19.555 -4.496 -12.260 1.00 0.00 H new ATOM 0 HD2 ARG A 73 18.138 -5.719 -10.507 1.00 0.00 H new ATOM 0 HD3 ARG A 73 17.463 -4.166 -10.057 1.00 0.00 H new ATOM 0 HE ARG A 73 17.077 -5.563 -12.677 1.00 0.00 H new ATOM 0 HH11 ARG A 73 16.329 -2.802 -10.538 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.893 -2.339 -11.457 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.215 -4.963 -13.823 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.263 -3.563 -13.317 1.00 0.00 H new ATOM 616 N THR A 74 20.563 -3.382 -6.670 1.00 0.00 N ATOM 617 CA THR A 74 21.520 -3.359 -5.575 1.00 0.00 C ATOM 618 C THR A 74 22.406 -4.605 -5.626 1.00 0.00 C ATOM 619 O THR A 74 22.028 -5.616 -6.213 1.00 0.00 O ATOM 620 CB THR A 74 20.764 -3.284 -4.243 1.00 0.00 C ATOM 621 OG1 THR A 74 19.655 -4.160 -4.276 1.00 0.00 O ATOM 622 CG2 THR A 74 20.272 -1.854 -4.009 1.00 0.00 C ATOM 0 H THR A 74 19.590 -3.442 -6.371 1.00 0.00 H new ATOM 0 HA THR A 74 22.161 -2.483 -5.667 1.00 0.00 H new ATOM 0 HB THR A 74 21.435 -3.575 -3.434 1.00 0.00 H new ATOM 0 HG1 THR A 74 18.941 -3.805 -3.706 1.00 0.00 H new ATOM 0 HG21 THR A 74 19.735 -1.804 -3.062 1.00 0.00 H new ATOM 0 HG22 THR A 74 21.125 -1.176 -3.979 1.00 0.00 H new ATOM 0 HG23 THR A 74 19.605 -1.562 -4.820 1.00 0.00 H new ATOM 630 N ASP A 75 23.587 -4.519 -5.001 1.00 0.00 N ATOM 631 CA ASP A 75 24.546 -5.618 -4.967 1.00 0.00 C ATOM 632 C ASP A 75 23.876 -6.904 -4.481 1.00 0.00 C ATOM 633 O ASP A 75 24.153 -7.981 -5.002 1.00 0.00 O ATOM 634 CB ASP A 75 25.711 -5.233 -4.047 1.00 0.00 C ATOM 635 CG ASP A 75 25.247 -5.060 -2.603 1.00 0.00 C ATOM 636 OD1 ASP A 75 24.443 -4.130 -2.372 1.00 0.00 O ATOM 637 OD2 ASP A 75 25.703 -5.863 -1.762 1.00 0.00 O ATOM 0 H ASP A 75 23.900 -3.684 -4.506 1.00 0.00 H new ATOM 0 HA ASP A 75 24.924 -5.802 -5.973 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.482 -6.002 -4.093 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.163 -4.306 -4.399 1.00 0.00 H new ATOM 642 N VAL A 76 22.995 -6.786 -3.484 1.00 0.00 N ATOM 643 CA VAL A 76 22.286 -7.929 -2.934 1.00 0.00 C ATOM 644 C VAL A 76 21.452 -8.606 -4.027 1.00 0.00 C ATOM 645 O VAL A 76 21.421 -9.833 -4.115 1.00 0.00 O ATOM 646 CB VAL A 76 21.397 -7.452 -1.774 1.00 0.00 C ATOM 647 CG1 VAL A 76 20.540 -8.612 -1.261 1.00 0.00 C ATOM 648 CG2 VAL A 76 22.276 -6.929 -0.632 1.00 0.00 C ATOM 0 H VAL A 76 22.759 -5.898 -3.042 1.00 0.00 H new ATOM 0 HA VAL A 76 22.997 -8.663 -2.556 1.00 0.00 H new ATOM 0 HB VAL A 76 20.747 -6.653 -2.132 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.913 -8.266 -0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 76 19.908 -8.982 -2.068 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.188 -9.415 -0.910 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.643 -6.592 0.189 1.00 0.00 H new ATOM 0 HG22 VAL A 76 22.930 -7.727 -0.281 1.00 0.00 H new ATOM 0 HG23 VAL A 76 22.880 -6.096 -0.990 1.00 0.00 H new ATOM 658 N GLN A 77 20.777 -7.805 -4.858 1.00 0.00 N ATOM 659 CA GLN A 77 19.932 -8.327 -5.921 1.00 0.00 C ATOM 660 C GLN A 77 20.795 -8.883 -7.051 1.00 0.00 C ATOM 661 O GLN A 77 20.449 -9.902 -7.641 1.00 0.00 O ATOM 662 CB GLN A 77 19.002 -7.213 -6.423 1.00 0.00 C ATOM 663 CG GLN A 77 17.645 -7.297 -5.705 1.00 0.00 C ATOM 664 CD GLN A 77 17.809 -7.543 -4.205 1.00 0.00 C ATOM 665 OE1 GLN A 77 17.472 -8.618 -3.711 1.00 0.00 O ATOM 666 NE2 GLN A 77 18.324 -6.550 -3.482 1.00 0.00 N ATOM 0 H GLN A 77 20.804 -6.787 -4.809 1.00 0.00 H new ATOM 0 HA GLN A 77 19.319 -9.144 -5.540 1.00 0.00 H new ATOM 0 HB2 GLN A 77 19.458 -6.239 -6.244 1.00 0.00 H new ATOM 0 HB3 GLN A 77 18.859 -7.305 -7.500 1.00 0.00 H new ATOM 0 HG2 GLN A 77 17.093 -6.371 -5.863 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.052 -8.100 -6.142 1.00 0.00 H new ATOM 0 HE21 GLN A 77 18.590 -5.675 -3.934 1.00 0.00 H new ATOM 0 HE22 GLN A 77 18.453 -6.665 -2.477 1.00 0.00 H new ATOM 675 N CYS A 78 21.922 -8.226 -7.347 1.00 0.00 N ATOM 676 CA CYS A 78 22.834 -8.701 -8.378 1.00 0.00 C ATOM 677 C CYS A 78 23.374 -10.070 -7.971 1.00 0.00 C ATOM 678 O CYS A 78 23.469 -10.976 -8.797 1.00 0.00 O ATOM 679 CB CYS A 78 23.981 -7.704 -8.565 1.00 0.00 C ATOM 680 SG CYS A 78 23.307 -6.122 -9.128 1.00 0.00 S ATOM 0 H CYS A 78 22.219 -7.366 -6.885 1.00 0.00 H new ATOM 0 HA CYS A 78 22.304 -8.791 -9.326 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.519 -7.570 -7.627 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.697 -8.087 -9.292 1.00 0.00 H new ATOM 0 HG CYS A 78 22.677 -5.545 -8.148 1.00 0.00 H new ATOM 686 N GLN A 79 23.718 -10.212 -6.684 1.00 0.00 N ATOM 687 CA GLN A 79 24.220 -11.462 -6.145 1.00 0.00 C ATOM 688 C GLN A 79 23.143 -12.536 -6.255 1.00 0.00 C ATOM 689 O GLN A 79 23.410 -13.635 -6.739 1.00 0.00 O ATOM 690 CB GLN A 79 24.629 -11.247 -4.683 1.00 0.00 C ATOM 691 CG GLN A 79 25.232 -12.535 -4.114 1.00 0.00 C ATOM 692 CD GLN A 79 25.586 -12.375 -2.640 1.00 0.00 C ATOM 693 OE1 GLN A 79 25.181 -13.187 -1.813 1.00 0.00 O ATOM 694 NE2 GLN A 79 26.343 -11.328 -2.309 1.00 0.00 N ATOM 0 H GLN A 79 23.653 -9.460 -5.997 1.00 0.00 H new ATOM 0 HA GLN A 79 25.091 -11.792 -6.711 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.353 -10.435 -4.615 1.00 0.00 H new ATOM 0 HB3 GLN A 79 23.761 -10.950 -4.094 1.00 0.00 H new ATOM 0 HG2 GLN A 79 24.524 -13.355 -4.233 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.126 -12.801 -4.678 1.00 0.00 H new ATOM 0 HE21 GLN A 79 26.657 -10.678 -3.029 1.00 0.00 H new ATOM 0 HE22 GLN A 79 26.608 -11.177 -1.335 1.00 0.00 H new ATOM 703 N HIS A 80 21.921 -12.213 -5.804 1.00 0.00 N ATOM 704 CA HIS A 80 20.803 -13.143 -5.870 1.00 0.00 C ATOM 705 C HIS A 80 20.596 -13.597 -7.309 1.00 0.00 C ATOM 706 O HIS A 80 20.377 -14.781 -7.560 1.00 0.00 O ATOM 707 CB HIS A 80 19.536 -12.467 -5.338 1.00 0.00 C ATOM 708 CG HIS A 80 19.568 -12.240 -3.850 1.00 0.00 C ATOM 709 ND1 HIS A 80 18.648 -11.427 -3.198 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.391 -12.708 -2.855 1.00 0.00 C ATOM 711 CE1 HIS A 80 18.961 -11.459 -1.889 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.018 -12.223 -1.611 1.00 0.00 N ATOM 0 H HIS A 80 21.690 -11.310 -5.390 1.00 0.00 H new ATOM 0 HA HIS A 80 21.021 -14.016 -5.254 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.403 -11.510 -5.843 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.671 -13.082 -5.587 1.00 0.00 H new ATOM 0 HD1 HIS A 80 17.883 -10.907 -3.628 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.226 -13.372 -3.021 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.408 -10.917 -1.136 1.00 0.00 H new ATOM 720 N ARG A 81 20.671 -12.653 -8.256 1.00 0.00 N ATOM 721 CA ARG A 81 20.493 -12.952 -9.667 1.00 0.00 C ATOM 722 C ARG A 81 21.783 -13.549 -10.247 1.00 0.00 C ATOM 723 O ARG A 81 22.195 -13.195 -11.347 1.00 0.00 O ATOM 724 CB ARG A 81 20.086 -11.664 -10.403 1.00 0.00 C ATOM 725 CG ARG A 81 19.539 -11.979 -11.808 1.00 0.00 C ATOM 726 CD ARG A 81 18.121 -12.551 -11.721 1.00 0.00 C ATOM 727 NE ARG A 81 17.521 -12.624 -13.059 1.00 0.00 N ATOM 728 CZ ARG A 81 16.313 -13.158 -13.302 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.599 -13.690 -12.301 1.00 0.00 N ATOM 730 NH2 ARG A 81 15.821 -13.157 -14.548 1.00 0.00 N ATOM 0 H ARG A 81 20.856 -11.669 -8.059 1.00 0.00 H new ATOM 0 HA ARG A 81 19.703 -13.692 -9.797 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.329 -11.134 -9.825 1.00 0.00 H new ATOM 0 HB3 ARG A 81 20.947 -11.000 -10.485 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.534 -11.073 -12.414 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.194 -12.693 -12.307 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.148 -13.544 -11.272 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.508 -11.925 -11.073 1.00 0.00 H new ATOM 0 HE ARG A 81 18.050 -12.249 -13.846 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.973 -13.690 -11.352 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.682 -14.095 -12.488 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.364 -12.751 -15.310 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.904 -13.562 -14.734 1.00 0.00 H new ATOM 744 N TRP A 82 22.413 -14.470 -9.512 1.00 0.00 N ATOM 745 CA TRP A 82 23.590 -15.162 -9.998 1.00 0.00 C ATOM 746 C TRP A 82 23.896 -16.358 -9.112 1.00 0.00 C ATOM 747 O TRP A 82 23.820 -17.495 -9.566 1.00 0.00 O ATOM 748 CB TRP A 82 24.806 -14.236 -10.089 1.00 0.00 C ATOM 749 CG TRP A 82 25.899 -14.849 -10.897 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.981 -15.481 -10.415 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.991 -14.973 -12.344 1.00 0.00 C ATOM 752 NE1 TRP A 82 27.734 -16.007 -11.436 1.00 0.00 N ATOM 753 CE2 TRP A 82 27.160 -15.728 -12.662 1.00 0.00 C ATOM 754 CE3 TRP A 82 25.194 -14.543 -13.426 1.00 0.00 C ATOM 755 CZ2 TRP A 82 27.506 -16.051 -13.977 1.00 0.00 C ATOM 756 CZ3 TRP A 82 25.542 -14.865 -14.751 1.00 0.00 C ATOM 757 CH2 TRP A 82 26.691 -15.624 -15.024 1.00 0.00 C ATOM 0 H TRP A 82 22.119 -14.748 -8.576 1.00 0.00 H new ATOM 0 HA TRP A 82 23.374 -15.509 -11.008 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.510 -13.287 -10.536 1.00 0.00 H new ATOM 0 HB3 TRP A 82 25.173 -14.015 -9.087 1.00 0.00 H new ATOM 0 HD1 TRP A 82 27.226 -15.564 -9.366 1.00 0.00 H new ATOM 0 HE1 TRP A 82 28.599 -16.532 -11.307 1.00 0.00 H new ATOM 0 HE3 TRP A 82 24.306 -13.959 -13.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 28.397 -16.626 -14.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 24.919 -14.525 -15.565 1.00 0.00 H new ATOM 0 HH2 TRP A 82 26.943 -15.877 -16.043 1.00 0.00 H new ATOM 768 N GLN A 83 24.238 -16.108 -7.843 1.00 0.00 N ATOM 769 CA GLN A 83 24.573 -17.176 -6.908 1.00 0.00 C ATOM 770 C GLN A 83 23.300 -17.881 -6.417 1.00 0.00 C ATOM 771 O GLN A 83 23.281 -18.432 -5.315 1.00 0.00 O ATOM 772 CB GLN A 83 25.366 -16.587 -5.733 1.00 0.00 C ATOM 773 CG GLN A 83 26.697 -16.017 -6.243 1.00 0.00 C ATOM 774 CD GLN A 83 27.574 -15.536 -5.089 1.00 0.00 C ATOM 775 OE1 GLN A 83 27.950 -14.367 -5.038 1.00 0.00 O ATOM 776 NE2 GLN A 83 27.904 -16.439 -4.166 1.00 0.00 N ATOM 0 H GLN A 83 24.289 -15.171 -7.444 1.00 0.00 H new ATOM 0 HA GLN A 83 25.188 -17.922 -7.412 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.786 -15.803 -5.247 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.552 -17.357 -4.984 1.00 0.00 H new ATOM 0 HG2 GLN A 83 27.228 -16.780 -6.812 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.503 -15.189 -6.925 1.00 0.00 H new ATOM 0 HE21 GLN A 83 27.569 -17.399 -4.249 1.00 0.00 H new ATOM 0 HE22 GLN A 83 28.492 -16.170 -3.377 1.00 0.00 H new ATOM 785 N LYS A 84 22.239 -17.862 -7.236 1.00 0.00 N ATOM 786 CA LYS A 84 20.988 -18.521 -6.903 1.00 0.00 C ATOM 787 C LYS A 84 20.123 -18.743 -8.158 1.00 0.00 C ATOM 788 O LYS A 84 19.011 -19.254 -8.039 1.00 0.00 O ATOM 789 CB LYS A 84 20.241 -17.673 -5.861 1.00 0.00 C ATOM 790 CG LYS A 84 20.015 -18.500 -4.587 1.00 0.00 C ATOM 791 CD LYS A 84 19.643 -17.585 -3.407 1.00 0.00 C ATOM 792 CE LYS A 84 20.817 -16.664 -3.022 1.00 0.00 C ATOM 793 NZ LYS A 84 22.093 -17.403 -2.937 1.00 0.00 N ATOM 0 H LYS A 84 22.233 -17.390 -8.140 1.00 0.00 H new ATOM 0 HA LYS A 84 21.201 -19.505 -6.485 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.816 -16.777 -5.627 1.00 0.00 H new ATOM 0 HB3 LYS A 84 19.285 -17.342 -6.266 1.00 0.00 H new ATOM 0 HG2 LYS A 84 19.221 -19.227 -4.755 1.00 0.00 H new ATOM 0 HG3 LYS A 84 20.917 -19.063 -4.347 1.00 0.00 H new ATOM 0 HD2 LYS A 84 18.775 -16.981 -3.672 1.00 0.00 H new ATOM 0 HD3 LYS A 84 19.358 -18.193 -2.548 1.00 0.00 H new ATOM 0 HE2 LYS A 84 20.908 -15.866 -3.758 1.00 0.00 H new ATOM 0 HE3 LYS A 84 20.607 -16.190 -2.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 22.807 -16.810 -2.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 21.953 -18.275 -2.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 22.418 -17.645 -3.895 1.00 0.00 H new ATOM 807 N VAL A 85 20.619 -18.358 -9.359 1.00 0.00 N ATOM 808 CA VAL A 85 19.847 -18.500 -10.593 1.00 0.00 C ATOM 809 C VAL A 85 20.768 -18.886 -11.762 1.00 0.00 C ATOM 810 O VAL A 85 20.703 -20.012 -12.251 1.00 0.00 O ATOM 811 CB VAL A 85 19.101 -17.181 -10.897 1.00 0.00 C ATOM 812 CG1 VAL A 85 18.170 -17.383 -12.097 1.00 0.00 C ATOM 813 CG2 VAL A 85 18.264 -16.747 -9.687 1.00 0.00 C ATOM 0 H VAL A 85 21.545 -17.951 -9.487 1.00 0.00 H new ATOM 0 HA VAL A 85 19.114 -19.296 -10.464 1.00 0.00 H new ATOM 0 HB VAL A 85 19.838 -16.409 -11.119 1.00 0.00 H new ATOM 0 HG11 VAL A 85 17.644 -16.452 -12.310 1.00 0.00 H new ATOM 0 HG12 VAL A 85 18.757 -17.676 -12.967 1.00 0.00 H new ATOM 0 HG13 VAL A 85 17.445 -18.164 -11.868 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.745 -15.817 -9.918 1.00 0.00 H new ATOM 0 HG22 VAL A 85 17.533 -17.521 -9.453 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.918 -16.594 -8.828 1.00 0.00 H new ATOM 823 N LEU A 86 21.612 -17.946 -12.218 1.00 0.00 N ATOM 824 CA LEU A 86 22.493 -18.182 -13.362 1.00 0.00 C ATOM 825 C LEU A 86 23.582 -19.183 -12.999 1.00 0.00 C ATOM 826 O LEU A 86 24.133 -19.137 -11.902 1.00 0.00 O ATOM 827 CB LEU A 86 23.160 -16.868 -13.800 1.00 0.00 C ATOM 828 CG LEU A 86 22.203 -15.941 -14.577 1.00 0.00 C ATOM 829 CD1 LEU A 86 21.617 -16.668 -15.789 1.00 0.00 C ATOM 830 CD2 LEU A 86 21.083 -15.440 -13.667 1.00 0.00 C ATOM 0 H LEU A 86 21.699 -17.016 -11.808 1.00 0.00 H new ATOM 0 HA LEU A 86 21.887 -18.579 -14.176 1.00 0.00 H new ATOM 0 HB2 LEU A 86 23.531 -16.343 -12.920 1.00 0.00 H new ATOM 0 HB3 LEU A 86 24.024 -17.095 -14.424 1.00 0.00 H new ATOM 0 HG LEU A 86 22.773 -15.081 -14.930 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.944 -15.998 -16.325 1.00 0.00 H new ATOM 0 HD12 LEU A 86 22.424 -16.978 -16.452 1.00 0.00 H new ATOM 0 HD13 LEU A 86 21.064 -17.546 -15.454 1.00 0.00 H new ATOM 0 HD21 LEU A 86 20.418 -14.788 -14.233 1.00 0.00 H new ATOM 0 HD22 LEU A 86 20.518 -16.290 -13.284 1.00 0.00 H new ATOM 0 HD23 LEU A 86 21.513 -14.885 -12.833 1.00 0.00 H new