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 80 HIS : no HD1:sc= 0.74 K(o=1.9,f=-2.7) USER MOD Set 1.2: A 84 LYS NZ :NH3+ -167:sc= 1.11 (180deg=-0.00804) USER MOD Set 2.1: A 64 LYS NZ :NH3+ -168:sc= 1.13 (180deg=-0.291) USER MOD Set 2.2: A 68 ASN : amide:sc= 0.927 K(o=2.1,f=-9.3!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 172:sc= 1.05 (180deg=0.923) USER MOD Single : A 52 LYS NZ :NH3+ 158:sc= 0.641 (180deg=0.34) USER MOD Single : A 53 LYS NZ :NH3+ 176:sc= 0.9 (180deg=0.886) USER MOD Single : A 57 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.18) USER MOD Single : A 58 ASN : amide:sc= 0.792 K(o=0.79,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.14) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.154 USER MOD Single : A 77 GLN : amide:sc= -0.259 X(o=-0.26,f=0) USER MOD Single : A 78 CYS SG : rot 78:sc= -0.362 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 GLN : amide:sc= 0.234 K(o=0.23,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 13.665 -7.776 -13.668 1.00 0.00 N ATOM 90 CA TRP A 43 14.872 -8.254 -14.320 1.00 0.00 C ATOM 91 C TRP A 43 14.573 -8.584 -15.777 1.00 0.00 C ATOM 92 O TRP A 43 14.184 -9.704 -16.101 1.00 0.00 O ATOM 93 CB TRP A 43 15.410 -9.473 -13.569 1.00 0.00 C ATOM 94 CG TRP A 43 16.298 -9.116 -12.427 1.00 0.00 C ATOM 95 CD1 TRP A 43 15.970 -9.150 -11.127 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.667 -8.631 -12.469 1.00 0.00 C ATOM 97 NE1 TRP A 43 17.015 -8.719 -10.346 1.00 0.00 N ATOM 98 CE2 TRP A 43 18.103 -8.378 -11.132 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.588 -8.371 -13.505 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.380 -7.887 -10.845 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.873 -7.873 -13.225 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.267 -7.625 -11.899 1.00 0.00 C ATOM 0 HA TRP A 43 15.637 -7.478 -14.301 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.571 -10.062 -13.198 1.00 0.00 H new ATOM 0 HB3 TRP A 43 15.961 -10.106 -14.265 1.00 0.00 H new ATOM 0 HD1 TRP A 43 15.013 -9.473 -10.745 1.00 0.00 H new ATOM 0 HE1 TRP A 43 16.993 -8.659 -9.328 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.302 -8.557 -14.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.680 -7.711 -9.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.562 -7.680 -14.034 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.252 -7.233 -11.692 1.00 0.00 H new ATOM 113 N THR A 44 14.761 -7.592 -16.652 1.00 0.00 N ATOM 114 CA THR A 44 14.537 -7.754 -18.076 1.00 0.00 C ATOM 115 C THR A 44 15.692 -8.554 -18.680 1.00 0.00 C ATOM 116 O THR A 44 16.793 -8.567 -18.128 1.00 0.00 O ATOM 117 CB THR A 44 14.433 -6.364 -18.722 1.00 0.00 C ATOM 118 OG1 THR A 44 13.617 -5.535 -17.920 1.00 0.00 O ATOM 119 CG2 THR A 44 13.820 -6.473 -20.120 1.00 0.00 C ATOM 0 H THR A 44 15.073 -6.658 -16.385 1.00 0.00 H new ATOM 0 HA THR A 44 13.610 -8.297 -18.259 1.00 0.00 H new ATOM 0 HB THR A 44 15.432 -5.937 -18.804 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.551 -4.647 -18.329 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.752 -5.481 -20.566 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.448 -7.109 -20.744 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.823 -6.907 -20.047 1.00 0.00 H new ATOM 127 N ARG A 45 15.439 -9.220 -19.816 1.00 0.00 N ATOM 128 CA ARG A 45 16.455 -10.017 -20.490 1.00 0.00 C ATOM 129 C ARG A 45 17.717 -9.180 -20.712 1.00 0.00 C ATOM 130 O ARG A 45 18.821 -9.664 -20.503 1.00 0.00 O ATOM 131 CB ARG A 45 15.905 -10.529 -21.827 1.00 0.00 C ATOM 132 CG ARG A 45 16.589 -11.851 -22.192 1.00 0.00 C ATOM 133 CD ARG A 45 16.402 -12.140 -23.684 1.00 0.00 C ATOM 134 NE ARG A 45 17.389 -11.403 -24.483 1.00 0.00 N ATOM 135 CZ ARG A 45 17.537 -11.567 -25.808 1.00 0.00 C ATOM 136 NH1 ARG A 45 16.644 -12.286 -26.502 1.00 0.00 N ATOM 137 NH2 ARG A 45 18.581 -11.012 -26.435 1.00 0.00 N ATOM 0 H ARG A 45 14.532 -9.217 -20.283 1.00 0.00 H new ATOM 0 HA ARG A 45 16.716 -10.872 -19.867 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.827 -10.673 -21.757 1.00 0.00 H new ATOM 0 HB3 ARG A 45 16.078 -9.790 -22.610 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.651 -11.799 -21.953 1.00 0.00 H new ATOM 0 HG3 ARG A 45 16.169 -12.664 -21.600 1.00 0.00 H new ATOM 0 HD2 ARG A 45 16.503 -13.210 -23.868 1.00 0.00 H new ATOM 0 HD3 ARG A 45 15.395 -11.858 -23.991 1.00 0.00 H new ATOM 0 HE ARG A 45 17.993 -10.732 -24.008 1.00 0.00 H new ATOM 0 HH11 ARG A 45 15.849 -12.711 -26.024 1.00 0.00 H new ATOM 0 HH12 ARG A 45 16.759 -12.409 -27.508 1.00 0.00 H new ATOM 0 HH21 ARG A 45 19.262 -10.466 -25.907 1.00 0.00 H new ATOM 0 HH22 ARG A 45 18.696 -11.135 -27.441 1.00 0.00 H new ATOM 151 N GLU A 46 17.541 -7.919 -21.132 1.00 0.00 N ATOM 152 CA GLU A 46 18.658 -7.017 -21.373 1.00 0.00 C ATOM 153 C GLU A 46 19.517 -6.892 -20.113 1.00 0.00 C ATOM 154 O GLU A 46 20.743 -6.953 -20.186 1.00 0.00 O ATOM 155 CB GLU A 46 18.116 -5.648 -21.798 1.00 0.00 C ATOM 156 CG GLU A 46 19.273 -4.739 -22.227 1.00 0.00 C ATOM 157 CD GLU A 46 18.775 -3.335 -22.545 1.00 0.00 C ATOM 158 OE1 GLU A 46 17.765 -3.242 -23.275 1.00 0.00 O ATOM 159 OE2 GLU A 46 19.415 -2.381 -22.051 1.00 0.00 O ATOM 0 H GLU A 46 16.626 -7.506 -21.311 1.00 0.00 H new ATOM 0 HA GLU A 46 19.285 -7.415 -22.171 1.00 0.00 H new ATOM 0 HB2 GLU A 46 17.410 -5.766 -22.620 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.570 -5.191 -20.973 1.00 0.00 H new ATOM 0 HG2 GLU A 46 20.018 -4.693 -21.433 1.00 0.00 H new ATOM 0 HG3 GLU A 46 19.766 -5.161 -23.103 1.00 0.00 H new ATOM 166 N GLU A 47 18.871 -6.714 -18.955 1.00 0.00 N ATOM 167 CA GLU A 47 19.581 -6.567 -17.696 1.00 0.00 C ATOM 168 C GLU A 47 20.368 -7.842 -17.388 1.00 0.00 C ATOM 169 O GLU A 47 21.503 -7.770 -16.921 1.00 0.00 O ATOM 170 CB GLU A 47 18.584 -6.256 -16.574 1.00 0.00 C ATOM 171 CG GLU A 47 19.254 -5.372 -15.521 1.00 0.00 C ATOM 172 CD GLU A 47 19.240 -3.909 -15.952 1.00 0.00 C ATOM 173 OE1 GLU A 47 18.180 -3.270 -15.759 1.00 0.00 O ATOM 174 OE2 GLU A 47 20.287 -3.456 -16.466 1.00 0.00 O ATOM 0 H GLU A 47 17.855 -6.669 -18.872 1.00 0.00 H new ATOM 0 HA GLU A 47 20.287 -5.740 -17.771 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.708 -5.752 -16.982 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.235 -7.182 -16.117 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.737 -5.480 -14.567 1.00 0.00 H new ATOM 0 HG3 GLU A 47 20.282 -5.700 -15.365 1.00 0.00 H new ATOM 181 N ASP A 48 19.767 -9.009 -17.656 1.00 0.00 N ATOM 182 CA ASP A 48 20.427 -10.286 -17.421 1.00 0.00 C ATOM 183 C ASP A 48 21.620 -10.435 -18.367 1.00 0.00 C ATOM 184 O ASP A 48 22.670 -10.926 -17.963 1.00 0.00 O ATOM 185 CB ASP A 48 19.430 -11.432 -17.621 1.00 0.00 C ATOM 186 CG ASP A 48 18.376 -11.447 -16.520 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.771 -11.282 -15.345 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.191 -11.630 -16.868 1.00 0.00 O ATOM 0 H ASP A 48 18.824 -9.088 -18.036 1.00 0.00 H new ATOM 0 HA ASP A 48 20.792 -10.321 -16.395 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.944 -11.329 -18.591 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.963 -12.383 -17.631 1.00 0.00 H new ATOM 193 N GLU A 49 21.459 -10.004 -19.626 1.00 0.00 N ATOM 194 CA GLU A 49 22.532 -10.065 -20.609 1.00 0.00 C ATOM 195 C GLU A 49 23.685 -9.169 -20.157 1.00 0.00 C ATOM 196 O GLU A 49 24.852 -9.539 -20.292 1.00 0.00 O ATOM 197 CB GLU A 49 21.999 -9.628 -21.979 1.00 0.00 C ATOM 198 CG GLU A 49 21.143 -10.746 -22.581 1.00 0.00 C ATOM 199 CD GLU A 49 20.338 -10.239 -23.771 1.00 0.00 C ATOM 200 OE1 GLU A 49 19.263 -9.655 -23.524 1.00 0.00 O ATOM 201 OE2 GLU A 49 20.805 -10.449 -24.911 1.00 0.00 O ATOM 0 H GLU A 49 20.589 -9.609 -19.982 1.00 0.00 H new ATOM 0 HA GLU A 49 22.901 -11.087 -20.696 1.00 0.00 H new ATOM 0 HB2 GLU A 49 21.407 -8.719 -21.876 1.00 0.00 H new ATOM 0 HB3 GLU A 49 22.829 -9.394 -22.645 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.784 -11.570 -22.896 1.00 0.00 H new ATOM 0 HG3 GLU A 49 20.467 -11.140 -21.822 1.00 0.00 H new ATOM 208 N LYS A 50 23.357 -7.993 -19.608 1.00 0.00 N ATOM 209 CA LYS A 50 24.365 -7.077 -19.104 1.00 0.00 C ATOM 210 C LYS A 50 25.080 -7.721 -17.916 1.00 0.00 C ATOM 211 O LYS A 50 26.307 -7.720 -17.862 1.00 0.00 O ATOM 212 CB LYS A 50 23.708 -5.752 -18.697 1.00 0.00 C ATOM 213 CG LYS A 50 23.334 -4.952 -19.952 1.00 0.00 C ATOM 214 CD LYS A 50 22.381 -3.801 -19.593 1.00 0.00 C ATOM 215 CE LYS A 50 23.083 -2.781 -18.685 1.00 0.00 C ATOM 216 NZ LYS A 50 22.858 -3.085 -17.259 1.00 0.00 N ATOM 0 H LYS A 50 22.398 -7.661 -19.505 1.00 0.00 H new ATOM 0 HA LYS A 50 25.098 -6.866 -19.883 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.818 -5.945 -18.099 1.00 0.00 H new ATOM 0 HB3 LYS A 50 24.390 -5.173 -18.075 1.00 0.00 H new ATOM 0 HG2 LYS A 50 24.235 -4.554 -20.418 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.861 -5.609 -20.682 1.00 0.00 H new ATOM 0 HD2 LYS A 50 22.037 -3.309 -20.503 1.00 0.00 H new ATOM 0 HD3 LYS A 50 21.498 -4.196 -19.091 1.00 0.00 H new ATOM 0 HE2 LYS A 50 24.153 -2.781 -18.894 1.00 0.00 H new ATOM 0 HE3 LYS A 50 22.715 -1.780 -18.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 23.452 -2.463 -16.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 21.857 -2.929 -17.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 23.107 -4.077 -17.072 1.00 0.00 H new ATOM 230 N LEU A 51 24.308 -8.277 -16.967 1.00 0.00 N ATOM 231 CA LEU A 51 24.873 -8.926 -15.790 1.00 0.00 C ATOM 232 C LEU A 51 25.810 -10.055 -16.222 1.00 0.00 C ATOM 233 O LEU A 51 26.900 -10.194 -15.677 1.00 0.00 O ATOM 234 CB LEU A 51 23.738 -9.458 -14.899 1.00 0.00 C ATOM 235 CG LEU A 51 24.311 -10.124 -13.632 1.00 0.00 C ATOM 236 CD1 LEU A 51 25.185 -9.134 -12.864 1.00 0.00 C ATOM 237 CD2 LEU A 51 23.165 -10.571 -12.723 1.00 0.00 C ATOM 0 H LEU A 51 23.289 -8.286 -17.000 1.00 0.00 H new ATOM 0 HA LEU A 51 25.452 -8.204 -15.214 1.00 0.00 H new ATOM 0 HB2 LEU A 51 23.075 -8.640 -14.618 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.138 -10.178 -15.456 1.00 0.00 H new ATOM 0 HG LEU A 51 24.910 -10.984 -13.932 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.583 -9.617 -11.972 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.009 -8.808 -13.499 1.00 0.00 H new ATOM 0 HD13 LEU A 51 24.587 -8.270 -12.573 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.573 -11.041 -11.828 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.568 -9.705 -12.438 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.537 -11.286 -13.254 1.00 0.00 H new ATOM 249 N LYS A 52 25.382 -10.853 -17.209 1.00 0.00 N ATOM 250 CA LYS A 52 26.185 -11.951 -17.730 1.00 0.00 C ATOM 251 C LYS A 52 27.582 -11.450 -18.088 1.00 0.00 C ATOM 252 O LYS A 52 28.575 -11.960 -17.576 1.00 0.00 O ATOM 253 CB LYS A 52 25.503 -12.538 -18.978 1.00 0.00 C ATOM 254 CG LYS A 52 24.686 -13.783 -18.613 1.00 0.00 C ATOM 255 CD LYS A 52 25.608 -15.006 -18.461 1.00 0.00 C ATOM 256 CE LYS A 52 25.699 -15.785 -19.782 1.00 0.00 C ATOM 257 NZ LYS A 52 26.401 -15.013 -20.824 1.00 0.00 N ATOM 0 H LYS A 52 24.474 -10.751 -17.662 1.00 0.00 H new ATOM 0 HA LYS A 52 26.273 -12.726 -16.969 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.852 -11.789 -19.429 1.00 0.00 H new ATOM 0 HB3 LYS A 52 26.256 -12.796 -19.723 1.00 0.00 H new ATOM 0 HG2 LYS A 52 24.145 -13.610 -17.683 1.00 0.00 H new ATOM 0 HG3 LYS A 52 23.941 -13.975 -19.385 1.00 0.00 H new ATOM 0 HD2 LYS A 52 26.603 -14.682 -18.155 1.00 0.00 H new ATOM 0 HD3 LYS A 52 25.229 -15.658 -17.674 1.00 0.00 H new ATOM 0 HE2 LYS A 52 26.221 -16.727 -19.614 1.00 0.00 H new ATOM 0 HE3 LYS A 52 24.696 -16.034 -20.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 26.771 -15.662 -21.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 25.739 -14.344 -21.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 27.189 -14.487 -20.395 1.00 0.00 H new ATOM 271 N LYS A 53 27.654 -10.453 -18.977 1.00 0.00 N ATOM 272 CA LYS A 53 28.928 -9.927 -19.437 1.00 0.00 C ATOM 273 C LYS A 53 29.699 -9.276 -18.287 1.00 0.00 C ATOM 274 O LYS A 53 30.911 -9.448 -18.190 1.00 0.00 O ATOM 275 CB LYS A 53 28.683 -8.934 -20.585 1.00 0.00 C ATOM 276 CG LYS A 53 29.997 -8.639 -21.337 1.00 0.00 C ATOM 277 CD LYS A 53 30.153 -9.570 -22.555 1.00 0.00 C ATOM 278 CE LYS A 53 30.338 -11.020 -22.095 1.00 0.00 C ATOM 279 NZ LYS A 53 30.853 -11.876 -23.175 1.00 0.00 N ATOM 0 H LYS A 53 26.839 -9.999 -19.388 1.00 0.00 H new ATOM 0 HA LYS A 53 29.543 -10.747 -19.809 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.946 -9.343 -21.276 1.00 0.00 H new ATOM 0 HB3 LYS A 53 28.268 -8.007 -20.189 1.00 0.00 H new ATOM 0 HG2 LYS A 53 30.008 -7.600 -21.665 1.00 0.00 H new ATOM 0 HG3 LYS A 53 30.844 -8.770 -20.663 1.00 0.00 H new ATOM 0 HD2 LYS A 53 29.274 -9.494 -23.195 1.00 0.00 H new ATOM 0 HD3 LYS A 53 31.010 -9.258 -23.152 1.00 0.00 H new ATOM 0 HE2 LYS A 53 31.026 -11.048 -21.250 1.00 0.00 H new ATOM 0 HE3 LYS A 53 29.385 -11.414 -21.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 31.028 -12.832 -22.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 30.154 -11.924 -23.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 31.742 -11.477 -23.540 1.00 0.00 H new ATOM 293 N LEU A 54 29.009 -8.536 -17.415 1.00 0.00 N ATOM 294 CA LEU A 54 29.661 -7.886 -16.286 1.00 0.00 C ATOM 295 C LEU A 54 30.353 -8.933 -15.411 1.00 0.00 C ATOM 296 O LEU A 54 31.464 -8.703 -14.942 1.00 0.00 O ATOM 297 CB LEU A 54 28.631 -7.094 -15.474 1.00 0.00 C ATOM 298 CG LEU A 54 28.244 -5.806 -16.219 1.00 0.00 C ATOM 299 CD1 LEU A 54 26.913 -5.281 -15.675 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.327 -4.740 -16.017 1.00 0.00 C ATOM 0 H LEU A 54 28.003 -8.375 -17.473 1.00 0.00 H new ATOM 0 HA LEU A 54 30.416 -7.192 -16.656 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.744 -7.705 -15.304 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.041 -6.847 -14.495 1.00 0.00 H new ATOM 0 HG LEU A 54 28.147 -6.025 -17.282 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.639 -4.368 -16.203 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.138 -6.033 -15.823 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.013 -5.068 -14.611 1.00 0.00 H new ATOM 0 HD21 LEU A 54 29.046 -3.830 -16.548 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.430 -4.523 -14.954 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.277 -5.108 -16.406 1.00 0.00 H new ATOM 312 N VAL A 55 29.699 -10.083 -15.199 1.00 0.00 N ATOM 313 CA VAL A 55 30.265 -11.160 -14.398 1.00 0.00 C ATOM 314 C VAL A 55 31.437 -11.799 -15.148 1.00 0.00 C ATOM 315 O VAL A 55 32.490 -12.029 -14.562 1.00 0.00 O ATOM 316 CB VAL A 55 29.173 -12.196 -14.083 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.810 -13.482 -13.545 1.00 0.00 C ATOM 318 CG2 VAL A 55 28.220 -11.628 -13.028 1.00 0.00 C ATOM 0 H VAL A 55 28.773 -10.285 -15.576 1.00 0.00 H new ATOM 0 HA VAL A 55 30.641 -10.763 -13.455 1.00 0.00 H new ATOM 0 HB VAL A 55 28.623 -12.421 -14.997 1.00 0.00 H new ATOM 0 HG11 VAL A 55 29.029 -14.210 -13.325 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.488 -13.893 -14.293 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.366 -13.259 -12.634 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.446 -12.362 -12.804 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.777 -11.400 -12.119 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.758 -10.717 -13.408 1.00 0.00 H new ATOM 328 N GLU A 56 31.252 -12.082 -16.446 1.00 0.00 N ATOM 329 CA GLU A 56 32.300 -12.681 -17.266 1.00 0.00 C ATOM 330 C GLU A 56 33.570 -11.826 -17.203 1.00 0.00 C ATOM 331 O GLU A 56 34.675 -12.360 -17.125 1.00 0.00 O ATOM 332 CB GLU A 56 31.812 -12.802 -18.717 1.00 0.00 C ATOM 333 CG GLU A 56 30.812 -13.957 -18.847 1.00 0.00 C ATOM 334 CD GLU A 56 30.089 -13.907 -20.192 1.00 0.00 C ATOM 335 OE1 GLU A 56 30.796 -13.773 -21.218 1.00 0.00 O ATOM 336 OE2 GLU A 56 28.840 -14.002 -20.173 1.00 0.00 O ATOM 0 H GLU A 56 30.381 -11.903 -16.946 1.00 0.00 H new ATOM 0 HA GLU A 56 32.531 -13.675 -16.884 1.00 0.00 H new ATOM 0 HB2 GLU A 56 31.343 -11.869 -19.029 1.00 0.00 H new ATOM 0 HB3 GLU A 56 32.660 -12.970 -19.380 1.00 0.00 H new ATOM 0 HG2 GLU A 56 31.335 -14.908 -18.746 1.00 0.00 H new ATOM 0 HG3 GLU A 56 30.084 -13.906 -18.037 1.00 0.00 H new ATOM 343 N GLN A 57 33.406 -10.498 -17.243 1.00 0.00 N ATOM 344 CA GLN A 57 34.529 -9.573 -17.213 1.00 0.00 C ATOM 345 C GLN A 57 35.107 -9.467 -15.799 1.00 0.00 C ATOM 346 O GLN A 57 36.289 -9.733 -15.596 1.00 0.00 O ATOM 347 CB GLN A 57 34.061 -8.196 -17.705 1.00 0.00 C ATOM 348 CG GLN A 57 33.768 -8.243 -19.211 1.00 0.00 C ATOM 349 CD GLN A 57 35.039 -8.482 -20.020 1.00 0.00 C ATOM 350 OE1 GLN A 57 35.151 -9.485 -20.720 1.00 0.00 O ATOM 351 NE2 GLN A 57 35.996 -7.560 -19.924 1.00 0.00 N ATOM 0 H GLN A 57 32.494 -10.044 -17.297 1.00 0.00 H new ATOM 0 HA GLN A 57 35.316 -9.945 -17.869 1.00 0.00 H new ATOM 0 HB2 GLN A 57 33.166 -7.893 -17.162 1.00 0.00 H new ATOM 0 HB3 GLN A 57 34.827 -7.448 -17.499 1.00 0.00 H new ATOM 0 HG2 GLN A 57 33.049 -9.035 -19.418 1.00 0.00 H new ATOM 0 HG3 GLN A 57 33.308 -7.305 -19.523 1.00 0.00 H new ATOM 0 HE21 GLN A 57 35.859 -6.742 -19.330 1.00 0.00 H new ATOM 0 HE22 GLN A 57 36.866 -7.672 -20.445 1.00 0.00 H new ATOM 360 N ASN A 58 34.277 -9.065 -14.827 1.00 0.00 N ATOM 361 CA ASN A 58 34.725 -8.884 -13.451 1.00 0.00 C ATOM 362 C ASN A 58 34.792 -10.232 -12.735 1.00 0.00 C ATOM 363 O ASN A 58 35.868 -10.812 -12.603 1.00 0.00 O ATOM 364 CB ASN A 58 33.773 -7.925 -12.718 1.00 0.00 C ATOM 365 CG ASN A 58 33.812 -6.530 -13.335 1.00 0.00 C ATOM 366 OD1 ASN A 58 34.608 -5.690 -12.926 1.00 0.00 O ATOM 367 ND2 ASN A 58 32.945 -6.284 -14.318 1.00 0.00 N ATOM 0 H ASN A 58 33.289 -8.860 -14.975 1.00 0.00 H new ATOM 0 HA ASN A 58 35.725 -8.450 -13.453 1.00 0.00 H new ATOM 0 HB2 ASN A 58 32.756 -8.316 -12.760 1.00 0.00 H new ATOM 0 HB3 ASN A 58 34.050 -7.868 -11.665 1.00 0.00 H new ATOM 0 HD21 ASN A 58 32.925 -5.366 -14.763 1.00 0.00 H new ATOM 0 HD22 ASN A 58 32.302 -7.014 -14.625 1.00 0.00 H new ATOM 374 N GLY A 59 33.641 -10.724 -12.266 1.00 0.00 N ATOM 375 CA GLY A 59 33.566 -11.983 -11.548 1.00 0.00 C ATOM 376 C GLY A 59 32.331 -11.986 -10.656 1.00 0.00 C ATOM 377 O GLY A 59 31.303 -11.420 -11.022 1.00 0.00 O ATOM 0 H GLY A 59 32.742 -10.256 -12.377 1.00 0.00 H new ATOM 0 HA2 GLY A 59 33.521 -12.814 -12.252 1.00 0.00 H new ATOM 0 HA3 GLY A 59 34.463 -12.124 -10.946 1.00 0.00 H new ATOM 381 N THR A 60 32.437 -12.621 -9.483 1.00 0.00 N ATOM 382 CA THR A 60 31.336 -12.691 -8.527 1.00 0.00 C ATOM 383 C THR A 60 31.809 -12.205 -7.152 1.00 0.00 C ATOM 384 O THR A 60 31.185 -12.515 -6.139 1.00 0.00 O ATOM 385 CB THR A 60 30.823 -14.137 -8.451 1.00 0.00 C ATOM 386 OG1 THR A 60 31.901 -15.011 -8.184 1.00 0.00 O ATOM 387 CG2 THR A 60 30.172 -14.529 -9.779 1.00 0.00 C ATOM 0 H THR A 60 33.285 -13.097 -9.175 1.00 0.00 H new ATOM 0 HA THR A 60 30.520 -12.046 -8.853 1.00 0.00 H new ATOM 0 HB THR A 60 30.086 -14.210 -7.651 1.00 0.00 H new ATOM 0 HG1 THR A 60 31.571 -15.932 -8.134 1.00 0.00 H new ATOM 0 HG21 THR A 60 29.811 -15.556 -9.718 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.335 -13.861 -9.985 1.00 0.00 H new ATOM 0 HG23 THR A 60 30.906 -14.450 -10.581 1.00 0.00 H new ATOM 395 N ASP A 61 32.915 -11.444 -7.124 1.00 0.00 N ATOM 396 CA ASP A 61 33.474 -10.928 -5.883 1.00 0.00 C ATOM 397 C ASP A 61 32.868 -9.557 -5.568 1.00 0.00 C ATOM 398 O ASP A 61 31.919 -9.464 -4.789 1.00 0.00 O ATOM 399 CB ASP A 61 35.000 -10.853 -6.017 1.00 0.00 C ATOM 400 CG ASP A 61 35.630 -10.238 -4.773 1.00 0.00 C ATOM 401 OD1 ASP A 61 35.349 -10.765 -3.676 1.00 0.00 O ATOM 402 OD2 ASP A 61 36.379 -9.254 -4.945 1.00 0.00 O ATOM 0 H ASP A 61 33.437 -11.176 -7.958 1.00 0.00 H new ATOM 0 HA ASP A 61 33.231 -11.593 -5.054 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.404 -11.853 -6.177 1.00 0.00 H new ATOM 0 HB3 ASP A 61 35.263 -10.260 -6.893 1.00 0.00 H new ATOM 407 N ASP A 62 33.415 -8.492 -6.175 1.00 0.00 N ATOM 408 CA ASP A 62 32.928 -7.137 -5.953 1.00 0.00 C ATOM 409 C ASP A 62 31.589 -6.936 -6.662 1.00 0.00 C ATOM 410 O ASP A 62 31.541 -6.526 -7.824 1.00 0.00 O ATOM 411 CB ASP A 62 33.978 -6.118 -6.434 1.00 0.00 C ATOM 412 CG ASP A 62 34.403 -5.198 -5.296 1.00 0.00 C ATOM 413 OD1 ASP A 62 33.500 -4.530 -4.743 1.00 0.00 O ATOM 414 OD2 ASP A 62 35.616 -5.175 -5.003 1.00 0.00 O ATOM 0 H ASP A 62 34.199 -8.552 -6.825 1.00 0.00 H new ATOM 0 HA ASP A 62 32.767 -6.980 -4.886 1.00 0.00 H new ATOM 0 HB2 ASP A 62 34.848 -6.644 -6.826 1.00 0.00 H new ATOM 0 HB3 ASP A 62 33.568 -5.526 -7.252 1.00 0.00 H new ATOM 419 N TRP A 63 30.496 -7.221 -5.952 1.00 0.00 N ATOM 420 CA TRP A 63 29.161 -7.055 -6.495 1.00 0.00 C ATOM 421 C TRP A 63 28.795 -5.573 -6.552 1.00 0.00 C ATOM 422 O TRP A 63 27.931 -5.184 -7.332 1.00 0.00 O ATOM 423 CB TRP A 63 28.166 -7.844 -5.645 1.00 0.00 C ATOM 424 CG TRP A 63 28.147 -9.306 -5.952 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.460 -10.299 -5.100 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.815 -9.965 -7.208 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.353 -11.525 -5.715 1.00 0.00 N ATOM 428 CE2 TRP A 63 27.956 -11.378 -7.031 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.411 -9.518 -8.489 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.714 -12.287 -8.063 1.00 0.00 C ATOM 431 CZ3 TRP A 63 27.165 -10.432 -9.526 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.318 -11.812 -9.317 1.00 0.00 C ATOM 0 H TRP A 63 30.518 -7.570 -4.994 1.00 0.00 H new ATOM 0 HA TRP A 63 29.127 -7.442 -7.513 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.410 -7.705 -4.592 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.167 -7.436 -5.797 1.00 0.00 H new ATOM 0 HD1 TRP A 63 28.756 -10.153 -4.071 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.541 -12.419 -5.262 1.00 0.00 H new ATOM 0 HE3 TRP A 63 27.290 -8.460 -8.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 27.832 -13.347 -7.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.855 -10.070 -10.495 1.00 0.00 H new ATOM 0 HH2 TRP A 63 27.130 -12.505 -10.123 1.00 0.00 H new ATOM 443 N LYS A 64 29.458 -4.742 -5.736 1.00 0.00 N ATOM 444 CA LYS A 64 29.207 -3.310 -5.735 1.00 0.00 C ATOM 445 C LYS A 64 29.638 -2.720 -7.077 1.00 0.00 C ATOM 446 O LYS A 64 28.927 -1.898 -7.652 1.00 0.00 O ATOM 447 CB LYS A 64 29.967 -2.659 -4.571 1.00 0.00 C ATOM 448 CG LYS A 64 29.476 -1.218 -4.361 1.00 0.00 C ATOM 449 CD LYS A 64 30.403 -0.231 -5.086 1.00 0.00 C ATOM 450 CE LYS A 64 29.883 1.199 -4.910 1.00 0.00 C ATOM 451 NZ LYS A 64 28.576 1.381 -5.571 1.00 0.00 N ATOM 0 H LYS A 64 30.170 -5.045 -5.072 1.00 0.00 H new ATOM 0 HA LYS A 64 28.143 -3.114 -5.600 1.00 0.00 H new ATOM 0 HB2 LYS A 64 29.819 -3.239 -3.660 1.00 0.00 H new ATOM 0 HB3 LYS A 64 31.037 -2.660 -4.779 1.00 0.00 H new ATOM 0 HG2 LYS A 64 28.458 -1.115 -4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 64 29.448 -0.987 -3.296 1.00 0.00 H new ATOM 0 HD2 LYS A 64 31.415 -0.311 -4.689 1.00 0.00 H new ATOM 0 HD3 LYS A 64 30.456 -0.480 -6.146 1.00 0.00 H new ATOM 0 HE2 LYS A 64 29.790 1.426 -3.848 1.00 0.00 H new ATOM 0 HE3 LYS A 64 30.604 1.904 -5.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 28.346 2.394 -5.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 28.619 0.996 -6.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 27.841 0.881 -5.031 1.00 0.00 H new ATOM 465 N VAL A 65 30.806 -3.146 -7.576 1.00 0.00 N ATOM 466 CA VAL A 65 31.321 -2.671 -8.851 1.00 0.00 C ATOM 467 C VAL A 65 30.334 -3.028 -9.959 1.00 0.00 C ATOM 468 O VAL A 65 29.991 -2.188 -10.783 1.00 0.00 O ATOM 469 CB VAL A 65 32.694 -3.306 -9.119 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.208 -2.876 -10.498 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.690 -2.856 -8.047 1.00 0.00 C ATOM 0 H VAL A 65 31.409 -3.822 -7.107 1.00 0.00 H new ATOM 0 HA VAL A 65 31.440 -1.588 -8.824 1.00 0.00 H new ATOM 0 HB VAL A 65 32.593 -4.391 -9.092 1.00 0.00 H new ATOM 0 HG11 VAL A 65 34.182 -3.330 -10.681 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.506 -3.201 -11.266 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.302 -1.791 -10.529 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.662 -3.309 -8.241 1.00 0.00 H new ATOM 0 HG22 VAL A 65 33.784 -1.770 -8.070 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.334 -3.168 -7.065 1.00 0.00 H new ATOM 481 N ILE A 66 29.881 -4.283 -9.967 1.00 0.00 N ATOM 482 CA ILE A 66 28.944 -4.768 -10.967 1.00 0.00 C ATOM 483 C ILE A 66 27.623 -3.993 -10.871 1.00 0.00 C ATOM 484 O ILE A 66 27.053 -3.610 -11.894 1.00 0.00 O ATOM 485 CB ILE A 66 28.734 -6.278 -10.750 1.00 0.00 C ATOM 486 CG1 ILE A 66 30.042 -7.017 -11.081 1.00 0.00 C ATOM 487 CG2 ILE A 66 27.605 -6.784 -11.654 1.00 0.00 C ATOM 488 CD1 ILE A 66 30.028 -8.429 -10.497 1.00 0.00 C ATOM 0 H ILE A 66 30.156 -4.985 -9.280 1.00 0.00 H new ATOM 0 HA ILE A 66 29.341 -4.608 -11.970 1.00 0.00 H new ATOM 0 HB ILE A 66 28.460 -6.465 -9.712 1.00 0.00 H new ATOM 0 HG12 ILE A 66 30.174 -7.067 -12.162 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.890 -6.461 -10.682 1.00 0.00 H new ATOM 0 HG21 ILE A 66 27.463 -7.853 -11.495 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.682 -6.255 -11.414 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.866 -6.604 -12.697 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.962 -8.934 -10.743 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.920 -8.374 -9.414 1.00 0.00 H new ATOM 0 HD13 ILE A 66 29.192 -8.988 -10.917 1.00 0.00 H new ATOM 500 N ALA A 67 27.144 -3.764 -9.641 1.00 0.00 N ATOM 501 CA ALA A 67 25.888 -3.060 -9.404 1.00 0.00 C ATOM 502 C ALA A 67 25.903 -1.657 -10.023 1.00 0.00 C ATOM 503 O ALA A 67 24.853 -1.148 -10.406 1.00 0.00 O ATOM 504 CB ALA A 67 25.638 -2.974 -7.898 1.00 0.00 C ATOM 0 H ALA A 67 27.618 -4.062 -8.789 1.00 0.00 H new ATOM 0 HA ALA A 67 25.082 -3.617 -9.882 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.701 -2.449 -7.714 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.579 -3.979 -7.481 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.456 -2.432 -7.424 1.00 0.00 H new ATOM 510 N ASN A 68 27.084 -1.026 -10.120 1.00 0.00 N ATOM 511 CA ASN A 68 27.192 0.321 -10.681 1.00 0.00 C ATOM 512 C ASN A 68 26.617 0.362 -12.101 1.00 0.00 C ATOM 513 O ASN A 68 26.005 1.353 -12.490 1.00 0.00 O ATOM 514 CB ASN A 68 28.659 0.768 -10.702 1.00 0.00 C ATOM 515 CG ASN A 68 29.243 0.874 -9.295 1.00 0.00 C ATOM 516 OD1 ASN A 68 28.509 0.988 -8.314 1.00 0.00 O ATOM 517 ND2 ASN A 68 30.571 0.842 -9.197 1.00 0.00 N ATOM 0 H ASN A 68 27.971 -1.429 -9.817 1.00 0.00 H new ATOM 0 HA ASN A 68 26.619 1.002 -10.052 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.246 0.059 -11.286 1.00 0.00 H new ATOM 0 HB3 ASN A 68 28.737 1.734 -11.201 1.00 0.00 H new ATOM 0 HD21 ASN A 68 31.017 0.913 -8.282 1.00 0.00 H new ATOM 0 HD22 ASN A 68 31.142 0.746 -10.037 1.00 0.00 H new ATOM 524 N TYR A 69 26.822 -0.714 -12.874 1.00 0.00 N ATOM 525 CA TYR A 69 26.357 -0.781 -14.257 1.00 0.00 C ATOM 526 C TYR A 69 24.934 -1.353 -14.335 1.00 0.00 C ATOM 527 O TYR A 69 24.433 -1.613 -15.433 1.00 0.00 O ATOM 528 CB TYR A 69 27.328 -1.649 -15.058 1.00 0.00 C ATOM 529 CG TYR A 69 28.770 -1.202 -14.934 1.00 0.00 C ATOM 530 CD1 TYR A 69 29.258 -0.162 -15.745 1.00 0.00 C ATOM 531 CD2 TYR A 69 29.622 -1.823 -14.003 1.00 0.00 C ATOM 532 CE1 TYR A 69 30.594 0.255 -15.626 1.00 0.00 C ATOM 533 CE2 TYR A 69 30.958 -1.406 -13.884 1.00 0.00 C ATOM 534 CZ TYR A 69 31.444 -0.367 -14.695 1.00 0.00 C ATOM 535 OH TYR A 69 32.741 0.039 -14.580 1.00 0.00 O ATOM 0 H TYR A 69 27.310 -1.552 -12.558 1.00 0.00 H new ATOM 0 HA TYR A 69 26.327 0.225 -14.676 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.244 -2.682 -14.721 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.038 -1.632 -16.109 1.00 0.00 H new ATOM 0 HD1 TYR A 69 28.605 0.316 -16.460 1.00 0.00 H new ATOM 0 HD2 TYR A 69 29.249 -2.621 -13.379 1.00 0.00 H new ATOM 0 HE1 TYR A 69 30.968 1.053 -16.250 1.00 0.00 H new ATOM 0 HE2 TYR A 69 31.611 -1.884 -13.169 1.00 0.00 H new ATOM 0 HH TYR A 69 33.190 -0.493 -13.890 1.00 0.00 H new ATOM 545 N LEU A 70 24.286 -1.552 -13.176 1.00 0.00 N ATOM 546 CA LEU A 70 22.934 -2.094 -13.111 1.00 0.00 C ATOM 547 C LEU A 70 22.085 -1.200 -12.201 1.00 0.00 C ATOM 548 O LEU A 70 21.950 -1.485 -11.012 1.00 0.00 O ATOM 549 CB LEU A 70 22.988 -3.524 -12.558 1.00 0.00 C ATOM 550 CG LEU A 70 23.757 -4.444 -13.519 1.00 0.00 C ATOM 551 CD1 LEU A 70 24.419 -5.565 -12.729 1.00 0.00 C ATOM 552 CD2 LEU A 70 22.794 -5.048 -14.538 1.00 0.00 C ATOM 0 H LEU A 70 24.690 -1.340 -12.264 1.00 0.00 H new ATOM 0 HA LEU A 70 22.488 -2.119 -14.105 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.471 -3.524 -11.581 1.00 0.00 H new ATOM 0 HB3 LEU A 70 21.976 -3.903 -12.414 1.00 0.00 H new ATOM 0 HG LEU A 70 24.518 -3.862 -14.039 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.964 -6.218 -13.411 1.00 0.00 H new ATOM 0 HD12 LEU A 70 25.111 -5.139 -12.003 1.00 0.00 H new ATOM 0 HD13 LEU A 70 23.656 -6.142 -12.207 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.344 -5.699 -15.217 1.00 0.00 H new ATOM 0 HD22 LEU A 70 22.031 -5.627 -14.018 1.00 0.00 H new ATOM 0 HD23 LEU A 70 22.319 -4.249 -15.107 1.00 0.00 H new ATOM 564 N PRO A 71 21.514 -0.109 -12.751 1.00 0.00 N ATOM 565 CA PRO A 71 20.723 0.830 -11.982 1.00 0.00 C ATOM 566 C PRO A 71 19.616 0.118 -11.205 1.00 0.00 C ATOM 567 O PRO A 71 18.987 -0.804 -11.722 1.00 0.00 O ATOM 568 CB PRO A 71 20.152 1.824 -12.996 1.00 0.00 C ATOM 569 CG PRO A 71 20.846 1.538 -14.334 1.00 0.00 C ATOM 570 CD PRO A 71 21.634 0.241 -14.153 1.00 0.00 C ATOM 0 HA PRO A 71 21.327 1.339 -11.231 1.00 0.00 H new ATOM 0 HB2 PRO A 71 19.072 1.706 -13.087 1.00 0.00 H new ATOM 0 HB3 PRO A 71 20.335 2.850 -12.677 1.00 0.00 H new ATOM 0 HG2 PRO A 71 20.114 1.437 -15.136 1.00 0.00 H new ATOM 0 HG3 PRO A 71 21.509 2.358 -14.609 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.234 -0.550 -14.788 1.00 0.00 H new ATOM 0 HD3 PRO A 71 22.679 0.377 -14.433 1.00 0.00 H new ATOM 578 N ASN A 72 19.394 0.561 -9.954 1.00 0.00 N ATOM 579 CA ASN A 72 18.364 0.016 -9.061 1.00 0.00 C ATOM 580 C ASN A 72 18.776 -1.348 -8.488 1.00 0.00 C ATOM 581 O ASN A 72 18.386 -1.679 -7.370 1.00 0.00 O ATOM 582 CB ASN A 72 17.007 -0.085 -9.780 1.00 0.00 C ATOM 583 CG ASN A 72 16.663 1.214 -10.504 1.00 0.00 C ATOM 584 OD1 ASN A 72 16.605 1.248 -11.730 1.00 0.00 O ATOM 585 ND2 ASN A 72 16.435 2.284 -9.742 1.00 0.00 N ATOM 0 H ASN A 72 19.934 1.317 -9.533 1.00 0.00 H new ATOM 0 HA ASN A 72 18.259 0.709 -8.226 1.00 0.00 H new ATOM 0 HB2 ASN A 72 17.033 -0.907 -10.496 1.00 0.00 H new ATOM 0 HB3 ASN A 72 16.226 -0.318 -9.056 1.00 0.00 H new ATOM 0 HD21 ASN A 72 16.201 3.178 -10.175 1.00 0.00 H new ATOM 0 HD22 ASN A 72 16.494 2.209 -8.727 1.00 0.00 H new ATOM 592 N ARG A 73 19.553 -2.143 -9.239 1.00 0.00 N ATOM 593 CA ARG A 73 19.963 -3.461 -8.775 1.00 0.00 C ATOM 594 C ARG A 73 21.134 -3.316 -7.805 1.00 0.00 C ATOM 595 O ARG A 73 22.263 -3.074 -8.224 1.00 0.00 O ATOM 596 CB ARG A 73 20.362 -4.357 -9.961 1.00 0.00 C ATOM 597 CG ARG A 73 19.404 -4.179 -11.150 1.00 0.00 C ATOM 598 CD ARG A 73 17.939 -4.267 -10.691 1.00 0.00 C ATOM 599 NE ARG A 73 17.044 -4.622 -11.804 1.00 0.00 N ATOM 600 CZ ARG A 73 17.025 -3.975 -12.984 1.00 0.00 C ATOM 601 NH1 ARG A 73 17.683 -2.821 -13.150 1.00 0.00 N ATOM 602 NH2 ARG A 73 16.344 -4.494 -14.008 1.00 0.00 N ATOM 0 H ARG A 73 19.904 -1.891 -10.163 1.00 0.00 H new ATOM 0 HA ARG A 73 19.124 -3.932 -8.263 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.379 -4.118 -10.273 1.00 0.00 H new ATOM 0 HB3 ARG A 73 20.362 -5.400 -9.646 1.00 0.00 H new ATOM 0 HG2 ARG A 73 19.583 -3.215 -11.626 1.00 0.00 H new ATOM 0 HG3 ARG A 73 19.601 -4.946 -11.899 1.00 0.00 H new ATOM 0 HD2 ARG A 73 17.849 -5.011 -9.899 1.00 0.00 H new ATOM 0 HD3 ARG A 73 17.632 -3.311 -10.267 1.00 0.00 H new ATOM 0 HE ARG A 73 16.401 -5.403 -11.674 1.00 0.00 H new ATOM 0 HH11 ARG A 73 18.210 -2.418 -12.375 1.00 0.00 H new ATOM 0 HH12 ARG A 73 17.657 -2.344 -14.051 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.843 -5.375 -13.893 1.00 0.00 H new ATOM 0 HH22 ARG A 73 16.325 -4.010 -14.905 1.00 0.00 H new ATOM 616 N THR A 74 20.860 -3.468 -6.506 1.00 0.00 N ATOM 617 CA THR A 74 21.892 -3.370 -5.484 1.00 0.00 C ATOM 618 C THR A 74 22.854 -4.553 -5.605 1.00 0.00 C ATOM 619 O THR A 74 22.600 -5.491 -6.360 1.00 0.00 O ATOM 620 CB THR A 74 21.236 -3.357 -4.096 1.00 0.00 C ATOM 621 OG1 THR A 74 20.498 -4.549 -3.910 1.00 0.00 O ATOM 622 CG2 THR A 74 20.301 -2.152 -3.969 1.00 0.00 C ATOM 0 H THR A 74 19.927 -3.660 -6.142 1.00 0.00 H new ATOM 0 HA THR A 74 22.455 -2.447 -5.620 1.00 0.00 H new ATOM 0 HB THR A 74 22.014 -3.286 -3.336 1.00 0.00 H new ATOM 0 HG1 THR A 74 20.081 -4.541 -3.023 1.00 0.00 H new ATOM 0 HG21 THR A 74 19.840 -2.151 -2.981 1.00 0.00 H new ATOM 0 HG22 THR A 74 20.871 -1.233 -4.104 1.00 0.00 H new ATOM 0 HG23 THR A 74 19.524 -2.212 -4.731 1.00 0.00 H new ATOM 630 N ASP A 75 23.954 -4.513 -4.849 1.00 0.00 N ATOM 631 CA ASP A 75 24.928 -5.594 -4.843 1.00 0.00 C ATOM 632 C ASP A 75 24.243 -6.886 -4.398 1.00 0.00 C ATOM 633 O ASP A 75 24.508 -7.949 -4.952 1.00 0.00 O ATOM 634 CB ASP A 75 26.085 -5.230 -3.904 1.00 0.00 C ATOM 635 CG ASP A 75 25.584 -4.917 -2.498 1.00 0.00 C ATOM 636 OD1 ASP A 75 24.889 -3.884 -2.359 1.00 0.00 O ATOM 637 OD2 ASP A 75 25.902 -5.715 -1.591 1.00 0.00 O ATOM 0 H ASP A 75 24.188 -3.736 -4.231 1.00 0.00 H new ATOM 0 HA ASP A 75 25.332 -5.744 -5.844 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.796 -6.055 -3.863 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.620 -4.368 -4.301 1.00 0.00 H new ATOM 642 N VAL A 76 23.349 -6.786 -3.403 1.00 0.00 N ATOM 643 CA VAL A 76 22.605 -7.935 -2.917 1.00 0.00 C ATOM 644 C VAL A 76 21.704 -8.463 -4.031 1.00 0.00 C ATOM 645 O VAL A 76 21.637 -9.668 -4.251 1.00 0.00 O ATOM 646 CB VAL A 76 21.776 -7.531 -1.686 1.00 0.00 C ATOM 647 CG1 VAL A 76 20.802 -8.657 -1.317 1.00 0.00 C ATOM 648 CG2 VAL A 76 22.708 -7.268 -0.502 1.00 0.00 C ATOM 0 H VAL A 76 23.130 -5.913 -2.924 1.00 0.00 H new ATOM 0 HA VAL A 76 23.294 -8.726 -2.622 1.00 0.00 H new ATOM 0 HB VAL A 76 21.214 -6.627 -1.921 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.219 -8.362 -0.444 1.00 0.00 H new ATOM 0 HG12 VAL A 76 20.131 -8.847 -2.155 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.363 -9.563 -1.089 1.00 0.00 H new ATOM 0 HG21 VAL A 76 22.118 -6.982 0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 76 23.273 -8.172 -0.276 1.00 0.00 H new ATOM 0 HG23 VAL A 76 23.398 -6.462 -0.754 1.00 0.00 H new ATOM 658 N GLN A 77 21.009 -7.556 -4.733 1.00 0.00 N ATOM 659 CA GLN A 77 20.112 -7.940 -5.814 1.00 0.00 C ATOM 660 C GLN A 77 20.891 -8.664 -6.913 1.00 0.00 C ATOM 661 O GLN A 77 20.457 -9.708 -7.389 1.00 0.00 O ATOM 662 CB GLN A 77 19.421 -6.691 -6.373 1.00 0.00 C ATOM 663 CG GLN A 77 18.264 -7.097 -7.297 1.00 0.00 C ATOM 664 CD GLN A 77 16.917 -6.915 -6.607 1.00 0.00 C ATOM 665 OE1 GLN A 77 16.088 -6.132 -7.062 1.00 0.00 O ATOM 666 NE2 GLN A 77 16.697 -7.638 -5.509 1.00 0.00 N ATOM 0 H GLN A 77 21.056 -6.551 -4.565 1.00 0.00 H new ATOM 0 HA GLN A 77 19.353 -8.621 -5.430 1.00 0.00 H new ATOM 0 HB2 GLN A 77 19.045 -6.077 -5.555 1.00 0.00 H new ATOM 0 HB3 GLN A 77 20.140 -6.084 -6.923 1.00 0.00 H new ATOM 0 HG2 GLN A 77 18.294 -6.497 -8.206 1.00 0.00 H new ATOM 0 HG3 GLN A 77 18.384 -8.138 -7.598 1.00 0.00 H new ATOM 0 HE21 GLN A 77 17.415 -8.277 -5.167 1.00 0.00 H new ATOM 0 HE22 GLN A 77 15.811 -7.553 -5.011 1.00 0.00 H new ATOM 675 N CYS A 78 22.040 -8.108 -7.312 1.00 0.00 N ATOM 676 CA CYS A 78 22.869 -8.704 -8.352 1.00 0.00 C ATOM 677 C CYS A 78 23.372 -10.069 -7.890 1.00 0.00 C ATOM 678 O CYS A 78 23.313 -11.043 -8.641 1.00 0.00 O ATOM 679 CB CYS A 78 24.046 -7.776 -8.666 1.00 0.00 C ATOM 680 SG CYS A 78 23.421 -6.275 -9.463 1.00 0.00 S ATOM 0 H CYS A 78 22.414 -7.242 -6.925 1.00 0.00 H new ATOM 0 HA CYS A 78 22.278 -8.839 -9.258 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.579 -7.521 -7.750 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.758 -8.280 -9.319 1.00 0.00 H new ATOM 0 HG CYS A 78 22.906 -5.489 -8.565 1.00 0.00 H new ATOM 686 N GLN A 79 23.865 -10.134 -6.649 1.00 0.00 N ATOM 687 CA GLN A 79 24.375 -11.368 -6.078 1.00 0.00 C ATOM 688 C GLN A 79 23.294 -12.445 -6.105 1.00 0.00 C ATOM 689 O GLN A 79 23.551 -13.563 -6.530 1.00 0.00 O ATOM 690 CB GLN A 79 24.846 -11.102 -4.645 1.00 0.00 C ATOM 691 CG GLN A 79 25.404 -12.388 -4.032 1.00 0.00 C ATOM 692 CD GLN A 79 26.096 -12.099 -2.707 1.00 0.00 C ATOM 693 OE1 GLN A 79 27.311 -12.239 -2.595 1.00 0.00 O ATOM 694 NE2 GLN A 79 25.321 -11.693 -1.701 1.00 0.00 N ATOM 0 H GLN A 79 23.918 -9.332 -6.021 1.00 0.00 H new ATOM 0 HA GLN A 79 25.220 -11.725 -6.667 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.612 -10.326 -4.643 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.016 -10.732 -4.043 1.00 0.00 H new ATOM 0 HG2 GLN A 79 24.596 -13.103 -3.877 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.110 -12.849 -4.723 1.00 0.00 H new ATOM 0 HE21 GLN A 79 24.316 -11.591 -1.841 1.00 0.00 H new ATOM 0 HE22 GLN A 79 25.733 -11.484 -0.792 1.00 0.00 H new ATOM 703 N HIS A 80 22.084 -12.104 -5.651 1.00 0.00 N ATOM 704 CA HIS A 80 20.977 -13.048 -5.626 1.00 0.00 C ATOM 705 C HIS A 80 20.575 -13.428 -7.045 1.00 0.00 C ATOM 706 O HIS A 80 20.324 -14.593 -7.322 1.00 0.00 O ATOM 707 CB HIS A 80 19.788 -12.434 -4.878 1.00 0.00 C ATOM 708 CG HIS A 80 19.659 -12.954 -3.471 1.00 0.00 C ATOM 709 ND1 HIS A 80 18.465 -12.905 -2.765 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.552 -13.548 -2.613 1.00 0.00 C ATOM 711 CE1 HIS A 80 18.702 -13.460 -1.562 1.00 0.00 C ATOM 712 NE2 HIS A 80 19.959 -13.880 -1.405 1.00 0.00 N ATOM 0 H HIS A 80 21.852 -11.176 -5.296 1.00 0.00 H new ATOM 0 HA HIS A 80 21.292 -13.952 -5.105 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.900 -11.350 -4.852 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.870 -12.646 -5.426 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.589 -13.734 -2.850 1.00 0.00 H new ATOM 0 HE1 HIS A 80 17.947 -13.556 -0.796 1.00 0.00 H new ATOM 0 HE2 HIS A 80 20.380 -14.334 -0.595 1.00 0.00 H new ATOM 720 N ARG A 81 20.508 -12.451 -7.947 1.00 0.00 N ATOM 721 CA ARG A 81 20.126 -12.721 -9.317 1.00 0.00 C ATOM 722 C ARG A 81 21.083 -13.742 -9.924 1.00 0.00 C ATOM 723 O ARG A 81 20.655 -14.602 -10.676 1.00 0.00 O ATOM 724 CB ARG A 81 20.121 -11.415 -10.128 1.00 0.00 C ATOM 725 CG ARG A 81 19.706 -11.682 -11.588 1.00 0.00 C ATOM 726 CD ARG A 81 18.302 -12.298 -11.640 1.00 0.00 C ATOM 727 NE ARG A 81 17.772 -12.307 -13.011 1.00 0.00 N ATOM 728 CZ ARG A 81 16.531 -12.733 -13.311 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.738 -13.222 -12.346 1.00 0.00 N ATOM 730 NH2 ARG A 81 16.082 -12.670 -14.570 1.00 0.00 N ATOM 0 H ARG A 81 20.714 -11.472 -7.748 1.00 0.00 H new ATOM 0 HA ARG A 81 19.119 -13.137 -9.341 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.433 -10.702 -9.674 1.00 0.00 H new ATOM 0 HB3 ARG A 81 21.112 -10.962 -10.103 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.723 -10.750 -12.154 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.423 -12.354 -12.060 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.335 -13.317 -11.254 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.631 -11.734 -10.992 1.00 0.00 H new ATOM 0 HE ARG A 81 18.371 -11.976 -13.768 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.075 -13.271 -11.385 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.798 -13.545 -12.574 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.681 -12.298 -15.307 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.141 -12.994 -14.793 1.00 0.00 H new ATOM 744 N TRP A 82 22.380 -13.648 -9.602 1.00 0.00 N ATOM 745 CA TRP A 82 23.361 -14.557 -10.164 1.00 0.00 C ATOM 746 C TRP A 82 23.488 -15.842 -9.333 1.00 0.00 C ATOM 747 O TRP A 82 23.149 -16.923 -9.815 1.00 0.00 O ATOM 748 CB TRP A 82 24.715 -13.864 -10.281 1.00 0.00 C ATOM 749 CG TRP A 82 25.723 -14.684 -11.016 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.702 -15.414 -10.459 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.845 -14.909 -12.450 1.00 0.00 C ATOM 752 NE1 TRP A 82 27.420 -16.084 -11.415 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.932 -15.810 -12.676 1.00 0.00 C ATOM 754 CE3 TRP A 82 25.144 -14.455 -13.590 1.00 0.00 C ATOM 755 CZ2 TRP A 82 27.300 -16.236 -13.953 1.00 0.00 C ATOM 756 CZ3 TRP A 82 25.514 -14.882 -14.882 1.00 0.00 C ATOM 757 CH2 TRP A 82 26.588 -15.773 -15.061 1.00 0.00 C ATOM 0 H TRP A 82 22.762 -12.954 -8.960 1.00 0.00 H new ATOM 0 HA TRP A 82 23.018 -14.842 -11.159 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.587 -12.910 -10.792 1.00 0.00 H new ATOM 0 HB3 TRP A 82 25.092 -13.642 -9.283 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.898 -15.466 -9.398 1.00 0.00 H new ATOM 0 HE1 TRP A 82 28.208 -16.701 -11.221 1.00 0.00 H new ATOM 0 HE3 TRP A 82 24.315 -13.773 -13.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 28.128 -16.917 -14.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 24.968 -14.522 -15.742 1.00 0.00 H new ATOM 0 HH2 TRP A 82 26.861 -16.098 -16.054 1.00 0.00 H new ATOM 768 N GLN A 83 24.000 -15.723 -8.096 1.00 0.00 N ATOM 769 CA GLN A 83 24.270 -16.877 -7.234 1.00 0.00 C ATOM 770 C GLN A 83 22.987 -17.449 -6.620 1.00 0.00 C ATOM 771 O GLN A 83 22.955 -17.746 -5.425 1.00 0.00 O ATOM 772 CB GLN A 83 25.244 -16.456 -6.119 1.00 0.00 C ATOM 773 CG GLN A 83 26.543 -15.916 -6.724 1.00 0.00 C ATOM 774 CD GLN A 83 27.569 -15.601 -5.637 1.00 0.00 C ATOM 775 OE1 GLN A 83 27.960 -14.450 -5.464 1.00 0.00 O ATOM 776 NE2 GLN A 83 28.006 -16.628 -4.907 1.00 0.00 N ATOM 0 H GLN A 83 24.236 -14.826 -7.671 1.00 0.00 H new ATOM 0 HA GLN A 83 24.713 -17.662 -7.847 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.782 -15.693 -5.492 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.461 -17.309 -5.476 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.957 -16.649 -7.417 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.332 -15.015 -7.301 1.00 0.00 H new ATOM 0 HE21 GLN A 83 27.653 -17.568 -5.086 1.00 0.00 H new ATOM 0 HE22 GLN A 83 28.693 -16.473 -4.169 1.00 0.00 H new ATOM 785 N LYS A 84 21.934 -17.616 -7.425 1.00 0.00 N ATOM 786 CA LYS A 84 20.690 -18.199 -6.940 1.00 0.00 C ATOM 787 C LYS A 84 19.823 -18.722 -8.098 1.00 0.00 C ATOM 788 O LYS A 84 18.733 -19.234 -7.850 1.00 0.00 O ATOM 789 CB LYS A 84 19.929 -17.153 -6.111 1.00 0.00 C ATOM 790 CG LYS A 84 19.330 -17.803 -4.863 1.00 0.00 C ATOM 791 CD LYS A 84 18.527 -16.756 -4.081 1.00 0.00 C ATOM 792 CE LYS A 84 18.430 -17.161 -2.606 1.00 0.00 C ATOM 793 NZ LYS A 84 19.674 -16.837 -1.880 1.00 0.00 N ATOM 0 H LYS A 84 21.922 -17.355 -8.411 1.00 0.00 H new ATOM 0 HA LYS A 84 20.927 -19.055 -6.309 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.603 -16.347 -5.822 1.00 0.00 H new ATOM 0 HB3 LYS A 84 19.138 -16.707 -6.713 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.685 -18.635 -5.146 1.00 0.00 H new ATOM 0 HG3 LYS A 84 20.122 -18.213 -4.236 1.00 0.00 H new ATOM 0 HD2 LYS A 84 19.005 -15.780 -4.168 1.00 0.00 H new ATOM 0 HD3 LYS A 84 17.528 -16.660 -4.506 1.00 0.00 H new ATOM 0 HE2 LYS A 84 17.589 -16.647 -2.140 1.00 0.00 H new ATOM 0 HE3 LYS A 84 18.231 -18.230 -2.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 19.670 -17.312 -0.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 20.493 -17.162 -2.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 19.737 -15.808 -1.740 1.00 0.00 H new ATOM 807 N VAL A 85 20.291 -18.602 -9.360 1.00 0.00 N ATOM 808 CA VAL A 85 19.521 -19.080 -10.504 1.00 0.00 C ATOM 809 C VAL A 85 20.409 -19.191 -11.760 1.00 0.00 C ATOM 810 O VAL A 85 20.352 -20.208 -12.449 1.00 0.00 O ATOM 811 CB VAL A 85 18.286 -18.173 -10.729 1.00 0.00 C ATOM 812 CG1 VAL A 85 18.666 -16.695 -10.638 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.668 -18.458 -12.102 1.00 0.00 C ATOM 0 H VAL A 85 21.189 -18.182 -9.599 1.00 0.00 H new ATOM 0 HA VAL A 85 19.155 -20.085 -10.294 1.00 0.00 H new ATOM 0 HB VAL A 85 17.559 -18.394 -9.947 1.00 0.00 H new ATOM 0 HG11 VAL A 85 17.780 -16.081 -10.800 1.00 0.00 H new ATOM 0 HG12 VAL A 85 19.077 -16.485 -9.651 1.00 0.00 H new ATOM 0 HG13 VAL A 85 19.412 -16.464 -11.399 1.00 0.00 H new ATOM 0 HG21 VAL A 85 16.800 -17.815 -12.251 1.00 0.00 H new ATOM 0 HG22 VAL A 85 18.404 -18.260 -12.881 1.00 0.00 H new ATOM 0 HG23 VAL A 85 17.359 -19.502 -12.152 1.00 0.00 H new ATOM 823 N LEU A 86 21.232 -18.168 -12.069 1.00 0.00 N ATOM 824 CA LEU A 86 22.108 -18.233 -13.245 1.00 0.00 C ATOM 825 C LEU A 86 23.195 -19.278 -13.002 1.00 0.00 C ATOM 826 O LEU A 86 23.792 -19.316 -11.928 1.00 0.00 O ATOM 827 CB LEU A 86 22.779 -16.869 -13.527 1.00 0.00 C ATOM 828 CG LEU A 86 21.964 -15.970 -14.491 1.00 0.00 C ATOM 829 CD1 LEU A 86 21.366 -16.770 -15.653 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.853 -15.259 -13.733 1.00 0.00 C ATOM 0 H LEU A 86 21.305 -17.305 -11.529 1.00 0.00 H new ATOM 0 HA LEU A 86 21.499 -18.502 -14.108 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.923 -16.341 -12.584 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.769 -17.040 -13.951 1.00 0.00 H new ATOM 0 HG LEU A 86 22.652 -15.236 -14.910 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.803 -16.101 -16.304 1.00 0.00 H new ATOM 0 HD12 LEU A 86 22.168 -17.240 -16.222 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.701 -17.539 -15.261 1.00 0.00 H new ATOM 0 HD21 LEU A 86 20.288 -14.630 -14.421 1.00 0.00 H new ATOM 0 HD22 LEU A 86 20.188 -15.997 -13.286 1.00 0.00 H new ATOM 0 HD23 LEU A 86 21.287 -14.639 -12.948 1.00 0.00 H new