USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=9 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 X(o=-0.49,f=-0.5) USER MOD Set 1.2: A 83 GLN : amide:sc= -0.493 K(o=-0.49,f=-3.1!) USER MOD Set 2.1: A 74 THR OG1 : rot 158:sc= 0.698 USER MOD Set 2.2: A 77 GLN : amide:sc= 0.353 K(o=1.1,f=-0.76) USER MOD Set 3.1: A 64 LYS NZ :NH3+ -167:sc= 0.883 (180deg=-0.256) USER MOD Set 3.2: A 68 ASN : amide:sc= 0.046 K(o=0.93,f=-6.6!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0603 USER MOD Single : A 50 LYS NZ :NH3+ -153:sc= 1.27 (180deg=1.12) USER MOD Single : A 52 LYS NZ :NH3+ -151:sc= 1.16 (180deg=-0.17!) USER MOD Single : A 53 LYS NZ :NH3+ -151:sc= 1.31 (180deg=1.14) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 58 ASN : amide:sc= 0.197 K(o=0.2,f=-5.3!) 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= -0.0448 X(o=-0.045,f=-0.045) USER MOD Single : A 78 CYS SG : rot 77:sc= 0.0132 USER MOD Single : A 80 HIS : no HD1:sc= -0.0537 X(o=-0.054,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 13.280 -8.851 -13.159 1.00 0.00 N ATOM 90 CA TRP A 43 14.408 -8.993 -14.067 1.00 0.00 C ATOM 91 C TRP A 43 13.908 -9.445 -15.436 1.00 0.00 C ATOM 92 O TRP A 43 12.814 -9.996 -15.553 1.00 0.00 O ATOM 93 CB TRP A 43 15.399 -10.010 -13.492 1.00 0.00 C ATOM 94 CG TRP A 43 16.286 -9.477 -12.410 1.00 0.00 C ATOM 95 CD1 TRP A 43 15.982 -9.416 -11.103 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.631 -8.923 -12.520 1.00 0.00 C ATOM 97 NE1 TRP A 43 17.016 -8.869 -10.382 1.00 0.00 N ATOM 98 CE2 TRP A 43 18.075 -8.543 -11.213 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.528 -8.701 -13.589 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.336 -7.977 -10.985 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.795 -8.124 -13.366 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.198 -7.764 -12.067 1.00 0.00 C ATOM 0 HA TRP A 43 14.915 -8.035 -14.181 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.840 -10.859 -13.099 1.00 0.00 H new ATOM 0 HB3 TRP A 43 16.023 -10.386 -14.302 1.00 0.00 H new ATOM 0 HD1 TRP A 43 15.049 -9.752 -10.676 1.00 0.00 H new ATOM 0 HE1 TRP A 43 17.005 -8.723 -9.373 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.239 -8.978 -14.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.640 -7.708 -9.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.462 -7.957 -14.199 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.171 -7.324 -11.905 1.00 0.00 H new ATOM 113 N THR A 44 14.720 -9.207 -16.470 1.00 0.00 N ATOM 114 CA THR A 44 14.384 -9.578 -17.836 1.00 0.00 C ATOM 115 C THR A 44 15.668 -9.607 -18.666 1.00 0.00 C ATOM 116 O THR A 44 16.699 -9.129 -18.206 1.00 0.00 O ATOM 117 CB THR A 44 13.364 -8.578 -18.409 1.00 0.00 C ATOM 118 OG1 THR A 44 13.004 -8.965 -19.718 1.00 0.00 O ATOM 119 CG2 THR A 44 13.962 -7.167 -18.443 1.00 0.00 C ATOM 0 H THR A 44 15.628 -8.751 -16.377 1.00 0.00 H new ATOM 0 HA THR A 44 13.928 -10.568 -17.863 1.00 0.00 H new ATOM 0 HB THR A 44 12.481 -8.574 -17.770 1.00 0.00 H new ATOM 0 HG1 THR A 44 12.353 -8.328 -20.080 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.229 -6.471 -18.851 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.230 -6.861 -17.432 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.853 -7.164 -19.071 1.00 0.00 H new ATOM 127 N ARG A 45 15.596 -10.171 -19.884 1.00 0.00 N ATOM 128 CA ARG A 45 16.753 -10.294 -20.775 1.00 0.00 C ATOM 129 C ARG A 45 17.562 -8.995 -20.811 1.00 0.00 C ATOM 130 O ARG A 45 18.790 -9.027 -20.753 1.00 0.00 O ATOM 131 CB ARG A 45 16.264 -10.648 -22.184 1.00 0.00 C ATOM 132 CG ARG A 45 17.447 -11.121 -23.048 1.00 0.00 C ATOM 133 CD ARG A 45 17.479 -10.362 -24.383 1.00 0.00 C ATOM 134 NE ARG A 45 18.263 -9.114 -24.273 1.00 0.00 N ATOM 135 CZ ARG A 45 17.734 -7.874 -24.331 1.00 0.00 C ATOM 136 NH1 ARG A 45 16.408 -7.681 -24.266 1.00 0.00 N ATOM 137 NH2 ARG A 45 18.551 -6.824 -24.451 1.00 0.00 N ATOM 0 H ARG A 45 14.734 -10.552 -20.274 1.00 0.00 H new ATOM 0 HA ARG A 45 17.405 -11.082 -20.399 1.00 0.00 H new ATOM 0 HB2 ARG A 45 15.507 -11.430 -22.129 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.792 -9.779 -22.643 1.00 0.00 H new ATOM 0 HG2 ARG A 45 18.382 -10.963 -22.511 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.363 -12.192 -23.234 1.00 0.00 H new ATOM 0 HD2 ARG A 45 17.911 -10.998 -25.155 1.00 0.00 H new ATOM 0 HD3 ARG A 45 16.461 -10.128 -24.695 1.00 0.00 H new ATOM 0 HE ARG A 45 19.272 -9.195 -24.145 1.00 0.00 H new ATOM 0 HH11 ARG A 45 15.780 -8.479 -24.171 1.00 0.00 H new ATOM 0 HH12 ARG A 45 16.027 -6.736 -24.312 1.00 0.00 H new ATOM 0 HH21 ARG A 45 19.560 -6.966 -24.498 1.00 0.00 H new ATOM 0 HH22 ARG A 45 18.166 -5.881 -24.496 1.00 0.00 H new ATOM 151 N GLU A 46 16.861 -7.859 -20.915 1.00 0.00 N ATOM 152 CA GLU A 46 17.487 -6.547 -20.993 1.00 0.00 C ATOM 153 C GLU A 46 18.524 -6.360 -19.882 1.00 0.00 C ATOM 154 O GLU A 46 19.627 -5.889 -20.142 1.00 0.00 O ATOM 155 CB GLU A 46 16.393 -5.469 -20.898 1.00 0.00 C ATOM 156 CG GLU A 46 16.782 -4.246 -21.735 1.00 0.00 C ATOM 157 CD GLU A 46 16.739 -4.566 -23.225 1.00 0.00 C ATOM 158 OE1 GLU A 46 15.704 -5.114 -23.662 1.00 0.00 O ATOM 159 OE2 GLU A 46 17.745 -4.266 -23.901 1.00 0.00 O ATOM 0 H GLU A 46 15.842 -7.831 -20.947 1.00 0.00 H new ATOM 0 HA GLU A 46 18.012 -6.458 -21.944 1.00 0.00 H new ATOM 0 HB2 GLU A 46 15.443 -5.872 -21.249 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.250 -5.176 -19.858 1.00 0.00 H new ATOM 0 HG2 GLU A 46 16.103 -3.421 -21.517 1.00 0.00 H new ATOM 0 HG3 GLU A 46 17.784 -3.916 -21.459 1.00 0.00 H new ATOM 166 N GLU A 47 18.163 -6.720 -18.646 1.00 0.00 N ATOM 167 CA GLU A 47 19.042 -6.540 -17.498 1.00 0.00 C ATOM 168 C GLU A 47 19.924 -7.774 -17.281 1.00 0.00 C ATOM 169 O GLU A 47 21.055 -7.654 -16.814 1.00 0.00 O ATOM 170 CB GLU A 47 18.181 -6.274 -16.260 1.00 0.00 C ATOM 171 CG GLU A 47 18.962 -5.430 -15.250 1.00 0.00 C ATOM 172 CD GLU A 47 18.620 -3.955 -15.403 1.00 0.00 C ATOM 173 OE1 GLU A 47 19.256 -3.305 -16.265 1.00 0.00 O ATOM 174 OE2 GLU A 47 17.724 -3.506 -14.655 1.00 0.00 O ATOM 0 H GLU A 47 17.261 -7.140 -18.420 1.00 0.00 H new ATOM 0 HA GLU A 47 19.704 -5.693 -17.680 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.266 -5.757 -16.548 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.884 -7.218 -15.804 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.730 -5.759 -14.237 1.00 0.00 H new ATOM 0 HG3 GLU A 47 20.032 -5.577 -15.396 1.00 0.00 H new ATOM 181 N ASP A 48 19.407 -8.959 -17.607 1.00 0.00 N ATOM 182 CA ASP A 48 20.136 -10.200 -17.406 1.00 0.00 C ATOM 183 C ASP A 48 21.427 -10.202 -18.215 1.00 0.00 C ATOM 184 O ASP A 48 22.475 -10.571 -17.690 1.00 0.00 O ATOM 185 CB ASP A 48 19.253 -11.389 -17.801 1.00 0.00 C ATOM 186 CG ASP A 48 18.137 -11.617 -16.787 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.404 -11.417 -15.583 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.031 -11.997 -17.227 1.00 0.00 O ATOM 0 H ASP A 48 18.479 -9.080 -18.014 1.00 0.00 H new ATOM 0 HA ASP A 48 20.398 -10.287 -16.352 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.821 -11.211 -18.786 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.865 -12.288 -17.879 1.00 0.00 H new ATOM 193 N GLU A 49 21.365 -9.799 -19.494 1.00 0.00 N ATOM 194 CA GLU A 49 22.552 -9.801 -20.335 1.00 0.00 C ATOM 195 C GLU A 49 23.618 -8.872 -19.748 1.00 0.00 C ATOM 196 O GLU A 49 24.804 -9.179 -19.833 1.00 0.00 O ATOM 197 CB GLU A 49 22.200 -9.436 -21.789 1.00 0.00 C ATOM 198 CG GLU A 49 21.879 -7.946 -21.942 1.00 0.00 C ATOM 199 CD GLU A 49 21.847 -7.567 -23.413 1.00 0.00 C ATOM 200 OE1 GLU A 49 20.902 -8.018 -24.096 1.00 0.00 O ATOM 201 OE2 GLU A 49 22.775 -6.835 -23.830 1.00 0.00 O ATOM 0 H GLU A 49 20.515 -9.474 -19.955 1.00 0.00 H new ATOM 0 HA GLU A 49 22.967 -10.809 -20.356 1.00 0.00 H new ATOM 0 HB2 GLU A 49 23.034 -9.697 -22.441 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.344 -10.027 -22.115 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.917 -7.724 -21.480 1.00 0.00 H new ATOM 0 HG3 GLU A 49 22.628 -7.349 -21.421 1.00 0.00 H new ATOM 208 N LYS A 50 23.199 -7.742 -19.144 1.00 0.00 N ATOM 209 CA LYS A 50 24.137 -6.808 -18.531 1.00 0.00 C ATOM 210 C LYS A 50 24.920 -7.541 -17.451 1.00 0.00 C ATOM 211 O LYS A 50 26.147 -7.502 -17.433 1.00 0.00 O ATOM 212 CB LYS A 50 23.392 -5.620 -17.915 1.00 0.00 C ATOM 213 CG LYS A 50 22.719 -4.768 -18.991 1.00 0.00 C ATOM 214 CD LYS A 50 21.959 -3.630 -18.300 1.00 0.00 C ATOM 215 CE LYS A 50 21.034 -2.923 -19.292 1.00 0.00 C ATOM 216 NZ LYS A 50 20.052 -2.083 -18.578 1.00 0.00 N ATOM 0 H LYS A 50 22.220 -7.464 -19.073 1.00 0.00 H new ATOM 0 HA LYS A 50 24.815 -6.426 -19.294 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.641 -5.983 -17.213 1.00 0.00 H new ATOM 0 HB3 LYS A 50 24.090 -5.006 -17.346 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.464 -4.365 -19.677 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.035 -5.376 -19.584 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.376 -4.027 -17.469 1.00 0.00 H new ATOM 0 HD3 LYS A 50 22.666 -2.915 -17.880 1.00 0.00 H new ATOM 0 HE2 LYS A 50 21.623 -2.306 -19.971 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.514 -3.661 -19.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.193 -1.985 -19.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.809 -2.529 -17.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.461 -1.143 -18.404 1.00 0.00 H new ATOM 230 N LEU A 51 24.197 -8.214 -16.549 1.00 0.00 N ATOM 231 CA LEU A 51 24.812 -8.958 -15.467 1.00 0.00 C ATOM 232 C LEU A 51 25.728 -10.042 -16.040 1.00 0.00 C ATOM 233 O LEU A 51 26.819 -10.265 -15.525 1.00 0.00 O ATOM 234 CB LEU A 51 23.707 -9.567 -14.589 1.00 0.00 C ATOM 235 CG LEU A 51 24.295 -10.143 -13.290 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.941 -9.030 -12.462 1.00 0.00 C ATOM 237 CD2 LEU A 51 23.175 -10.784 -12.471 1.00 0.00 C ATOM 0 H LEU A 51 23.178 -8.253 -16.556 1.00 0.00 H new ATOM 0 HA LEU A 51 25.422 -8.296 -14.852 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.965 -8.805 -14.351 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.191 -10.354 -15.140 1.00 0.00 H new ATOM 0 HG LEU A 51 25.050 -10.887 -13.543 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.353 -9.451 -11.545 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.740 -8.564 -13.039 1.00 0.00 H new ATOM 0 HD13 LEU A 51 24.190 -8.280 -12.211 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.587 -11.194 -11.549 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.424 -10.032 -12.230 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.714 -11.584 -13.049 1.00 0.00 H new ATOM 249 N LYS A 52 25.280 -10.709 -17.112 1.00 0.00 N ATOM 250 CA LYS A 52 26.053 -11.763 -17.754 1.00 0.00 C ATOM 251 C LYS A 52 27.414 -11.225 -18.211 1.00 0.00 C ATOM 252 O LYS A 52 28.447 -11.703 -17.751 1.00 0.00 O ATOM 253 CB LYS A 52 25.250 -12.325 -18.946 1.00 0.00 C ATOM 254 CG LYS A 52 25.480 -13.840 -19.099 1.00 0.00 C ATOM 255 CD LYS A 52 26.909 -14.150 -19.578 1.00 0.00 C ATOM 256 CE LYS A 52 27.168 -13.504 -20.946 1.00 0.00 C ATOM 257 NZ LYS A 52 28.221 -14.228 -21.684 1.00 0.00 N ATOM 0 H LYS A 52 24.377 -10.530 -17.551 1.00 0.00 H new ATOM 0 HA LYS A 52 26.238 -12.567 -17.042 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.188 -12.127 -18.800 1.00 0.00 H new ATOM 0 HB3 LYS A 52 25.546 -11.814 -19.862 1.00 0.00 H new ATOM 0 HG2 LYS A 52 25.300 -14.334 -18.144 1.00 0.00 H new ATOM 0 HG3 LYS A 52 24.761 -14.248 -19.809 1.00 0.00 H new ATOM 0 HD2 LYS A 52 27.631 -13.779 -18.851 1.00 0.00 H new ATOM 0 HD3 LYS A 52 27.050 -15.229 -19.646 1.00 0.00 H new ATOM 0 HE2 LYS A 52 26.248 -13.500 -21.530 1.00 0.00 H new ATOM 0 HE3 LYS A 52 27.464 -12.464 -20.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 28.718 -13.568 -22.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 28.898 -14.638 -21.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 27.790 -14.989 -22.247 1.00 0.00 H new ATOM 271 N LYS A 53 27.418 -10.241 -19.124 1.00 0.00 N ATOM 272 CA LYS A 53 28.663 -9.707 -19.667 1.00 0.00 C ATOM 273 C LYS A 53 29.520 -9.074 -18.562 1.00 0.00 C ATOM 274 O LYS A 53 30.742 -9.184 -18.602 1.00 0.00 O ATOM 275 CB LYS A 53 28.370 -8.720 -20.816 1.00 0.00 C ATOM 276 CG LYS A 53 27.633 -7.473 -20.311 1.00 0.00 C ATOM 277 CD LYS A 53 27.186 -6.608 -21.503 1.00 0.00 C ATOM 278 CE LYS A 53 25.895 -7.174 -22.117 1.00 0.00 C ATOM 279 NZ LYS A 53 25.400 -6.319 -23.213 1.00 0.00 N ATOM 0 H LYS A 53 26.574 -9.805 -19.496 1.00 0.00 H new ATOM 0 HA LYS A 53 29.244 -10.530 -20.083 1.00 0.00 H new ATOM 0 HB2 LYS A 53 29.306 -8.424 -21.290 1.00 0.00 H new ATOM 0 HB3 LYS A 53 27.769 -9.215 -21.578 1.00 0.00 H new ATOM 0 HG2 LYS A 53 26.766 -7.767 -19.719 1.00 0.00 H new ATOM 0 HG3 LYS A 53 28.285 -6.895 -19.656 1.00 0.00 H new ATOM 0 HD2 LYS A 53 27.021 -5.582 -21.175 1.00 0.00 H new ATOM 0 HD3 LYS A 53 27.973 -6.580 -22.256 1.00 0.00 H new ATOM 0 HE2 LYS A 53 26.080 -8.180 -22.494 1.00 0.00 H new ATOM 0 HE3 LYS A 53 25.130 -7.258 -21.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 24.365 -6.402 -23.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 25.657 -5.329 -23.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 25.828 -6.623 -24.111 1.00 0.00 H new ATOM 293 N LEU A 54 28.894 -8.423 -17.571 1.00 0.00 N ATOM 294 CA LEU A 54 29.642 -7.815 -16.475 1.00 0.00 C ATOM 295 C LEU A 54 30.385 -8.903 -15.700 1.00 0.00 C ATOM 296 O LEU A 54 31.606 -8.853 -15.586 1.00 0.00 O ATOM 297 CB LEU A 54 28.693 -7.040 -15.549 1.00 0.00 C ATOM 298 CG LEU A 54 28.382 -5.654 -16.141 1.00 0.00 C ATOM 299 CD1 LEU A 54 27.151 -5.067 -15.447 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.573 -4.711 -15.929 1.00 0.00 C ATOM 0 H LEU A 54 27.882 -8.308 -17.511 1.00 0.00 H new ATOM 0 HA LEU A 54 30.369 -7.111 -16.880 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.768 -7.601 -15.413 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.146 -6.929 -14.564 1.00 0.00 H new ATOM 0 HG LEU A 54 28.192 -5.761 -17.209 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.931 -4.085 -15.866 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.297 -5.727 -15.601 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.347 -4.970 -14.379 1.00 0.00 H new ATOM 0 HD21 LEU A 54 29.342 -3.733 -16.352 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.770 -4.608 -14.862 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.454 -5.121 -16.423 1.00 0.00 H new ATOM 312 N VAL A 55 29.645 -9.888 -15.174 1.00 0.00 N ATOM 313 CA VAL A 55 30.233 -10.986 -14.415 1.00 0.00 C ATOM 314 C VAL A 55 31.314 -11.678 -15.250 1.00 0.00 C ATOM 315 O VAL A 55 32.367 -12.035 -14.729 1.00 0.00 O ATOM 316 CB VAL A 55 29.124 -11.976 -14.014 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.741 -13.286 -13.513 1.00 0.00 C ATOM 318 CG2 VAL A 55 28.270 -11.365 -12.899 1.00 0.00 C ATOM 0 H VAL A 55 28.630 -9.941 -15.265 1.00 0.00 H new ATOM 0 HA VAL A 55 30.702 -10.601 -13.510 1.00 0.00 H new ATOM 0 HB VAL A 55 28.503 -12.181 -14.886 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.947 -13.978 -13.232 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.346 -13.729 -14.304 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.369 -13.084 -12.646 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.485 -12.066 -12.616 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.898 -11.154 -12.033 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.818 -10.439 -13.253 1.00 0.00 H new ATOM 328 N GLU A 56 31.048 -11.864 -16.546 1.00 0.00 N ATOM 329 CA GLU A 56 31.988 -12.509 -17.449 1.00 0.00 C ATOM 330 C GLU A 56 33.301 -11.720 -17.504 1.00 0.00 C ATOM 331 O GLU A 56 34.377 -12.313 -17.565 1.00 0.00 O ATOM 332 CB GLU A 56 31.344 -12.610 -18.835 1.00 0.00 C ATOM 333 CG GLU A 56 32.160 -13.536 -19.737 1.00 0.00 C ATOM 334 CD GLU A 56 31.333 -13.961 -20.941 1.00 0.00 C ATOM 335 OE1 GLU A 56 30.639 -14.995 -20.817 1.00 0.00 O ATOM 336 OE2 GLU A 56 31.394 -13.244 -21.961 1.00 0.00 O ATOM 0 H GLU A 56 30.178 -11.571 -16.991 1.00 0.00 H new ATOM 0 HA GLU A 56 32.224 -13.511 -17.090 1.00 0.00 H new ATOM 0 HB2 GLU A 56 30.325 -12.987 -18.743 1.00 0.00 H new ATOM 0 HB3 GLU A 56 31.278 -11.619 -19.285 1.00 0.00 H new ATOM 0 HG2 GLU A 56 33.065 -13.027 -20.070 1.00 0.00 H new ATOM 0 HG3 GLU A 56 32.477 -14.415 -19.176 1.00 0.00 H new ATOM 343 N GLN A 57 33.212 -10.382 -17.482 1.00 0.00 N ATOM 344 CA GLN A 57 34.390 -9.528 -17.539 1.00 0.00 C ATOM 345 C GLN A 57 35.139 -9.560 -16.204 1.00 0.00 C ATOM 346 O GLN A 57 36.319 -9.903 -16.171 1.00 0.00 O ATOM 347 CB GLN A 57 33.974 -8.091 -17.896 1.00 0.00 C ATOM 348 CG GLN A 57 34.248 -7.814 -19.380 1.00 0.00 C ATOM 349 CD GLN A 57 33.329 -8.635 -20.281 1.00 0.00 C ATOM 350 OE1 GLN A 57 33.554 -9.824 -20.485 1.00 0.00 O ATOM 351 NE2 GLN A 57 32.294 -7.995 -20.826 1.00 0.00 N ATOM 0 H GLN A 57 32.329 -9.874 -17.425 1.00 0.00 H new ATOM 0 HA GLN A 57 35.062 -9.900 -18.312 1.00 0.00 H new ATOM 0 HB2 GLN A 57 32.915 -7.947 -17.681 1.00 0.00 H new ATOM 0 HB3 GLN A 57 34.524 -7.381 -17.278 1.00 0.00 H new ATOM 0 HG2 GLN A 57 34.107 -6.753 -19.585 1.00 0.00 H new ATOM 0 HG3 GLN A 57 35.288 -8.048 -19.609 1.00 0.00 H new ATOM 0 HE21 GLN A 57 32.145 -7.005 -20.629 1.00 0.00 H new ATOM 0 HE22 GLN A 57 31.651 -8.495 -21.440 1.00 0.00 H new ATOM 360 N ASN A 58 34.460 -9.194 -15.104 1.00 0.00 N ATOM 361 CA ASN A 58 35.095 -9.159 -13.784 1.00 0.00 C ATOM 362 C ASN A 58 34.951 -10.517 -13.088 1.00 0.00 C ATOM 363 O ASN A 58 35.885 -11.317 -13.107 1.00 0.00 O ATOM 364 CB ASN A 58 34.518 -8.012 -12.926 1.00 0.00 C ATOM 365 CG ASN A 58 33.042 -7.747 -13.218 1.00 0.00 C ATOM 366 OD1 ASN A 58 32.174 -8.480 -12.760 1.00 0.00 O ATOM 367 ND2 ASN A 58 32.762 -6.688 -13.980 1.00 0.00 N ATOM 0 H ASN A 58 33.477 -8.920 -15.106 1.00 0.00 H new ATOM 0 HA ASN A 58 36.159 -8.962 -13.913 1.00 0.00 H new ATOM 0 HB2 ASN A 58 34.638 -8.257 -11.871 1.00 0.00 H new ATOM 0 HB3 ASN A 58 35.090 -7.102 -13.109 1.00 0.00 H new ATOM 0 HD21 ASN A 58 31.793 -6.462 -14.202 1.00 0.00 H new ATOM 0 HD22 ASN A 58 33.517 -6.105 -14.340 1.00 0.00 H new ATOM 374 N GLY A 59 33.795 -10.780 -12.469 1.00 0.00 N ATOM 375 CA GLY A 59 33.569 -12.034 -11.765 1.00 0.00 C ATOM 376 C GLY A 59 32.350 -11.915 -10.857 1.00 0.00 C ATOM 377 O GLY A 59 31.488 -11.072 -11.084 1.00 0.00 O ATOM 0 H GLY A 59 33.004 -10.136 -12.445 1.00 0.00 H new ATOM 0 HA2 GLY A 59 33.420 -12.841 -12.483 1.00 0.00 H new ATOM 0 HA3 GLY A 59 34.448 -12.292 -11.174 1.00 0.00 H new ATOM 381 N THR A 60 32.286 -12.767 -9.826 1.00 0.00 N ATOM 382 CA THR A 60 31.180 -12.770 -8.873 1.00 0.00 C ATOM 383 C THR A 60 31.679 -12.350 -7.487 1.00 0.00 C ATOM 384 O THR A 60 31.045 -12.665 -6.482 1.00 0.00 O ATOM 385 CB THR A 60 30.575 -14.180 -8.822 1.00 0.00 C ATOM 386 OG1 THR A 60 31.588 -15.118 -8.524 1.00 0.00 O ATOM 387 CG2 THR A 60 29.946 -14.527 -10.172 1.00 0.00 C ATOM 0 H THR A 60 33.000 -13.470 -9.633 1.00 0.00 H new ATOM 0 HA THR A 60 30.417 -12.059 -9.189 1.00 0.00 H new ATOM 0 HB THR A 60 29.807 -14.210 -8.049 1.00 0.00 H new ATOM 0 HG1 THR A 60 31.201 -16.018 -8.490 1.00 0.00 H new ATOM 0 HG21 THR A 60 29.519 -15.529 -10.128 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.160 -13.808 -10.403 1.00 0.00 H new ATOM 0 HG23 THR A 60 30.710 -14.492 -10.949 1.00 0.00 H new ATOM 395 N ASP A 61 32.819 -11.645 -7.435 1.00 0.00 N ATOM 396 CA ASP A 61 33.410 -11.218 -6.174 1.00 0.00 C ATOM 397 C ASP A 61 32.878 -9.837 -5.784 1.00 0.00 C ATOM 398 O ASP A 61 32.076 -9.719 -4.857 1.00 0.00 O ATOM 399 CB ASP A 61 34.944 -11.210 -6.308 1.00 0.00 C ATOM 400 CG ASP A 61 35.579 -12.166 -5.308 1.00 0.00 C ATOM 401 OD1 ASP A 61 35.671 -11.771 -4.126 1.00 0.00 O ATOM 402 OD2 ASP A 61 35.960 -13.273 -5.744 1.00 0.00 O ATOM 0 H ASP A 61 33.347 -11.361 -8.261 1.00 0.00 H new ATOM 0 HA ASP A 61 33.135 -11.915 -5.382 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.227 -11.496 -7.321 1.00 0.00 H new ATOM 0 HB3 ASP A 61 35.323 -10.201 -6.144 1.00 0.00 H new ATOM 407 N ASP A 62 33.331 -8.792 -6.491 1.00 0.00 N ATOM 408 CA ASP A 62 32.928 -7.424 -6.197 1.00 0.00 C ATOM 409 C ASP A 62 31.532 -7.145 -6.752 1.00 0.00 C ATOM 410 O ASP A 62 31.379 -6.626 -7.860 1.00 0.00 O ATOM 411 CB ASP A 62 33.971 -6.441 -6.764 1.00 0.00 C ATOM 412 CG ASP A 62 34.552 -5.572 -5.657 1.00 0.00 C ATOM 413 OD1 ASP A 62 33.752 -4.828 -5.044 1.00 0.00 O ATOM 414 OD2 ASP A 62 35.779 -5.663 -5.444 1.00 0.00 O ATOM 0 H ASP A 62 33.980 -8.877 -7.273 1.00 0.00 H new ATOM 0 HA ASP A 62 32.882 -7.286 -5.117 1.00 0.00 H new ATOM 0 HB2 ASP A 62 34.771 -6.995 -7.255 1.00 0.00 H new ATOM 0 HB3 ASP A 62 33.508 -5.810 -7.523 1.00 0.00 H new ATOM 419 N TRP A 63 30.506 -7.483 -5.966 1.00 0.00 N ATOM 420 CA TRP A 63 29.129 -7.227 -6.351 1.00 0.00 C ATOM 421 C TRP A 63 28.843 -5.727 -6.279 1.00 0.00 C ATOM 422 O TRP A 63 27.903 -5.250 -6.904 1.00 0.00 O ATOM 423 CB TRP A 63 28.184 -8.019 -5.448 1.00 0.00 C ATOM 424 CG TRP A 63 28.120 -9.480 -5.767 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.399 -10.485 -4.918 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.762 -10.127 -7.027 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.250 -11.704 -5.534 1.00 0.00 N ATOM 428 CE2 TRP A 63 27.857 -11.544 -6.850 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.367 -9.668 -8.308 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.580 -12.446 -7.881 1.00 0.00 C ATOM 431 CZ3 TRP A 63 27.090 -10.577 -9.348 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.199 -11.961 -9.135 1.00 0.00 C ATOM 0 H TRP A 63 30.611 -7.936 -5.058 1.00 0.00 H new ATOM 0 HA TRP A 63 28.967 -7.553 -7.378 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.501 -7.897 -4.412 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.183 -7.596 -5.527 1.00 0.00 H new ATOM 0 HD1 TRP A 63 28.700 -10.352 -3.889 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.408 -12.605 -5.082 1.00 0.00 H new ATOM 0 HE3 TRP A 63 27.277 -8.607 -8.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 27.660 -13.509 -7.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.791 -10.206 -10.317 1.00 0.00 H new ATOM 0 HH2 TRP A 63 26.989 -12.650 -9.940 1.00 0.00 H new ATOM 443 N LYS A 64 29.665 -4.981 -5.524 1.00 0.00 N ATOM 444 CA LYS A 64 29.515 -3.541 -5.415 1.00 0.00 C ATOM 445 C LYS A 64 29.784 -2.903 -6.779 1.00 0.00 C ATOM 446 O LYS A 64 28.962 -2.142 -7.281 1.00 0.00 O ATOM 447 CB LYS A 64 30.495 -3.006 -4.364 1.00 0.00 C ATOM 448 CG LYS A 64 30.327 -1.487 -4.221 1.00 0.00 C ATOM 449 CD LYS A 64 31.535 -0.900 -3.485 1.00 0.00 C ATOM 450 CE LYS A 64 31.548 0.625 -3.642 1.00 0.00 C ATOM 451 NZ LYS A 64 31.880 1.020 -5.027 1.00 0.00 N ATOM 0 H LYS A 64 30.440 -5.363 -4.982 1.00 0.00 H new ATOM 0 HA LYS A 64 28.500 -3.292 -5.104 1.00 0.00 H new ATOM 0 HB2 LYS A 64 30.316 -3.493 -3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 64 31.519 -3.242 -4.655 1.00 0.00 H new ATOM 0 HG2 LYS A 64 30.231 -1.028 -5.205 1.00 0.00 H new ATOM 0 HG3 LYS A 64 29.412 -1.263 -3.674 1.00 0.00 H new ATOM 0 HD2 LYS A 64 31.493 -1.166 -2.429 1.00 0.00 H new ATOM 0 HD3 LYS A 64 32.457 -1.324 -3.884 1.00 0.00 H new ATOM 0 HE2 LYS A 64 30.573 1.029 -3.370 1.00 0.00 H new ATOM 0 HE3 LYS A 64 32.275 1.057 -2.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 32.097 2.037 -5.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 32.707 0.480 -5.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 31.070 0.822 -5.648 1.00 0.00 H new ATOM 465 N VAL A 65 30.942 -3.219 -7.372 1.00 0.00 N ATOM 466 CA VAL A 65 31.324 -2.683 -8.672 1.00 0.00 C ATOM 467 C VAL A 65 30.225 -2.977 -9.689 1.00 0.00 C ATOM 468 O VAL A 65 29.792 -2.088 -10.420 1.00 0.00 O ATOM 469 CB VAL A 65 32.654 -3.318 -9.110 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.017 -2.847 -10.519 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.766 -2.914 -8.139 1.00 0.00 C ATOM 0 H VAL A 65 31.632 -3.849 -6.963 1.00 0.00 H new ATOM 0 HA VAL A 65 31.454 -1.603 -8.606 1.00 0.00 H new ATOM 0 HB VAL A 65 32.545 -4.403 -9.108 1.00 0.00 H new ATOM 0 HG11 VAL A 65 33.960 -3.301 -10.823 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.232 -3.142 -11.215 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.118 -1.762 -10.525 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.706 -3.367 -8.454 1.00 0.00 H new ATOM 0 HG22 VAL A 65 33.869 -1.829 -8.135 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.516 -3.258 -7.136 1.00 0.00 H new ATOM 481 N ILE A 66 29.777 -4.231 -9.726 1.00 0.00 N ATOM 482 CA ILE A 66 28.733 -4.659 -10.639 1.00 0.00 C ATOM 483 C ILE A 66 27.456 -3.851 -10.377 1.00 0.00 C ATOM 484 O ILE A 66 26.827 -3.362 -11.315 1.00 0.00 O ATOM 485 CB ILE A 66 28.511 -6.169 -10.448 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.769 -6.919 -10.920 1.00 0.00 C ATOM 487 CG2 ILE A 66 27.299 -6.634 -11.259 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.778 -8.345 -10.377 1.00 0.00 C ATOM 0 H ILE A 66 30.131 -4.973 -9.123 1.00 0.00 H new ATOM 0 HA ILE A 66 29.022 -4.480 -11.675 1.00 0.00 H new ATOM 0 HB ILE A 66 28.325 -6.378 -9.395 1.00 0.00 H new ATOM 0 HG12 ILE A 66 29.800 -6.938 -12.009 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.661 -6.391 -10.585 1.00 0.00 H new ATOM 0 HG21 ILE A 66 27.154 -7.705 -11.115 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.410 -6.099 -10.925 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.469 -6.430 -12.316 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.675 -8.860 -10.721 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.770 -8.319 -9.287 1.00 0.00 H new ATOM 0 HD13 ILE A 66 28.895 -8.876 -10.734 1.00 0.00 H new ATOM 500 N ALA A 67 27.082 -3.708 -9.102 1.00 0.00 N ATOM 501 CA ALA A 67 25.893 -2.962 -8.719 1.00 0.00 C ATOM 502 C ALA A 67 25.997 -1.505 -9.174 1.00 0.00 C ATOM 503 O ALA A 67 24.996 -0.905 -9.546 1.00 0.00 O ATOM 504 CB ALA A 67 25.715 -3.037 -7.202 1.00 0.00 C ATOM 0 H ALA A 67 27.595 -4.106 -8.315 1.00 0.00 H new ATOM 0 HA ALA A 67 25.024 -3.404 -9.207 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.825 -2.479 -6.912 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.605 -4.078 -6.900 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.588 -2.607 -6.711 1.00 0.00 H new ATOM 510 N ASN A 68 27.206 -0.933 -9.145 1.00 0.00 N ATOM 511 CA ASN A 68 27.407 0.451 -9.557 1.00 0.00 C ATOM 512 C ASN A 68 27.163 0.597 -11.062 1.00 0.00 C ATOM 513 O ASN A 68 26.744 1.661 -11.514 1.00 0.00 O ATOM 514 CB ASN A 68 28.826 0.913 -9.188 1.00 0.00 C ATOM 515 CG ASN A 68 29.077 0.855 -7.677 1.00 0.00 C ATOM 516 OD1 ASN A 68 30.179 0.521 -7.241 1.00 0.00 O ATOM 517 ND2 ASN A 68 28.062 1.185 -6.874 1.00 0.00 N ATOM 0 H ASN A 68 28.055 -1.410 -8.841 1.00 0.00 H new ATOM 0 HA ASN A 68 26.692 1.083 -9.031 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.556 0.286 -9.700 1.00 0.00 H new ATOM 0 HB3 ASN A 68 28.978 1.933 -9.541 1.00 0.00 H new ATOM 0 HD21 ASN A 68 28.185 1.166 -5.862 1.00 0.00 H new ATOM 0 HD22 ASN A 68 27.163 1.457 -7.273 1.00 0.00 H new ATOM 524 N TYR A 69 27.422 -0.466 -11.840 1.00 0.00 N ATOM 525 CA TYR A 69 27.220 -0.427 -13.284 1.00 0.00 C ATOM 526 C TYR A 69 25.740 -0.624 -13.620 1.00 0.00 C ATOM 527 O TYR A 69 25.202 0.091 -14.463 1.00 0.00 O ATOM 528 CB TYR A 69 28.073 -1.509 -13.960 1.00 0.00 C ATOM 529 CG TYR A 69 29.536 -1.132 -14.096 1.00 0.00 C ATOM 530 CD1 TYR A 69 29.901 0.032 -14.799 1.00 0.00 C ATOM 531 CD2 TYR A 69 30.533 -1.949 -13.532 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.256 0.380 -14.931 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.888 -1.601 -13.669 1.00 0.00 C ATOM 534 CZ TYR A 69 32.248 -0.436 -14.366 1.00 0.00 C ATOM 535 OH TYR A 69 33.563 -0.098 -14.497 1.00 0.00 O ATOM 0 H TYR A 69 27.771 -1.358 -11.488 1.00 0.00 H new ATOM 0 HA TYR A 69 27.529 0.549 -13.658 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.996 -2.432 -13.385 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.666 -1.715 -14.950 1.00 0.00 H new ATOM 0 HD1 TYR A 69 29.138 0.658 -15.238 1.00 0.00 H new ATOM 0 HD2 TYR A 69 30.257 -2.844 -12.994 1.00 0.00 H new ATOM 0 HE1 TYR A 69 31.534 1.275 -15.467 1.00 0.00 H new ATOM 0 HE2 TYR A 69 32.653 -2.230 -13.238 1.00 0.00 H new ATOM 0 HH TYR A 69 34.119 -0.768 -14.047 1.00 0.00 H new ATOM 545 N LEU A 70 25.083 -1.593 -12.968 1.00 0.00 N ATOM 546 CA LEU A 70 23.674 -1.880 -13.224 1.00 0.00 C ATOM 547 C LEU A 70 22.790 -0.858 -12.486 1.00 0.00 C ATOM 548 O LEU A 70 22.852 -0.766 -11.263 1.00 0.00 O ATOM 549 CB LEU A 70 23.357 -3.297 -12.750 1.00 0.00 C ATOM 550 CG LEU A 70 23.871 -4.326 -13.764 1.00 0.00 C ATOM 551 CD1 LEU A 70 24.636 -5.424 -13.032 1.00 0.00 C ATOM 552 CD2 LEU A 70 22.689 -4.948 -14.507 1.00 0.00 C ATOM 0 H LEU A 70 25.510 -2.190 -12.259 1.00 0.00 H new ATOM 0 HA LEU A 70 23.471 -1.805 -14.292 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.817 -3.474 -11.778 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.281 -3.412 -12.619 1.00 0.00 H new ATOM 0 HG LEU A 70 24.531 -3.831 -14.476 1.00 0.00 H new ATOM 0 HD11 LEU A 70 25.001 -6.155 -13.753 1.00 0.00 H new ATOM 0 HD12 LEU A 70 25.480 -4.986 -12.500 1.00 0.00 H new ATOM 0 HD13 LEU A 70 23.974 -5.916 -12.320 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.056 -5.679 -15.227 1.00 0.00 H new ATOM 0 HD22 LEU A 70 22.029 -5.441 -13.793 1.00 0.00 H new ATOM 0 HD23 LEU A 70 22.137 -4.168 -15.031 1.00 0.00 H new ATOM 564 N PRO A 71 21.963 -0.082 -13.222 1.00 0.00 N ATOM 565 CA PRO A 71 21.124 0.942 -12.628 1.00 0.00 C ATOM 566 C PRO A 71 20.048 0.338 -11.720 1.00 0.00 C ATOM 567 O PRO A 71 19.273 -0.511 -12.153 1.00 0.00 O ATOM 568 CB PRO A 71 20.491 1.692 -13.805 1.00 0.00 C ATOM 569 CG PRO A 71 20.815 0.889 -15.069 1.00 0.00 C ATOM 570 CD PRO A 71 21.834 -0.174 -14.664 1.00 0.00 C ATOM 0 HA PRO A 71 21.709 1.606 -11.992 1.00 0.00 H new ATOM 0 HB2 PRO A 71 19.413 1.783 -13.671 1.00 0.00 H new ATOM 0 HB3 PRO A 71 20.889 2.704 -13.877 1.00 0.00 H new ATOM 0 HG2 PRO A 71 19.915 0.428 -15.476 1.00 0.00 H new ATOM 0 HG3 PRO A 71 21.220 1.537 -15.846 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.500 -1.168 -14.962 1.00 0.00 H new ATOM 0 HD3 PRO A 71 22.793 -0.000 -15.153 1.00 0.00 H new ATOM 578 N ASN A 72 20.004 0.807 -10.460 1.00 0.00 N ATOM 579 CA ASN A 72 18.998 0.399 -9.470 1.00 0.00 C ATOM 580 C ASN A 72 19.173 -1.057 -9.021 1.00 0.00 C ATOM 581 O ASN A 72 18.299 -1.588 -8.335 1.00 0.00 O ATOM 582 CB ASN A 72 17.583 0.613 -10.028 1.00 0.00 C ATOM 583 CG ASN A 72 17.428 2.004 -10.633 1.00 0.00 C ATOM 584 OD1 ASN A 72 17.422 2.999 -9.914 1.00 0.00 O ATOM 585 ND2 ASN A 72 17.303 2.072 -11.958 1.00 0.00 N ATOM 0 H ASN A 72 20.674 1.487 -10.100 1.00 0.00 H new ATOM 0 HA ASN A 72 19.142 1.027 -8.591 1.00 0.00 H new ATOM 0 HB2 ASN A 72 17.371 -0.141 -10.786 1.00 0.00 H new ATOM 0 HB3 ASN A 72 16.852 0.478 -9.231 1.00 0.00 H new ATOM 0 HD21 ASN A 72 17.197 2.978 -12.414 1.00 0.00 H new ATOM 0 HD22 ASN A 72 17.314 1.218 -12.516 1.00 0.00 H new ATOM 592 N ARG A 73 20.287 -1.704 -9.391 1.00 0.00 N ATOM 593 CA ARG A 73 20.544 -3.084 -8.990 1.00 0.00 C ATOM 594 C ARG A 73 21.579 -3.099 -7.875 1.00 0.00 C ATOM 595 O ARG A 73 22.772 -2.989 -8.133 1.00 0.00 O ATOM 596 CB ARG A 73 21.033 -3.902 -10.186 1.00 0.00 C ATOM 597 CG ARG A 73 20.043 -3.805 -11.353 1.00 0.00 C ATOM 598 CD ARG A 73 18.646 -4.239 -10.906 1.00 0.00 C ATOM 599 NE ARG A 73 17.764 -4.390 -12.065 1.00 0.00 N ATOM 600 CZ ARG A 73 16.666 -5.154 -12.059 1.00 0.00 C ATOM 601 NH1 ARG A 73 16.237 -5.720 -10.922 1.00 0.00 N ATOM 602 NH2 ARG A 73 15.994 -5.350 -13.196 1.00 0.00 N ATOM 0 H ARG A 73 21.020 -1.290 -9.966 1.00 0.00 H new ATOM 0 HA ARG A 73 19.620 -3.533 -8.627 1.00 0.00 H new ATOM 0 HB2 ARG A 73 22.012 -3.542 -10.503 1.00 0.00 H new ATOM 0 HB3 ARG A 73 21.156 -4.945 -9.893 1.00 0.00 H new ATOM 0 HG2 ARG A 73 20.010 -2.781 -11.726 1.00 0.00 H new ATOM 0 HG3 ARG A 73 20.380 -4.434 -12.177 1.00 0.00 H new ATOM 0 HD2 ARG A 73 18.708 -5.182 -10.362 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.231 -3.501 -10.219 1.00 0.00 H new ATOM 0 HE ARG A 73 17.999 -3.887 -12.921 1.00 0.00 H new ATOM 0 HH11 ARG A 73 16.749 -5.569 -10.053 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.399 -6.301 -10.926 1.00 0.00 H new ATOM 0 HH21 ARG A 73 16.319 -4.918 -14.061 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.156 -5.931 -13.199 1.00 0.00 H new ATOM 616 N THR A 74 21.112 -3.237 -6.634 1.00 0.00 N ATOM 617 CA THR A 74 21.988 -3.286 -5.476 1.00 0.00 C ATOM 618 C THR A 74 22.828 -4.565 -5.526 1.00 0.00 C ATOM 619 O THR A 74 22.501 -5.494 -6.264 1.00 0.00 O ATOM 620 CB THR A 74 21.132 -3.245 -4.198 1.00 0.00 C ATOM 621 OG1 THR A 74 19.868 -2.677 -4.485 1.00 0.00 O ATOM 622 CG2 THR A 74 21.830 -2.403 -3.128 1.00 0.00 C ATOM 0 H THR A 74 20.120 -3.317 -6.410 1.00 0.00 H new ATOM 0 HA THR A 74 22.663 -2.430 -5.477 1.00 0.00 H new ATOM 0 HB THR A 74 21.001 -4.263 -3.830 1.00 0.00 H new ATOM 0 HG1 THR A 74 19.220 -2.961 -3.807 1.00 0.00 H new ATOM 0 HG21 THR A 74 21.217 -2.379 -2.227 1.00 0.00 H new ATOM 0 HG22 THR A 74 22.800 -2.842 -2.896 1.00 0.00 H new ATOM 0 HG23 THR A 74 21.970 -1.387 -3.498 1.00 0.00 H new ATOM 630 N ASP A 75 23.904 -4.617 -4.734 1.00 0.00 N ATOM 631 CA ASP A 75 24.769 -5.790 -4.679 1.00 0.00 C ATOM 632 C ASP A 75 23.938 -7.030 -4.347 1.00 0.00 C ATOM 633 O ASP A 75 24.211 -8.112 -4.857 1.00 0.00 O ATOM 634 CB ASP A 75 25.865 -5.567 -3.631 1.00 0.00 C ATOM 635 CG ASP A 75 25.268 -5.357 -2.244 1.00 0.00 C ATOM 636 OD1 ASP A 75 24.729 -4.251 -2.021 1.00 0.00 O ATOM 637 OD2 ASP A 75 25.359 -6.306 -1.437 1.00 0.00 O ATOM 0 H ASP A 75 24.194 -3.855 -4.121 1.00 0.00 H new ATOM 0 HA ASP A 75 25.242 -5.946 -5.648 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.536 -6.426 -3.615 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.464 -4.699 -3.907 1.00 0.00 H new ATOM 642 N VAL A 76 22.919 -6.862 -3.496 1.00 0.00 N ATOM 643 CA VAL A 76 22.042 -7.955 -3.109 1.00 0.00 C ATOM 644 C VAL A 76 21.268 -8.460 -4.331 1.00 0.00 C ATOM 645 O VAL A 76 21.149 -9.668 -4.529 1.00 0.00 O ATOM 646 CB VAL A 76 21.079 -7.472 -2.013 1.00 0.00 C ATOM 647 CG1 VAL A 76 20.157 -8.621 -1.590 1.00 0.00 C ATOM 648 CG2 VAL A 76 21.878 -6.993 -0.796 1.00 0.00 C ATOM 0 H VAL A 76 22.686 -5.968 -3.063 1.00 0.00 H new ATOM 0 HA VAL A 76 22.635 -8.781 -2.716 1.00 0.00 H new ATOM 0 HB VAL A 76 20.481 -6.649 -2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.476 -8.274 -0.813 1.00 0.00 H new ATOM 0 HG12 VAL A 76 19.582 -8.962 -2.451 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.757 -9.446 -1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.191 -6.651 -0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 76 22.481 -7.815 -0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 76 22.531 -6.171 -1.090 1.00 0.00 H new ATOM 658 N GLN A 77 20.742 -7.534 -5.151 1.00 0.00 N ATOM 659 CA GLN A 77 19.976 -7.897 -6.336 1.00 0.00 C ATOM 660 C GLN A 77 20.870 -8.649 -7.313 1.00 0.00 C ATOM 661 O GLN A 77 20.508 -9.723 -7.787 1.00 0.00 O ATOM 662 CB GLN A 77 19.420 -6.637 -7.013 1.00 0.00 C ATOM 663 CG GLN A 77 18.362 -5.970 -6.134 1.00 0.00 C ATOM 664 CD GLN A 77 17.717 -4.807 -6.884 1.00 0.00 C ATOM 665 OE1 GLN A 77 17.090 -5.009 -7.925 1.00 0.00 O ATOM 666 NE2 GLN A 77 17.875 -3.590 -6.363 1.00 0.00 N ATOM 0 H GLN A 77 20.839 -6.529 -5.007 1.00 0.00 H new ATOM 0 HA GLN A 77 19.145 -8.536 -6.038 1.00 0.00 H new ATOM 0 HB2 GLN A 77 20.231 -5.936 -7.209 1.00 0.00 H new ATOM 0 HB3 GLN A 77 18.985 -6.899 -7.978 1.00 0.00 H new ATOM 0 HG2 GLN A 77 17.601 -6.698 -5.851 1.00 0.00 H new ATOM 0 HG3 GLN A 77 18.818 -5.610 -5.212 1.00 0.00 H new ATOM 0 HE21 GLN A 77 18.402 -3.470 -5.498 1.00 0.00 H new ATOM 0 HE22 GLN A 77 17.468 -2.779 -6.829 1.00 0.00 H new ATOM 675 N CYS A 78 22.035 -8.071 -7.615 1.00 0.00 N ATOM 676 CA CYS A 78 22.975 -8.660 -8.554 1.00 0.00 C ATOM 677 C CYS A 78 23.399 -10.048 -8.075 1.00 0.00 C ATOM 678 O CYS A 78 23.358 -11.011 -8.841 1.00 0.00 O ATOM 679 CB CYS A 78 24.196 -7.747 -8.691 1.00 0.00 C ATOM 680 SG CYS A 78 23.664 -6.131 -9.307 1.00 0.00 S ATOM 0 H CYS A 78 22.346 -7.186 -7.214 1.00 0.00 H new ATOM 0 HA CYS A 78 22.496 -8.765 -9.527 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.693 -7.637 -7.727 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.921 -8.189 -9.374 1.00 0.00 H new ATOM 0 HG CYS A 78 23.110 -5.459 -8.341 1.00 0.00 H new ATOM 686 N GLN A 79 23.809 -10.143 -6.805 1.00 0.00 N ATOM 687 CA GLN A 79 24.255 -11.397 -6.223 1.00 0.00 C ATOM 688 C GLN A 79 23.162 -12.454 -6.336 1.00 0.00 C ATOM 689 O GLN A 79 23.393 -13.520 -6.901 1.00 0.00 O ATOM 690 CB GLN A 79 24.640 -11.167 -4.758 1.00 0.00 C ATOM 691 CG GLN A 79 25.072 -12.492 -4.126 1.00 0.00 C ATOM 692 CD GLN A 79 25.753 -12.267 -2.782 1.00 0.00 C ATOM 693 OE1 GLN A 79 26.892 -12.680 -2.585 1.00 0.00 O ATOM 694 NE2 GLN A 79 25.053 -11.612 -1.855 1.00 0.00 N ATOM 0 H GLN A 79 23.838 -9.352 -6.161 1.00 0.00 H new ATOM 0 HA GLN A 79 25.128 -11.759 -6.767 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.450 -10.441 -4.694 1.00 0.00 H new ATOM 0 HB3 GLN A 79 23.795 -10.750 -4.211 1.00 0.00 H new ATOM 0 HG2 GLN A 79 24.202 -13.135 -3.992 1.00 0.00 H new ATOM 0 HG3 GLN A 79 25.753 -13.013 -4.799 1.00 0.00 H new ATOM 0 HE21 GLN A 79 24.109 -11.287 -2.064 1.00 0.00 H new ATOM 0 HE22 GLN A 79 25.462 -11.436 -0.937 1.00 0.00 H new ATOM 703 N HIS A 80 21.975 -12.159 -5.792 1.00 0.00 N ATOM 704 CA HIS A 80 20.860 -13.094 -5.817 1.00 0.00 C ATOM 705 C HIS A 80 20.564 -13.531 -7.243 1.00 0.00 C ATOM 706 O HIS A 80 20.495 -14.724 -7.520 1.00 0.00 O ATOM 707 CB HIS A 80 19.622 -12.436 -5.203 1.00 0.00 C ATOM 708 CG HIS A 80 19.655 -12.408 -3.699 1.00 0.00 C ATOM 709 ND1 HIS A 80 18.649 -11.821 -2.944 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.549 -12.895 -2.777 1.00 0.00 C ATOM 711 CE1 HIS A 80 18.987 -11.984 -1.652 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.139 -12.634 -1.479 1.00 0.00 N ATOM 0 H HIS A 80 21.768 -11.274 -5.329 1.00 0.00 H new ATOM 0 HA HIS A 80 21.127 -13.975 -5.234 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.536 -11.416 -5.578 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.732 -12.973 -5.531 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.459 -13.417 -3.032 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.383 -11.623 -0.833 1.00 0.00 H new ATOM 0 HE2 HIS A 80 20.604 -12.879 -0.605 1.00 0.00 H new ATOM 720 N ARG A 81 20.379 -12.566 -8.147 1.00 0.00 N ATOM 721 CA ARG A 81 20.047 -12.867 -9.527 1.00 0.00 C ATOM 722 C ARG A 81 21.032 -13.878 -10.111 1.00 0.00 C ATOM 723 O ARG A 81 20.638 -14.719 -10.909 1.00 0.00 O ATOM 724 CB ARG A 81 20.033 -11.573 -10.353 1.00 0.00 C ATOM 725 CG ARG A 81 19.639 -11.867 -11.814 1.00 0.00 C ATOM 726 CD ARG A 81 18.272 -12.562 -11.867 1.00 0.00 C ATOM 727 NE ARG A 81 17.736 -12.588 -13.234 1.00 0.00 N ATOM 728 CZ ARG A 81 16.563 -13.166 -13.547 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.850 -13.793 -12.601 1.00 0.00 N ATOM 730 NH2 ARG A 81 16.103 -13.117 -14.804 1.00 0.00 N ATOM 0 H ARG A 81 20.455 -11.570 -7.940 1.00 0.00 H new ATOM 0 HA ARG A 81 19.053 -13.314 -9.562 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.330 -10.864 -9.916 1.00 0.00 H new ATOM 0 HB3 ARG A 81 21.017 -11.105 -10.323 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.604 -10.938 -12.383 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.394 -12.499 -12.281 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.366 -13.581 -11.492 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.573 -12.044 -11.210 1.00 0.00 H new ATOM 0 HE ARG A 81 18.277 -12.148 -13.979 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.197 -13.832 -11.643 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.960 -14.231 -12.839 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.643 -12.640 -15.526 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.213 -13.556 -15.039 1.00 0.00 H new ATOM 744 N TRP A 82 22.312 -13.806 -9.725 1.00 0.00 N ATOM 745 CA TRP A 82 23.299 -14.723 -10.258 1.00 0.00 C ATOM 746 C TRP A 82 23.415 -15.985 -9.397 1.00 0.00 C ATOM 747 O TRP A 82 22.972 -17.053 -9.805 1.00 0.00 O ATOM 748 CB TRP A 82 24.656 -14.033 -10.396 1.00 0.00 C ATOM 749 CG TRP A 82 25.608 -14.823 -11.227 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.527 -15.685 -10.766 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.702 -14.895 -12.680 1.00 0.00 C ATOM 752 NE1 TRP A 82 27.178 -16.306 -11.802 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.703 -15.857 -13.019 1.00 0.00 C ATOM 754 CE3 TRP A 82 25.032 -14.264 -13.753 1.00 0.00 C ATOM 755 CZ2 TRP A 82 27.011 -16.182 -14.341 1.00 0.00 C ATOM 756 CZ3 TRP A 82 25.346 -14.584 -15.090 1.00 0.00 C ATOM 757 CH2 TRP A 82 26.331 -15.546 -15.380 1.00 0.00 C ATOM 0 H TRP A 82 22.675 -13.128 -9.054 1.00 0.00 H new ATOM 0 HA TRP A 82 22.966 -15.031 -11.249 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.517 -13.048 -10.843 1.00 0.00 H new ATOM 0 HB3 TRP A 82 25.084 -13.876 -9.406 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.727 -15.866 -9.720 1.00 0.00 H new ATOM 0 HE1 TRP A 82 27.913 -17.004 -11.689 1.00 0.00 H new ATOM 0 HE3 TRP A 82 24.270 -13.527 -13.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 27.769 -16.920 -14.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 24.827 -14.087 -15.897 1.00 0.00 H new ATOM 0 HH2 TRP A 82 26.561 -15.792 -16.406 1.00 0.00 H new ATOM 768 N GLN A 83 24.030 -15.863 -8.218 1.00 0.00 N ATOM 769 CA GLN A 83 24.296 -17.004 -7.347 1.00 0.00 C ATOM 770 C GLN A 83 23.035 -17.833 -7.075 1.00 0.00 C ATOM 771 O GLN A 83 23.134 -19.045 -6.894 1.00 0.00 O ATOM 772 CB GLN A 83 24.905 -16.501 -6.033 1.00 0.00 C ATOM 773 CG GLN A 83 26.372 -16.111 -6.265 1.00 0.00 C ATOM 774 CD GLN A 83 26.957 -15.358 -5.069 1.00 0.00 C ATOM 775 OE1 GLN A 83 27.842 -14.523 -5.237 1.00 0.00 O ATOM 776 NE2 GLN A 83 26.467 -15.648 -3.863 1.00 0.00 N ATOM 0 H GLN A 83 24.356 -14.972 -7.844 1.00 0.00 H new ATOM 0 HA GLN A 83 25.000 -17.664 -7.854 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.343 -15.643 -5.665 1.00 0.00 H new ATOM 0 HB3 GLN A 83 24.840 -17.276 -5.269 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.961 -17.009 -6.453 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.446 -15.489 -7.157 1.00 0.00 H new ATOM 0 HE21 GLN A 83 25.732 -16.348 -3.766 1.00 0.00 H new ATOM 0 HE22 GLN A 83 26.827 -15.169 -3.037 1.00 0.00 H new ATOM 785 N LYS A 84 21.858 -17.195 -7.035 1.00 0.00 N ATOM 786 CA LYS A 84 20.618 -17.902 -6.735 1.00 0.00 C ATOM 787 C LYS A 84 19.930 -18.411 -8.013 1.00 0.00 C ATOM 788 O LYS A 84 19.012 -19.225 -7.915 1.00 0.00 O ATOM 789 CB LYS A 84 19.685 -16.972 -5.947 1.00 0.00 C ATOM 790 CG LYS A 84 18.843 -17.789 -4.964 1.00 0.00 C ATOM 791 CD LYS A 84 17.960 -16.848 -4.142 1.00 0.00 C ATOM 792 CE LYS A 84 17.125 -17.662 -3.149 1.00 0.00 C ATOM 793 NZ LYS A 84 16.278 -16.782 -2.323 1.00 0.00 N ATOM 0 H LYS A 84 21.744 -16.196 -7.206 1.00 0.00 H new ATOM 0 HA LYS A 84 20.854 -18.778 -6.131 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.270 -16.228 -5.407 1.00 0.00 H new ATOM 0 HB3 LYS A 84 19.034 -16.429 -6.633 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.224 -18.504 -5.506 1.00 0.00 H new ATOM 0 HG3 LYS A 84 19.492 -18.365 -4.304 1.00 0.00 H new ATOM 0 HD2 LYS A 84 18.579 -16.127 -3.607 1.00 0.00 H new ATOM 0 HD3 LYS A 84 17.305 -16.279 -4.802 1.00 0.00 H new ATOM 0 HE2 LYS A 84 16.499 -18.371 -3.691 1.00 0.00 H new ATOM 0 HE3 LYS A 84 17.785 -18.245 -2.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 15.723 -17.358 -1.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 16.879 -16.122 -1.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 15.634 -16.244 -2.937 1.00 0.00 H new ATOM 807 N VAL A 85 20.355 -17.943 -9.208 1.00 0.00 N ATOM 808 CA VAL A 85 19.730 -18.371 -10.463 1.00 0.00 C ATOM 809 C VAL A 85 20.798 -18.669 -11.536 1.00 0.00 C ATOM 810 O VAL A 85 21.069 -19.837 -11.815 1.00 0.00 O ATOM 811 CB VAL A 85 18.722 -17.307 -10.947 1.00 0.00 C ATOM 812 CG1 VAL A 85 17.800 -17.922 -12.003 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.875 -16.795 -9.773 1.00 0.00 C ATOM 0 H VAL A 85 21.119 -17.277 -9.322 1.00 0.00 H new ATOM 0 HA VAL A 85 19.183 -19.297 -10.283 1.00 0.00 H new ATOM 0 HB VAL A 85 19.275 -16.471 -11.376 1.00 0.00 H new ATOM 0 HG11 VAL A 85 17.088 -17.171 -12.346 1.00 0.00 H new ATOM 0 HG12 VAL A 85 18.395 -18.270 -12.847 1.00 0.00 H new ATOM 0 HG13 VAL A 85 17.260 -18.763 -11.569 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.170 -16.046 -10.133 1.00 0.00 H new ATOM 0 HG22 VAL A 85 17.327 -17.626 -9.330 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.527 -16.349 -9.022 1.00 0.00 H new ATOM 823 N LEU A 86 21.399 -17.629 -12.150 1.00 0.00 N ATOM 824 CA LEU A 86 22.398 -17.835 -13.205 1.00 0.00 C ATOM 825 C LEU A 86 23.688 -18.379 -12.602 1.00 0.00 C ATOM 826 O LEU A 86 24.455 -17.632 -12.005 1.00 0.00 O ATOM 827 CB LEU A 86 22.715 -16.518 -13.944 1.00 0.00 C ATOM 828 CG LEU A 86 21.560 -16.029 -14.842 1.00 0.00 C ATOM 829 CD1 LEU A 86 20.872 -17.198 -15.546 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.547 -15.246 -14.012 1.00 0.00 C ATOM 0 H LEU A 86 21.209 -16.651 -11.933 1.00 0.00 H new ATOM 0 HA LEU A 86 21.983 -18.548 -13.917 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.948 -15.745 -13.211 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.607 -16.658 -14.555 1.00 0.00 H new ATOM 0 HG LEU A 86 21.980 -15.375 -15.607 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.063 -16.821 -16.171 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.596 -17.725 -16.168 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.466 -17.883 -14.802 1.00 0.00 H new ATOM 0 HD21 LEU A 86 19.736 -14.905 -14.655 1.00 0.00 H new ATOM 0 HD22 LEU A 86 20.144 -15.888 -13.229 1.00 0.00 H new ATOM 0 HD23 LEU A 86 21.037 -14.384 -13.558 1.00 0.00 H new