USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=8 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= 0.795 K(o=1.7,f=0.18) USER MOD Set 1.2: A 83 GLN : amide:sc= 0.888 K(o=1.7,f=-1.9!) USER MOD Set 2.1: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 77 GLN : amide:sc=-0.00178 X(o=-0.0018,f=-0.49) USER MOD Set 3.1: A 58 ASN : amide:sc= 1.26 K(o=2,f=0.13) USER MOD Set 3.2: A 69 TYR OH : rot -165:sc= 0.704 USER MOD Set 4.1: A 53 LYS NZ :NH3+ 170:sc= 2.39 (180deg=1.12) USER MOD Set 4.2: A 57 GLN : amide:sc= 0.718 K(o=3.1,f=-9.9!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0201 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.126) USER MOD Single : A 68 ASN : amide:sc= 0.974 K(o=0.97,f=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 CYS SG : rot 82:sc= 0.2 USER MOD Single : A 80 HIS : no HD1:sc= -0.275 X(o=-0.28,f=-0.088) USER MOD Single : A 84 LYS NZ :NH3+ -163:sc= 1.1 (180deg=0.251) USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 13.316 -9.501 -12.976 1.00 0.00 N ATOM 90 CA TRP A 43 14.422 -9.274 -13.908 1.00 0.00 C ATOM 91 C TRP A 43 13.946 -9.413 -15.359 1.00 0.00 C ATOM 92 O TRP A 43 12.795 -9.768 -15.615 1.00 0.00 O ATOM 93 CB TRP A 43 15.583 -10.239 -13.609 1.00 0.00 C ATOM 94 CG TRP A 43 16.459 -9.819 -12.477 1.00 0.00 C ATOM 95 CD1 TRP A 43 16.147 -9.887 -11.173 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.802 -9.260 -12.525 1.00 0.00 C ATOM 97 NE1 TRP A 43 17.177 -9.418 -10.396 1.00 0.00 N ATOM 98 CE2 TRP A 43 18.239 -9.011 -11.186 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.702 -8.936 -13.562 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.496 -8.470 -10.899 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.964 -8.383 -13.281 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.362 -8.150 -11.952 1.00 0.00 C ATOM 0 HA TRP A 43 14.786 -8.255 -13.773 1.00 0.00 H new ATOM 0 HB2 TRP A 43 15.172 -11.224 -13.388 1.00 0.00 H new ATOM 0 HB3 TRP A 43 16.194 -10.342 -14.506 1.00 0.00 H new ATOM 0 HD1 TRP A 43 15.210 -10.261 -10.787 1.00 0.00 H new ATOM 0 HE1 TRP A 43 17.162 -9.375 -9.377 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.417 -9.116 -14.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.796 -8.301 -9.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.633 -8.135 -14.092 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.333 -7.725 -11.744 1.00 0.00 H new ATOM 113 N THR A 44 14.848 -9.119 -16.305 1.00 0.00 N ATOM 114 CA THR A 44 14.552 -9.196 -17.728 1.00 0.00 C ATOM 115 C THR A 44 15.738 -9.823 -18.453 1.00 0.00 C ATOM 116 O THR A 44 16.860 -9.785 -17.954 1.00 0.00 O ATOM 117 CB THR A 44 14.276 -7.788 -18.276 1.00 0.00 C ATOM 118 OG1 THR A 44 15.401 -6.963 -18.049 1.00 0.00 O ATOM 119 CG2 THR A 44 13.052 -7.183 -17.584 1.00 0.00 C ATOM 0 H THR A 44 15.801 -8.822 -16.098 1.00 0.00 H new ATOM 0 HA THR A 44 13.667 -9.812 -17.889 1.00 0.00 H new ATOM 0 HB THR A 44 14.082 -7.857 -19.346 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.225 -6.065 -18.401 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.866 -6.185 -17.981 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.182 -7.814 -17.766 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.235 -7.119 -16.511 1.00 0.00 H new ATOM 127 N ARG A 45 15.483 -10.396 -19.636 1.00 0.00 N ATOM 128 CA ARG A 45 16.522 -11.028 -20.439 1.00 0.00 C ATOM 129 C ARG A 45 17.685 -10.055 -20.662 1.00 0.00 C ATOM 130 O ARG A 45 18.848 -10.447 -20.590 1.00 0.00 O ATOM 131 CB ARG A 45 15.916 -11.458 -21.780 1.00 0.00 C ATOM 132 CG ARG A 45 16.894 -12.363 -22.542 1.00 0.00 C ATOM 133 CD ARG A 45 16.894 -11.988 -24.028 1.00 0.00 C ATOM 134 NE ARG A 45 17.600 -10.715 -24.254 1.00 0.00 N ATOM 135 CZ ARG A 45 18.938 -10.624 -24.386 1.00 0.00 C ATOM 136 NH1 ARG A 45 19.701 -11.722 -24.297 1.00 0.00 N ATOM 137 NH2 ARG A 45 19.506 -9.432 -24.609 1.00 0.00 N ATOM 0 H ARG A 45 14.554 -10.431 -20.056 1.00 0.00 H new ATOM 0 HA ARG A 45 16.910 -11.903 -19.918 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.978 -11.987 -21.610 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.682 -10.578 -22.380 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.898 -12.258 -22.130 1.00 0.00 H new ATOM 0 HG3 ARG A 45 16.608 -13.408 -22.421 1.00 0.00 H new ATOM 0 HD2 ARG A 45 17.371 -12.780 -24.606 1.00 0.00 H new ATOM 0 HD3 ARG A 45 15.868 -11.907 -24.386 1.00 0.00 H new ATOM 0 HE ARG A 45 17.048 -9.859 -24.314 1.00 0.00 H new ATOM 0 HH11 ARG A 45 19.269 -12.631 -24.129 1.00 0.00 H new ATOM 0 HH12 ARG A 45 20.713 -11.649 -24.397 1.00 0.00 H new ATOM 0 HH21 ARG A 45 18.926 -8.596 -24.679 1.00 0.00 H new ATOM 0 HH22 ARG A 45 20.519 -9.360 -24.709 1.00 0.00 H new ATOM 151 N GLU A 46 17.361 -8.786 -20.937 1.00 0.00 N ATOM 152 CA GLU A 46 18.367 -7.768 -21.186 1.00 0.00 C ATOM 153 C GLU A 46 19.245 -7.568 -19.949 1.00 0.00 C ATOM 154 O GLU A 46 20.469 -7.637 -20.044 1.00 0.00 O ATOM 155 CB GLU A 46 17.673 -6.461 -21.582 1.00 0.00 C ATOM 156 CG GLU A 46 18.725 -5.375 -21.830 1.00 0.00 C ATOM 157 CD GLU A 46 18.099 -4.108 -22.400 1.00 0.00 C ATOM 158 OE1 GLU A 46 16.852 -4.070 -22.481 1.00 0.00 O ATOM 159 OE2 GLU A 46 18.885 -3.198 -22.744 1.00 0.00 O ATOM 0 H GLU A 46 16.401 -8.446 -20.991 1.00 0.00 H new ATOM 0 HA GLU A 46 19.014 -8.088 -22.002 1.00 0.00 H new ATOM 0 HB2 GLU A 46 17.074 -6.613 -22.480 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.990 -6.146 -20.793 1.00 0.00 H new ATOM 0 HG2 GLU A 46 19.235 -5.141 -20.895 1.00 0.00 H new ATOM 0 HG3 GLU A 46 19.481 -5.750 -22.520 1.00 0.00 H new ATOM 166 N GLU A 47 18.624 -7.312 -18.790 1.00 0.00 N ATOM 167 CA GLU A 47 19.367 -7.076 -17.560 1.00 0.00 C ATOM 168 C GLU A 47 20.199 -8.311 -17.201 1.00 0.00 C ATOM 169 O GLU A 47 21.339 -8.179 -16.764 1.00 0.00 O ATOM 170 CB GLU A 47 18.395 -6.716 -16.432 1.00 0.00 C ATOM 171 CG GLU A 47 19.134 -5.954 -15.325 1.00 0.00 C ATOM 172 CD GLU A 47 19.141 -4.454 -15.600 1.00 0.00 C ATOM 173 OE1 GLU A 47 19.932 -4.038 -16.474 1.00 0.00 O ATOM 174 OE2 GLU A 47 18.354 -3.750 -14.929 1.00 0.00 O ATOM 0 H GLU A 47 17.610 -7.265 -18.686 1.00 0.00 H new ATOM 0 HA GLU A 47 20.052 -6.241 -17.704 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.581 -6.106 -16.823 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.947 -7.622 -16.024 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.656 -6.148 -14.365 1.00 0.00 H new ATOM 0 HG3 GLU A 47 20.159 -6.318 -15.251 1.00 0.00 H new ATOM 181 N ASP A 48 19.633 -9.510 -17.392 1.00 0.00 N ATOM 182 CA ASP A 48 20.339 -10.753 -17.106 1.00 0.00 C ATOM 183 C ASP A 48 21.579 -10.859 -17.993 1.00 0.00 C ATOM 184 O ASP A 48 22.651 -11.235 -17.522 1.00 0.00 O ATOM 185 CB ASP A 48 19.406 -11.947 -17.347 1.00 0.00 C ATOM 186 CG ASP A 48 18.348 -12.063 -16.254 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.695 -11.785 -15.088 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.206 -12.435 -16.603 1.00 0.00 O ATOM 0 H ASP A 48 18.685 -9.639 -17.745 1.00 0.00 H new ATOM 0 HA ASP A 48 20.653 -10.759 -16.062 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.919 -11.839 -18.316 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.992 -12.865 -17.386 1.00 0.00 H new ATOM 193 N GLU A 49 21.431 -10.524 -19.279 1.00 0.00 N ATOM 194 CA GLU A 49 22.538 -10.571 -20.220 1.00 0.00 C ATOM 195 C GLU A 49 23.621 -9.581 -19.788 1.00 0.00 C ATOM 196 O GLU A 49 24.802 -9.926 -19.757 1.00 0.00 O ATOM 197 CB GLU A 49 22.019 -10.248 -21.622 1.00 0.00 C ATOM 198 CG GLU A 49 23.133 -10.440 -22.652 1.00 0.00 C ATOM 199 CD GLU A 49 22.564 -10.389 -24.060 1.00 0.00 C ATOM 200 OE1 GLU A 49 22.263 -9.265 -24.514 1.00 0.00 O ATOM 201 OE2 GLU A 49 22.424 -11.478 -24.657 1.00 0.00 O ATOM 0 H GLU A 49 20.548 -10.217 -19.687 1.00 0.00 H new ATOM 0 HA GLU A 49 22.978 -11.568 -20.235 1.00 0.00 H new ATOM 0 HB2 GLU A 49 21.175 -10.894 -21.863 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.655 -9.221 -21.656 1.00 0.00 H new ATOM 0 HG2 GLU A 49 23.889 -9.664 -22.529 1.00 0.00 H new ATOM 0 HG3 GLU A 49 23.629 -11.397 -22.487 1.00 0.00 H new ATOM 208 N LYS A 50 23.214 -8.350 -19.447 1.00 0.00 N ATOM 209 CA LYS A 50 24.145 -7.326 -18.997 1.00 0.00 C ATOM 210 C LYS A 50 24.890 -7.824 -17.759 1.00 0.00 C ATOM 211 O LYS A 50 26.108 -7.701 -17.680 1.00 0.00 O ATOM 212 CB LYS A 50 23.381 -6.035 -18.684 1.00 0.00 C ATOM 213 CG LYS A 50 22.926 -5.365 -19.985 1.00 0.00 C ATOM 214 CD LYS A 50 21.980 -4.205 -19.657 1.00 0.00 C ATOM 215 CE LYS A 50 21.497 -3.539 -20.950 1.00 0.00 C ATOM 216 NZ LYS A 50 22.541 -2.686 -21.541 1.00 0.00 N ATOM 0 H LYS A 50 22.241 -8.046 -19.477 1.00 0.00 H new ATOM 0 HA LYS A 50 24.871 -7.117 -19.783 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.517 -6.257 -18.058 1.00 0.00 H new ATOM 0 HB3 LYS A 50 24.017 -5.354 -18.118 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.790 -4.998 -20.540 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.422 -6.090 -20.623 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.127 -4.571 -19.087 1.00 0.00 H new ATOM 0 HD3 LYS A 50 22.492 -3.474 -19.031 1.00 0.00 H new ATOM 0 HE2 LYS A 50 21.203 -4.305 -21.667 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.611 -2.940 -20.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 22.181 -2.251 -22.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 22.804 -1.940 -20.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 23.377 -3.263 -21.761 1.00 0.00 H new ATOM 230 N LEU A 51 24.151 -8.389 -16.796 1.00 0.00 N ATOM 231 CA LEU A 51 24.735 -8.909 -15.570 1.00 0.00 C ATOM 232 C LEU A 51 25.798 -9.954 -15.907 1.00 0.00 C ATOM 233 O LEU A 51 26.923 -9.868 -15.426 1.00 0.00 O ATOM 234 CB LEU A 51 23.619 -9.514 -14.703 1.00 0.00 C ATOM 235 CG LEU A 51 24.197 -10.134 -13.420 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.851 -9.048 -12.564 1.00 0.00 C ATOM 237 CD2 LEU A 51 23.069 -10.796 -12.626 1.00 0.00 C ATOM 0 H LEU A 51 23.138 -8.495 -16.851 1.00 0.00 H new ATOM 0 HA LEU A 51 25.217 -8.106 -15.013 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.895 -8.742 -14.444 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.084 -10.275 -15.271 1.00 0.00 H new ATOM 0 HG LEU A 51 24.947 -10.878 -13.687 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.258 -9.495 -11.657 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.655 -8.575 -13.128 1.00 0.00 H new ATOM 0 HD13 LEU A 51 24.106 -8.298 -12.296 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.475 -11.237 -11.716 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.321 -10.048 -12.365 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.607 -11.576 -13.232 1.00 0.00 H new ATOM 249 N LYS A 52 25.434 -10.936 -16.738 1.00 0.00 N ATOM 250 CA LYS A 52 26.347 -11.997 -17.140 1.00 0.00 C ATOM 251 C LYS A 52 27.622 -11.403 -17.750 1.00 0.00 C ATOM 252 O LYS A 52 28.727 -11.814 -17.400 1.00 0.00 O ATOM 253 CB LYS A 52 25.633 -12.905 -18.148 1.00 0.00 C ATOM 254 CG LYS A 52 26.502 -14.128 -18.465 1.00 0.00 C ATOM 255 CD LYS A 52 25.891 -14.922 -19.628 1.00 0.00 C ATOM 256 CE LYS A 52 24.530 -15.500 -19.222 1.00 0.00 C ATOM 257 NZ LYS A 52 24.005 -16.396 -20.267 1.00 0.00 N ATOM 0 H LYS A 52 24.502 -11.013 -17.146 1.00 0.00 H new ATOM 0 HA LYS A 52 26.639 -12.583 -16.268 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.673 -13.226 -17.743 1.00 0.00 H new ATOM 0 HB3 LYS A 52 25.424 -12.351 -19.063 1.00 0.00 H new ATOM 0 HG2 LYS A 52 27.512 -13.809 -18.723 1.00 0.00 H new ATOM 0 HG3 LYS A 52 26.584 -14.764 -17.584 1.00 0.00 H new ATOM 0 HD2 LYS A 52 25.774 -14.275 -20.497 1.00 0.00 H new ATOM 0 HD3 LYS A 52 26.564 -15.729 -19.920 1.00 0.00 H new ATOM 0 HE2 LYS A 52 24.628 -16.047 -18.284 1.00 0.00 H new ATOM 0 HE3 LYS A 52 23.824 -14.688 -19.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 23.083 -16.774 -19.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 23.891 -15.865 -21.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 24.670 -17.182 -20.417 1.00 0.00 H new ATOM 271 N LYS A 53 27.465 -10.442 -18.666 1.00 0.00 N ATOM 272 CA LYS A 53 28.597 -9.822 -19.339 1.00 0.00 C ATOM 273 C LYS A 53 29.486 -9.082 -18.333 1.00 0.00 C ATOM 274 O LYS A 53 30.709 -9.202 -18.382 1.00 0.00 O ATOM 275 CB LYS A 53 28.075 -8.865 -20.420 1.00 0.00 C ATOM 276 CG LYS A 53 29.217 -8.452 -21.358 1.00 0.00 C ATOM 277 CD LYS A 53 29.490 -9.568 -22.377 1.00 0.00 C ATOM 278 CE LYS A 53 30.603 -9.139 -23.338 1.00 0.00 C ATOM 279 NZ LYS A 53 31.888 -8.986 -22.632 1.00 0.00 N ATOM 0 H LYS A 53 26.557 -10.079 -18.956 1.00 0.00 H new ATOM 0 HA LYS A 53 29.207 -10.593 -19.809 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.282 -9.348 -20.991 1.00 0.00 H new ATOM 0 HB3 LYS A 53 27.640 -7.981 -19.954 1.00 0.00 H new ATOM 0 HG2 LYS A 53 28.956 -7.530 -21.877 1.00 0.00 H new ATOM 0 HG3 LYS A 53 30.118 -8.248 -20.779 1.00 0.00 H new ATOM 0 HD2 LYS A 53 29.778 -10.483 -21.859 1.00 0.00 H new ATOM 0 HD3 LYS A 53 28.581 -9.791 -22.936 1.00 0.00 H new ATOM 0 HE2 LYS A 53 30.707 -9.879 -24.132 1.00 0.00 H new ATOM 0 HE3 LYS A 53 30.332 -8.197 -23.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 32.653 -8.862 -23.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 31.846 -8.153 -22.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 32.073 -9.835 -22.060 1.00 0.00 H new ATOM 293 N LEU A 54 28.875 -8.316 -17.424 1.00 0.00 N ATOM 294 CA LEU A 54 29.623 -7.560 -16.429 1.00 0.00 C ATOM 295 C LEU A 54 30.369 -8.514 -15.496 1.00 0.00 C ATOM 296 O LEU A 54 31.504 -8.239 -15.119 1.00 0.00 O ATOM 297 CB LEU A 54 28.669 -6.659 -15.639 1.00 0.00 C ATOM 298 CG LEU A 54 28.158 -5.513 -16.528 1.00 0.00 C ATOM 299 CD1 LEU A 54 27.010 -4.796 -15.815 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.288 -4.514 -16.807 1.00 0.00 C ATOM 0 H LEU A 54 27.863 -8.207 -17.361 1.00 0.00 H new ATOM 0 HA LEU A 54 30.358 -6.931 -16.931 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.827 -7.245 -15.269 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.181 -6.252 -14.767 1.00 0.00 H new ATOM 0 HG LEU A 54 27.808 -5.924 -17.475 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.644 -3.982 -16.441 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.201 -5.502 -15.628 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.366 -4.392 -14.867 1.00 0.00 H new ATOM 0 HD21 LEU A 54 28.913 -3.708 -17.437 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.649 -4.101 -15.865 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.106 -5.023 -17.317 1.00 0.00 H new ATOM 312 N VAL A 55 29.734 -9.636 -15.132 1.00 0.00 N ATOM 313 CA VAL A 55 30.358 -10.635 -14.273 1.00 0.00 C ATOM 314 C VAL A 55 31.575 -11.224 -14.987 1.00 0.00 C ATOM 315 O VAL A 55 32.637 -11.370 -14.388 1.00 0.00 O ATOM 316 CB VAL A 55 29.329 -11.730 -13.932 1.00 0.00 C ATOM 317 CG1 VAL A 55 30.043 -12.991 -13.429 1.00 0.00 C ATOM 318 CG2 VAL A 55 28.380 -11.223 -12.845 1.00 0.00 C ATOM 0 H VAL A 55 28.785 -9.870 -15.424 1.00 0.00 H new ATOM 0 HA VAL A 55 30.692 -10.177 -13.342 1.00 0.00 H new ATOM 0 HB VAL A 55 28.764 -11.972 -14.832 1.00 0.00 H new ATOM 0 HG11 VAL A 55 29.305 -13.757 -13.192 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.715 -13.362 -14.203 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.618 -12.751 -12.534 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.653 -11.999 -12.606 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.951 -10.973 -11.951 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.858 -10.335 -13.203 1.00 0.00 H new ATOM 328 N GLU A 56 31.410 -11.558 -16.270 1.00 0.00 N ATOM 329 CA GLU A 56 32.479 -12.126 -17.076 1.00 0.00 C ATOM 330 C GLU A 56 33.670 -11.160 -17.135 1.00 0.00 C ATOM 331 O GLU A 56 34.811 -11.572 -16.933 1.00 0.00 O ATOM 332 CB GLU A 56 31.920 -12.427 -18.478 1.00 0.00 C ATOM 333 CG GLU A 56 33.050 -12.774 -19.460 1.00 0.00 C ATOM 334 CD GLU A 56 33.395 -11.576 -20.343 1.00 0.00 C ATOM 335 OE1 GLU A 56 32.487 -11.137 -21.087 1.00 0.00 O ATOM 336 OE2 GLU A 56 34.553 -11.119 -20.261 1.00 0.00 O ATOM 0 H GLU A 56 30.530 -11.440 -16.773 1.00 0.00 H new ATOM 0 HA GLU A 56 32.841 -13.053 -16.632 1.00 0.00 H new ATOM 0 HB2 GLU A 56 31.215 -13.257 -18.422 1.00 0.00 H new ATOM 0 HB3 GLU A 56 31.367 -11.563 -18.846 1.00 0.00 H new ATOM 0 HG2 GLU A 56 33.934 -13.089 -18.906 1.00 0.00 H new ATOM 0 HG3 GLU A 56 32.749 -13.615 -20.084 1.00 0.00 H new ATOM 343 N GLN A 57 33.402 -9.879 -17.414 1.00 0.00 N ATOM 344 CA GLN A 57 34.454 -8.876 -17.533 1.00 0.00 C ATOM 345 C GLN A 57 35.105 -8.590 -16.176 1.00 0.00 C ATOM 346 O GLN A 57 36.311 -8.768 -16.021 1.00 0.00 O ATOM 347 CB GLN A 57 33.863 -7.592 -18.121 1.00 0.00 C ATOM 348 CG GLN A 57 33.641 -7.771 -19.625 1.00 0.00 C ATOM 349 CD GLN A 57 32.952 -6.553 -20.234 1.00 0.00 C ATOM 350 OE1 GLN A 57 32.021 -6.697 -21.022 1.00 0.00 O ATOM 351 NE2 GLN A 57 33.410 -5.353 -19.873 1.00 0.00 N ATOM 0 H GLN A 57 32.460 -9.517 -17.561 1.00 0.00 H new ATOM 0 HA GLN A 57 35.230 -9.260 -18.196 1.00 0.00 H new ATOM 0 HB2 GLN A 57 32.919 -7.356 -17.629 1.00 0.00 H new ATOM 0 HB3 GLN A 57 34.536 -6.754 -17.940 1.00 0.00 H new ATOM 0 HG2 GLN A 57 34.599 -7.934 -20.119 1.00 0.00 H new ATOM 0 HG3 GLN A 57 33.036 -8.660 -19.802 1.00 0.00 H new ATOM 0 HE21 GLN A 57 34.186 -5.280 -19.215 1.00 0.00 H new ATOM 0 HE22 GLN A 57 32.984 -4.509 -20.255 1.00 0.00 H new ATOM 360 N ASN A 58 34.311 -8.127 -15.205 1.00 0.00 N ATOM 361 CA ASN A 58 34.826 -7.759 -13.890 1.00 0.00 C ATOM 362 C ASN A 58 35.070 -9.011 -13.048 1.00 0.00 C ATOM 363 O ASN A 58 36.209 -9.450 -12.905 1.00 0.00 O ATOM 364 CB ASN A 58 33.834 -6.815 -13.193 1.00 0.00 C ATOM 365 CG ASN A 58 33.630 -5.536 -13.997 1.00 0.00 C ATOM 366 OD1 ASN A 58 34.284 -4.526 -13.743 1.00 0.00 O ATOM 367 ND2 ASN A 58 32.713 -5.577 -14.966 1.00 0.00 N ATOM 0 H ASN A 58 33.305 -7.999 -15.310 1.00 0.00 H new ATOM 0 HA ASN A 58 35.778 -7.241 -14.007 1.00 0.00 H new ATOM 0 HB2 ASN A 58 32.878 -7.321 -13.062 1.00 0.00 H new ATOM 0 HB3 ASN A 58 34.203 -6.567 -12.198 1.00 0.00 H new ATOM 0 HD21 ASN A 58 32.531 -4.748 -15.531 1.00 0.00 H new ATOM 0 HD22 ASN A 58 32.194 -6.438 -15.141 1.00 0.00 H new ATOM 374 N GLY A 59 33.999 -9.578 -12.488 1.00 0.00 N ATOM 375 CA GLY A 59 34.095 -10.760 -11.654 1.00 0.00 C ATOM 376 C GLY A 59 32.742 -11.046 -11.016 1.00 0.00 C ATOM 377 O GLY A 59 31.841 -10.209 -11.065 1.00 0.00 O ATOM 0 H GLY A 59 33.049 -9.226 -12.604 1.00 0.00 H new ATOM 0 HA2 GLY A 59 34.415 -11.614 -12.251 1.00 0.00 H new ATOM 0 HA3 GLY A 59 34.849 -10.612 -10.881 1.00 0.00 H new ATOM 381 N THR A 60 32.598 -12.232 -10.420 1.00 0.00 N ATOM 382 CA THR A 60 31.347 -12.637 -9.796 1.00 0.00 C ATOM 383 C THR A 60 31.217 -11.997 -8.415 1.00 0.00 C ATOM 384 O THR A 60 30.221 -11.345 -8.130 1.00 0.00 O ATOM 385 CB THR A 60 31.307 -14.169 -9.696 1.00 0.00 C ATOM 386 OG1 THR A 60 31.874 -14.736 -10.859 1.00 0.00 O ATOM 387 CG2 THR A 60 29.862 -14.644 -9.557 1.00 0.00 C ATOM 0 H THR A 60 33.340 -12.929 -10.359 1.00 0.00 H new ATOM 0 HA THR A 60 30.507 -12.300 -10.403 1.00 0.00 H new ATOM 0 HB THR A 60 31.876 -14.482 -8.821 1.00 0.00 H new ATOM 0 HG1 THR A 60 31.849 -15.713 -10.792 1.00 0.00 H new ATOM 0 HG21 THR A 60 29.842 -15.732 -9.487 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.423 -14.214 -8.657 1.00 0.00 H new ATOM 0 HG23 THR A 60 29.289 -14.326 -10.428 1.00 0.00 H new ATOM 395 N ASP A 61 32.228 -12.192 -7.561 1.00 0.00 N ATOM 396 CA ASP A 61 32.213 -11.671 -6.198 1.00 0.00 C ATOM 397 C ASP A 61 32.134 -10.138 -6.187 1.00 0.00 C ATOM 398 O ASP A 61 31.701 -9.552 -5.195 1.00 0.00 O ATOM 399 CB ASP A 61 33.475 -12.149 -5.475 1.00 0.00 C ATOM 400 CG ASP A 61 33.423 -11.796 -3.993 1.00 0.00 C ATOM 401 OD1 ASP A 61 32.567 -12.387 -3.299 1.00 0.00 O ATOM 402 OD2 ASP A 61 34.240 -10.944 -3.583 1.00 0.00 O ATOM 0 H ASP A 61 33.073 -12.713 -7.797 1.00 0.00 H new ATOM 0 HA ASP A 61 31.327 -12.044 -5.684 1.00 0.00 H new ATOM 0 HB2 ASP A 61 33.579 -13.228 -5.592 1.00 0.00 H new ATOM 0 HB3 ASP A 61 34.354 -11.693 -5.930 1.00 0.00 H new ATOM 407 N ASP A 62 32.553 -9.493 -7.285 1.00 0.00 N ATOM 408 CA ASP A 62 32.549 -8.037 -7.392 1.00 0.00 C ATOM 409 C ASP A 62 31.124 -7.516 -7.633 1.00 0.00 C ATOM 410 O ASP A 62 30.866 -6.840 -8.629 1.00 0.00 O ATOM 411 CB ASP A 62 33.478 -7.623 -8.540 1.00 0.00 C ATOM 412 CG ASP A 62 34.879 -8.188 -8.347 1.00 0.00 C ATOM 413 OD1 ASP A 62 35.059 -9.384 -8.665 1.00 0.00 O ATOM 414 OD2 ASP A 62 35.744 -7.412 -7.886 1.00 0.00 O ATOM 0 H ASP A 62 32.902 -9.968 -8.117 1.00 0.00 H new ATOM 0 HA ASP A 62 32.907 -7.602 -6.459 1.00 0.00 H new ATOM 0 HB2 ASP A 62 33.069 -7.975 -9.487 1.00 0.00 H new ATOM 0 HB3 ASP A 62 33.526 -6.536 -8.598 1.00 0.00 H new ATOM 419 N TRP A 63 30.200 -7.824 -6.716 1.00 0.00 N ATOM 420 CA TRP A 63 28.815 -7.395 -6.837 1.00 0.00 C ATOM 421 C TRP A 63 28.709 -5.886 -6.658 1.00 0.00 C ATOM 422 O TRP A 63 27.937 -5.236 -7.357 1.00 0.00 O ATOM 423 CB TRP A 63 27.959 -8.135 -5.804 1.00 0.00 C ATOM 424 CG TRP A 63 27.904 -9.616 -6.010 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.190 -10.552 -5.087 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.560 -10.358 -7.218 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.063 -11.816 -5.613 1.00 0.00 N ATOM 428 CE2 TRP A 63 27.677 -11.756 -6.939 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.168 -10.000 -8.532 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.434 -12.734 -7.905 1.00 0.00 C ATOM 431 CZ3 TRP A 63 26.918 -10.986 -9.505 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.057 -12.348 -9.194 1.00 0.00 C ATOM 0 H TRP A 63 30.395 -8.373 -5.879 1.00 0.00 H new ATOM 0 HA TRP A 63 28.446 -7.637 -7.834 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.352 -7.931 -4.808 1.00 0.00 H new ATOM 0 HB3 TRP A 63 26.945 -7.736 -5.834 1.00 0.00 H new ATOM 0 HD1 TRP A 63 28.481 -10.339 -4.069 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.231 -12.679 -5.096 1.00 0.00 H new ATOM 0 HE3 TRP A 63 27.060 -8.957 -8.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 27.537 -13.780 -7.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.617 -10.692 -10.500 1.00 0.00 H new ATOM 0 HH2 TRP A 63 26.873 -13.097 -9.950 1.00 0.00 H new ATOM 443 N LYS A 64 29.484 -5.325 -5.725 1.00 0.00 N ATOM 444 CA LYS A 64 29.466 -3.892 -5.477 1.00 0.00 C ATOM 445 C LYS A 64 29.916 -3.145 -6.735 1.00 0.00 C ATOM 446 O LYS A 64 29.371 -2.091 -7.061 1.00 0.00 O ATOM 447 CB LYS A 64 30.374 -3.568 -4.287 1.00 0.00 C ATOM 448 CG LYS A 64 29.899 -2.275 -3.619 1.00 0.00 C ATOM 449 CD LYS A 64 30.825 -1.930 -2.448 1.00 0.00 C ATOM 450 CE LYS A 64 30.159 -0.885 -1.546 1.00 0.00 C ATOM 451 NZ LYS A 64 29.819 0.336 -2.299 1.00 0.00 N ATOM 0 H LYS A 64 30.130 -5.847 -5.132 1.00 0.00 H new ATOM 0 HA LYS A 64 28.453 -3.570 -5.234 1.00 0.00 H new ATOM 0 HB2 LYS A 64 30.357 -4.388 -3.569 1.00 0.00 H new ATOM 0 HB3 LYS A 64 31.405 -3.459 -4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 64 29.894 -1.461 -4.343 1.00 0.00 H new ATOM 0 HG3 LYS A 64 28.875 -2.392 -3.264 1.00 0.00 H new ATOM 0 HD2 LYS A 64 31.049 -2.829 -1.874 1.00 0.00 H new ATOM 0 HD3 LYS A 64 31.774 -1.547 -2.824 1.00 0.00 H new ATOM 0 HE2 LYS A 64 29.256 -1.306 -1.105 1.00 0.00 H new ATOM 0 HE3 LYS A 64 30.828 -0.633 -0.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 29.577 1.098 -1.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 30.634 0.626 -2.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 29.005 0.147 -2.919 1.00 0.00 H new ATOM 465 N VAL A 65 30.908 -3.697 -7.443 1.00 0.00 N ATOM 466 CA VAL A 65 31.418 -3.090 -8.662 1.00 0.00 C ATOM 467 C VAL A 65 30.332 -3.125 -9.738 1.00 0.00 C ATOM 468 O VAL A 65 30.127 -2.143 -10.447 1.00 0.00 O ATOM 469 CB VAL A 65 32.677 -3.839 -9.124 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.281 -3.134 -10.340 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.711 -3.868 -7.993 1.00 0.00 C ATOM 0 H VAL A 65 31.371 -4.568 -7.185 1.00 0.00 H new ATOM 0 HA VAL A 65 31.688 -2.051 -8.476 1.00 0.00 H new ATOM 0 HB VAL A 65 32.403 -4.859 -9.392 1.00 0.00 H new ATOM 0 HG11 VAL A 65 34.174 -3.669 -10.664 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.553 -3.119 -11.151 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.548 -2.111 -10.073 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.601 -4.401 -8.327 1.00 0.00 H new ATOM 0 HG22 VAL A 65 33.980 -2.848 -7.720 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.288 -4.376 -7.126 1.00 0.00 H new ATOM 481 N ILE A 66 29.631 -4.259 -9.855 1.00 0.00 N ATOM 482 CA ILE A 66 28.561 -4.404 -10.831 1.00 0.00 C ATOM 483 C ILE A 66 27.436 -3.414 -10.511 1.00 0.00 C ATOM 484 O ILE A 66 26.881 -2.791 -11.416 1.00 0.00 O ATOM 485 CB ILE A 66 28.050 -5.855 -10.823 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.130 -6.773 -11.420 1.00 0.00 C ATOM 487 CG2 ILE A 66 26.769 -5.956 -11.660 1.00 0.00 C ATOM 488 CD1 ILE A 66 28.879 -8.226 -11.019 1.00 0.00 C ATOM 0 H ILE A 66 29.791 -5.087 -9.282 1.00 0.00 H new ATOM 0 HA ILE A 66 28.935 -4.181 -11.830 1.00 0.00 H new ATOM 0 HB ILE A 66 27.833 -6.161 -9.799 1.00 0.00 H new ATOM 0 HG12 ILE A 66 29.131 -6.684 -12.506 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.115 -6.459 -11.074 1.00 0.00 H new ATOM 0 HG21 ILE A 66 26.410 -6.985 -11.652 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.006 -5.302 -11.238 1.00 0.00 H new ATOM 0 HG23 ILE A 66 26.980 -5.653 -12.686 1.00 0.00 H new ATOM 0 HD11 ILE A 66 29.653 -8.861 -11.450 1.00 0.00 H new ATOM 0 HD12 ILE A 66 28.902 -8.313 -9.933 1.00 0.00 H new ATOM 0 HD13 ILE A 66 27.903 -8.542 -11.388 1.00 0.00 H new ATOM 500 N ALA A 67 27.105 -3.272 -9.221 1.00 0.00 N ATOM 501 CA ALA A 67 26.047 -2.372 -8.781 1.00 0.00 C ATOM 502 C ALA A 67 26.331 -0.937 -9.231 1.00 0.00 C ATOM 503 O ALA A 67 25.405 -0.198 -9.551 1.00 0.00 O ATOM 504 CB ALA A 67 25.926 -2.444 -7.258 1.00 0.00 C ATOM 0 H ALA A 67 27.563 -3.777 -8.462 1.00 0.00 H new ATOM 0 HA ALA A 67 25.105 -2.681 -9.233 1.00 0.00 H new ATOM 0 HB1 ALA A 67 25.135 -1.772 -6.924 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.685 -3.464 -6.960 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.871 -2.147 -6.803 1.00 0.00 H new ATOM 510 N ASN A 68 27.612 -0.539 -9.256 1.00 0.00 N ATOM 511 CA ASN A 68 27.986 0.808 -9.674 1.00 0.00 C ATOM 512 C ASN A 68 27.614 1.027 -11.143 1.00 0.00 C ATOM 513 O ASN A 68 27.250 2.137 -11.526 1.00 0.00 O ATOM 514 CB ASN A 68 29.488 1.030 -9.453 1.00 0.00 C ATOM 515 CG ASN A 68 29.760 1.576 -8.055 1.00 0.00 C ATOM 516 OD1 ASN A 68 30.086 2.749 -7.898 1.00 0.00 O ATOM 517 ND2 ASN A 68 29.625 0.727 -7.038 1.00 0.00 N ATOM 0 H ASN A 68 28.398 -1.132 -8.992 1.00 0.00 H new ATOM 0 HA ASN A 68 27.439 1.533 -9.071 1.00 0.00 H new ATOM 0 HB2 ASN A 68 30.022 0.090 -9.590 1.00 0.00 H new ATOM 0 HB3 ASN A 68 29.870 1.726 -10.200 1.00 0.00 H new ATOM 0 HD21 ASN A 68 29.794 1.044 -6.083 1.00 0.00 H new ATOM 0 HD22 ASN A 68 29.352 -0.240 -7.214 1.00 0.00 H new ATOM 524 N TYR A 69 27.699 -0.029 -11.967 1.00 0.00 N ATOM 525 CA TYR A 69 27.353 0.070 -13.380 1.00 0.00 C ATOM 526 C TYR A 69 25.836 0.013 -13.544 1.00 0.00 C ATOM 527 O TYR A 69 25.281 0.701 -14.400 1.00 0.00 O ATOM 528 CB TYR A 69 28.006 -1.072 -14.165 1.00 0.00 C ATOM 529 CG TYR A 69 29.494 -1.229 -13.925 1.00 0.00 C ATOM 530 CD1 TYR A 69 30.339 -0.102 -13.881 1.00 0.00 C ATOM 531 CD2 TYR A 69 30.035 -2.513 -13.761 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.720 -0.268 -13.671 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.411 -2.677 -13.551 1.00 0.00 C ATOM 534 CZ TYR A 69 32.255 -1.557 -13.507 1.00 0.00 C ATOM 535 OH TYR A 69 33.596 -1.721 -13.310 1.00 0.00 O ATOM 0 H TYR A 69 28.005 -0.957 -11.673 1.00 0.00 H new ATOM 0 HA TYR A 69 27.721 1.019 -13.770 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.508 -2.006 -13.905 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.838 -0.907 -15.229 1.00 0.00 H new ATOM 0 HD1 TYR A 69 29.927 0.888 -14.008 1.00 0.00 H new ATOM 0 HD2 TYR A 69 29.389 -3.378 -13.797 1.00 0.00 H new ATOM 0 HE1 TYR A 69 32.369 0.595 -13.636 1.00 0.00 H new ATOM 0 HE2 TYR A 69 31.822 -3.667 -13.423 1.00 0.00 H new ATOM 0 HH TYR A 69 33.836 -2.660 -13.456 1.00 0.00 H new ATOM 545 N LEU A 70 25.171 -0.813 -12.721 1.00 0.00 N ATOM 546 CA LEU A 70 23.722 -0.969 -12.766 1.00 0.00 C ATOM 547 C LEU A 70 23.109 -0.522 -11.434 1.00 0.00 C ATOM 548 O LEU A 70 22.813 -1.363 -10.590 1.00 0.00 O ATOM 549 CB LEU A 70 23.378 -2.444 -13.033 1.00 0.00 C ATOM 550 CG LEU A 70 23.741 -2.838 -14.473 1.00 0.00 C ATOM 551 CD1 LEU A 70 23.729 -4.363 -14.595 1.00 0.00 C ATOM 552 CD2 LEU A 70 22.720 -2.249 -15.454 1.00 0.00 C ATOM 0 H LEU A 70 25.627 -1.386 -12.011 1.00 0.00 H new ATOM 0 HA LEU A 70 23.314 -0.351 -13.566 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.916 -3.080 -12.331 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.314 -2.610 -12.863 1.00 0.00 H new ATOM 0 HG LEU A 70 24.732 -2.450 -14.710 1.00 0.00 H new ATOM 0 HD11 LEU A 70 23.986 -4.648 -15.615 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.457 -4.789 -13.905 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.735 -4.740 -14.352 1.00 0.00 H new ATOM 0 HD21 LEU A 70 22.987 -2.534 -16.472 1.00 0.00 H new ATOM 0 HD22 LEU A 70 21.727 -2.631 -15.218 1.00 0.00 H new ATOM 0 HD23 LEU A 70 22.720 -1.162 -15.370 1.00 0.00 H new ATOM 564 N PRO A 71 22.904 0.798 -11.235 1.00 0.00 N ATOM 565 CA PRO A 71 22.306 1.313 -10.017 1.00 0.00 C ATOM 566 C PRO A 71 20.901 0.735 -9.820 1.00 0.00 C ATOM 567 O PRO A 71 20.431 0.615 -8.691 1.00 0.00 O ATOM 568 CB PRO A 71 22.265 2.836 -10.180 1.00 0.00 C ATOM 569 CG PRO A 71 22.804 3.151 -11.581 1.00 0.00 C ATOM 570 CD PRO A 71 23.247 1.824 -12.197 1.00 0.00 C ATOM 0 HA PRO A 71 22.880 1.030 -9.135 1.00 0.00 H new ATOM 0 HB2 PRO A 71 21.247 3.209 -10.065 1.00 0.00 H new ATOM 0 HB3 PRO A 71 22.871 3.322 -9.415 1.00 0.00 H new ATOM 0 HG2 PRO A 71 22.035 3.623 -12.193 1.00 0.00 H new ATOM 0 HG3 PRO A 71 23.640 3.849 -11.525 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.744 1.649 -13.148 1.00 0.00 H new ATOM 0 HD3 PRO A 71 24.318 1.827 -12.398 1.00 0.00 H new ATOM 578 N ASN A 72 20.236 0.375 -10.928 1.00 0.00 N ATOM 579 CA ASN A 72 18.894 -0.192 -10.888 1.00 0.00 C ATOM 580 C ASN A 72 18.914 -1.601 -10.279 1.00 0.00 C ATOM 581 O ASN A 72 17.854 -2.152 -9.981 1.00 0.00 O ATOM 582 CB ASN A 72 18.323 -0.234 -12.308 1.00 0.00 C ATOM 583 CG ASN A 72 18.298 1.160 -12.929 1.00 0.00 C ATOM 584 OD1 ASN A 72 17.491 1.999 -12.541 1.00 0.00 O ATOM 585 ND2 ASN A 72 19.185 1.405 -13.895 1.00 0.00 N ATOM 0 H ASN A 72 20.617 0.471 -11.869 1.00 0.00 H new ATOM 0 HA ASN A 72 18.262 0.435 -10.259 1.00 0.00 H new ATOM 0 HB2 ASN A 72 18.924 -0.901 -12.926 1.00 0.00 H new ATOM 0 HB3 ASN A 72 17.313 -0.644 -12.286 1.00 0.00 H new ATOM 0 HD21 ASN A 72 19.211 2.321 -14.343 1.00 0.00 H new ATOM 0 HD22 ASN A 72 19.837 0.676 -14.185 1.00 0.00 H new ATOM 592 N ARG A 73 20.115 -2.182 -10.100 1.00 0.00 N ATOM 593 CA ARG A 73 20.272 -3.510 -9.521 1.00 0.00 C ATOM 594 C ARG A 73 21.384 -3.469 -8.476 1.00 0.00 C ATOM 595 O ARG A 73 22.562 -3.533 -8.820 1.00 0.00 O ATOM 596 CB ARG A 73 20.619 -4.524 -10.621 1.00 0.00 C ATOM 597 CG ARG A 73 19.494 -4.615 -11.659 1.00 0.00 C ATOM 598 CD ARG A 73 18.242 -5.246 -11.035 1.00 0.00 C ATOM 599 NE ARG A 73 17.273 -5.606 -12.076 1.00 0.00 N ATOM 600 CZ ARG A 73 16.543 -4.696 -12.745 1.00 0.00 C ATOM 601 NH1 ARG A 73 16.550 -3.409 -12.365 1.00 0.00 N ATOM 602 NH2 ARG A 73 15.806 -5.077 -13.797 1.00 0.00 N ATOM 0 H ARG A 73 20.996 -1.737 -10.355 1.00 0.00 H new ATOM 0 HA ARG A 73 19.339 -3.816 -9.048 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.548 -4.231 -11.111 1.00 0.00 H new ATOM 0 HB3 ARG A 73 20.789 -5.505 -10.176 1.00 0.00 H new ATOM 0 HG2 ARG A 73 19.258 -3.620 -12.037 1.00 0.00 H new ATOM 0 HG3 ARG A 73 19.823 -5.210 -12.511 1.00 0.00 H new ATOM 0 HD2 ARG A 73 18.520 -6.133 -10.467 1.00 0.00 H new ATOM 0 HD3 ARG A 73 17.787 -4.547 -10.333 1.00 0.00 H new ATOM 0 HE ARG A 73 17.147 -6.592 -12.303 1.00 0.00 H new ATOM 0 HH11 ARG A 73 17.111 -3.117 -11.565 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.994 -2.723 -12.876 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.800 -6.055 -14.088 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.251 -4.390 -14.307 1.00 0.00 H new ATOM 616 N THR A 74 21.008 -3.360 -7.199 1.00 0.00 N ATOM 617 CA THR A 74 21.978 -3.310 -6.114 1.00 0.00 C ATOM 618 C THR A 74 22.772 -4.615 -6.061 1.00 0.00 C ATOM 619 O THR A 74 22.359 -5.622 -6.636 1.00 0.00 O ATOM 620 CB THR A 74 21.257 -3.072 -4.781 1.00 0.00 C ATOM 621 OG1 THR A 74 20.379 -4.148 -4.518 1.00 0.00 O ATOM 622 CG2 THR A 74 20.462 -1.764 -4.838 1.00 0.00 C ATOM 0 H THR A 74 20.036 -3.305 -6.896 1.00 0.00 H new ATOM 0 HA THR A 74 22.670 -2.487 -6.292 1.00 0.00 H new ATOM 0 HB THR A 74 21.998 -3.003 -3.985 1.00 0.00 H new ATOM 0 HG1 THR A 74 19.920 -3.995 -3.666 1.00 0.00 H new ATOM 0 HG21 THR A 74 19.954 -1.605 -3.887 1.00 0.00 H new ATOM 0 HG22 THR A 74 21.141 -0.933 -5.030 1.00 0.00 H new ATOM 0 HG23 THR A 74 19.724 -1.821 -5.638 1.00 0.00 H new ATOM 630 N ASP A 75 23.910 -4.593 -5.362 1.00 0.00 N ATOM 631 CA ASP A 75 24.758 -5.772 -5.211 1.00 0.00 C ATOM 632 C ASP A 75 23.935 -6.947 -4.675 1.00 0.00 C ATOM 633 O ASP A 75 24.078 -8.068 -5.157 1.00 0.00 O ATOM 634 CB ASP A 75 25.942 -5.457 -4.278 1.00 0.00 C ATOM 635 CG ASP A 75 25.588 -4.411 -3.224 1.00 0.00 C ATOM 636 OD1 ASP A 75 24.528 -4.577 -2.585 1.00 0.00 O ATOM 637 OD2 ASP A 75 26.388 -3.460 -3.082 1.00 0.00 O ATOM 0 H ASP A 75 24.265 -3.762 -4.889 1.00 0.00 H new ATOM 0 HA ASP A 75 25.157 -6.052 -6.186 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.265 -6.373 -3.783 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.784 -5.101 -4.871 1.00 0.00 H new ATOM 642 N VAL A 76 23.071 -6.688 -3.686 1.00 0.00 N ATOM 643 CA VAL A 76 22.214 -7.720 -3.113 1.00 0.00 C ATOM 644 C VAL A 76 21.362 -8.360 -4.211 1.00 0.00 C ATOM 645 O VAL A 76 21.272 -9.581 -4.282 1.00 0.00 O ATOM 646 CB VAL A 76 21.321 -7.105 -2.021 1.00 0.00 C ATOM 647 CG1 VAL A 76 20.355 -8.167 -1.482 1.00 0.00 C ATOM 648 CG2 VAL A 76 22.189 -6.587 -0.871 1.00 0.00 C ATOM 0 H VAL A 76 22.950 -5.766 -3.268 1.00 0.00 H new ATOM 0 HA VAL A 76 22.833 -8.496 -2.662 1.00 0.00 H new ATOM 0 HB VAL A 76 20.754 -6.279 -2.451 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.725 -7.727 -0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 76 19.729 -8.535 -2.295 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.924 -8.995 -1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.551 -6.153 -0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 76 22.760 -7.412 -0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 76 22.874 -5.827 -1.246 1.00 0.00 H new ATOM 658 N GLN A 77 20.736 -7.536 -5.063 1.00 0.00 N ATOM 659 CA GLN A 77 19.877 -8.037 -6.133 1.00 0.00 C ATOM 660 C GLN A 77 20.702 -8.837 -7.141 1.00 0.00 C ATOM 661 O GLN A 77 20.309 -9.935 -7.527 1.00 0.00 O ATOM 662 CB GLN A 77 19.165 -6.862 -6.822 1.00 0.00 C ATOM 663 CG GLN A 77 17.746 -6.703 -6.260 1.00 0.00 C ATOM 664 CD GLN A 77 17.771 -6.273 -4.796 1.00 0.00 C ATOM 665 OE1 GLN A 77 17.989 -7.093 -3.909 1.00 0.00 O ATOM 666 NE2 GLN A 77 17.545 -4.983 -4.545 1.00 0.00 N ATOM 0 H GLN A 77 20.812 -6.519 -5.028 1.00 0.00 H new ATOM 0 HA GLN A 77 19.123 -8.700 -5.707 1.00 0.00 H new ATOM 0 HB2 GLN A 77 19.731 -5.943 -6.668 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.122 -7.033 -7.898 1.00 0.00 H new ATOM 0 HG2 GLN A 77 17.201 -5.965 -6.848 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.208 -7.646 -6.354 1.00 0.00 H new ATOM 0 HE21 GLN A 77 17.368 -4.337 -5.314 1.00 0.00 H new ATOM 0 HE22 GLN A 77 17.549 -4.642 -3.584 1.00 0.00 H new ATOM 675 N CYS A 78 21.844 -8.286 -7.565 1.00 0.00 N ATOM 676 CA CYS A 78 22.721 -8.952 -8.522 1.00 0.00 C ATOM 677 C CYS A 78 23.119 -10.327 -7.990 1.00 0.00 C ATOM 678 O CYS A 78 23.067 -11.319 -8.717 1.00 0.00 O ATOM 679 CB CYS A 78 23.962 -8.087 -8.757 1.00 0.00 C ATOM 680 SG CYS A 78 23.467 -6.574 -9.616 1.00 0.00 S ATOM 0 H CYS A 78 22.181 -7.374 -7.256 1.00 0.00 H new ATOM 0 HA CYS A 78 22.198 -9.087 -9.469 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.437 -7.843 -7.807 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.696 -8.634 -9.349 1.00 0.00 H new ATOM 0 HG CYS A 78 23.000 -5.719 -8.755 1.00 0.00 H new ATOM 686 N GLN A 79 23.513 -10.380 -6.714 1.00 0.00 N ATOM 687 CA GLN A 79 23.912 -11.619 -6.075 1.00 0.00 C ATOM 688 C GLN A 79 22.729 -12.584 -6.025 1.00 0.00 C ATOM 689 O GLN A 79 22.865 -13.748 -6.393 1.00 0.00 O ATOM 690 CB GLN A 79 24.429 -11.312 -4.666 1.00 0.00 C ATOM 691 CG GLN A 79 24.815 -12.612 -3.959 1.00 0.00 C ATOM 692 CD GLN A 79 25.644 -12.328 -2.710 1.00 0.00 C ATOM 693 OE1 GLN A 79 25.209 -11.592 -1.830 1.00 0.00 O ATOM 694 NE2 GLN A 79 26.840 -12.913 -2.635 1.00 0.00 N ATOM 0 H GLN A 79 23.561 -9.564 -6.104 1.00 0.00 H new ATOM 0 HA GLN A 79 24.709 -12.093 -6.648 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.292 -10.648 -4.722 1.00 0.00 H new ATOM 0 HB3 GLN A 79 23.662 -10.790 -4.093 1.00 0.00 H new ATOM 0 HG2 GLN A 79 23.915 -13.163 -3.685 1.00 0.00 H new ATOM 0 HG3 GLN A 79 25.382 -13.246 -4.640 1.00 0.00 H new ATOM 0 HE21 GLN A 79 27.160 -13.518 -3.391 1.00 0.00 H new ATOM 0 HE22 GLN A 79 27.434 -12.756 -1.821 1.00 0.00 H new ATOM 703 N HIS A 80 21.567 -12.099 -5.566 1.00 0.00 N ATOM 704 CA HIS A 80 20.370 -12.924 -5.459 1.00 0.00 C ATOM 705 C HIS A 80 19.962 -13.461 -6.825 1.00 0.00 C ATOM 706 O HIS A 80 19.391 -14.540 -6.913 1.00 0.00 O ATOM 707 CB HIS A 80 19.220 -12.106 -4.851 1.00 0.00 C ATOM 708 CG HIS A 80 18.937 -12.465 -3.416 1.00 0.00 C ATOM 709 ND1 HIS A 80 17.750 -12.121 -2.782 1.00 0.00 N ATOM 710 CD2 HIS A 80 19.659 -13.144 -2.466 1.00 0.00 C ATOM 711 CE1 HIS A 80 17.826 -12.601 -1.525 1.00 0.00 C ATOM 712 NE2 HIS A 80 18.969 -13.239 -1.267 1.00 0.00 N ATOM 0 H HIS A 80 21.437 -11.134 -5.263 1.00 0.00 H new ATOM 0 HA HIS A 80 20.591 -13.770 -4.808 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.463 -11.045 -4.913 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.318 -12.261 -5.443 1.00 0.00 H new ATOM 0 HD2 HIS A 80 20.644 -13.554 -2.632 1.00 0.00 H new ATOM 0 HE1 HIS A 80 17.038 -12.481 -0.797 1.00 0.00 H new ATOM 0 HE2 HIS A 80 19.263 -13.687 -0.399 1.00 0.00 H new ATOM 720 N ARG A 81 20.244 -12.712 -7.887 1.00 0.00 N ATOM 721 CA ARG A 81 19.882 -13.132 -9.221 1.00 0.00 C ATOM 722 C ARG A 81 20.824 -14.233 -9.701 1.00 0.00 C ATOM 723 O ARG A 81 20.368 -15.301 -10.106 1.00 0.00 O ATOM 724 CB ARG A 81 19.920 -11.921 -10.162 1.00 0.00 C ATOM 725 CG ARG A 81 19.524 -12.335 -11.587 1.00 0.00 C ATOM 726 CD ARG A 81 18.141 -12.999 -11.583 1.00 0.00 C ATOM 727 NE ARG A 81 17.566 -13.025 -12.932 1.00 0.00 N ATOM 728 CZ ARG A 81 16.391 -13.610 -13.218 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.683 -14.206 -12.249 1.00 0.00 N ATOM 730 NH2 ARG A 81 15.924 -13.596 -14.473 1.00 0.00 N ATOM 0 H ARG A 81 20.722 -11.812 -7.841 1.00 0.00 H new ATOM 0 HA ARG A 81 18.871 -13.539 -9.216 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.241 -11.149 -9.799 1.00 0.00 H new ATOM 0 HB3 ARG A 81 20.920 -11.488 -10.167 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.513 -11.460 -12.237 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.265 -13.024 -11.992 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.223 -14.016 -11.199 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.476 -12.457 -10.911 1.00 0.00 H new ATOM 0 HE ARG A 81 18.083 -12.578 -13.689 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.036 -14.216 -11.292 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.791 -14.650 -12.468 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.460 -13.141 -15.212 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.032 -14.040 -14.690 1.00 0.00 H new ATOM 744 N TRP A 82 22.137 -13.975 -9.672 1.00 0.00 N ATOM 745 CA TRP A 82 23.103 -14.932 -10.183 1.00 0.00 C ATOM 746 C TRP A 82 23.264 -16.138 -9.258 1.00 0.00 C ATOM 747 O TRP A 82 23.094 -17.266 -9.706 1.00 0.00 O ATOM 748 CB TRP A 82 24.454 -14.265 -10.406 1.00 0.00 C ATOM 749 CG TRP A 82 25.403 -15.151 -11.143 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.318 -15.959 -10.584 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.501 -15.389 -12.577 1.00 0.00 C ATOM 752 NE1 TRP A 82 26.971 -16.694 -11.541 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.502 -16.384 -12.803 1.00 0.00 C ATOM 754 CE3 TRP A 82 24.837 -14.879 -13.714 1.00 0.00 C ATOM 755 CZ2 TRP A 82 26.816 -16.852 -14.081 1.00 0.00 C ATOM 756 CZ3 TRP A 82 25.151 -15.350 -15.007 1.00 0.00 C ATOM 757 CH2 TRP A 82 26.132 -16.341 -15.187 1.00 0.00 C ATOM 0 H TRP A 82 22.544 -13.116 -9.302 1.00 0.00 H new ATOM 0 HA TRP A 82 22.718 -15.294 -11.136 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.313 -13.340 -10.966 1.00 0.00 H new ATOM 0 HB3 TRP A 82 24.887 -13.992 -9.443 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.514 -16.022 -9.524 1.00 0.00 H new ATOM 0 HE1 TRP A 82 27.703 -17.377 -11.347 1.00 0.00 H new ATOM 0 HE3 TRP A 82 24.079 -14.119 -13.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 27.581 -17.603 -14.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 24.634 -14.946 -15.865 1.00 0.00 H new ATOM 0 HH2 TRP A 82 26.356 -16.707 -16.178 1.00 0.00 H new ATOM 768 N GLN A 83 23.612 -15.912 -7.979 1.00 0.00 N ATOM 769 CA GLN A 83 23.863 -17.007 -7.033 1.00 0.00 C ATOM 770 C GLN A 83 22.549 -17.624 -6.544 1.00 0.00 C ATOM 771 O GLN A 83 22.385 -17.892 -5.350 1.00 0.00 O ATOM 772 CB GLN A 83 24.695 -16.488 -5.851 1.00 0.00 C ATOM 773 CG GLN A 83 26.034 -15.942 -6.359 1.00 0.00 C ATOM 774 CD GLN A 83 27.017 -15.724 -5.210 1.00 0.00 C ATOM 775 OE1 GLN A 83 27.426 -14.597 -4.941 1.00 0.00 O ATOM 776 NE2 GLN A 83 27.398 -16.807 -4.532 1.00 0.00 N ATOM 0 H GLN A 83 23.725 -14.980 -7.579 1.00 0.00 H new ATOM 0 HA GLN A 83 24.423 -17.790 -7.544 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.148 -15.705 -5.326 1.00 0.00 H new ATOM 0 HB3 GLN A 83 24.868 -17.292 -5.135 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.463 -16.638 -7.080 1.00 0.00 H new ATOM 0 HG3 GLN A 83 25.870 -15.001 -6.883 1.00 0.00 H new ATOM 0 HE21 GLN A 83 27.033 -17.724 -4.789 1.00 0.00 H new ATOM 0 HE22 GLN A 83 28.054 -16.718 -3.756 1.00 0.00 H new ATOM 785 N LYS A 84 21.616 -17.852 -7.467 1.00 0.00 N ATOM 786 CA LYS A 84 20.339 -18.458 -7.151 1.00 0.00 C ATOM 787 C LYS A 84 19.696 -18.985 -8.438 1.00 0.00 C ATOM 788 O LYS A 84 19.046 -20.030 -8.418 1.00 0.00 O ATOM 789 CB LYS A 84 19.449 -17.428 -6.441 1.00 0.00 C ATOM 790 CG LYS A 84 18.646 -18.102 -5.319 1.00 0.00 C ATOM 791 CD LYS A 84 18.277 -17.081 -4.227 1.00 0.00 C ATOM 792 CE LYS A 84 19.531 -16.536 -3.517 1.00 0.00 C ATOM 793 NZ LYS A 84 20.540 -17.587 -3.283 1.00 0.00 N ATOM 0 H LYS A 84 21.731 -17.619 -8.453 1.00 0.00 H new ATOM 0 HA LYS A 84 20.472 -19.303 -6.476 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.064 -16.629 -6.028 1.00 0.00 H new ATOM 0 HB3 LYS A 84 18.769 -16.968 -7.159 1.00 0.00 H new ATOM 0 HG2 LYS A 84 17.740 -18.546 -5.730 1.00 0.00 H new ATOM 0 HG3 LYS A 84 19.230 -18.913 -4.884 1.00 0.00 H new ATOM 0 HD2 LYS A 84 17.722 -16.255 -4.672 1.00 0.00 H new ATOM 0 HD3 LYS A 84 17.619 -17.550 -3.496 1.00 0.00 H new ATOM 0 HE2 LYS A 84 19.970 -15.740 -4.119 1.00 0.00 H new ATOM 0 HE3 LYS A 84 19.243 -16.093 -2.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 21.221 -17.261 -2.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 20.070 -18.451 -2.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 21.042 -17.791 -4.171 1.00 0.00 H new ATOM 807 N VAL A 85 19.886 -18.252 -9.556 1.00 0.00 N ATOM 808 CA VAL A 85 19.348 -18.639 -10.857 1.00 0.00 C ATOM 809 C VAL A 85 20.503 -18.677 -11.886 1.00 0.00 C ATOM 810 O VAL A 85 21.619 -19.061 -11.541 1.00 0.00 O ATOM 811 CB VAL A 85 18.228 -17.654 -11.271 1.00 0.00 C ATOM 812 CG1 VAL A 85 17.213 -18.375 -12.167 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.494 -17.123 -10.029 1.00 0.00 C ATOM 0 H VAL A 85 20.416 -17.381 -9.572 1.00 0.00 H new ATOM 0 HA VAL A 85 18.904 -19.633 -10.810 1.00 0.00 H new ATOM 0 HB VAL A 85 18.683 -16.822 -11.808 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.425 -17.680 -12.457 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.716 -18.747 -13.060 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.776 -19.211 -11.622 1.00 0.00 H new ATOM 0 HG21 VAL A 85 16.710 -16.432 -10.338 1.00 0.00 H new ATOM 0 HG22 VAL A 85 17.050 -17.956 -9.485 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.201 -16.604 -9.383 1.00 0.00 H new ATOM 823 N LEU A 86 20.226 -18.281 -13.144 1.00 0.00 N ATOM 824 CA LEU A 86 21.214 -18.279 -14.229 1.00 0.00 C ATOM 825 C LEU A 86 21.963 -19.621 -14.274 1.00 0.00 C ATOM 826 O LEU A 86 21.355 -20.649 -14.566 1.00 0.00 O ATOM 827 CB LEU A 86 22.189 -17.086 -14.084 1.00 0.00 C ATOM 828 CG LEU A 86 21.558 -15.764 -14.573 1.00 0.00 C ATOM 829 CD1 LEU A 86 21.075 -15.897 -16.023 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.397 -15.357 -13.672 1.00 0.00 C ATOM 0 H LEU A 86 19.304 -17.953 -13.432 1.00 0.00 H new ATOM 0 HA LEU A 86 20.690 -18.157 -15.177 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.484 -16.983 -13.040 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.096 -17.288 -14.653 1.00 0.00 H new ATOM 0 HG LEU A 86 22.323 -14.989 -14.530 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.634 -14.955 -16.347 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.920 -16.143 -16.667 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.328 -16.688 -16.087 1.00 0.00 H new ATOM 0 HD21 LEU A 86 19.966 -14.423 -14.033 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.636 -16.137 -13.685 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.758 -15.219 -12.653 1.00 0.00 H new