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= 0.732 K(o=1.3,f=-0.42) USER MOD Set 1.2: A 83 GLN : amide:sc= 0.542 K(o=1.3,f=-2.9!) USER MOD Set 2.1: A 74 THR OG1 : rot 180:sc= 0.578 USER MOD Set 2.2: A 77 GLN : amide:sc= -0.186 K(o=0.39,f=1.5) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.337 USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= 1.84 (180deg=0.855) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 161:sc= -0.0213 (180deg=-0.265) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 58 ASN : amide:sc= 0.864 K(o=0.86,f=-0.17) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0399 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0.995 K(o=0.99,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.12) USER MOD Single : A 78 CYS SG : rot 79:sc= 0.00991 USER MOD Single : A 80 HIS : no HD1:sc= -0.0562 X(o=-0.056,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -169:sc=-0.00471 (180deg=-0.151) USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 13.145 -8.793 -13.335 1.00 0.00 N ATOM 90 CA TRP A 43 14.328 -9.019 -14.151 1.00 0.00 C ATOM 91 C TRP A 43 13.891 -9.560 -15.510 1.00 0.00 C ATOM 92 O TRP A 43 12.856 -10.221 -15.611 1.00 0.00 O ATOM 93 CB TRP A 43 15.256 -10.014 -13.451 1.00 0.00 C ATOM 94 CG TRP A 43 16.167 -9.418 -12.423 1.00 0.00 C ATOM 95 CD1 TRP A 43 15.897 -9.281 -11.113 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.514 -8.884 -12.596 1.00 0.00 C ATOM 97 NE1 TRP A 43 16.959 -8.714 -10.447 1.00 0.00 N ATOM 98 CE2 TRP A 43 17.998 -8.445 -11.321 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.387 -8.730 -13.697 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.271 -7.887 -11.154 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.669 -8.165 -13.534 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.108 -7.744 -12.266 1.00 0.00 C ATOM 0 HA TRP A 43 14.871 -8.084 -14.292 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.647 -10.781 -12.973 1.00 0.00 H new ATOM 0 HB3 TRP A 43 15.863 -10.514 -14.206 1.00 0.00 H new ATOM 0 HD1 TRP A 43 14.969 -9.577 -10.646 1.00 0.00 H new ATOM 0 HE1 TRP A 43 16.978 -8.519 -9.446 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.068 -9.050 -14.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.604 -7.570 -10.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.319 -8.055 -14.390 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.090 -7.311 -12.151 1.00 0.00 H new ATOM 113 N THR A 44 14.677 -9.276 -16.555 1.00 0.00 N ATOM 114 CA THR A 44 14.366 -9.718 -17.909 1.00 0.00 C ATOM 115 C THR A 44 15.663 -9.817 -18.711 1.00 0.00 C ATOM 116 O THR A 44 16.677 -9.259 -18.305 1.00 0.00 O ATOM 117 CB THR A 44 13.391 -8.714 -18.557 1.00 0.00 C ATOM 118 OG1 THR A 44 12.326 -8.443 -17.669 1.00 0.00 O ATOM 119 CG2 THR A 44 12.819 -9.288 -19.857 1.00 0.00 C ATOM 0 H THR A 44 15.540 -8.737 -16.482 1.00 0.00 H new ATOM 0 HA THR A 44 13.892 -10.699 -17.891 1.00 0.00 H new ATOM 0 HB THR A 44 13.936 -7.796 -18.777 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.709 -7.804 -18.083 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.133 -8.567 -20.302 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.632 -9.492 -20.553 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.284 -10.213 -19.642 1.00 0.00 H new ATOM 127 N ARG A 45 15.619 -10.526 -19.853 1.00 0.00 N ATOM 128 CA ARG A 45 16.777 -10.699 -20.733 1.00 0.00 C ATOM 129 C ARG A 45 17.504 -9.359 -20.939 1.00 0.00 C ATOM 130 O ARG A 45 18.734 -9.319 -20.937 1.00 0.00 O ATOM 131 CB ARG A 45 16.288 -11.311 -22.067 1.00 0.00 C ATOM 132 CG ARG A 45 17.240 -10.975 -23.233 1.00 0.00 C ATOM 133 CD ARG A 45 16.688 -9.782 -24.031 1.00 0.00 C ATOM 134 NE ARG A 45 17.747 -8.824 -24.374 1.00 0.00 N ATOM 135 CZ ARG A 45 17.492 -7.553 -24.732 1.00 0.00 C ATOM 136 NH1 ARG A 45 16.229 -7.140 -24.893 1.00 0.00 N ATOM 137 NH2 ARG A 45 18.497 -6.695 -24.917 1.00 0.00 N ATOM 0 H ARG A 45 14.776 -10.994 -20.188 1.00 0.00 H new ATOM 0 HA ARG A 45 17.501 -11.377 -20.281 1.00 0.00 H new ATOM 0 HB2 ARG A 45 16.208 -12.393 -21.963 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.289 -10.938 -22.294 1.00 0.00 H new ATOM 0 HG2 ARG A 45 18.232 -10.739 -22.848 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.350 -11.841 -23.886 1.00 0.00 H new ATOM 0 HD2 ARG A 45 16.213 -10.142 -24.944 1.00 0.00 H new ATOM 0 HD3 ARG A 45 15.917 -9.279 -23.448 1.00 0.00 H new ATOM 0 HE ARG A 45 18.717 -9.136 -24.339 1.00 0.00 H new ATOM 0 HH11 ARG A 45 15.457 -7.790 -24.744 1.00 0.00 H new ATOM 0 HH12 ARG A 45 16.039 -6.175 -25.165 1.00 0.00 H new ATOM 0 HH21 ARG A 45 19.461 -7.003 -24.787 1.00 0.00 H new ATOM 0 HH22 ARG A 45 18.302 -5.731 -25.189 1.00 0.00 H new ATOM 151 N GLU A 46 16.740 -8.271 -21.110 1.00 0.00 N ATOM 152 CA GLU A 46 17.302 -6.941 -21.317 1.00 0.00 C ATOM 153 C GLU A 46 18.347 -6.616 -20.244 1.00 0.00 C ATOM 154 O GLU A 46 19.388 -6.052 -20.556 1.00 0.00 O ATOM 155 CB GLU A 46 16.158 -5.914 -21.300 1.00 0.00 C ATOM 156 CG GLU A 46 16.686 -4.506 -21.622 1.00 0.00 C ATOM 157 CD GLU A 46 17.254 -4.431 -23.036 1.00 0.00 C ATOM 158 OE1 GLU A 46 16.465 -4.656 -23.981 1.00 0.00 O ATOM 159 OE2 GLU A 46 18.467 -4.150 -23.148 1.00 0.00 O ATOM 0 H GLU A 46 15.720 -8.294 -21.108 1.00 0.00 H new ATOM 0 HA GLU A 46 17.808 -6.905 -22.282 1.00 0.00 H new ATOM 0 HB2 GLU A 46 15.397 -6.198 -22.027 1.00 0.00 H new ATOM 0 HB3 GLU A 46 15.678 -5.913 -20.321 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.880 -3.781 -21.514 1.00 0.00 H new ATOM 0 HG3 GLU A 46 17.459 -4.233 -20.903 1.00 0.00 H new ATOM 166 N GLU A 47 18.062 -6.967 -18.985 1.00 0.00 N ATOM 167 CA GLU A 47 18.958 -6.683 -17.870 1.00 0.00 C ATOM 168 C GLU A 47 19.946 -7.839 -17.657 1.00 0.00 C ATOM 169 O GLU A 47 21.136 -7.608 -17.435 1.00 0.00 O ATOM 170 CB GLU A 47 18.110 -6.462 -16.611 1.00 0.00 C ATOM 171 CG GLU A 47 18.908 -5.676 -15.566 1.00 0.00 C ATOM 172 CD GLU A 47 18.653 -4.182 -15.699 1.00 0.00 C ATOM 173 OE1 GLU A 47 17.697 -3.714 -15.037 1.00 0.00 O ATOM 174 OE2 GLU A 47 19.411 -3.539 -16.454 1.00 0.00 O ATOM 0 H GLU A 47 17.207 -7.453 -18.716 1.00 0.00 H new ATOM 0 HA GLU A 47 19.541 -5.788 -18.087 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.200 -5.920 -16.867 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.803 -7.423 -16.197 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.631 -6.009 -14.566 1.00 0.00 H new ATOM 0 HG3 GLU A 47 19.972 -5.880 -15.687 1.00 0.00 H new ATOM 181 N ASP A 48 19.443 -9.080 -17.710 1.00 0.00 N ATOM 182 CA ASP A 48 20.251 -10.272 -17.469 1.00 0.00 C ATOM 183 C ASP A 48 21.488 -10.301 -18.365 1.00 0.00 C ATOM 184 O ASP A 48 22.572 -10.632 -17.897 1.00 0.00 O ATOM 185 CB ASP A 48 19.400 -11.525 -17.706 1.00 0.00 C ATOM 186 CG ASP A 48 18.311 -11.667 -16.651 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.631 -11.439 -15.468 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.173 -12.007 -17.042 1.00 0.00 O ATOM 0 H ASP A 48 18.465 -9.280 -17.921 1.00 0.00 H new ATOM 0 HA ASP A 48 20.592 -10.249 -16.434 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.945 -11.476 -18.695 1.00 0.00 H new ATOM 0 HB3 ASP A 48 20.039 -12.408 -17.692 1.00 0.00 H new ATOM 193 N GLU A 49 21.332 -9.966 -19.651 1.00 0.00 N ATOM 194 CA GLU A 49 22.450 -9.990 -20.588 1.00 0.00 C ATOM 195 C GLU A 49 23.570 -9.057 -20.111 1.00 0.00 C ATOM 196 O GLU A 49 24.751 -9.365 -20.281 1.00 0.00 O ATOM 197 CB GLU A 49 21.959 -9.599 -21.990 1.00 0.00 C ATOM 198 CG GLU A 49 21.640 -8.100 -22.044 1.00 0.00 C ATOM 199 CD GLU A 49 20.977 -7.716 -23.357 1.00 0.00 C ATOM 200 OE1 GLU A 49 20.432 -8.625 -24.020 1.00 0.00 O ATOM 201 OE2 GLU A 49 21.023 -6.509 -23.679 1.00 0.00 O ATOM 0 H GLU A 49 20.444 -9.677 -20.061 1.00 0.00 H new ATOM 0 HA GLU A 49 22.858 -11.000 -20.635 1.00 0.00 H new ATOM 0 HB2 GLU A 49 22.721 -9.842 -22.730 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.070 -10.176 -22.246 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.984 -7.837 -21.214 1.00 0.00 H new ATOM 0 HG3 GLU A 49 22.559 -7.527 -21.918 1.00 0.00 H new ATOM 208 N LYS A 50 23.200 -7.915 -19.515 1.00 0.00 N ATOM 209 CA LYS A 50 24.173 -6.946 -19.038 1.00 0.00 C ATOM 210 C LYS A 50 24.860 -7.489 -17.790 1.00 0.00 C ATOM 211 O LYS A 50 26.078 -7.396 -17.661 1.00 0.00 O ATOM 212 CB LYS A 50 23.483 -5.606 -18.750 1.00 0.00 C ATOM 213 CG LYS A 50 22.532 -5.253 -19.898 1.00 0.00 C ATOM 214 CD LYS A 50 22.255 -3.745 -19.904 1.00 0.00 C ATOM 215 CE LYS A 50 20.962 -3.443 -20.679 1.00 0.00 C ATOM 216 NZ LYS A 50 20.874 -4.225 -21.930 1.00 0.00 N ATOM 0 H LYS A 50 22.229 -7.647 -19.355 1.00 0.00 H new ATOM 0 HA LYS A 50 24.929 -6.777 -19.805 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.930 -5.666 -17.813 1.00 0.00 H new ATOM 0 HB3 LYS A 50 24.229 -4.821 -18.630 1.00 0.00 H new ATOM 0 HG2 LYS A 50 22.970 -5.555 -20.850 1.00 0.00 H new ATOM 0 HG3 LYS A 50 21.597 -5.803 -19.789 1.00 0.00 H new ATOM 0 HD2 LYS A 50 22.167 -3.380 -18.881 1.00 0.00 H new ATOM 0 HD3 LYS A 50 23.092 -3.216 -20.360 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.101 -3.667 -20.050 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.918 -2.379 -20.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.125 -3.831 -22.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 21.783 -4.180 -22.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.652 -5.216 -21.705 1.00 0.00 H new ATOM 230 N LEU A 51 24.077 -8.064 -16.873 1.00 0.00 N ATOM 231 CA LEU A 51 24.619 -8.635 -15.653 1.00 0.00 C ATOM 232 C LEU A 51 25.602 -9.753 -16.004 1.00 0.00 C ATOM 233 O LEU A 51 26.679 -9.839 -15.422 1.00 0.00 O ATOM 234 CB LEU A 51 23.463 -9.164 -14.788 1.00 0.00 C ATOM 235 CG LEU A 51 24.002 -9.873 -13.533 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.844 -8.904 -12.700 1.00 0.00 C ATOM 237 CD2 LEU A 51 22.830 -10.371 -12.687 1.00 0.00 C ATOM 0 H LEU A 51 23.064 -8.143 -16.960 1.00 0.00 H new ATOM 0 HA LEU A 51 25.157 -7.874 -15.087 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.814 -8.338 -14.495 1.00 0.00 H new ATOM 0 HB3 LEU A 51 22.854 -9.856 -15.370 1.00 0.00 H new ATOM 0 HG LEU A 51 24.622 -10.714 -13.842 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.220 -9.417 -11.815 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.684 -8.547 -13.296 1.00 0.00 H new ATOM 0 HD13 LEU A 51 24.229 -8.057 -12.395 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.211 -10.873 -11.798 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.211 -9.525 -12.389 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.231 -11.070 -13.271 1.00 0.00 H new ATOM 249 N LYS A 52 25.223 -10.607 -16.960 1.00 0.00 N ATOM 250 CA LYS A 52 26.045 -11.730 -17.373 1.00 0.00 C ATOM 251 C LYS A 52 27.424 -11.257 -17.836 1.00 0.00 C ATOM 252 O LYS A 52 28.435 -11.658 -17.264 1.00 0.00 O ATOM 253 CB LYS A 52 25.330 -12.495 -18.492 1.00 0.00 C ATOM 254 CG LYS A 52 26.208 -13.660 -18.955 1.00 0.00 C ATOM 255 CD LYS A 52 25.416 -14.568 -19.895 1.00 0.00 C ATOM 256 CE LYS A 52 26.316 -15.714 -20.367 1.00 0.00 C ATOM 257 NZ LYS A 52 25.604 -16.597 -21.306 1.00 0.00 N ATOM 0 H LYS A 52 24.339 -10.533 -17.463 1.00 0.00 H new ATOM 0 HA LYS A 52 26.194 -12.394 -16.522 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.370 -12.868 -18.136 1.00 0.00 H new ATOM 0 HB3 LYS A 52 25.122 -11.827 -19.328 1.00 0.00 H new ATOM 0 HG2 LYS A 52 27.094 -13.279 -19.464 1.00 0.00 H new ATOM 0 HG3 LYS A 52 26.556 -14.229 -18.093 1.00 0.00 H new ATOM 0 HD2 LYS A 52 24.540 -14.965 -19.383 1.00 0.00 H new ATOM 0 HD3 LYS A 52 25.054 -13.998 -20.751 1.00 0.00 H new ATOM 0 HE2 LYS A 52 27.205 -15.307 -20.849 1.00 0.00 H new ATOM 0 HE3 LYS A 52 26.656 -16.291 -19.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 26.237 -17.364 -21.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 24.769 -17.002 -20.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 25.302 -16.049 -22.137 1.00 0.00 H new ATOM 271 N LYS A 53 27.474 -10.416 -18.879 1.00 0.00 N ATOM 272 CA LYS A 53 28.748 -9.959 -19.420 1.00 0.00 C ATOM 273 C LYS A 53 29.562 -9.230 -18.345 1.00 0.00 C ATOM 274 O LYS A 53 30.784 -9.326 -18.337 1.00 0.00 O ATOM 275 CB LYS A 53 28.523 -9.079 -20.664 1.00 0.00 C ATOM 276 CG LYS A 53 27.975 -7.704 -20.276 1.00 0.00 C ATOM 277 CD LYS A 53 27.805 -6.847 -21.534 1.00 0.00 C ATOM 278 CE LYS A 53 27.544 -5.387 -21.144 1.00 0.00 C ATOM 279 NZ LYS A 53 28.753 -4.759 -20.576 1.00 0.00 N ATOM 0 H LYS A 53 26.652 -10.045 -19.356 1.00 0.00 H new ATOM 0 HA LYS A 53 29.327 -10.827 -19.734 1.00 0.00 H new ATOM 0 HB2 LYS A 53 29.463 -8.960 -21.204 1.00 0.00 H new ATOM 0 HB3 LYS A 53 27.827 -9.573 -21.341 1.00 0.00 H new ATOM 0 HG2 LYS A 53 27.018 -7.813 -19.766 1.00 0.00 H new ATOM 0 HG3 LYS A 53 28.654 -7.214 -19.578 1.00 0.00 H new ATOM 0 HD2 LYS A 53 28.701 -6.912 -22.152 1.00 0.00 H new ATOM 0 HD3 LYS A 53 26.976 -7.226 -22.133 1.00 0.00 H new ATOM 0 HE2 LYS A 53 27.218 -4.827 -22.021 1.00 0.00 H new ATOM 0 HE3 LYS A 53 26.733 -5.342 -20.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 28.660 -3.724 -20.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 28.865 -5.054 -19.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 29.587 -5.056 -21.122 1.00 0.00 H new ATOM 293 N LEU A 54 28.892 -8.505 -17.435 1.00 0.00 N ATOM 294 CA LEU A 54 29.585 -7.783 -16.375 1.00 0.00 C ATOM 295 C LEU A 54 30.218 -8.771 -15.393 1.00 0.00 C ATOM 296 O LEU A 54 31.333 -8.543 -14.929 1.00 0.00 O ATOM 297 CB LEU A 54 28.608 -6.848 -15.651 1.00 0.00 C ATOM 298 CG LEU A 54 28.342 -5.593 -16.497 1.00 0.00 C ATOM 299 CD1 LEU A 54 27.148 -4.837 -15.915 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.572 -4.676 -16.485 1.00 0.00 C ATOM 0 H LEU A 54 27.877 -8.408 -17.418 1.00 0.00 H new ATOM 0 HA LEU A 54 30.379 -7.179 -16.814 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.671 -7.370 -15.458 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.019 -6.562 -14.683 1.00 0.00 H new ATOM 0 HG LEU A 54 28.131 -5.894 -17.523 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.956 -3.946 -16.512 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.268 -5.480 -15.929 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.368 -4.545 -14.888 1.00 0.00 H new ATOM 0 HD21 LEU A 54 29.371 -3.790 -17.088 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.792 -4.376 -15.461 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.428 -5.210 -16.898 1.00 0.00 H new ATOM 312 N VAL A 55 29.515 -9.866 -15.080 1.00 0.00 N ATOM 313 CA VAL A 55 30.038 -10.879 -14.173 1.00 0.00 C ATOM 314 C VAL A 55 31.250 -11.556 -14.815 1.00 0.00 C ATOM 315 O VAL A 55 32.290 -11.685 -14.179 1.00 0.00 O ATOM 316 CB VAL A 55 28.937 -11.900 -13.840 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.557 -13.151 -13.209 1.00 0.00 C ATOM 318 CG2 VAL A 55 27.951 -11.281 -12.846 1.00 0.00 C ATOM 0 H VAL A 55 28.584 -10.068 -15.444 1.00 0.00 H new ATOM 0 HA VAL A 55 30.357 -10.415 -13.240 1.00 0.00 H new ATOM 0 HB VAL A 55 28.419 -12.174 -14.759 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.771 -13.869 -12.976 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.263 -13.600 -13.908 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.080 -12.876 -12.293 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.170 -12.004 -12.610 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.479 -11.006 -11.933 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.500 -10.392 -13.287 1.00 0.00 H new ATOM 328 N GLU A 56 31.117 -11.981 -16.076 1.00 0.00 N ATOM 329 CA GLU A 56 32.214 -12.624 -16.789 1.00 0.00 C ATOM 330 C GLU A 56 33.405 -11.663 -16.892 1.00 0.00 C ATOM 331 O GLU A 56 34.552 -12.080 -16.748 1.00 0.00 O ATOM 332 CB GLU A 56 31.744 -13.052 -18.190 1.00 0.00 C ATOM 333 CG GLU A 56 31.258 -14.511 -18.174 1.00 0.00 C ATOM 334 CD GLU A 56 29.820 -14.620 -17.678 1.00 0.00 C ATOM 335 OE1 GLU A 56 29.624 -14.469 -16.455 1.00 0.00 O ATOM 336 OE2 GLU A 56 28.943 -14.859 -18.538 1.00 0.00 O ATOM 0 H GLU A 56 30.259 -11.889 -16.620 1.00 0.00 H new ATOM 0 HA GLU A 56 32.530 -13.511 -16.240 1.00 0.00 H new ATOM 0 HB2 GLU A 56 30.939 -12.398 -18.525 1.00 0.00 H new ATOM 0 HB3 GLU A 56 32.561 -12.943 -18.903 1.00 0.00 H new ATOM 0 HG2 GLU A 56 31.330 -14.930 -19.178 1.00 0.00 H new ATOM 0 HG3 GLU A 56 31.910 -15.105 -17.534 1.00 0.00 H new ATOM 343 N GLN A 57 33.125 -10.378 -17.145 1.00 0.00 N ATOM 344 CA GLN A 57 34.161 -9.363 -17.280 1.00 0.00 C ATOM 345 C GLN A 57 34.916 -9.186 -15.962 1.00 0.00 C ATOM 346 O GLN A 57 36.139 -9.306 -15.926 1.00 0.00 O ATOM 347 CB GLN A 57 33.508 -8.039 -17.706 1.00 0.00 C ATOM 348 CG GLN A 57 34.568 -6.939 -17.839 1.00 0.00 C ATOM 349 CD GLN A 57 33.924 -5.600 -18.189 1.00 0.00 C ATOM 350 OE1 GLN A 57 32.758 -5.546 -18.576 1.00 0.00 O ATOM 351 NE2 GLN A 57 34.686 -4.516 -18.050 1.00 0.00 N ATOM 0 H GLN A 57 32.177 -10.021 -17.260 1.00 0.00 H new ATOM 0 HA GLN A 57 34.879 -9.677 -18.037 1.00 0.00 H new ATOM 0 HB2 GLN A 57 32.990 -8.171 -18.656 1.00 0.00 H new ATOM 0 HB3 GLN A 57 32.758 -7.743 -16.972 1.00 0.00 H new ATOM 0 HG2 GLN A 57 35.122 -6.847 -16.905 1.00 0.00 H new ATOM 0 HG3 GLN A 57 35.288 -7.213 -18.610 1.00 0.00 H new ATOM 0 HE21 GLN A 57 35.649 -4.608 -17.726 1.00 0.00 H new ATOM 0 HE22 GLN A 57 34.307 -3.595 -18.268 1.00 0.00 H new ATOM 360 N ASN A 58 34.182 -8.881 -14.887 1.00 0.00 N ATOM 361 CA ASN A 58 34.778 -8.621 -13.586 1.00 0.00 C ATOM 362 C ASN A 58 34.897 -9.920 -12.789 1.00 0.00 C ATOM 363 O ASN A 58 35.980 -10.494 -12.700 1.00 0.00 O ATOM 364 CB ASN A 58 33.927 -7.582 -12.841 1.00 0.00 C ATOM 365 CG ASN A 58 33.868 -6.268 -13.620 1.00 0.00 C ATOM 366 OD1 ASN A 58 34.654 -5.359 -13.371 1.00 0.00 O ATOM 367 ND2 ASN A 58 32.931 -6.172 -14.567 1.00 0.00 N ATOM 0 H ASN A 58 33.165 -8.809 -14.900 1.00 0.00 H new ATOM 0 HA ASN A 58 35.784 -8.221 -13.713 1.00 0.00 H new ATOM 0 HB2 ASN A 58 32.918 -7.969 -12.695 1.00 0.00 H new ATOM 0 HB3 ASN A 58 34.347 -7.404 -11.851 1.00 0.00 H new ATOM 0 HD21 ASN A 58 32.848 -5.317 -15.117 1.00 0.00 H new ATOM 0 HD22 ASN A 58 32.299 -6.953 -14.740 1.00 0.00 H new ATOM 374 N GLY A 59 33.784 -10.381 -12.209 1.00 0.00 N ATOM 375 CA GLY A 59 33.769 -11.602 -11.420 1.00 0.00 C ATOM 376 C GLY A 59 32.566 -11.599 -10.484 1.00 0.00 C ATOM 377 O GLY A 59 31.836 -10.613 -10.412 1.00 0.00 O ATOM 0 H GLY A 59 32.878 -9.917 -12.276 1.00 0.00 H new ATOM 0 HA2 GLY A 59 33.727 -12.470 -12.078 1.00 0.00 H new ATOM 0 HA3 GLY A 59 34.690 -11.684 -10.843 1.00 0.00 H new ATOM 381 N THR A 60 32.366 -12.707 -9.762 1.00 0.00 N ATOM 382 CA THR A 60 31.260 -12.836 -8.821 1.00 0.00 C ATOM 383 C THR A 60 31.692 -12.366 -7.424 1.00 0.00 C ATOM 384 O THR A 60 30.994 -12.623 -6.446 1.00 0.00 O ATOM 385 CB THR A 60 30.811 -14.303 -8.780 1.00 0.00 C ATOM 386 OG1 THR A 60 31.938 -15.136 -8.604 1.00 0.00 O ATOM 387 CG2 THR A 60 30.112 -14.669 -10.090 1.00 0.00 C ATOM 0 H THR A 60 32.964 -13.531 -9.816 1.00 0.00 H new ATOM 0 HA THR A 60 30.428 -12.211 -9.145 1.00 0.00 H new ATOM 0 HB THR A 60 30.118 -14.442 -7.950 1.00 0.00 H new ATOM 0 HG1 THR A 60 31.651 -16.073 -8.576 1.00 0.00 H new ATOM 0 HG21 THR A 60 29.796 -15.711 -10.055 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.240 -14.030 -10.228 1.00 0.00 H new ATOM 0 HG23 THR A 60 30.801 -14.527 -10.922 1.00 0.00 H new ATOM 395 N ASP A 61 32.843 -11.680 -7.334 1.00 0.00 N ATOM 396 CA ASP A 61 33.359 -11.192 -6.064 1.00 0.00 C ATOM 397 C ASP A 61 32.832 -9.780 -5.792 1.00 0.00 C ATOM 398 O ASP A 61 31.934 -9.601 -4.970 1.00 0.00 O ATOM 399 CB ASP A 61 34.891 -11.218 -6.102 1.00 0.00 C ATOM 400 CG ASP A 61 35.478 -10.682 -4.802 1.00 0.00 C ATOM 401 OD1 ASP A 61 35.105 -11.231 -3.743 1.00 0.00 O ATOM 402 OD2 ASP A 61 36.287 -9.736 -4.892 1.00 0.00 O ATOM 0 H ASP A 61 33.430 -11.454 -8.137 1.00 0.00 H new ATOM 0 HA ASP A 61 33.020 -11.835 -5.252 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.237 -12.238 -6.268 1.00 0.00 H new ATOM 0 HB3 ASP A 61 35.248 -10.620 -6.940 1.00 0.00 H new ATOM 407 N ASP A 62 33.395 -8.777 -6.482 1.00 0.00 N ATOM 408 CA ASP A 62 32.992 -7.389 -6.300 1.00 0.00 C ATOM 409 C ASP A 62 31.643 -7.134 -6.970 1.00 0.00 C ATOM 410 O ASP A 62 31.576 -6.790 -8.152 1.00 0.00 O ATOM 411 CB ASP A 62 34.077 -6.450 -6.858 1.00 0.00 C ATOM 412 CG ASP A 62 34.596 -5.513 -5.773 1.00 0.00 C ATOM 413 OD1 ASP A 62 33.756 -4.766 -5.222 1.00 0.00 O ATOM 414 OD2 ASP A 62 35.818 -5.556 -5.517 1.00 0.00 O ATOM 0 H ASP A 62 34.134 -8.910 -7.173 1.00 0.00 H new ATOM 0 HA ASP A 62 32.879 -7.187 -5.235 1.00 0.00 H new ATOM 0 HB2 ASP A 62 34.901 -7.039 -7.260 1.00 0.00 H new ATOM 0 HB3 ASP A 62 33.669 -5.867 -7.683 1.00 0.00 H new ATOM 419 N TRP A 63 30.563 -7.295 -6.203 1.00 0.00 N ATOM 420 CA TRP A 63 29.222 -7.045 -6.699 1.00 0.00 C ATOM 421 C TRP A 63 28.954 -5.542 -6.733 1.00 0.00 C ATOM 422 O TRP A 63 28.048 -5.091 -7.430 1.00 0.00 O ATOM 423 CB TRP A 63 28.213 -7.772 -5.813 1.00 0.00 C ATOM 424 CG TRP A 63 28.219 -9.253 -5.997 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.628 -10.159 -5.093 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.817 -10.027 -7.165 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.525 -11.433 -5.594 1.00 0.00 N ATOM 428 CE2 TRP A 63 28.027 -11.413 -6.884 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.301 -9.703 -8.442 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.746 -12.416 -7.814 1.00 0.00 C ATOM 431 CZ3 TRP A 63 27.010 -10.713 -9.380 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.236 -12.065 -9.069 1.00 0.00 C ATOM 0 H TRP A 63 30.599 -7.600 -5.230 1.00 0.00 H new ATOM 0 HA TRP A 63 29.123 -7.425 -7.716 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.426 -7.543 -4.769 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.214 -7.391 -6.025 1.00 0.00 H new ATOM 0 HD1 TRP A 63 28.989 -9.917 -4.104 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.781 -12.279 -5.084 1.00 0.00 H new ATOM 0 HE3 TRP A 63 27.128 -8.669 -8.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 27.921 -13.453 -7.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.610 -10.446 -10.347 1.00 0.00 H new ATOM 0 HH2 TRP A 63 27.016 -12.832 -9.797 1.00 0.00 H new ATOM 443 N LYS A 64 29.750 -4.766 -5.986 1.00 0.00 N ATOM 444 CA LYS A 64 29.603 -3.323 -5.951 1.00 0.00 C ATOM 445 C LYS A 64 29.972 -2.742 -7.314 1.00 0.00 C ATOM 446 O LYS A 64 29.306 -1.833 -7.802 1.00 0.00 O ATOM 447 CB LYS A 64 30.492 -2.745 -4.844 1.00 0.00 C ATOM 448 CG LYS A 64 29.730 -1.649 -4.099 1.00 0.00 C ATOM 449 CD LYS A 64 30.647 -1.004 -3.058 1.00 0.00 C ATOM 450 CE LYS A 64 29.869 0.052 -2.271 1.00 0.00 C ATOM 451 NZ LYS A 64 30.716 0.674 -1.238 1.00 0.00 N ATOM 0 H LYS A 64 30.503 -5.125 -5.399 1.00 0.00 H new ATOM 0 HA LYS A 64 28.569 -3.057 -5.733 1.00 0.00 H new ATOM 0 HB2 LYS A 64 30.787 -3.533 -4.151 1.00 0.00 H new ATOM 0 HB3 LYS A 64 31.408 -2.339 -5.273 1.00 0.00 H new ATOM 0 HG2 LYS A 64 29.375 -0.896 -4.803 1.00 0.00 H new ATOM 0 HG3 LYS A 64 28.850 -2.070 -3.612 1.00 0.00 H new ATOM 0 HD2 LYS A 64 31.035 -1.764 -2.380 1.00 0.00 H new ATOM 0 HD3 LYS A 64 31.506 -0.546 -3.549 1.00 0.00 H new ATOM 0 HE2 LYS A 64 29.499 0.818 -2.952 1.00 0.00 H new ATOM 0 HE3 LYS A 64 28.998 -0.407 -1.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 30.164 1.386 -0.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 31.049 -0.056 -0.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 31.534 1.131 -1.689 1.00 0.00 H new ATOM 465 N VAL A 65 31.032 -3.278 -7.932 1.00 0.00 N ATOM 466 CA VAL A 65 31.465 -2.833 -9.247 1.00 0.00 C ATOM 467 C VAL A 65 30.326 -3.036 -10.244 1.00 0.00 C ATOM 468 O VAL A 65 30.013 -2.144 -11.030 1.00 0.00 O ATOM 469 CB VAL A 65 32.709 -3.631 -9.667 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.100 -3.271 -11.102 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.872 -3.304 -8.729 1.00 0.00 C ATOM 0 H VAL A 65 31.603 -4.024 -7.534 1.00 0.00 H new ATOM 0 HA VAL A 65 31.723 -1.774 -9.223 1.00 0.00 H new ATOM 0 HB VAL A 65 32.482 -4.696 -9.611 1.00 0.00 H new ATOM 0 HG11 VAL A 65 33.983 -3.841 -11.392 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.276 -3.510 -11.774 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.320 -2.205 -11.163 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.753 -3.872 -9.030 1.00 0.00 H new ATOM 0 HG22 VAL A 65 34.092 -2.238 -8.781 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.601 -3.569 -7.707 1.00 0.00 H new ATOM 481 N ILE A 66 29.707 -4.218 -10.202 1.00 0.00 N ATOM 482 CA ILE A 66 28.605 -4.551 -11.087 1.00 0.00 C ATOM 483 C ILE A 66 27.419 -3.626 -10.802 1.00 0.00 C ATOM 484 O ILE A 66 26.781 -3.133 -11.731 1.00 0.00 O ATOM 485 CB ILE A 66 28.238 -6.029 -10.891 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.411 -6.903 -11.373 1.00 0.00 C ATOM 487 CG2 ILE A 66 26.977 -6.365 -11.696 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.291 -8.319 -10.816 1.00 0.00 C ATOM 0 H ILE A 66 29.959 -4.964 -9.554 1.00 0.00 H new ATOM 0 HA ILE A 66 28.892 -4.405 -12.128 1.00 0.00 H new ATOM 0 HB ILE A 66 28.043 -6.221 -9.836 1.00 0.00 H new ATOM 0 HG12 ILE A 66 29.424 -6.935 -12.462 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.355 -6.461 -11.056 1.00 0.00 H new ATOM 0 HG21 ILE A 66 26.723 -7.415 -11.552 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.151 -5.741 -11.355 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.160 -6.178 -12.754 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.129 -8.921 -11.168 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.302 -8.284 -9.727 1.00 0.00 H new ATOM 0 HD13 ILE A 66 28.356 -8.765 -11.155 1.00 0.00 H new ATOM 500 N ALA A 67 27.129 -3.386 -9.517 1.00 0.00 N ATOM 501 CA ALA A 67 26.034 -2.511 -9.122 1.00 0.00 C ATOM 502 C ALA A 67 26.272 -1.095 -9.654 1.00 0.00 C ATOM 503 O ALA A 67 25.330 -0.417 -10.052 1.00 0.00 O ATOM 504 CB ALA A 67 25.911 -2.504 -7.597 1.00 0.00 C ATOM 0 H ALA A 67 27.644 -3.791 -8.735 1.00 0.00 H new ATOM 0 HA ALA A 67 25.102 -2.881 -9.548 1.00 0.00 H new ATOM 0 HB1 ALA A 67 25.091 -1.849 -7.301 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.713 -3.516 -7.243 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.841 -2.142 -7.159 1.00 0.00 H new ATOM 510 N ASN A 68 27.536 -0.649 -9.667 1.00 0.00 N ATOM 511 CA ASN A 68 27.878 0.677 -10.170 1.00 0.00 C ATOM 512 C ASN A 68 27.598 0.753 -11.673 1.00 0.00 C ATOM 513 O ASN A 68 27.229 1.812 -12.178 1.00 0.00 O ATOM 514 CB ASN A 68 29.351 0.986 -9.873 1.00 0.00 C ATOM 515 CG ASN A 68 29.499 1.697 -8.531 1.00 0.00 C ATOM 516 OD1 ASN A 68 29.795 2.887 -8.487 1.00 0.00 O ATOM 517 ND2 ASN A 68 29.294 0.967 -7.436 1.00 0.00 N ATOM 0 H ASN A 68 28.333 -1.191 -9.334 1.00 0.00 H new ATOM 0 HA ASN A 68 27.263 1.423 -9.667 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.926 0.060 -9.864 1.00 0.00 H new ATOM 0 HB3 ASN A 68 29.763 1.609 -10.667 1.00 0.00 H new ATOM 0 HD21 ASN A 68 29.381 1.395 -6.514 1.00 0.00 H new ATOM 0 HD22 ASN A 68 29.050 -0.020 -7.519 1.00 0.00 H new ATOM 524 N TYR A 69 27.765 -0.370 -12.389 1.00 0.00 N ATOM 525 CA TYR A 69 27.511 -0.413 -13.824 1.00 0.00 C ATOM 526 C TYR A 69 26.007 -0.527 -14.085 1.00 0.00 C ATOM 527 O TYR A 69 25.525 -0.044 -15.109 1.00 0.00 O ATOM 528 CB TYR A 69 28.253 -1.602 -14.450 1.00 0.00 C ATOM 529 CG TYR A 69 29.737 -1.361 -14.660 1.00 0.00 C ATOM 530 CD1 TYR A 69 30.171 -0.277 -15.448 1.00 0.00 C ATOM 531 CD2 TYR A 69 30.683 -2.230 -14.085 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.544 -0.063 -15.654 1.00 0.00 C ATOM 533 CE2 TYR A 69 32.056 -2.015 -14.296 1.00 0.00 C ATOM 534 CZ TYR A 69 32.486 -0.931 -15.078 1.00 0.00 C ATOM 535 OH TYR A 69 33.818 -0.723 -15.282 1.00 0.00 O ATOM 0 H TYR A 69 28.075 -1.256 -11.991 1.00 0.00 H new ATOM 0 HA TYR A 69 27.876 0.507 -14.280 1.00 0.00 H new ATOM 0 HB2 TYR A 69 28.124 -2.475 -13.811 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.794 -1.839 -15.410 1.00 0.00 H new ATOM 0 HD1 TYR A 69 29.448 0.390 -15.894 1.00 0.00 H new ATOM 0 HD2 TYR A 69 30.354 -3.063 -13.481 1.00 0.00 H new ATOM 0 HE1 TYR A 69 31.876 0.770 -16.256 1.00 0.00 H new ATOM 0 HE2 TYR A 69 32.781 -2.684 -13.856 1.00 0.00 H new ATOM 0 HH TYR A 69 34.332 -1.413 -14.813 1.00 0.00 H new ATOM 545 N LEU A 70 25.270 -1.165 -13.160 1.00 0.00 N ATOM 546 CA LEU A 70 23.825 -1.333 -13.285 1.00 0.00 C ATOM 547 C LEU A 70 23.118 -0.616 -12.129 1.00 0.00 C ATOM 548 O LEU A 70 22.853 -1.236 -11.099 1.00 0.00 O ATOM 549 CB LEU A 70 23.480 -2.830 -13.262 1.00 0.00 C ATOM 550 CG LEU A 70 24.022 -3.538 -14.513 1.00 0.00 C ATOM 551 CD1 LEU A 70 23.783 -5.044 -14.375 1.00 0.00 C ATOM 552 CD2 LEU A 70 23.304 -3.026 -15.767 1.00 0.00 C ATOM 0 H LEU A 70 25.663 -1.574 -12.312 1.00 0.00 H new ATOM 0 HA LEU A 70 23.490 -0.901 -14.228 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.901 -3.290 -12.368 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.399 -2.957 -13.207 1.00 0.00 H new ATOM 0 HG LEU A 70 25.088 -3.332 -14.607 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.165 -5.555 -15.259 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.300 -5.415 -13.490 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.714 -5.235 -14.278 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.698 -3.536 -16.646 1.00 0.00 H new ATOM 0 HD22 LEU A 70 22.236 -3.224 -15.681 1.00 0.00 H new ATOM 0 HD23 LEU A 70 23.467 -1.953 -15.867 1.00 0.00 H new ATOM 564 N PRO A 71 22.799 0.688 -12.286 1.00 0.00 N ATOM 565 CA PRO A 71 22.116 1.447 -11.258 1.00 0.00 C ATOM 566 C PRO A 71 20.806 0.758 -10.871 1.00 0.00 C ATOM 567 O PRO A 71 20.237 0.019 -11.673 1.00 0.00 O ATOM 568 CB PRO A 71 21.873 2.838 -11.849 1.00 0.00 C ATOM 569 CG PRO A 71 22.557 2.865 -13.222 1.00 0.00 C ATOM 570 CD PRO A 71 23.094 1.456 -13.478 1.00 0.00 C ATOM 0 HA PRO A 71 22.706 1.518 -10.344 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.805 3.035 -11.946 1.00 0.00 H new ATOM 0 HB3 PRO A 71 22.282 3.611 -11.198 1.00 0.00 H new ATOM 0 HG2 PRO A 71 21.851 3.156 -14.000 1.00 0.00 H new ATOM 0 HG3 PRO A 71 23.366 3.595 -13.236 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.621 1.012 -14.354 1.00 0.00 H new ATOM 0 HD3 PRO A 71 24.166 1.477 -13.672 1.00 0.00 H new ATOM 578 N ASN A 72 20.345 1.002 -9.632 1.00 0.00 N ATOM 579 CA ASN A 72 19.119 0.401 -9.082 1.00 0.00 C ATOM 580 C ASN A 72 19.382 -1.050 -8.663 1.00 0.00 C ATOM 581 O ASN A 72 18.878 -1.491 -7.631 1.00 0.00 O ATOM 582 CB ASN A 72 17.948 0.477 -10.079 1.00 0.00 C ATOM 583 CG ASN A 72 17.796 1.880 -10.661 1.00 0.00 C ATOM 584 OD1 ASN A 72 17.338 2.791 -9.978 1.00 0.00 O ATOM 585 ND2 ASN A 72 18.179 2.050 -11.927 1.00 0.00 N ATOM 0 H ASN A 72 20.817 1.627 -8.979 1.00 0.00 H new ATOM 0 HA ASN A 72 18.832 0.976 -8.202 1.00 0.00 H new ATOM 0 HB2 ASN A 72 18.110 -0.237 -10.887 1.00 0.00 H new ATOM 0 HB3 ASN A 72 17.024 0.188 -9.579 1.00 0.00 H new ATOM 0 HD21 ASN A 72 18.097 2.967 -12.366 1.00 0.00 H new ATOM 0 HD22 ASN A 72 18.554 1.263 -12.456 1.00 0.00 H new ATOM 592 N ARG A 73 20.172 -1.791 -9.457 1.00 0.00 N ATOM 593 CA ARG A 73 20.500 -3.174 -9.150 1.00 0.00 C ATOM 594 C ARG A 73 21.611 -3.202 -8.100 1.00 0.00 C ATOM 595 O ARG A 73 22.790 -3.183 -8.441 1.00 0.00 O ATOM 596 CB ARG A 73 20.947 -3.907 -10.426 1.00 0.00 C ATOM 597 CG ARG A 73 19.943 -3.694 -11.567 1.00 0.00 C ATOM 598 CD ARG A 73 18.568 -4.236 -11.175 1.00 0.00 C ATOM 599 NE ARG A 73 17.718 -4.377 -12.362 1.00 0.00 N ATOM 600 CZ ARG A 73 16.589 -5.100 -12.381 1.00 0.00 C ATOM 601 NH1 ARG A 73 16.122 -5.660 -11.259 1.00 0.00 N ATOM 602 NH2 ARG A 73 15.929 -5.259 -13.530 1.00 0.00 N ATOM 0 H ARG A 73 20.593 -1.444 -10.319 1.00 0.00 H new ATOM 0 HA ARG A 73 19.619 -3.681 -8.756 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.930 -3.547 -10.730 1.00 0.00 H new ATOM 0 HB3 ARG A 73 21.048 -4.973 -10.220 1.00 0.00 H new ATOM 0 HG2 ARG A 73 19.869 -2.632 -11.801 1.00 0.00 H new ATOM 0 HG3 ARG A 73 20.295 -4.196 -12.468 1.00 0.00 H new ATOM 0 HD2 ARG A 73 18.678 -5.202 -10.681 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.095 -3.564 -10.459 1.00 0.00 H new ATOM 0 HE ARG A 73 18.001 -3.900 -13.218 1.00 0.00 H new ATOM 0 HH11 ARG A 73 16.626 -5.538 -10.380 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.262 -6.208 -11.282 1.00 0.00 H new ATOM 0 HH21 ARG A 73 16.284 -4.832 -14.385 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.069 -5.808 -13.553 1.00 0.00 H new ATOM 616 N THR A 74 21.229 -3.243 -6.822 1.00 0.00 N ATOM 617 CA THR A 74 22.189 -3.266 -5.730 1.00 0.00 C ATOM 618 C THR A 74 22.942 -4.598 -5.716 1.00 0.00 C ATOM 619 O THR A 74 22.529 -5.559 -6.366 1.00 0.00 O ATOM 620 CB THR A 74 21.452 -3.043 -4.401 1.00 0.00 C ATOM 621 OG1 THR A 74 20.423 -4.001 -4.259 1.00 0.00 O ATOM 622 CG2 THR A 74 20.845 -1.639 -4.373 1.00 0.00 C ATOM 0 H THR A 74 20.254 -3.261 -6.522 1.00 0.00 H new ATOM 0 HA THR A 74 22.918 -2.468 -5.869 1.00 0.00 H new ATOM 0 HB THR A 74 22.161 -3.147 -3.580 1.00 0.00 H new ATOM 0 HG1 THR A 74 19.956 -3.856 -3.409 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.324 -1.487 -3.428 1.00 0.00 H new ATOM 0 HG22 THR A 74 21.638 -0.898 -4.473 1.00 0.00 H new ATOM 0 HG23 THR A 74 20.140 -1.531 -5.198 1.00 0.00 H new ATOM 630 N ASP A 75 24.051 -4.641 -4.966 1.00 0.00 N ATOM 631 CA ASP A 75 24.884 -5.832 -4.838 1.00 0.00 C ATOM 632 C ASP A 75 24.022 -7.073 -4.608 1.00 0.00 C ATOM 633 O ASP A 75 24.209 -8.090 -5.270 1.00 0.00 O ATOM 634 CB ASP A 75 25.846 -5.646 -3.654 1.00 0.00 C ATOM 635 CG ASP A 75 26.771 -4.448 -3.847 1.00 0.00 C ATOM 636 OD1 ASP A 75 26.237 -3.347 -4.114 1.00 0.00 O ATOM 637 OD2 ASP A 75 27.994 -4.656 -3.716 1.00 0.00 O ATOM 0 H ASP A 75 24.393 -3.843 -4.430 1.00 0.00 H new ATOM 0 HA ASP A 75 25.448 -5.971 -5.761 1.00 0.00 H new ATOM 0 HB2 ASP A 75 25.271 -5.515 -2.738 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.444 -6.549 -3.529 1.00 0.00 H new ATOM 642 N VAL A 76 23.083 -6.981 -3.659 1.00 0.00 N ATOM 643 CA VAL A 76 22.213 -8.095 -3.307 1.00 0.00 C ATOM 644 C VAL A 76 21.425 -8.578 -4.529 1.00 0.00 C ATOM 645 O VAL A 76 21.329 -9.780 -4.760 1.00 0.00 O ATOM 646 CB VAL A 76 21.259 -7.658 -2.183 1.00 0.00 C ATOM 647 CG1 VAL A 76 20.321 -8.814 -1.819 1.00 0.00 C ATOM 648 CG2 VAL A 76 22.067 -7.256 -0.944 1.00 0.00 C ATOM 0 H VAL A 76 22.910 -6.133 -3.119 1.00 0.00 H new ATOM 0 HA VAL A 76 22.823 -8.928 -2.957 1.00 0.00 H new ATOM 0 HB VAL A 76 20.672 -6.807 -2.528 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.647 -8.499 -1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 76 19.738 -9.100 -2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.909 -9.667 -1.481 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.387 -6.947 -0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 76 22.659 -8.106 -0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 76 22.731 -6.429 -1.195 1.00 0.00 H new ATOM 658 N GLN A 77 20.857 -7.643 -5.304 1.00 0.00 N ATOM 659 CA GLN A 77 20.053 -7.991 -6.468 1.00 0.00 C ATOM 660 C GLN A 77 20.908 -8.723 -7.493 1.00 0.00 C ATOM 661 O GLN A 77 20.522 -9.781 -7.979 1.00 0.00 O ATOM 662 CB GLN A 77 19.463 -6.721 -7.090 1.00 0.00 C ATOM 663 CG GLN A 77 18.435 -6.094 -6.148 1.00 0.00 C ATOM 664 CD GLN A 77 17.943 -4.767 -6.714 1.00 0.00 C ATOM 665 OE1 GLN A 77 17.366 -4.730 -7.798 1.00 0.00 O ATOM 666 NE2 GLN A 77 18.178 -3.678 -5.986 1.00 0.00 N ATOM 0 H GLN A 77 20.944 -6.640 -5.139 1.00 0.00 H new ATOM 0 HA GLN A 77 19.240 -8.646 -6.155 1.00 0.00 H new ATOM 0 HB2 GLN A 77 20.259 -6.006 -7.297 1.00 0.00 H new ATOM 0 HB3 GLN A 77 18.993 -6.960 -8.044 1.00 0.00 H new ATOM 0 HG2 GLN A 77 17.594 -6.774 -6.012 1.00 0.00 H new ATOM 0 HG3 GLN A 77 18.880 -5.936 -5.166 1.00 0.00 H new ATOM 0 HE21 GLN A 77 18.661 -3.757 -5.091 1.00 0.00 H new ATOM 0 HE22 GLN A 77 17.875 -2.764 -6.323 1.00 0.00 H new ATOM 675 N CYS A 78 22.067 -8.150 -7.823 1.00 0.00 N ATOM 676 CA CYS A 78 22.966 -8.729 -8.810 1.00 0.00 C ATOM 677 C CYS A 78 23.419 -10.119 -8.365 1.00 0.00 C ATOM 678 O CYS A 78 23.354 -11.073 -9.141 1.00 0.00 O ATOM 679 CB CYS A 78 24.173 -7.806 -8.997 1.00 0.00 C ATOM 680 SG CYS A 78 23.599 -6.190 -9.578 1.00 0.00 S ATOM 0 H CYS A 78 22.403 -7.278 -7.414 1.00 0.00 H new ATOM 0 HA CYS A 78 22.442 -8.831 -9.760 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.713 -7.697 -8.056 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.869 -8.238 -9.716 1.00 0.00 H new ATOM 0 HG CYS A 78 23.122 -5.513 -8.576 1.00 0.00 H new ATOM 686 N GLN A 79 23.883 -10.227 -7.116 1.00 0.00 N ATOM 687 CA GLN A 79 24.371 -11.483 -6.576 1.00 0.00 C ATOM 688 C GLN A 79 23.278 -12.547 -6.624 1.00 0.00 C ATOM 689 O GLN A 79 23.485 -13.616 -7.198 1.00 0.00 O ATOM 690 CB GLN A 79 24.857 -11.261 -5.142 1.00 0.00 C ATOM 691 CG GLN A 79 25.424 -12.570 -4.589 1.00 0.00 C ATOM 692 CD GLN A 79 26.310 -12.320 -3.373 1.00 0.00 C ATOM 693 OE1 GLN A 79 26.091 -11.372 -2.625 1.00 0.00 O ATOM 694 NE2 GLN A 79 27.313 -13.176 -3.180 1.00 0.00 N ATOM 0 H GLN A 79 23.928 -9.447 -6.461 1.00 0.00 H new ATOM 0 HA GLN A 79 25.205 -11.838 -7.182 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.621 -10.484 -5.121 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.034 -10.916 -4.517 1.00 0.00 H new ATOM 0 HG2 GLN A 79 24.606 -13.236 -4.315 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.000 -13.075 -5.364 1.00 0.00 H new ATOM 0 HE21 GLN A 79 27.455 -13.950 -3.829 1.00 0.00 H new ATOM 0 HE22 GLN A 79 27.938 -13.058 -2.383 1.00 0.00 H new ATOM 703 N HIS A 80 22.120 -12.258 -6.019 1.00 0.00 N ATOM 704 CA HIS A 80 21.011 -13.199 -5.988 1.00 0.00 C ATOM 705 C HIS A 80 20.615 -13.592 -7.401 1.00 0.00 C ATOM 706 O HIS A 80 20.568 -14.773 -7.721 1.00 0.00 O ATOM 707 CB HIS A 80 19.814 -12.572 -5.268 1.00 0.00 C ATOM 708 CG HIS A 80 19.922 -12.645 -3.769 1.00 0.00 C ATOM 709 ND1 HIS A 80 18.965 -12.093 -2.928 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.850 -13.207 -2.927 1.00 0.00 C ATOM 711 CE1 HIS A 80 19.362 -12.349 -1.668 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.508 -13.027 -1.596 1.00 0.00 N ATOM 0 H HIS A 80 21.933 -11.375 -5.545 1.00 0.00 H new ATOM 0 HA HIS A 80 21.325 -14.093 -5.449 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.722 -11.528 -5.569 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.902 -13.077 -5.586 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.737 -13.725 -3.261 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.805 -12.035 -0.797 1.00 0.00 H new ATOM 0 HE2 HIS A 80 21.010 -13.337 -0.764 1.00 0.00 H new ATOM 720 N ARG A 81 20.321 -12.601 -8.245 1.00 0.00 N ATOM 721 CA ARG A 81 19.889 -12.860 -9.603 1.00 0.00 C ATOM 722 C ARG A 81 20.838 -13.837 -10.288 1.00 0.00 C ATOM 723 O ARG A 81 20.389 -14.789 -10.910 1.00 0.00 O ATOM 724 CB ARG A 81 19.810 -11.542 -10.385 1.00 0.00 C ATOM 725 CG ARG A 81 19.399 -11.811 -11.842 1.00 0.00 C ATOM 726 CD ARG A 81 18.026 -12.493 -11.888 1.00 0.00 C ATOM 727 NE ARG A 81 17.517 -12.557 -13.262 1.00 0.00 N ATOM 728 CZ ARG A 81 16.370 -13.174 -13.590 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.640 -13.785 -12.646 1.00 0.00 N ATOM 730 NH2 ARG A 81 15.952 -13.179 -14.862 1.00 0.00 N ATOM 0 H ARG A 81 20.377 -11.612 -8.003 1.00 0.00 H new ATOM 0 HA ARG A 81 18.898 -13.313 -9.579 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.089 -10.874 -9.914 1.00 0.00 H new ATOM 0 HB3 ARG A 81 20.776 -11.037 -10.359 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.366 -10.874 -12.397 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.143 -12.443 -12.327 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.102 -13.500 -11.477 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.323 -11.945 -11.261 1.00 0.00 H new ATOM 0 HE ARG A 81 18.059 -12.112 -14.003 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.955 -13.782 -11.676 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.769 -14.253 -12.898 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.505 -12.714 -15.582 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.081 -13.648 -15.111 1.00 0.00 H new ATOM 744 N TRP A 82 22.147 -13.605 -10.184 1.00 0.00 N ATOM 745 CA TRP A 82 23.107 -14.461 -10.847 1.00 0.00 C ATOM 746 C TRP A 82 23.242 -15.812 -10.132 1.00 0.00 C ATOM 747 O TRP A 82 22.776 -16.825 -10.638 1.00 0.00 O ATOM 748 CB TRP A 82 24.465 -13.768 -10.944 1.00 0.00 C ATOM 749 CG TRP A 82 25.485 -14.590 -11.663 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.479 -15.287 -11.088 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.602 -14.859 -13.093 1.00 0.00 C ATOM 752 NE1 TRP A 82 27.202 -15.976 -12.028 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.701 -15.751 -13.295 1.00 0.00 C ATOM 754 CE3 TRP A 82 24.888 -14.453 -14.245 1.00 0.00 C ATOM 755 CZ2 TRP A 82 27.065 -16.216 -14.560 1.00 0.00 C ATOM 756 CZ3 TRP A 82 25.254 -14.923 -15.525 1.00 0.00 C ATOM 757 CH2 TRP A 82 26.338 -15.805 -15.679 1.00 0.00 C ATOM 0 H TRP A 82 22.555 -12.837 -9.651 1.00 0.00 H new ATOM 0 HA TRP A 82 22.740 -14.654 -11.855 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.345 -12.815 -11.458 1.00 0.00 H new ATOM 0 HB3 TRP A 82 24.827 -13.545 -9.940 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.682 -15.303 -10.027 1.00 0.00 H new ATOM 0 HE1 TRP A 82 28.002 -16.574 -11.819 1.00 0.00 H new ATOM 0 HE3 TRP A 82 24.053 -13.775 -14.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 27.903 -16.889 -14.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 24.697 -14.602 -16.393 1.00 0.00 H new ATOM 0 HH2 TRP A 82 26.608 -16.164 -16.661 1.00 0.00 H new ATOM 768 N GLN A 83 23.905 -15.824 -8.970 1.00 0.00 N ATOM 769 CA GLN A 83 24.213 -17.060 -8.253 1.00 0.00 C ATOM 770 C GLN A 83 22.967 -17.904 -7.964 1.00 0.00 C ATOM 771 O GLN A 83 23.042 -19.130 -7.995 1.00 0.00 O ATOM 772 CB GLN A 83 24.930 -16.722 -6.940 1.00 0.00 C ATOM 773 CG GLN A 83 26.299 -16.097 -7.235 1.00 0.00 C ATOM 774 CD GLN A 83 27.187 -16.109 -5.993 1.00 0.00 C ATOM 775 OE1 GLN A 83 27.446 -15.066 -5.399 1.00 0.00 O ATOM 776 NE2 GLN A 83 27.655 -17.294 -5.602 1.00 0.00 N ATOM 0 H GLN A 83 24.240 -14.980 -8.505 1.00 0.00 H new ATOM 0 HA GLN A 83 24.859 -17.658 -8.896 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.325 -16.031 -6.353 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.055 -17.624 -6.341 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.787 -16.646 -8.040 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.167 -15.072 -7.582 1.00 0.00 H new ATOM 0 HE21 GLN A 83 27.414 -18.135 -6.126 1.00 0.00 H new ATOM 0 HE22 GLN A 83 28.254 -17.359 -4.779 1.00 0.00 H new ATOM 785 N LYS A 84 21.833 -17.265 -7.660 1.00 0.00 N ATOM 786 CA LYS A 84 20.628 -17.992 -7.276 1.00 0.00 C ATOM 787 C LYS A 84 19.778 -18.401 -8.491 1.00 0.00 C ATOM 788 O LYS A 84 18.772 -19.088 -8.310 1.00 0.00 O ATOM 789 CB LYS A 84 19.808 -17.124 -6.309 1.00 0.00 C ATOM 790 CG LYS A 84 19.058 -18.012 -5.315 1.00 0.00 C ATOM 791 CD LYS A 84 18.246 -17.133 -4.357 1.00 0.00 C ATOM 792 CE LYS A 84 17.543 -18.006 -3.311 1.00 0.00 C ATOM 793 NZ LYS A 84 16.530 -18.879 -3.933 1.00 0.00 N ATOM 0 H LYS A 84 21.728 -16.250 -7.673 1.00 0.00 H new ATOM 0 HA LYS A 84 20.930 -18.917 -6.784 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.467 -16.441 -5.773 1.00 0.00 H new ATOM 0 HB3 LYS A 84 19.100 -16.512 -6.868 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.397 -18.695 -5.848 1.00 0.00 H new ATOM 0 HG3 LYS A 84 19.764 -18.625 -4.754 1.00 0.00 H new ATOM 0 HD2 LYS A 84 18.903 -16.417 -3.863 1.00 0.00 H new ATOM 0 HD3 LYS A 84 17.509 -16.557 -4.916 1.00 0.00 H new ATOM 0 HE2 LYS A 84 18.280 -18.616 -2.789 1.00 0.00 H new ATOM 0 HE3 LYS A 84 17.068 -17.370 -2.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 15.947 -19.317 -3.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 15.924 -18.314 -4.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 17.004 -19.622 -4.485 1.00 0.00 H new ATOM 807 N VAL A 85 20.156 -17.994 -9.721 1.00 0.00 N ATOM 808 CA VAL A 85 19.368 -18.342 -10.909 1.00 0.00 C ATOM 809 C VAL A 85 20.280 -18.732 -12.082 1.00 0.00 C ATOM 810 O VAL A 85 20.249 -19.879 -12.527 1.00 0.00 O ATOM 811 CB VAL A 85 18.442 -17.170 -11.299 1.00 0.00 C ATOM 812 CG1 VAL A 85 17.341 -17.682 -12.231 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.796 -16.549 -10.050 1.00 0.00 C ATOM 0 H VAL A 85 20.988 -17.434 -9.910 1.00 0.00 H new ATOM 0 HA VAL A 85 18.750 -19.207 -10.668 1.00 0.00 H new ATOM 0 HB VAL A 85 19.038 -16.409 -11.803 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.686 -16.856 -12.508 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.792 -18.104 -13.129 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.760 -18.450 -11.721 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.147 -15.725 -10.347 1.00 0.00 H new ATOM 0 HG22 VAL A 85 17.207 -17.305 -9.531 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.575 -16.176 -9.385 1.00 0.00 H new ATOM 823 N LEU A 86 21.079 -17.784 -12.596 1.00 0.00 N ATOM 824 CA LEU A 86 21.948 -18.046 -13.743 1.00 0.00 C ATOM 825 C LEU A 86 23.021 -19.067 -13.372 1.00 0.00 C ATOM 826 O LEU A 86 23.616 -18.989 -12.300 1.00 0.00 O ATOM 827 CB LEU A 86 22.627 -16.747 -14.214 1.00 0.00 C ATOM 828 CG LEU A 86 21.692 -15.865 -15.071 1.00 0.00 C ATOM 829 CD1 LEU A 86 21.116 -16.664 -16.246 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.557 -15.300 -14.219 1.00 0.00 C ATOM 0 H LEU A 86 21.138 -16.833 -12.233 1.00 0.00 H new ATOM 0 HA LEU A 86 21.333 -18.443 -14.551 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.960 -16.180 -13.345 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.517 -16.996 -14.792 1.00 0.00 H new ATOM 0 HG LEU A 86 22.280 -15.038 -15.468 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.461 -16.023 -16.836 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.930 -17.026 -16.874 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.547 -17.512 -15.865 1.00 0.00 H new ATOM 0 HD21 LEU A 86 19.909 -14.681 -14.840 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.978 -16.120 -13.794 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.973 -14.695 -13.414 1.00 0.00 H new