USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 707 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 Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -113:sc= -4.04! (180deg=-7.81!) USER MOD Single : A 21 ASN : amide:sc= -2.12 X(o=-2.1,f=-2.2!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 158:sc= -0.934 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 66:sc= 1.23 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 100:sc= -3.57! USER MOD Single : A 56 THR OG1 : rot 160:sc= -0.717 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.6 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -159:sc= -0.232 (180deg=-0.97) USER MOD Single : A 86 MET CE :methyl -131:sc= -0.98 (180deg=-3.38!) USER MOD Single : A 87 MET CE :methyl -105:sc= -0.174 (180deg=-2.05!) USER MOD Single : A 91 SER OG : rot -78:sc= 1.24 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 75 N LEU A 5 10.285 -8.531 -6.632 1.00 0.00 N ATOM 76 CA LEU A 5 11.315 -8.234 -7.620 1.00 0.00 C ATOM 77 C LEU A 5 11.350 -9.302 -8.709 1.00 0.00 C ATOM 78 O LEU A 5 10.983 -10.453 -8.476 1.00 0.00 O ATOM 79 CB LEU A 5 12.684 -8.133 -6.945 1.00 0.00 C ATOM 80 CG LEU A 5 12.986 -6.813 -6.233 1.00 0.00 C ATOM 81 CD1 LEU A 5 14.301 -6.905 -5.474 1.00 0.00 C ATOM 82 CD2 LEU A 5 13.022 -5.665 -7.230 1.00 0.00 C ATOM 0 HA LEU A 5 11.074 -7.277 -8.083 1.00 0.00 H new ATOM 0 HB2 LEU A 5 12.770 -8.942 -6.219 1.00 0.00 H new ATOM 0 HB3 LEU A 5 13.452 -8.299 -7.700 1.00 0.00 H new ATOM 0 HG LEU A 5 12.189 -6.619 -5.515 1.00 0.00 H new ATOM 0 HD11 LEU A 5 14.500 -5.957 -4.974 1.00 0.00 H new ATOM 0 HD12 LEU A 5 14.238 -7.701 -4.732 1.00 0.00 H new ATOM 0 HD13 LEU A 5 15.109 -7.123 -6.172 1.00 0.00 H new ATOM 0 HD21 LEU A 5 13.238 -4.734 -6.706 1.00 0.00 H new ATOM 0 HD22 LEU A 5 13.798 -5.852 -7.972 1.00 0.00 H new ATOM 0 HD23 LEU A 5 12.056 -5.585 -7.728 1.00 0.00 H new ATOM 94 N LYS A 6 11.797 -8.912 -9.898 1.00 0.00 N ATOM 95 CA LYS A 6 11.884 -9.836 -11.023 1.00 0.00 C ATOM 96 C LYS A 6 13.296 -9.858 -11.600 1.00 0.00 C ATOM 97 O LYS A 6 13.725 -8.908 -12.255 1.00 0.00 O ATOM 98 CB LYS A 6 10.882 -9.443 -12.111 1.00 0.00 C ATOM 99 CG LYS A 6 9.524 -9.034 -11.568 1.00 0.00 C ATOM 100 CD LYS A 6 8.409 -9.376 -12.542 1.00 0.00 C ATOM 101 CE LYS A 6 7.919 -10.803 -12.351 1.00 0.00 C ATOM 102 NZ LYS A 6 6.868 -10.893 -11.301 1.00 0.00 N ATOM 0 H LYS A 6 12.105 -7.962 -10.108 1.00 0.00 H new ATOM 0 HA LYS A 6 11.643 -10.835 -10.660 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.295 -8.619 -12.693 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.753 -10.282 -12.795 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.345 -9.536 -10.617 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.518 -7.962 -11.369 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.579 -8.684 -12.403 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.765 -9.246 -13.564 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.523 -11.180 -13.294 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.759 -11.442 -12.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.561 -11.882 -11.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.253 -10.557 -10.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.055 -10.303 -11.572 1.00 0.00 H new ATOM 116 N VAL A 7 14.013 -10.950 -11.356 1.00 0.00 N ATOM 117 CA VAL A 7 15.376 -11.097 -11.854 1.00 0.00 C ATOM 118 C VAL A 7 15.512 -12.344 -12.721 1.00 0.00 C ATOM 119 O VAL A 7 15.252 -13.460 -12.269 1.00 0.00 O ATOM 120 CB VAL A 7 16.390 -11.176 -10.698 1.00 0.00 C ATOM 121 CG1 VAL A 7 16.522 -9.825 -10.010 1.00 0.00 C ATOM 122 CG2 VAL A 7 15.983 -12.252 -9.703 1.00 0.00 C ATOM 0 H VAL A 7 13.673 -11.746 -10.817 1.00 0.00 H new ATOM 0 HA VAL A 7 15.591 -10.214 -12.456 1.00 0.00 H new ATOM 0 HB VAL A 7 17.363 -11.444 -11.110 1.00 0.00 H new ATOM 0 HG11 VAL A 7 17.243 -9.900 -9.196 1.00 0.00 H new ATOM 0 HG12 VAL A 7 16.864 -9.082 -10.730 1.00 0.00 H new ATOM 0 HG13 VAL A 7 15.554 -9.524 -9.611 1.00 0.00 H new ATOM 0 HG21 VAL A 7 16.711 -12.293 -8.893 1.00 0.00 H new ATOM 0 HG22 VAL A 7 15.000 -12.017 -9.295 1.00 0.00 H new ATOM 0 HG23 VAL A 7 15.946 -13.218 -10.207 1.00 0.00 H new ATOM 132 N LYS A 8 15.922 -12.147 -13.969 1.00 0.00 N ATOM 133 CA LYS A 8 16.096 -13.255 -14.901 1.00 0.00 C ATOM 134 C LYS A 8 17.400 -13.112 -15.679 1.00 0.00 C ATOM 135 O LYS A 8 17.915 -12.007 -15.851 1.00 0.00 O ATOM 136 CB LYS A 8 14.915 -13.322 -15.872 1.00 0.00 C ATOM 137 CG LYS A 8 14.750 -12.069 -16.716 1.00 0.00 C ATOM 138 CD LYS A 8 13.794 -11.082 -16.067 1.00 0.00 C ATOM 139 CE LYS A 8 12.366 -11.293 -16.547 1.00 0.00 C ATOM 140 NZ LYS A 8 11.592 -10.020 -16.559 1.00 0.00 N ATOM 0 H LYS A 8 16.140 -11.230 -14.359 1.00 0.00 H new ATOM 0 HA LYS A 8 16.137 -14.179 -14.324 1.00 0.00 H new ATOM 0 HB2 LYS A 8 15.046 -14.180 -16.532 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.999 -13.492 -15.306 1.00 0.00 H new ATOM 0 HG2 LYS A 8 15.721 -11.595 -16.860 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.379 -12.341 -17.704 1.00 0.00 H new ATOM 0 HD2 LYS A 8 13.835 -11.193 -14.983 1.00 0.00 H new ATOM 0 HD3 LYS A 8 14.109 -10.064 -16.296 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.379 -11.720 -17.550 1.00 0.00 H new ATOM 0 HE3 LYS A 8 11.868 -12.015 -15.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.624 -10.205 -16.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.558 -9.625 -15.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.053 -9.339 -17.196 1.00 0.00 H new ATOM 154 N VAL A 9 17.930 -14.237 -16.150 1.00 0.00 N ATOM 155 CA VAL A 9 19.173 -14.236 -16.912 1.00 0.00 C ATOM 156 C VAL A 9 18.992 -13.543 -18.258 1.00 0.00 C ATOM 157 O VAL A 9 18.088 -13.878 -19.022 1.00 0.00 O ATOM 158 CB VAL A 9 19.686 -15.669 -17.150 1.00 0.00 C ATOM 159 CG1 VAL A 9 20.937 -15.651 -18.015 1.00 0.00 C ATOM 160 CG2 VAL A 9 19.955 -16.365 -15.824 1.00 0.00 C ATOM 0 H VAL A 9 17.518 -15.160 -16.017 1.00 0.00 H new ATOM 0 HA VAL A 9 19.907 -13.688 -16.320 1.00 0.00 H new ATOM 0 HB VAL A 9 18.915 -16.230 -17.679 1.00 0.00 H new ATOM 0 HG11 VAL A 9 21.285 -16.672 -18.173 1.00 0.00 H new ATOM 0 HG12 VAL A 9 20.707 -15.193 -18.977 1.00 0.00 H new ATOM 0 HG13 VAL A 9 21.716 -15.075 -17.516 1.00 0.00 H new ATOM 0 HG21 VAL A 9 20.317 -17.376 -16.011 1.00 0.00 H new ATOM 0 HG22 VAL A 9 20.708 -15.807 -15.267 1.00 0.00 H new ATOM 0 HG23 VAL A 9 19.034 -16.411 -15.244 1.00 0.00 H new ATOM 170 N GLU A 10 19.858 -12.576 -18.540 1.00 0.00 N ATOM 171 CA GLU A 10 19.793 -11.835 -19.795 1.00 0.00 C ATOM 172 C GLU A 10 20.933 -12.240 -20.726 1.00 0.00 C ATOM 173 O GLU A 10 20.784 -12.229 -21.948 1.00 0.00 O ATOM 174 CB GLU A 10 19.849 -10.330 -19.528 1.00 0.00 C ATOM 175 CG GLU A 10 21.243 -9.820 -19.204 1.00 0.00 C ATOM 176 CD GLU A 10 21.275 -8.323 -18.962 1.00 0.00 C ATOM 177 OE1 GLU A 10 20.235 -7.765 -18.557 1.00 0.00 O ATOM 178 OE2 GLU A 10 22.342 -7.711 -19.179 1.00 0.00 O ATOM 0 H GLU A 10 20.613 -12.287 -17.918 1.00 0.00 H new ATOM 0 HA GLU A 10 18.847 -12.076 -20.280 1.00 0.00 H new ATOM 0 HB2 GLU A 10 19.472 -9.800 -20.403 1.00 0.00 H new ATOM 0 HB3 GLU A 10 19.182 -10.092 -18.699 1.00 0.00 H new ATOM 0 HG2 GLU A 10 21.618 -10.335 -18.320 1.00 0.00 H new ATOM 0 HG3 GLU A 10 21.916 -10.066 -20.025 1.00 0.00 H new ATOM 185 N ASP A 11 22.070 -12.596 -20.138 1.00 0.00 N ATOM 186 CA ASP A 11 23.235 -13.005 -20.914 1.00 0.00 C ATOM 187 C ASP A 11 24.195 -13.827 -20.059 1.00 0.00 C ATOM 188 O ASP A 11 24.830 -13.304 -19.143 1.00 0.00 O ATOM 189 CB ASP A 11 23.956 -11.779 -21.477 1.00 0.00 C ATOM 190 CG ASP A 11 24.987 -12.145 -22.526 1.00 0.00 C ATOM 191 OD1 ASP A 11 25.087 -13.342 -22.868 1.00 0.00 O ATOM 192 OD2 ASP A 11 25.696 -11.235 -23.004 1.00 0.00 O ATOM 0 H ASP A 11 22.210 -12.610 -19.128 1.00 0.00 H new ATOM 0 HA ASP A 11 22.891 -13.625 -21.741 1.00 0.00 H new ATOM 0 HB2 ASP A 11 23.224 -11.099 -21.913 1.00 0.00 H new ATOM 0 HB3 ASP A 11 24.444 -11.243 -20.663 1.00 0.00 H new ATOM 197 N PHE A 12 24.296 -15.117 -20.365 1.00 0.00 N ATOM 198 CA PHE A 12 25.177 -16.011 -19.624 1.00 0.00 C ATOM 199 C PHE A 12 26.403 -16.379 -20.454 1.00 0.00 C ATOM 200 O PHE A 12 26.335 -16.458 -21.680 1.00 0.00 O ATOM 201 CB PHE A 12 24.424 -17.280 -19.216 1.00 0.00 C ATOM 202 CG PHE A 12 23.806 -18.009 -20.374 1.00 0.00 C ATOM 203 CD1 PHE A 12 24.519 -18.979 -21.060 1.00 0.00 C ATOM 204 CD2 PHE A 12 22.511 -17.723 -20.778 1.00 0.00 C ATOM 205 CE1 PHE A 12 23.953 -19.652 -22.126 1.00 0.00 C ATOM 206 CE2 PHE A 12 21.940 -18.393 -21.843 1.00 0.00 C ATOM 207 CZ PHE A 12 22.662 -19.357 -22.519 1.00 0.00 C ATOM 0 H PHE A 12 23.779 -15.566 -21.121 1.00 0.00 H new ATOM 0 HA PHE A 12 25.511 -15.490 -18.727 1.00 0.00 H new ATOM 0 HB2 PHE A 12 25.111 -17.951 -18.700 1.00 0.00 H new ATOM 0 HB3 PHE A 12 23.642 -17.016 -18.504 1.00 0.00 H new ATOM 0 HD1 PHE A 12 25.529 -19.212 -20.758 1.00 0.00 H new ATOM 0 HD2 PHE A 12 21.942 -16.968 -20.255 1.00 0.00 H new ATOM 0 HE1 PHE A 12 24.519 -20.407 -22.651 1.00 0.00 H new ATOM 0 HE2 PHE A 12 20.929 -18.163 -22.147 1.00 0.00 H new ATOM 0 HZ PHE A 12 22.218 -19.879 -23.354 1.00 0.00 H new ATOM 217 N GLY A 13 27.525 -16.602 -19.776 1.00 0.00 N ATOM 218 CA GLY A 13 28.751 -16.958 -20.467 1.00 0.00 C ATOM 219 C GLY A 13 29.759 -17.625 -19.552 1.00 0.00 C ATOM 220 O GLY A 13 29.614 -17.594 -18.330 1.00 0.00 O ATOM 0 H GLY A 13 27.607 -16.543 -18.761 1.00 0.00 H new ATOM 0 HA2 GLY A 13 28.517 -17.628 -21.294 1.00 0.00 H new ATOM 0 HA3 GLY A 13 29.195 -16.061 -20.899 1.00 0.00 H new ATOM 224 N PHE A 14 30.782 -18.231 -20.145 1.00 0.00 N ATOM 225 CA PHE A 14 31.818 -18.911 -19.375 1.00 0.00 C ATOM 226 C PHE A 14 33.203 -18.396 -19.753 1.00 0.00 C ATOM 227 O PHE A 14 33.487 -18.150 -20.925 1.00 0.00 O ATOM 228 CB PHE A 14 31.743 -20.422 -19.603 1.00 0.00 C ATOM 229 CG PHE A 14 30.343 -20.965 -19.571 1.00 0.00 C ATOM 230 CD1 PHE A 14 29.450 -20.556 -18.594 1.00 0.00 C ATOM 231 CD2 PHE A 14 29.920 -21.883 -20.518 1.00 0.00 C ATOM 232 CE1 PHE A 14 28.161 -21.054 -18.561 1.00 0.00 C ATOM 233 CE2 PHE A 14 28.632 -22.385 -20.491 1.00 0.00 C ATOM 234 CZ PHE A 14 27.751 -21.969 -19.512 1.00 0.00 C ATOM 0 H PHE A 14 30.916 -18.265 -21.156 1.00 0.00 H new ATOM 0 HA PHE A 14 31.648 -18.701 -18.319 1.00 0.00 H new ATOM 0 HB2 PHE A 14 32.194 -20.659 -20.567 1.00 0.00 H new ATOM 0 HB3 PHE A 14 32.337 -20.926 -18.841 1.00 0.00 H new ATOM 0 HD1 PHE A 14 29.765 -19.840 -17.849 1.00 0.00 H new ATOM 0 HD2 PHE A 14 30.604 -22.211 -21.287 1.00 0.00 H new ATOM 0 HE1 PHE A 14 27.475 -20.728 -17.793 1.00 0.00 H new ATOM 0 HE2 PHE A 14 28.315 -23.101 -21.234 1.00 0.00 H new ATOM 0 HZ PHE A 14 26.744 -22.358 -19.490 1.00 0.00 H new ATOM 244 N ARG A 15 34.062 -18.234 -18.751 1.00 0.00 N ATOM 245 CA ARG A 15 35.417 -17.747 -18.978 1.00 0.00 C ATOM 246 C ARG A 15 36.444 -18.833 -18.670 1.00 0.00 C ATOM 247 O ARG A 15 36.855 -19.003 -17.523 1.00 0.00 O ATOM 248 CB ARG A 15 35.689 -16.513 -18.114 1.00 0.00 C ATOM 249 CG ARG A 15 36.599 -15.494 -18.779 1.00 0.00 C ATOM 250 CD ARG A 15 35.874 -14.731 -19.877 1.00 0.00 C ATOM 251 NE ARG A 15 36.794 -13.949 -20.699 1.00 0.00 N ATOM 252 CZ ARG A 15 36.402 -13.165 -21.697 1.00 0.00 C ATOM 253 NH1 ARG A 15 35.114 -13.060 -21.996 1.00 0.00 N ATOM 254 NH2 ARG A 15 37.298 -12.484 -22.399 1.00 0.00 N ATOM 0 H ARG A 15 33.843 -18.433 -17.775 1.00 0.00 H new ATOM 0 HA ARG A 15 35.507 -17.474 -20.029 1.00 0.00 H new ATOM 0 HB2 ARG A 15 34.740 -16.035 -17.869 1.00 0.00 H new ATOM 0 HB3 ARG A 15 36.139 -16.830 -17.173 1.00 0.00 H new ATOM 0 HG2 ARG A 15 36.969 -14.793 -18.031 1.00 0.00 H new ATOM 0 HG3 ARG A 15 37.468 -16.000 -19.199 1.00 0.00 H new ATOM 0 HD2 ARG A 15 35.331 -15.434 -20.509 1.00 0.00 H new ATOM 0 HD3 ARG A 15 35.134 -14.067 -19.430 1.00 0.00 H new ATOM 0 HE ARG A 15 37.792 -14.008 -20.496 1.00 0.00 H new ATOM 0 HH11 ARG A 15 34.422 -13.582 -21.459 1.00 0.00 H new ATOM 0 HH12 ARG A 15 34.816 -12.457 -22.763 1.00 0.00 H new ATOM 0 HH21 ARG A 15 38.290 -12.562 -22.173 1.00 0.00 H new ATOM 0 HH22 ARG A 15 36.995 -11.882 -23.165 1.00 0.00 H new ATOM 268 N GLU A 16 36.852 -19.564 -19.702 1.00 0.00 N ATOM 269 CA GLU A 16 37.829 -20.634 -19.540 1.00 0.00 C ATOM 270 C GLU A 16 39.151 -20.088 -19.008 1.00 0.00 C ATOM 271 O GLU A 16 39.921 -20.807 -18.372 1.00 0.00 O ATOM 272 CB GLU A 16 38.060 -21.350 -20.873 1.00 0.00 C ATOM 273 CG GLU A 16 38.818 -20.513 -21.890 1.00 0.00 C ATOM 274 CD GLU A 16 38.543 -20.942 -23.318 1.00 0.00 C ATOM 275 OE1 GLU A 16 37.590 -20.410 -23.925 1.00 0.00 O ATOM 276 OE2 GLU A 16 39.282 -21.809 -23.829 1.00 0.00 O ATOM 0 H GLU A 16 36.522 -19.435 -20.658 1.00 0.00 H new ATOM 0 HA GLU A 16 37.433 -21.347 -18.817 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.612 -22.272 -20.690 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.096 -21.634 -21.295 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.543 -19.465 -21.770 1.00 0.00 H new ATOM 0 HG3 GLU A 16 39.887 -20.587 -21.692 1.00 0.00 H new ATOM 283 N ASP A 17 39.407 -18.811 -19.275 1.00 0.00 N ATOM 284 CA ASP A 17 40.635 -18.167 -18.823 1.00 0.00 C ATOM 285 C ASP A 17 40.704 -18.138 -17.300 1.00 0.00 C ATOM 286 O ASP A 17 41.788 -18.087 -16.719 1.00 0.00 O ATOM 287 CB ASP A 17 40.723 -16.745 -19.378 1.00 0.00 C ATOM 288 CG ASP A 17 42.034 -16.068 -19.030 1.00 0.00 C ATOM 289 OD1 ASP A 17 42.151 -15.545 -17.902 1.00 0.00 O ATOM 290 OD2 ASP A 17 42.944 -16.061 -19.886 1.00 0.00 O ATOM 0 H ASP A 17 38.781 -18.202 -19.802 1.00 0.00 H new ATOM 0 HA ASP A 17 41.480 -18.747 -19.195 1.00 0.00 H new ATOM 0 HB2 ASP A 17 40.608 -16.773 -20.462 1.00 0.00 H new ATOM 0 HB3 ASP A 17 39.896 -16.153 -18.985 1.00 0.00 H new ATOM 295 N MET A 18 39.540 -18.169 -16.658 1.00 0.00 N ATOM 296 CA MET A 18 39.470 -18.146 -15.202 1.00 0.00 C ATOM 297 C MET A 18 38.996 -19.490 -14.659 1.00 0.00 C ATOM 298 O MET A 18 39.316 -19.863 -13.531 1.00 0.00 O ATOM 299 CB MET A 18 38.530 -17.033 -14.733 1.00 0.00 C ATOM 300 CG MET A 18 39.116 -15.639 -14.885 1.00 0.00 C ATOM 301 SD MET A 18 38.302 -14.424 -13.830 1.00 0.00 S ATOM 302 CE MET A 18 36.713 -14.280 -14.644 1.00 0.00 C ATOM 0 H MET A 18 38.633 -18.210 -17.123 1.00 0.00 H new ATOM 0 HA MET A 18 40.472 -17.952 -14.818 1.00 0.00 H new ATOM 0 HB2 MET A 18 37.600 -17.091 -15.299 1.00 0.00 H new ATOM 0 HB3 MET A 18 38.277 -17.200 -13.686 1.00 0.00 H new ATOM 0 HG2 MET A 18 40.179 -15.668 -14.646 1.00 0.00 H new ATOM 0 HG3 MET A 18 39.032 -15.325 -15.925 1.00 0.00 H new ATOM 0 HE1 MET A 18 36.614 -13.284 -15.076 1.00 0.00 H new ATOM 0 HE2 MET A 18 36.640 -15.027 -15.434 1.00 0.00 H new ATOM 0 HE3 MET A 18 35.916 -14.441 -13.918 1.00 0.00 H new ATOM 312 N GLY A 19 38.229 -20.214 -15.470 1.00 0.00 N ATOM 313 CA GLY A 19 37.723 -21.508 -15.053 1.00 0.00 C ATOM 314 C GLY A 19 36.406 -21.404 -14.311 1.00 0.00 C ATOM 315 O GLY A 19 36.012 -22.327 -13.596 1.00 0.00 O ATOM 0 H GLY A 19 37.950 -19.927 -16.408 1.00 0.00 H new ATOM 0 HA2 GLY A 19 37.594 -22.143 -15.929 1.00 0.00 H new ATOM 0 HA3 GLY A 19 38.460 -21.994 -14.413 1.00 0.00 H new ATOM 319 N LEU A 20 35.723 -20.277 -14.477 1.00 0.00 N ATOM 320 CA LEU A 20 34.441 -20.054 -13.816 1.00 0.00 C ATOM 321 C LEU A 20 33.383 -19.602 -14.818 1.00 0.00 C ATOM 322 O LEU A 20 33.693 -19.301 -15.969 1.00 0.00 O ATOM 323 CB LEU A 20 34.591 -19.009 -12.709 1.00 0.00 C ATOM 324 CG LEU A 20 35.473 -17.804 -13.039 1.00 0.00 C ATOM 325 CD1 LEU A 20 34.795 -16.912 -14.067 1.00 0.00 C ATOM 326 CD2 LEU A 20 35.794 -17.017 -11.777 1.00 0.00 C ATOM 0 H LEU A 20 36.035 -19.503 -15.064 1.00 0.00 H new ATOM 0 HA LEU A 20 34.118 -20.997 -13.376 1.00 0.00 H new ATOM 0 HB2 LEU A 20 33.598 -18.646 -12.443 1.00 0.00 H new ATOM 0 HB3 LEU A 20 34.998 -19.501 -11.825 1.00 0.00 H new ATOM 0 HG LEU A 20 36.408 -18.168 -13.464 1.00 0.00 H new ATOM 0 HD11 LEU A 20 35.437 -16.060 -14.289 1.00 0.00 H new ATOM 0 HD12 LEU A 20 34.616 -17.480 -14.980 1.00 0.00 H new ATOM 0 HD13 LEU A 20 33.845 -16.556 -13.669 1.00 0.00 H new ATOM 0 HD21 LEU A 20 36.422 -16.163 -12.031 1.00 0.00 H new ATOM 0 HD22 LEU A 20 34.868 -16.664 -11.323 1.00 0.00 H new ATOM 0 HD23 LEU A 20 36.322 -17.659 -11.072 1.00 0.00 H new ATOM 338 N ASN A 21 32.133 -19.557 -14.369 1.00 0.00 N ATOM 339 CA ASN A 21 31.028 -19.140 -15.226 1.00 0.00 C ATOM 340 C ASN A 21 30.401 -17.847 -14.714 1.00 0.00 C ATOM 341 O ASN A 21 30.355 -17.601 -13.508 1.00 0.00 O ATOM 342 CB ASN A 21 29.968 -20.241 -15.298 1.00 0.00 C ATOM 343 CG ASN A 21 29.909 -21.071 -14.030 1.00 0.00 C ATOM 344 OD1 ASN A 21 29.602 -20.559 -12.953 1.00 0.00 O ATOM 345 ND2 ASN A 21 30.204 -22.360 -14.153 1.00 0.00 N ATOM 0 H ASN A 21 31.860 -19.804 -13.418 1.00 0.00 H new ATOM 0 HA ASN A 21 31.424 -18.960 -16.226 1.00 0.00 H new ATOM 0 HB2 ASN A 21 28.992 -19.791 -15.480 1.00 0.00 H new ATOM 0 HB3 ASN A 21 30.182 -20.892 -16.146 1.00 0.00 H new ATOM 0 HD21 ASN A 21 30.181 -22.969 -13.335 1.00 0.00 H new ATOM 0 HD22 ASN A 21 30.453 -22.741 -15.066 1.00 0.00 H new ATOM 352 N TYR A 22 29.918 -17.024 -15.638 1.00 0.00 N ATOM 353 CA TYR A 22 29.295 -15.755 -15.281 1.00 0.00 C ATOM 354 C TYR A 22 27.938 -15.604 -15.964 1.00 0.00 C ATOM 355 O TYR A 22 27.683 -16.209 -17.005 1.00 0.00 O ATOM 356 CB TYR A 22 30.206 -14.589 -15.668 1.00 0.00 C ATOM 357 CG TYR A 22 30.244 -14.317 -17.155 1.00 0.00 C ATOM 358 CD1 TYR A 22 29.299 -13.493 -17.754 1.00 0.00 C ATOM 359 CD2 TYR A 22 31.223 -14.885 -17.960 1.00 0.00 C ATOM 360 CE1 TYR A 22 29.329 -13.242 -19.112 1.00 0.00 C ATOM 361 CE2 TYR A 22 31.262 -14.638 -19.319 1.00 0.00 C ATOM 362 CZ TYR A 22 30.312 -13.816 -19.890 1.00 0.00 C ATOM 363 OH TYR A 22 30.347 -13.570 -21.244 1.00 0.00 O ATOM 0 H TYR A 22 29.946 -17.213 -16.640 1.00 0.00 H new ATOM 0 HA TYR A 22 29.142 -15.745 -14.202 1.00 0.00 H new ATOM 0 HB2 TYR A 22 29.870 -13.690 -15.151 1.00 0.00 H new ATOM 0 HB3 TYR A 22 31.217 -14.798 -15.320 1.00 0.00 H new ATOM 0 HD1 TYR A 22 28.528 -13.041 -17.148 1.00 0.00 H new ATOM 0 HD2 TYR A 22 31.966 -15.531 -17.516 1.00 0.00 H new ATOM 0 HE1 TYR A 22 28.586 -12.600 -19.562 1.00 0.00 H new ATOM 0 HE2 TYR A 22 32.031 -15.086 -19.931 1.00 0.00 H new ATOM 0 HH TYR A 22 31.102 -14.049 -21.644 1.00 0.00 H new ATOM 373 N VAL A 23 27.072 -14.790 -15.369 1.00 0.00 N ATOM 374 CA VAL A 23 25.742 -14.555 -15.919 1.00 0.00 C ATOM 375 C VAL A 23 25.222 -13.176 -15.531 1.00 0.00 C ATOM 376 O VAL A 23 25.409 -12.726 -14.401 1.00 0.00 O ATOM 377 CB VAL A 23 24.740 -15.622 -15.439 1.00 0.00 C ATOM 378 CG1 VAL A 23 24.757 -15.726 -13.921 1.00 0.00 C ATOM 379 CG2 VAL A 23 23.341 -15.305 -15.944 1.00 0.00 C ATOM 0 H VAL A 23 27.267 -14.282 -14.506 1.00 0.00 H new ATOM 0 HA VAL A 23 25.834 -14.614 -17.004 1.00 0.00 H new ATOM 0 HB VAL A 23 25.039 -16.587 -15.849 1.00 0.00 H new ATOM 0 HG11 VAL A 23 24.043 -16.485 -13.600 1.00 0.00 H new ATOM 0 HG12 VAL A 23 25.756 -16.004 -13.587 1.00 0.00 H new ATOM 0 HG13 VAL A 23 24.484 -14.764 -13.487 1.00 0.00 H new ATOM 0 HG21 VAL A 23 22.646 -16.069 -15.595 1.00 0.00 H new ATOM 0 HG22 VAL A 23 23.029 -14.332 -15.565 1.00 0.00 H new ATOM 0 HG23 VAL A 23 23.343 -15.287 -17.034 1.00 0.00 H new ATOM 389 N ARG A 24 24.569 -12.508 -16.477 1.00 0.00 N ATOM 390 CA ARG A 24 24.022 -11.179 -16.235 1.00 0.00 C ATOM 391 C ARG A 24 22.531 -11.253 -15.917 1.00 0.00 C ATOM 392 O ARG A 24 21.762 -11.881 -16.645 1.00 0.00 O ATOM 393 CB ARG A 24 24.250 -10.281 -17.452 1.00 0.00 C ATOM 394 CG ARG A 24 25.634 -9.653 -17.494 1.00 0.00 C ATOM 395 CD ARG A 24 26.720 -10.706 -17.645 1.00 0.00 C ATOM 396 NE ARG A 24 27.935 -10.159 -18.243 1.00 0.00 N ATOM 397 CZ ARG A 24 28.095 -9.980 -19.549 1.00 0.00 C ATOM 398 NH1 ARG A 24 27.122 -10.304 -20.390 1.00 0.00 N ATOM 399 NH2 ARG A 24 29.229 -9.477 -20.017 1.00 0.00 N ATOM 0 H ARG A 24 24.406 -12.866 -17.418 1.00 0.00 H new ATOM 0 HA ARG A 24 24.539 -10.753 -15.375 1.00 0.00 H new ATOM 0 HB2 ARG A 24 24.098 -10.867 -18.359 1.00 0.00 H new ATOM 0 HB3 ARG A 24 23.501 -9.489 -17.455 1.00 0.00 H new ATOM 0 HG2 ARG A 24 25.690 -8.949 -18.325 1.00 0.00 H new ATOM 0 HG3 ARG A 24 25.804 -9.082 -16.581 1.00 0.00 H new ATOM 0 HD2 ARG A 24 26.955 -11.127 -16.667 1.00 0.00 H new ATOM 0 HD3 ARG A 24 26.349 -11.524 -18.263 1.00 0.00 H new ATOM 0 HE ARG A 24 28.703 -9.900 -17.623 1.00 0.00 H new ATOM 0 HH11 ARG A 24 26.248 -10.692 -20.034 1.00 0.00 H new ATOM 0 HH12 ARG A 24 27.247 -10.165 -21.393 1.00 0.00 H new ATOM 0 HH21 ARG A 24 29.980 -9.227 -19.374 1.00 0.00 H new ATOM 0 HH22 ARG A 24 29.350 -9.340 -21.020 1.00 0.00 H new ATOM 413 N TYR A 25 22.132 -10.610 -14.826 1.00 0.00 N ATOM 414 CA TYR A 25 20.734 -10.605 -14.410 1.00 0.00 C ATOM 415 C TYR A 25 20.085 -9.254 -14.694 1.00 0.00 C ATOM 416 O TYR A 25 20.726 -8.209 -14.580 1.00 0.00 O ATOM 417 CB TYR A 25 20.623 -10.934 -12.920 1.00 0.00 C ATOM 418 CG TYR A 25 21.222 -12.272 -12.549 1.00 0.00 C ATOM 419 CD1 TYR A 25 20.552 -13.457 -12.826 1.00 0.00 C ATOM 420 CD2 TYR A 25 22.459 -12.350 -11.921 1.00 0.00 C ATOM 421 CE1 TYR A 25 21.095 -14.681 -12.487 1.00 0.00 C ATOM 422 CE2 TYR A 25 23.011 -13.570 -11.581 1.00 0.00 C ATOM 423 CZ TYR A 25 22.325 -14.732 -11.865 1.00 0.00 C ATOM 424 OH TYR A 25 22.870 -15.950 -11.528 1.00 0.00 O ATOM 0 H TYR A 25 22.756 -10.085 -14.213 1.00 0.00 H new ATOM 0 HA TYR A 25 20.208 -11.367 -14.984 1.00 0.00 H new ATOM 0 HB2 TYR A 25 21.119 -10.152 -12.346 1.00 0.00 H new ATOM 0 HB3 TYR A 25 19.572 -10.923 -12.631 1.00 0.00 H new ATOM 0 HD1 TYR A 25 19.590 -13.421 -13.315 1.00 0.00 H new ATOM 0 HD2 TYR A 25 22.998 -11.442 -11.695 1.00 0.00 H new ATOM 0 HE1 TYR A 25 20.560 -15.593 -12.708 1.00 0.00 H new ATOM 0 HE2 TYR A 25 23.975 -13.613 -11.095 1.00 0.00 H new ATOM 0 HH TYR A 25 23.841 -15.859 -11.433 1.00 0.00 H new ATOM 434 N ARG A 26 18.809 -9.284 -15.063 1.00 0.00 N ATOM 435 CA ARG A 26 18.072 -8.063 -15.364 1.00 0.00 C ATOM 436 C ARG A 26 17.049 -7.762 -14.273 1.00 0.00 C ATOM 437 O ARG A 26 16.083 -8.504 -14.092 1.00 0.00 O ATOM 438 CB ARG A 26 17.369 -8.186 -16.717 1.00 0.00 C ATOM 439 CG ARG A 26 17.176 -6.856 -17.427 1.00 0.00 C ATOM 440 CD ARG A 26 17.019 -7.043 -18.928 1.00 0.00 C ATOM 441 NE ARG A 26 15.737 -7.652 -19.273 1.00 0.00 N ATOM 442 CZ ARG A 26 15.352 -7.898 -20.520 1.00 0.00 C ATOM 443 NH1 ARG A 26 16.146 -7.588 -21.535 1.00 0.00 N ATOM 444 NH2 ARG A 26 14.171 -8.455 -20.753 1.00 0.00 N ATOM 0 H ARG A 26 18.264 -10.141 -15.161 1.00 0.00 H new ATOM 0 HA ARG A 26 18.785 -7.240 -15.406 1.00 0.00 H new ATOM 0 HB2 ARG A 26 17.948 -8.850 -17.359 1.00 0.00 H new ATOM 0 HB3 ARG A 26 16.396 -8.654 -16.570 1.00 0.00 H new ATOM 0 HG2 ARG A 26 16.295 -6.354 -17.028 1.00 0.00 H new ATOM 0 HG3 ARG A 26 18.030 -6.209 -17.227 1.00 0.00 H new ATOM 0 HD2 ARG A 26 17.107 -6.077 -19.425 1.00 0.00 H new ATOM 0 HD3 ARG A 26 17.830 -7.668 -19.302 1.00 0.00 H new ATOM 0 HE ARG A 26 15.103 -7.902 -18.514 1.00 0.00 H new ATOM 0 HH11 ARG A 26 17.055 -7.160 -21.359 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.848 -7.778 -22.492 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.558 -8.695 -19.974 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.876 -8.644 -21.711 1.00 0.00 H new ATOM 458 N VAL A 27 17.267 -6.670 -13.548 1.00 0.00 N ATOM 459 CA VAL A 27 16.364 -6.270 -12.475 1.00 0.00 C ATOM 460 C VAL A 27 15.812 -4.870 -12.715 1.00 0.00 C ATOM 461 O VAL A 27 16.552 -3.951 -13.066 1.00 0.00 O ATOM 462 CB VAL A 27 17.069 -6.305 -11.106 1.00 0.00 C ATOM 463 CG1 VAL A 27 18.324 -5.445 -11.130 1.00 0.00 C ATOM 464 CG2 VAL A 27 16.121 -5.850 -10.007 1.00 0.00 C ATOM 0 H VAL A 27 18.062 -6.046 -13.684 1.00 0.00 H new ATOM 0 HA VAL A 27 15.542 -6.985 -12.470 1.00 0.00 H new ATOM 0 HB VAL A 27 17.366 -7.332 -10.895 1.00 0.00 H new ATOM 0 HG11 VAL A 27 18.809 -5.482 -10.155 1.00 0.00 H new ATOM 0 HG12 VAL A 27 19.009 -5.822 -11.890 1.00 0.00 H new ATOM 0 HG13 VAL A 27 18.055 -4.415 -11.363 1.00 0.00 H new ATOM 0 HG21 VAL A 27 16.636 -5.881 -9.047 1.00 0.00 H new ATOM 0 HG22 VAL A 27 15.792 -4.831 -10.209 1.00 0.00 H new ATOM 0 HG23 VAL A 27 15.255 -6.512 -9.976 1.00 0.00 H new ATOM 474 N SER A 28 14.506 -4.714 -12.522 1.00 0.00 N ATOM 475 CA SER A 28 13.852 -3.426 -12.720 1.00 0.00 C ATOM 476 C SER A 28 13.253 -2.914 -11.413 1.00 0.00 C ATOM 477 O SER A 28 12.618 -3.664 -10.673 1.00 0.00 O ATOM 478 CB SER A 28 12.760 -3.542 -13.784 1.00 0.00 C ATOM 479 OG SER A 28 12.323 -4.884 -13.922 1.00 0.00 O ATOM 0 H SER A 28 13.880 -5.464 -12.229 1.00 0.00 H new ATOM 0 HA SER A 28 14.604 -2.713 -13.059 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.916 -2.907 -13.514 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.139 -3.179 -14.740 1.00 0.00 H new ATOM 0 HG SER A 28 11.624 -4.932 -14.607 1.00 0.00 H new ATOM 485 N GLY A 29 13.459 -1.630 -11.137 1.00 0.00 N ATOM 486 CA GLY A 29 12.934 -1.039 -9.921 1.00 0.00 C ATOM 487 C GLY A 29 14.029 -0.566 -8.985 1.00 0.00 C ATOM 488 O GLY A 29 13.877 -0.614 -7.764 1.00 0.00 O ATOM 0 H GLY A 29 13.980 -0.989 -11.734 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.292 -0.197 -10.178 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.311 -1.770 -9.406 1.00 0.00 H new ATOM 492 N LEU A 30 15.137 -0.109 -9.558 1.00 0.00 N ATOM 493 CA LEU A 30 16.264 0.373 -8.767 1.00 0.00 C ATOM 494 C LEU A 30 16.611 1.812 -9.135 1.00 0.00 C ATOM 495 O LEU A 30 16.134 2.339 -10.139 1.00 0.00 O ATOM 496 CB LEU A 30 17.483 -0.527 -8.979 1.00 0.00 C ATOM 497 CG LEU A 30 17.745 -0.976 -10.417 1.00 0.00 C ATOM 498 CD1 LEU A 30 16.757 -2.057 -10.826 1.00 0.00 C ATOM 499 CD2 LEU A 30 17.666 0.209 -11.368 1.00 0.00 C ATOM 0 H LEU A 30 15.279 -0.062 -10.567 1.00 0.00 H new ATOM 0 HA LEU A 30 15.977 0.345 -7.716 1.00 0.00 H new ATOM 0 HB2 LEU A 30 18.366 0.000 -8.618 1.00 0.00 H new ATOM 0 HB3 LEU A 30 17.366 -1.415 -8.358 1.00 0.00 H new ATOM 0 HG LEU A 30 18.751 -1.393 -10.470 1.00 0.00 H new ATOM 0 HD11 LEU A 30 16.958 -2.365 -11.852 1.00 0.00 H new ATOM 0 HD12 LEU A 30 16.862 -2.916 -10.163 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.742 -1.667 -10.757 1.00 0.00 H new ATOM 0 HD21 LEU A 30 17.855 -0.129 -12.387 1.00 0.00 H new ATOM 0 HD22 LEU A 30 16.673 0.655 -11.312 1.00 0.00 H new ATOM 0 HD23 LEU A 30 18.413 0.951 -11.087 1.00 0.00 H new ATOM 511 N ASP A 31 17.446 2.441 -8.315 1.00 0.00 N ATOM 512 CA ASP A 31 17.860 3.819 -8.555 1.00 0.00 C ATOM 513 C ASP A 31 19.381 3.933 -8.577 1.00 0.00 C ATOM 514 O ASP A 31 20.089 2.986 -8.237 1.00 0.00 O ATOM 515 CB ASP A 31 17.282 4.742 -7.481 1.00 0.00 C ATOM 516 CG ASP A 31 15.859 5.165 -7.786 1.00 0.00 C ATOM 517 OD1 ASP A 31 15.036 4.286 -8.116 1.00 0.00 O ATOM 518 OD2 ASP A 31 15.567 6.377 -7.696 1.00 0.00 O ATOM 0 H ASP A 31 17.849 2.019 -7.479 1.00 0.00 H new ATOM 0 HA ASP A 31 17.477 4.124 -9.529 1.00 0.00 H new ATOM 0 HB2 ASP A 31 17.308 4.234 -6.517 1.00 0.00 H new ATOM 0 HB3 ASP A 31 17.910 5.628 -7.391 1.00 0.00 H new ATOM 523 N GLU A 32 19.876 5.099 -8.981 1.00 0.00 N ATOM 524 CA GLU A 32 21.313 5.336 -9.050 1.00 0.00 C ATOM 525 C GLU A 32 21.939 5.287 -7.659 1.00 0.00 C ATOM 526 O GLU A 32 23.024 4.736 -7.474 1.00 0.00 O ATOM 527 CB GLU A 32 21.599 6.689 -9.703 1.00 0.00 C ATOM 528 CG GLU A 32 20.850 6.907 -11.007 1.00 0.00 C ATOM 529 CD GLU A 32 19.676 7.854 -10.854 1.00 0.00 C ATOM 530 OE1 GLU A 32 19.910 9.072 -10.714 1.00 0.00 O ATOM 531 OE2 GLU A 32 18.522 7.376 -10.875 1.00 0.00 O ATOM 0 H GLU A 32 19.303 5.894 -9.265 1.00 0.00 H new ATOM 0 HA GLU A 32 21.757 4.547 -9.658 1.00 0.00 H new ATOM 0 HB2 GLU A 32 21.334 7.483 -9.005 1.00 0.00 H new ATOM 0 HB3 GLU A 32 22.669 6.773 -9.890 1.00 0.00 H new ATOM 0 HG2 GLU A 32 21.537 7.304 -11.754 1.00 0.00 H new ATOM 0 HG3 GLU A 32 20.492 5.948 -11.381 1.00 0.00 H new ATOM 538 N GLU A 33 21.247 5.870 -6.684 1.00 0.00 N ATOM 539 CA GLU A 33 21.736 5.894 -5.310 1.00 0.00 C ATOM 540 C GLU A 33 21.551 4.534 -4.643 1.00 0.00 C ATOM 541 O GLU A 33 22.334 4.145 -3.775 1.00 0.00 O ATOM 542 CB GLU A 33 21.008 6.973 -4.506 1.00 0.00 C ATOM 543 CG GLU A 33 21.614 7.223 -3.136 1.00 0.00 C ATOM 544 CD GLU A 33 22.893 8.036 -3.204 1.00 0.00 C ATOM 545 OE1 GLU A 33 22.814 9.239 -3.528 1.00 0.00 O ATOM 546 OE2 GLU A 33 23.972 7.468 -2.933 1.00 0.00 O ATOM 0 H GLU A 33 20.347 6.331 -6.820 1.00 0.00 H new ATOM 0 HA GLU A 33 22.801 6.125 -5.334 1.00 0.00 H new ATOM 0 HB2 GLU A 33 21.016 7.904 -5.073 1.00 0.00 H new ATOM 0 HB3 GLU A 33 19.965 6.682 -4.385 1.00 0.00 H new ATOM 0 HG2 GLU A 33 20.889 7.745 -2.512 1.00 0.00 H new ATOM 0 HG3 GLU A 33 21.820 6.267 -2.654 1.00 0.00 H new ATOM 553 N LEU A 34 20.512 3.817 -5.054 1.00 0.00 N ATOM 554 CA LEU A 34 20.222 2.500 -4.496 1.00 0.00 C ATOM 555 C LEU A 34 21.197 1.456 -5.031 1.00 0.00 C ATOM 556 O LEU A 34 21.618 0.554 -4.306 1.00 0.00 O ATOM 557 CB LEU A 34 18.786 2.089 -4.825 1.00 0.00 C ATOM 558 CG LEU A 34 18.028 1.356 -3.718 1.00 0.00 C ATOM 559 CD1 LEU A 34 16.561 1.758 -3.720 1.00 0.00 C ATOM 560 CD2 LEU A 34 18.171 -0.150 -3.880 1.00 0.00 C ATOM 0 H LEU A 34 19.856 4.125 -5.772 1.00 0.00 H new ATOM 0 HA LEU A 34 20.337 2.558 -3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.225 2.985 -5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.805 1.451 -5.709 1.00 0.00 H new ATOM 0 HG LEU A 34 18.460 1.640 -2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 34 16.037 1.227 -2.926 1.00 0.00 H new ATOM 0 HD12 LEU A 34 16.478 2.832 -3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 34 16.115 1.504 -4.682 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.625 -0.655 -3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 34 17.766 -0.452 -4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.225 -0.423 -3.827 1.00 0.00 H new ATOM 572 N THR A 35 21.555 1.586 -6.305 1.00 0.00 N ATOM 573 CA THR A 35 22.480 0.655 -6.938 1.00 0.00 C ATOM 574 C THR A 35 23.769 0.528 -6.133 1.00 0.00 C ATOM 575 O THR A 35 24.319 -0.563 -5.992 1.00 0.00 O ATOM 576 CB THR A 35 22.826 1.094 -8.373 1.00 0.00 C ATOM 577 OG1 THR A 35 21.640 1.128 -9.174 1.00 0.00 O ATOM 578 CG2 THR A 35 23.840 0.148 -8.999 1.00 0.00 C ATOM 0 H THR A 35 21.218 2.328 -6.919 1.00 0.00 H new ATOM 0 HA THR A 35 21.979 -0.313 -6.973 1.00 0.00 H new ATOM 0 HB THR A 35 23.263 2.092 -8.329 1.00 0.00 H new ATOM 0 HG1 THR A 35 21.044 1.834 -8.846 1.00 0.00 H new ATOM 0 HG21 THR A 35 24.069 0.478 -10.012 1.00 0.00 H new ATOM 0 HG22 THR A 35 24.753 0.147 -8.403 1.00 0.00 H new ATOM 0 HG23 THR A 35 23.426 -0.860 -9.031 1.00 0.00 H new ATOM 586 N GLU A 36 24.245 1.653 -5.606 1.00 0.00 N ATOM 587 CA GLU A 36 25.470 1.666 -4.815 1.00 0.00 C ATOM 588 C GLU A 36 25.334 0.771 -3.586 1.00 0.00 C ATOM 589 O GLU A 36 26.325 0.266 -3.059 1.00 0.00 O ATOM 590 CB GLU A 36 25.809 3.094 -4.384 1.00 0.00 C ATOM 591 CG GLU A 36 26.215 3.997 -5.537 1.00 0.00 C ATOM 592 CD GLU A 36 27.325 4.960 -5.161 1.00 0.00 C ATOM 593 OE1 GLU A 36 28.414 4.487 -4.774 1.00 0.00 O ATOM 594 OE2 GLU A 36 27.104 6.186 -5.253 1.00 0.00 O ATOM 0 H GLU A 36 23.801 2.565 -5.713 1.00 0.00 H new ATOM 0 HA GLU A 36 26.278 1.280 -5.437 1.00 0.00 H new ATOM 0 HB2 GLU A 36 24.945 3.528 -3.881 1.00 0.00 H new ATOM 0 HB3 GLU A 36 26.619 3.062 -3.656 1.00 0.00 H new ATOM 0 HG2 GLU A 36 26.541 3.383 -6.377 1.00 0.00 H new ATOM 0 HG3 GLU A 36 25.346 4.563 -5.874 1.00 0.00 H new ATOM 601 N LYS A 37 24.099 0.580 -3.135 1.00 0.00 N ATOM 602 CA LYS A 37 23.830 -0.254 -1.970 1.00 0.00 C ATOM 603 C LYS A 37 24.031 -1.730 -2.298 1.00 0.00 C ATOM 604 O LYS A 37 24.783 -2.431 -1.619 1.00 0.00 O ATOM 605 CB LYS A 37 22.403 -0.022 -1.469 1.00 0.00 C ATOM 606 CG LYS A 37 22.023 1.446 -1.373 1.00 0.00 C ATOM 607 CD LYS A 37 22.822 2.160 -0.296 1.00 0.00 C ATOM 608 CE LYS A 37 23.826 3.132 -0.899 1.00 0.00 C ATOM 609 NZ LYS A 37 24.965 3.395 0.023 1.00 0.00 N ATOM 0 H LYS A 37 23.268 0.992 -3.559 1.00 0.00 H new ATOM 0 HA LYS A 37 24.534 0.025 -1.186 1.00 0.00 H new ATOM 0 HB2 LYS A 37 21.706 -0.526 -2.138 1.00 0.00 H new ATOM 0 HB3 LYS A 37 22.292 -0.482 -0.487 1.00 0.00 H new ATOM 0 HG2 LYS A 37 22.193 1.930 -2.335 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.958 1.534 -1.156 1.00 0.00 H new ATOM 0 HD2 LYS A 37 22.143 2.699 0.365 1.00 0.00 H new ATOM 0 HD3 LYS A 37 23.347 1.426 0.316 1.00 0.00 H new ATOM 0 HE2 LYS A 37 24.204 2.727 -1.838 1.00 0.00 H new ATOM 0 HE3 LYS A 37 23.326 4.071 -1.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 25.627 4.061 -0.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 24.607 3.805 0.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 25.458 2.503 0.229 1.00 0.00 H new ATOM 623 N LEU A 38 23.356 -2.196 -3.343 1.00 0.00 N ATOM 624 CA LEU A 38 23.462 -3.589 -3.763 1.00 0.00 C ATOM 625 C LEU A 38 24.871 -3.904 -4.254 1.00 0.00 C ATOM 626 O LEU A 38 25.479 -4.889 -3.836 1.00 0.00 O ATOM 627 CB LEU A 38 22.446 -3.888 -4.867 1.00 0.00 C ATOM 628 CG LEU A 38 21.016 -3.411 -4.609 1.00 0.00 C ATOM 629 CD1 LEU A 38 20.706 -3.431 -3.121 1.00 0.00 C ATOM 630 CD2 LEU A 38 20.807 -2.017 -5.181 1.00 0.00 C ATOM 0 H LEU A 38 22.729 -1.630 -3.915 1.00 0.00 H new ATOM 0 HA LEU A 38 23.248 -4.220 -2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 38 22.799 -3.431 -5.792 1.00 0.00 H new ATOM 0 HB3 LEU A 38 22.424 -4.965 -5.032 1.00 0.00 H new ATOM 0 HG LEU A 38 20.330 -4.094 -5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 38 19.684 -3.088 -2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 38 20.813 -4.447 -2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 38 21.398 -2.772 -2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 38 19.784 -1.694 -4.988 1.00 0.00 H new ATOM 0 HD22 LEU A 38 21.502 -1.322 -4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 38 20.985 -2.034 -6.256 1.00 0.00 H new ATOM 642 N ILE A 39 25.385 -3.060 -5.143 1.00 0.00 N ATOM 643 CA ILE A 39 26.723 -3.247 -5.689 1.00 0.00 C ATOM 644 C ILE A 39 27.756 -3.387 -4.575 1.00 0.00 C ATOM 645 O ILE A 39 28.790 -4.029 -4.753 1.00 0.00 O ATOM 646 CB ILE A 39 27.127 -2.076 -6.604 1.00 0.00 C ATOM 647 CG1 ILE A 39 28.265 -2.497 -7.536 1.00 0.00 C ATOM 648 CG2 ILE A 39 27.536 -0.870 -5.771 1.00 0.00 C ATOM 649 CD1 ILE A 39 28.819 -1.360 -8.366 1.00 0.00 C ATOM 0 H ILE A 39 24.895 -2.240 -5.500 1.00 0.00 H new ATOM 0 HA ILE A 39 26.699 -4.164 -6.277 1.00 0.00 H new ATOM 0 HB ILE A 39 26.268 -1.798 -7.214 1.00 0.00 H new ATOM 0 HG12 ILE A 39 29.070 -2.928 -6.941 1.00 0.00 H new ATOM 0 HG13 ILE A 39 27.906 -3.281 -8.203 1.00 0.00 H new ATOM 0 HG21 ILE A 39 27.819 -0.050 -6.432 1.00 0.00 H new ATOM 0 HG22 ILE A 39 26.699 -0.559 -5.145 1.00 0.00 H new ATOM 0 HG23 ILE A 39 28.383 -1.135 -5.139 1.00 0.00 H new ATOM 0 HD11 ILE A 39 29.622 -1.732 -9.003 1.00 0.00 H new ATOM 0 HD12 ILE A 39 28.026 -0.943 -8.988 1.00 0.00 H new ATOM 0 HD13 ILE A 39 29.208 -0.584 -7.707 1.00 0.00 H new ATOM 661 N GLU A 40 27.466 -2.783 -3.427 1.00 0.00 N ATOM 662 CA GLU A 40 28.370 -2.841 -2.284 1.00 0.00 C ATOM 663 C GLU A 40 28.260 -4.186 -1.572 1.00 0.00 C ATOM 664 O GLU A 40 29.261 -4.751 -1.131 1.00 0.00 O ATOM 665 CB GLU A 40 28.064 -1.706 -1.305 1.00 0.00 C ATOM 666 CG GLU A 40 28.778 -0.407 -1.636 1.00 0.00 C ATOM 667 CD GLU A 40 28.361 0.735 -0.730 1.00 0.00 C ATOM 668 OE1 GLU A 40 28.434 0.570 0.506 1.00 0.00 O ATOM 669 OE2 GLU A 40 27.963 1.795 -1.257 1.00 0.00 O ATOM 0 H GLU A 40 26.613 -2.248 -3.264 1.00 0.00 H new ATOM 0 HA GLU A 40 29.389 -2.727 -2.653 1.00 0.00 H new ATOM 0 HB2 GLU A 40 26.989 -1.527 -1.294 1.00 0.00 H new ATOM 0 HB3 GLU A 40 28.345 -2.019 -0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 40 29.854 -0.557 -1.553 1.00 0.00 H new ATOM 0 HG3 GLU A 40 28.573 -0.138 -2.672 1.00 0.00 H new ATOM 676 N ARG A 41 27.036 -4.693 -1.463 1.00 0.00 N ATOM 677 CA ARG A 41 26.794 -5.970 -0.803 1.00 0.00 C ATOM 678 C ARG A 41 27.238 -7.132 -1.687 1.00 0.00 C ATOM 679 O ARG A 41 27.874 -8.076 -1.218 1.00 0.00 O ATOM 680 CB ARG A 41 25.311 -6.116 -0.456 1.00 0.00 C ATOM 681 CG ARG A 41 24.785 -5.013 0.447 1.00 0.00 C ATOM 682 CD ARG A 41 25.418 -5.076 1.829 1.00 0.00 C ATOM 683 NE ARG A 41 24.861 -4.072 2.732 1.00 0.00 N ATOM 684 CZ ARG A 41 25.428 -3.722 3.881 1.00 0.00 C ATOM 685 NH1 ARG A 41 26.562 -4.291 4.265 1.00 0.00 N ATOM 686 NH2 ARG A 41 24.860 -2.800 4.648 1.00 0.00 N ATOM 0 H ARG A 41 26.197 -4.239 -1.823 1.00 0.00 H new ATOM 0 HA ARG A 41 27.379 -5.992 0.116 1.00 0.00 H new ATOM 0 HB2 ARG A 41 24.730 -6.127 -1.378 1.00 0.00 H new ATOM 0 HB3 ARG A 41 25.154 -7.078 0.031 1.00 0.00 H new ATOM 0 HG2 ARG A 41 24.990 -4.042 -0.005 1.00 0.00 H new ATOM 0 HG3 ARG A 41 23.702 -5.100 0.537 1.00 0.00 H new ATOM 0 HD2 ARG A 41 25.266 -6.069 2.253 1.00 0.00 H new ATOM 0 HD3 ARG A 41 26.494 -4.928 1.742 1.00 0.00 H new ATOM 0 HE ARG A 41 23.989 -3.615 2.466 1.00 0.00 H new ATOM 0 HH11 ARG A 41 27.002 -5.000 3.678 1.00 0.00 H new ATOM 0 HH12 ARG A 41 26.995 -4.020 5.148 1.00 0.00 H new ATOM 0 HH21 ARG A 41 23.988 -2.360 4.355 1.00 0.00 H new ATOM 0 HH22 ARG A 41 25.296 -2.532 5.530 1.00 0.00 H new ATOM 700 N LEU A 42 26.897 -7.056 -2.969 1.00 0.00 N ATOM 701 CA LEU A 42 27.260 -8.101 -3.920 1.00 0.00 C ATOM 702 C LEU A 42 28.701 -7.934 -4.390 1.00 0.00 C ATOM 703 O LEU A 42 29.379 -8.912 -4.707 1.00 0.00 O ATOM 704 CB LEU A 42 26.314 -8.075 -5.122 1.00 0.00 C ATOM 705 CG LEU A 42 24.891 -8.573 -4.867 1.00 0.00 C ATOM 706 CD1 LEU A 42 24.058 -8.481 -6.136 1.00 0.00 C ATOM 707 CD2 LEU A 42 24.911 -10.001 -4.343 1.00 0.00 C ATOM 0 H LEU A 42 26.370 -6.282 -3.374 1.00 0.00 H new ATOM 0 HA LEU A 42 27.171 -9.063 -3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 42 26.258 -7.052 -5.493 1.00 0.00 H new ATOM 0 HB3 LEU A 42 26.752 -8.679 -5.917 1.00 0.00 H new ATOM 0 HG LEU A 42 24.434 -7.936 -4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 42 23.048 -8.840 -5.935 1.00 0.00 H new ATOM 0 HD12 LEU A 42 24.015 -7.444 -6.469 1.00 0.00 H new ATOM 0 HD13 LEU A 42 24.512 -9.093 -6.915 1.00 0.00 H new ATOM 0 HD21 LEU A 42 23.890 -10.338 -4.167 1.00 0.00 H new ATOM 0 HD22 LEU A 42 25.387 -10.651 -5.077 1.00 0.00 H new ATOM 0 HD23 LEU A 42 25.471 -10.038 -3.409 1.00 0.00 H new ATOM 719 N ASP A 43 29.165 -6.690 -4.430 1.00 0.00 N ATOM 720 CA ASP A 43 30.527 -6.394 -4.857 1.00 0.00 C ATOM 721 C ASP A 43 30.760 -6.859 -6.291 1.00 0.00 C ATOM 722 O ASP A 43 31.758 -7.514 -6.587 1.00 0.00 O ATOM 723 CB ASP A 43 31.534 -7.065 -3.921 1.00 0.00 C ATOM 724 CG ASP A 43 31.393 -6.596 -2.486 1.00 0.00 C ATOM 725 OD1 ASP A 43 31.521 -5.377 -2.246 1.00 0.00 O ATOM 726 OD2 ASP A 43 31.154 -7.447 -1.604 1.00 0.00 O ATOM 0 H ASP A 43 28.617 -5.869 -4.172 1.00 0.00 H new ATOM 0 HA ASP A 43 30.668 -5.314 -4.817 1.00 0.00 H new ATOM 0 HB2 ASP A 43 31.399 -8.146 -3.962 1.00 0.00 H new ATOM 0 HB3 ASP A 43 32.545 -6.857 -4.271 1.00 0.00 H new ATOM 731 N GLU A 44 29.830 -6.515 -7.177 1.00 0.00 N ATOM 732 CA GLU A 44 29.933 -6.899 -8.580 1.00 0.00 C ATOM 733 C GLU A 44 29.778 -5.684 -9.490 1.00 0.00 C ATOM 734 O GLU A 44 29.656 -4.553 -9.018 1.00 0.00 O ATOM 735 CB GLU A 44 28.873 -7.947 -8.925 1.00 0.00 C ATOM 736 CG GLU A 44 27.530 -7.696 -8.259 1.00 0.00 C ATOM 737 CD GLU A 44 26.810 -6.491 -8.833 1.00 0.00 C ATOM 738 OE1 GLU A 44 27.033 -6.179 -10.022 1.00 0.00 O ATOM 739 OE2 GLU A 44 26.025 -5.861 -8.095 1.00 0.00 O ATOM 0 H GLU A 44 28.998 -5.972 -6.948 1.00 0.00 H new ATOM 0 HA GLU A 44 30.922 -7.327 -8.740 1.00 0.00 H new ATOM 0 HB2 GLU A 44 28.735 -7.969 -10.006 1.00 0.00 H new ATOM 0 HB3 GLU A 44 29.237 -8.931 -8.630 1.00 0.00 H new ATOM 0 HG2 GLU A 44 26.901 -8.579 -8.374 1.00 0.00 H new ATOM 0 HG3 GLU A 44 27.681 -7.549 -7.190 1.00 0.00 H new ATOM 746 N ASP A 45 29.784 -5.925 -10.796 1.00 0.00 N ATOM 747 CA ASP A 45 29.643 -4.852 -11.773 1.00 0.00 C ATOM 748 C ASP A 45 28.172 -4.539 -12.028 1.00 0.00 C ATOM 749 O ASP A 45 27.408 -5.403 -12.459 1.00 0.00 O ATOM 750 CB ASP A 45 30.332 -5.233 -13.084 1.00 0.00 C ATOM 751 CG ASP A 45 31.448 -4.275 -13.452 1.00 0.00 C ATOM 752 OD1 ASP A 45 32.473 -4.256 -12.739 1.00 0.00 O ATOM 753 OD2 ASP A 45 31.296 -3.545 -14.453 1.00 0.00 O ATOM 0 H ASP A 45 29.885 -6.855 -11.203 1.00 0.00 H new ATOM 0 HA ASP A 45 30.120 -3.960 -11.368 1.00 0.00 H new ATOM 0 HB2 ASP A 45 30.736 -6.242 -12.999 1.00 0.00 H new ATOM 0 HB3 ASP A 45 29.594 -5.252 -13.886 1.00 0.00 H new ATOM 758 N THR A 46 27.781 -3.297 -11.759 1.00 0.00 N ATOM 759 CA THR A 46 26.402 -2.870 -11.958 1.00 0.00 C ATOM 760 C THR A 46 26.309 -1.792 -13.031 1.00 0.00 C ATOM 761 O THR A 46 27.235 -1.002 -13.211 1.00 0.00 O ATOM 762 CB THR A 46 25.786 -2.334 -10.652 1.00 0.00 C ATOM 763 OG1 THR A 46 26.564 -1.238 -10.158 1.00 0.00 O ATOM 764 CG2 THR A 46 25.716 -3.428 -9.597 1.00 0.00 C ATOM 0 H THR A 46 28.400 -2.569 -11.403 1.00 0.00 H new ATOM 0 HA THR A 46 25.843 -3.748 -12.281 1.00 0.00 H new ATOM 0 HB THR A 46 24.773 -1.993 -10.867 1.00 0.00 H new ATOM 0 HG1 THR A 46 26.131 -0.393 -10.401 1.00 0.00 H new ATOM 0 HG21 THR A 46 25.278 -3.025 -8.684 1.00 0.00 H new ATOM 0 HG22 THR A 46 25.100 -4.249 -9.964 1.00 0.00 H new ATOM 0 HG23 THR A 46 26.721 -3.795 -9.386 1.00 0.00 H new ATOM 772 N GLU A 47 25.185 -1.764 -13.740 1.00 0.00 N ATOM 773 CA GLU A 47 24.972 -0.781 -14.796 1.00 0.00 C ATOM 774 C GLU A 47 23.486 -0.630 -15.107 1.00 0.00 C ATOM 775 O GLU A 47 22.739 -1.608 -15.111 1.00 0.00 O ATOM 776 CB GLU A 47 25.731 -1.187 -16.061 1.00 0.00 C ATOM 777 CG GLU A 47 27.092 -0.525 -16.193 1.00 0.00 C ATOM 778 CD GLU A 47 27.479 -0.269 -17.637 1.00 0.00 C ATOM 779 OE1 GLU A 47 28.098 -1.163 -18.252 1.00 0.00 O ATOM 780 OE2 GLU A 47 27.163 0.824 -18.152 1.00 0.00 O ATOM 0 H GLU A 47 24.408 -2.410 -13.602 1.00 0.00 H new ATOM 0 HA GLU A 47 25.351 0.179 -14.446 1.00 0.00 H new ATOM 0 HB2 GLU A 47 25.861 -2.269 -16.065 1.00 0.00 H new ATOM 0 HB3 GLU A 47 25.128 -0.935 -16.933 1.00 0.00 H new ATOM 0 HG2 GLU A 47 27.087 0.420 -15.649 1.00 0.00 H new ATOM 0 HG3 GLU A 47 27.846 -1.158 -15.725 1.00 0.00 H new ATOM 787 N ARG A 48 23.065 0.604 -15.367 1.00 0.00 N ATOM 788 CA ARG A 48 21.669 0.885 -15.678 1.00 0.00 C ATOM 789 C ARG A 48 21.427 0.842 -17.184 1.00 0.00 C ATOM 790 O ARG A 48 22.233 1.347 -17.966 1.00 0.00 O ATOM 791 CB ARG A 48 21.266 2.253 -15.125 1.00 0.00 C ATOM 792 CG ARG A 48 21.774 2.514 -13.716 1.00 0.00 C ATOM 793 CD ARG A 48 22.976 3.444 -13.721 1.00 0.00 C ATOM 794 NE ARG A 48 22.587 4.841 -13.894 1.00 0.00 N ATOM 795 CZ ARG A 48 23.455 5.846 -13.931 1.00 0.00 C ATOM 796 NH1 ARG A 48 24.753 5.611 -13.808 1.00 0.00 N ATOM 797 NH2 ARG A 48 23.023 7.091 -14.092 1.00 0.00 N ATOM 0 H ARG A 48 23.671 1.425 -15.368 1.00 0.00 H new ATOM 0 HA ARG A 48 21.057 0.116 -15.207 1.00 0.00 H new ATOM 0 HB2 ARG A 48 21.645 3.030 -15.789 1.00 0.00 H new ATOM 0 HB3 ARG A 48 20.179 2.332 -15.131 1.00 0.00 H new ATOM 0 HG2 ARG A 48 20.976 2.952 -13.116 1.00 0.00 H new ATOM 0 HG3 ARG A 48 22.046 1.569 -13.245 1.00 0.00 H new ATOM 0 HD2 ARG A 48 23.524 3.334 -12.785 1.00 0.00 H new ATOM 0 HD3 ARG A 48 23.655 3.155 -14.523 1.00 0.00 H new ATOM 0 HE ARG A 48 21.595 5.057 -13.992 1.00 0.00 H new ATOM 0 HH11 ARG A 48 25.089 4.656 -13.684 1.00 0.00 H new ATOM 0 HH12 ARG A 48 25.416 6.385 -13.837 1.00 0.00 H new ATOM 0 HH21 ARG A 48 22.024 7.276 -14.187 1.00 0.00 H new ATOM 0 HH22 ARG A 48 23.690 7.862 -14.120 1.00 0.00 H new ATOM 811 N ASP A 49 20.315 0.235 -17.583 1.00 0.00 N ATOM 812 CA ASP A 49 19.967 0.127 -18.995 1.00 0.00 C ATOM 813 C ASP A 49 18.461 -0.035 -19.173 1.00 0.00 C ATOM 814 O ASP A 49 17.875 -1.021 -18.727 1.00 0.00 O ATOM 815 CB ASP A 49 20.698 -1.056 -19.633 1.00 0.00 C ATOM 816 CG ASP A 49 20.832 -0.912 -21.136 1.00 0.00 C ATOM 817 OD1 ASP A 49 19.861 -1.236 -21.851 1.00 0.00 O ATOM 818 OD2 ASP A 49 21.907 -0.476 -21.597 1.00 0.00 O ATOM 0 H ASP A 49 19.639 -0.190 -16.948 1.00 0.00 H new ATOM 0 HA ASP A 49 20.277 1.047 -19.491 1.00 0.00 H new ATOM 0 HB2 ASP A 49 21.690 -1.148 -19.190 1.00 0.00 H new ATOM 0 HB3 ASP A 49 20.161 -1.977 -19.406 1.00 0.00 H new ATOM 823 N ASP A 50 17.840 0.941 -19.826 1.00 0.00 N ATOM 824 CA ASP A 50 16.401 0.908 -20.063 1.00 0.00 C ATOM 825 C ASP A 50 15.637 0.765 -18.750 1.00 0.00 C ATOM 826 O ASP A 50 14.518 0.255 -18.723 1.00 0.00 O ATOM 827 CB ASP A 50 16.044 -0.244 -21.003 1.00 0.00 C ATOM 828 CG ASP A 50 16.414 0.048 -22.444 1.00 0.00 C ATOM 829 OD1 ASP A 50 17.532 0.552 -22.679 1.00 0.00 O ATOM 830 OD2 ASP A 50 15.586 -0.228 -23.336 1.00 0.00 O ATOM 0 H ASP A 50 18.310 1.765 -20.201 1.00 0.00 H new ATOM 0 HA ASP A 50 16.113 1.850 -20.529 1.00 0.00 H new ATOM 0 HB2 ASP A 50 16.557 -1.148 -20.676 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.974 -0.443 -20.939 1.00 0.00 H new ATOM 835 N GLY A 51 16.251 1.219 -17.661 1.00 0.00 N ATOM 836 CA GLY A 51 15.615 1.131 -16.360 1.00 0.00 C ATOM 837 C GLY A 51 16.013 -0.121 -15.603 1.00 0.00 C ATOM 838 O GLY A 51 15.852 -0.196 -14.385 1.00 0.00 O ATOM 0 H GLY A 51 17.177 1.646 -17.657 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.880 2.008 -15.770 1.00 0.00 H new ATOM 0 HA3 GLY A 51 14.532 1.147 -16.486 1.00 0.00 H new ATOM 842 N ASP A 52 16.534 -1.107 -16.326 1.00 0.00 N ATOM 843 CA ASP A 52 16.955 -2.362 -15.715 1.00 0.00 C ATOM 844 C ASP A 52 18.391 -2.264 -15.207 1.00 0.00 C ATOM 845 O ASP A 52 19.098 -1.298 -15.497 1.00 0.00 O ATOM 846 CB ASP A 52 16.834 -3.509 -16.720 1.00 0.00 C ATOM 847 CG ASP A 52 15.539 -3.455 -17.506 1.00 0.00 C ATOM 848 OD1 ASP A 52 14.466 -3.341 -16.877 1.00 0.00 O ATOM 849 OD2 ASP A 52 15.599 -3.525 -18.751 1.00 0.00 O ATOM 0 H ASP A 52 16.675 -1.061 -17.335 1.00 0.00 H new ATOM 0 HA ASP A 52 16.301 -2.562 -14.866 1.00 0.00 H new ATOM 0 HB2 ASP A 52 17.677 -3.474 -17.411 1.00 0.00 H new ATOM 0 HB3 ASP A 52 16.895 -4.460 -16.191 1.00 0.00 H new ATOM 854 N LEU A 53 18.814 -3.268 -14.447 1.00 0.00 N ATOM 855 CA LEU A 53 20.164 -3.295 -13.897 1.00 0.00 C ATOM 856 C LEU A 53 20.857 -4.615 -14.219 1.00 0.00 C ATOM 857 O LEU A 53 20.272 -5.688 -14.065 1.00 0.00 O ATOM 858 CB LEU A 53 20.124 -3.082 -12.383 1.00 0.00 C ATOM 859 CG LEU A 53 21.000 -1.952 -11.840 1.00 0.00 C ATOM 860 CD1 LEU A 53 22.473 -2.293 -12.001 1.00 0.00 C ATOM 861 CD2 LEU A 53 20.674 -0.642 -12.542 1.00 0.00 C ATOM 0 H LEU A 53 18.241 -4.074 -14.198 1.00 0.00 H new ATOM 0 HA LEU A 53 20.733 -2.486 -14.356 1.00 0.00 H new ATOM 0 HB2 LEU A 53 19.092 -2.887 -12.091 1.00 0.00 H new ATOM 0 HB3 LEU A 53 20.422 -4.011 -11.898 1.00 0.00 H new ATOM 0 HG LEU A 53 20.790 -1.834 -10.777 1.00 0.00 H new ATOM 0 HD11 LEU A 53 23.080 -1.477 -11.609 1.00 0.00 H new ATOM 0 HD12 LEU A 53 22.697 -3.208 -11.452 1.00 0.00 H new ATOM 0 HD13 LEU A 53 22.699 -2.439 -13.057 1.00 0.00 H new ATOM 0 HD21 LEU A 53 21.306 0.151 -12.144 1.00 0.00 H new ATOM 0 HD22 LEU A 53 20.855 -0.748 -13.612 1.00 0.00 H new ATOM 0 HD23 LEU A 53 19.627 -0.390 -12.374 1.00 0.00 H new ATOM 873 N ILE A 54 22.106 -4.529 -14.663 1.00 0.00 N ATOM 874 CA ILE A 54 22.879 -5.718 -15.003 1.00 0.00 C ATOM 875 C ILE A 54 23.805 -6.116 -13.859 1.00 0.00 C ATOM 876 O ILE A 54 24.503 -5.276 -13.291 1.00 0.00 O ATOM 877 CB ILE A 54 23.718 -5.499 -16.276 1.00 0.00 C ATOM 878 CG1 ILE A 54 22.911 -4.721 -17.317 1.00 0.00 C ATOM 879 CG2 ILE A 54 24.178 -6.833 -16.843 1.00 0.00 C ATOM 880 CD1 ILE A 54 21.586 -5.364 -17.658 1.00 0.00 C ATOM 0 H ILE A 54 22.605 -3.649 -14.796 1.00 0.00 H new ATOM 0 HA ILE A 54 22.163 -6.520 -15.184 1.00 0.00 H new ATOM 0 HB ILE A 54 24.600 -4.914 -16.016 1.00 0.00 H new ATOM 0 HG12 ILE A 54 22.731 -3.712 -16.946 1.00 0.00 H new ATOM 0 HG13 ILE A 54 23.504 -4.625 -18.227 1.00 0.00 H new ATOM 0 HG21 ILE A 54 24.770 -6.662 -17.742 1.00 0.00 H new ATOM 0 HG22 ILE A 54 24.786 -7.353 -16.102 1.00 0.00 H new ATOM 0 HG23 ILE A 54 23.309 -7.442 -17.091 1.00 0.00 H new ATOM 0 HD11 ILE A 54 21.068 -4.758 -18.402 1.00 0.00 H new ATOM 0 HD12 ILE A 54 21.759 -6.362 -18.060 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.974 -5.436 -16.759 1.00 0.00 H new ATOM 892 N ILE A 55 23.808 -7.403 -13.528 1.00 0.00 N ATOM 893 CA ILE A 55 24.651 -7.914 -12.454 1.00 0.00 C ATOM 894 C ILE A 55 25.354 -9.201 -12.872 1.00 0.00 C ATOM 895 O ILE A 55 24.708 -10.208 -13.164 1.00 0.00 O ATOM 896 CB ILE A 55 23.835 -8.179 -11.176 1.00 0.00 C ATOM 897 CG1 ILE A 55 22.946 -6.976 -10.853 1.00 0.00 C ATOM 898 CG2 ILE A 55 24.762 -8.487 -10.010 1.00 0.00 C ATOM 899 CD1 ILE A 55 22.098 -7.166 -9.615 1.00 0.00 C ATOM 0 H ILE A 55 23.236 -8.111 -13.988 1.00 0.00 H new ATOM 0 HA ILE A 55 25.397 -7.147 -12.246 1.00 0.00 H new ATOM 0 HB ILE A 55 23.195 -9.045 -11.345 1.00 0.00 H new ATOM 0 HG12 ILE A 55 23.574 -6.095 -10.721 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.294 -6.778 -11.703 1.00 0.00 H new ATOM 0 HG21 ILE A 55 24.170 -8.672 -9.114 1.00 0.00 H new ATOM 0 HG22 ILE A 55 25.356 -9.371 -10.241 1.00 0.00 H new ATOM 0 HG23 ILE A 55 25.425 -7.639 -9.838 1.00 0.00 H new ATOM 0 HD11 ILE A 55 21.494 -6.274 -9.447 1.00 0.00 H new ATOM 0 HD12 ILE A 55 21.444 -8.027 -9.751 1.00 0.00 H new ATOM 0 HD13 ILE A 55 22.744 -7.334 -8.753 1.00 0.00 H new ATOM 911 N THR A 56 26.682 -9.163 -12.897 1.00 0.00 N ATOM 912 CA THR A 56 27.474 -10.326 -13.277 1.00 0.00 C ATOM 913 C THR A 56 28.248 -10.878 -12.086 1.00 0.00 C ATOM 914 O THR A 56 29.092 -10.191 -11.509 1.00 0.00 O ATOM 915 CB THR A 56 28.465 -9.986 -14.406 1.00 0.00 C ATOM 916 OG1 THR A 56 27.826 -9.159 -15.386 1.00 0.00 O ATOM 917 CG2 THR A 56 28.987 -11.253 -15.067 1.00 0.00 C ATOM 0 H THR A 56 27.233 -8.338 -12.658 1.00 0.00 H new ATOM 0 HA THR A 56 26.774 -11.082 -13.633 1.00 0.00 H new ATOM 0 HB THR A 56 29.307 -9.448 -13.971 1.00 0.00 H new ATOM 0 HG1 THR A 56 28.507 -8.689 -15.912 1.00 0.00 H new ATOM 0 HG21 THR A 56 29.685 -10.988 -15.861 1.00 0.00 H new ATOM 0 HG22 THR A 56 29.498 -11.867 -14.325 1.00 0.00 H new ATOM 0 HG23 THR A 56 28.153 -11.813 -15.489 1.00 0.00 H new ATOM 925 N VAL A 57 27.956 -12.122 -11.721 1.00 0.00 N ATOM 926 CA VAL A 57 28.627 -12.767 -10.599 1.00 0.00 C ATOM 927 C VAL A 57 29.144 -14.148 -10.987 1.00 0.00 C ATOM 928 O VAL A 57 28.366 -15.048 -11.301 1.00 0.00 O ATOM 929 CB VAL A 57 27.687 -12.906 -9.387 1.00 0.00 C ATOM 930 CG1 VAL A 57 27.546 -11.574 -8.665 1.00 0.00 C ATOM 931 CG2 VAL A 57 26.328 -13.430 -9.825 1.00 0.00 C ATOM 0 H VAL A 57 27.259 -12.703 -12.186 1.00 0.00 H new ATOM 0 HA VAL A 57 29.469 -12.130 -10.326 1.00 0.00 H new ATOM 0 HB VAL A 57 28.122 -13.625 -8.692 1.00 0.00 H new ATOM 0 HG11 VAL A 57 26.878 -11.692 -7.812 1.00 0.00 H new ATOM 0 HG12 VAL A 57 28.525 -11.243 -8.317 1.00 0.00 H new ATOM 0 HG13 VAL A 57 27.134 -10.832 -9.348 1.00 0.00 H new ATOM 0 HG21 VAL A 57 25.676 -13.522 -8.956 1.00 0.00 H new ATOM 0 HG22 VAL A 57 25.884 -12.737 -10.540 1.00 0.00 H new ATOM 0 HG23 VAL A 57 26.448 -14.407 -10.293 1.00 0.00 H new ATOM 941 N PHE A 58 30.463 -14.308 -10.964 1.00 0.00 N ATOM 942 CA PHE A 58 31.085 -15.579 -11.314 1.00 0.00 C ATOM 943 C PHE A 58 31.906 -16.123 -10.148 1.00 0.00 C ATOM 944 O PHE A 58 32.506 -15.362 -9.388 1.00 0.00 O ATOM 945 CB PHE A 58 31.978 -15.413 -12.546 1.00 0.00 C ATOM 946 CG PHE A 58 32.871 -14.207 -12.480 1.00 0.00 C ATOM 947 CD1 PHE A 58 33.973 -14.190 -11.639 1.00 0.00 C ATOM 948 CD2 PHE A 58 32.611 -13.092 -13.259 1.00 0.00 C ATOM 949 CE1 PHE A 58 34.796 -13.082 -11.576 1.00 0.00 C ATOM 950 CE2 PHE A 58 33.431 -11.981 -13.200 1.00 0.00 C ATOM 951 CZ PHE A 58 34.526 -11.977 -12.358 1.00 0.00 C ATOM 0 H PHE A 58 31.122 -13.573 -10.707 1.00 0.00 H new ATOM 0 HA PHE A 58 30.292 -16.291 -11.541 1.00 0.00 H new ATOM 0 HB2 PHE A 58 32.593 -16.305 -12.662 1.00 0.00 H new ATOM 0 HB3 PHE A 58 31.349 -15.342 -13.434 1.00 0.00 H new ATOM 0 HD1 PHE A 58 34.191 -15.052 -11.026 1.00 0.00 H new ATOM 0 HD2 PHE A 58 31.757 -13.091 -13.921 1.00 0.00 H new ATOM 0 HE1 PHE A 58 35.650 -13.080 -10.915 1.00 0.00 H new ATOM 0 HE2 PHE A 58 33.216 -11.117 -13.811 1.00 0.00 H new ATOM 0 HZ PHE A 58 35.170 -11.111 -12.312 1.00 0.00 H new ATOM 961 N TYR A 59 31.927 -17.444 -10.012 1.00 0.00 N ATOM 962 CA TYR A 59 32.670 -18.091 -8.937 1.00 0.00 C ATOM 963 C TYR A 59 33.335 -19.373 -9.429 1.00 0.00 C ATOM 964 O TYR A 59 32.726 -20.162 -10.151 1.00 0.00 O ATOM 965 CB TYR A 59 31.742 -18.403 -7.763 1.00 0.00 C ATOM 966 CG TYR A 59 30.801 -17.271 -7.417 1.00 0.00 C ATOM 967 CD1 TYR A 59 29.601 -17.106 -8.099 1.00 0.00 C ATOM 968 CD2 TYR A 59 31.111 -16.367 -6.409 1.00 0.00 C ATOM 969 CE1 TYR A 59 28.739 -16.073 -7.787 1.00 0.00 C ATOM 970 CE2 TYR A 59 30.254 -15.332 -6.089 1.00 0.00 C ATOM 971 CZ TYR A 59 29.069 -15.189 -6.781 1.00 0.00 C ATOM 972 OH TYR A 59 28.212 -14.159 -6.467 1.00 0.00 O ATOM 0 H TYR A 59 31.438 -18.088 -10.633 1.00 0.00 H new ATOM 0 HA TYR A 59 33.448 -17.404 -8.604 1.00 0.00 H new ATOM 0 HB2 TYR A 59 31.157 -19.291 -8.000 1.00 0.00 H new ATOM 0 HB3 TYR A 59 32.345 -18.643 -6.888 1.00 0.00 H new ATOM 0 HD1 TYR A 59 29.338 -17.797 -8.886 1.00 0.00 H new ATOM 0 HD2 TYR A 59 32.038 -16.475 -5.866 1.00 0.00 H new ATOM 0 HE1 TYR A 59 27.811 -15.958 -8.328 1.00 0.00 H new ATOM 0 HE2 TYR A 59 30.510 -14.639 -5.302 1.00 0.00 H new ATOM 0 HH TYR A 59 28.592 -13.629 -5.736 1.00 0.00 H new ATOM 982 N GLU A 60 34.588 -19.572 -9.032 1.00 0.00 N ATOM 983 CA GLU A 60 35.336 -20.758 -9.433 1.00 0.00 C ATOM 984 C GLU A 60 35.233 -21.850 -8.372 1.00 0.00 C ATOM 985 O GLU A 60 34.540 -21.690 -7.367 1.00 0.00 O ATOM 986 CB GLU A 60 36.805 -20.404 -9.675 1.00 0.00 C ATOM 987 CG GLU A 60 37.584 -20.131 -8.399 1.00 0.00 C ATOM 988 CD GLU A 60 38.485 -18.917 -8.514 1.00 0.00 C ATOM 989 OE1 GLU A 60 37.981 -17.838 -8.890 1.00 0.00 O ATOM 990 OE2 GLU A 60 39.694 -19.046 -8.229 1.00 0.00 O ATOM 0 H GLU A 60 35.106 -18.928 -8.434 1.00 0.00 H new ATOM 0 HA GLU A 60 34.903 -21.134 -10.360 1.00 0.00 H new ATOM 0 HB2 GLU A 60 37.283 -21.222 -10.214 1.00 0.00 H new ATOM 0 HB3 GLU A 60 36.857 -19.525 -10.317 1.00 0.00 H new ATOM 0 HG2 GLU A 60 36.885 -19.983 -7.576 1.00 0.00 H new ATOM 0 HG3 GLU A 60 38.187 -21.005 -8.152 1.00 0.00 H new ATOM 997 N ARG A 61 35.927 -22.959 -8.604 1.00 0.00 N ATOM 998 CA ARG A 61 35.913 -24.079 -7.670 1.00 0.00 C ATOM 999 C ARG A 61 36.104 -23.593 -6.236 1.00 0.00 C ATOM 1000 O ARG A 61 35.549 -24.165 -5.299 1.00 0.00 O ATOM 1001 CB ARG A 61 37.008 -25.084 -8.030 1.00 0.00 C ATOM 1002 CG ARG A 61 36.480 -26.360 -8.665 1.00 0.00 C ATOM 1003 CD ARG A 61 35.731 -27.216 -7.656 1.00 0.00 C ATOM 1004 NE ARG A 61 35.500 -28.570 -8.152 1.00 0.00 N ATOM 1005 CZ ARG A 61 35.013 -29.554 -7.403 1.00 0.00 C ATOM 1006 NH1 ARG A 61 34.708 -29.335 -6.131 1.00 0.00 N ATOM 1007 NH2 ARG A 61 34.831 -30.759 -7.926 1.00 0.00 N ATOM 0 H ARG A 61 36.506 -23.106 -9.431 1.00 0.00 H new ATOM 0 HA ARG A 61 34.942 -24.569 -7.743 1.00 0.00 H new ATOM 0 HB2 ARG A 61 37.712 -24.612 -8.715 1.00 0.00 H new ATOM 0 HB3 ARG A 61 37.564 -25.340 -7.129 1.00 0.00 H new ATOM 0 HG2 ARG A 61 35.817 -26.108 -9.493 1.00 0.00 H new ATOM 0 HG3 ARG A 61 37.310 -26.930 -9.083 1.00 0.00 H new ATOM 0 HD2 ARG A 61 36.299 -27.262 -6.727 1.00 0.00 H new ATOM 0 HD3 ARG A 61 34.775 -26.748 -7.422 1.00 0.00 H new ATOM 0 HE ARG A 61 35.725 -28.772 -9.126 1.00 0.00 H new ATOM 0 HH11 ARG A 61 34.847 -28.410 -5.725 1.00 0.00 H new ATOM 0 HH12 ARG A 61 34.334 -30.092 -5.559 1.00 0.00 H new ATOM 0 HH21 ARG A 61 35.065 -30.931 -8.904 1.00 0.00 H new ATOM 0 HH22 ARG A 61 34.457 -31.514 -7.350 1.00 0.00 H new ATOM 1021 N GLU A 62 36.893 -22.535 -6.075 1.00 0.00 N ATOM 1022 CA GLU A 62 37.158 -21.975 -4.755 1.00 0.00 C ATOM 1023 C GLU A 62 35.854 -21.676 -4.020 1.00 0.00 C ATOM 1024 O GLU A 62 35.764 -21.842 -2.803 1.00 0.00 O ATOM 1025 CB GLU A 62 37.991 -20.697 -4.877 1.00 0.00 C ATOM 1026 CG GLU A 62 39.417 -20.943 -5.342 1.00 0.00 C ATOM 1027 CD GLU A 62 40.198 -21.825 -4.387 1.00 0.00 C ATOM 1028 OE1 GLU A 62 40.662 -21.309 -3.348 1.00 0.00 O ATOM 1029 OE2 GLU A 62 40.345 -23.030 -4.678 1.00 0.00 O ATOM 0 H GLU A 62 37.359 -22.049 -6.841 1.00 0.00 H new ATOM 0 HA GLU A 62 37.719 -22.713 -4.181 1.00 0.00 H new ATOM 0 HB2 GLU A 62 37.501 -20.019 -5.576 1.00 0.00 H new ATOM 0 HB3 GLU A 62 38.014 -20.195 -3.910 1.00 0.00 H new ATOM 0 HG2 GLU A 62 39.399 -21.408 -6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 62 39.930 -19.987 -5.450 1.00 0.00 H new ATOM 1036 N TYR A 63 34.848 -21.235 -4.767 1.00 0.00 N ATOM 1037 CA TYR A 63 33.551 -20.910 -4.186 1.00 0.00 C ATOM 1038 C TYR A 63 32.449 -21.767 -4.802 1.00 0.00 C ATOM 1039 O TYR A 63 31.261 -21.494 -4.624 1.00 0.00 O ATOM 1040 CB TYR A 63 33.234 -19.428 -4.391 1.00 0.00 C ATOM 1041 CG TYR A 63 33.517 -18.574 -3.176 1.00 0.00 C ATOM 1042 CD1 TYR A 63 34.822 -18.324 -2.768 1.00 0.00 C ATOM 1043 CD2 TYR A 63 32.482 -18.019 -2.435 1.00 0.00 C ATOM 1044 CE1 TYR A 63 35.086 -17.546 -1.657 1.00 0.00 C ATOM 1045 CE2 TYR A 63 32.736 -17.238 -1.324 1.00 0.00 C ATOM 1046 CZ TYR A 63 34.040 -17.004 -0.940 1.00 0.00 C ATOM 1047 OH TYR A 63 34.298 -16.228 0.167 1.00 0.00 O ATOM 0 H TYR A 63 34.906 -21.094 -5.776 1.00 0.00 H new ATOM 0 HA TYR A 63 33.596 -21.121 -3.117 1.00 0.00 H new ATOM 0 HB2 TYR A 63 33.818 -19.053 -5.232 1.00 0.00 H new ATOM 0 HB3 TYR A 63 32.183 -19.324 -4.661 1.00 0.00 H new ATOM 0 HD1 TYR A 63 35.643 -18.745 -3.329 1.00 0.00 H new ATOM 0 HD2 TYR A 63 31.460 -18.201 -2.733 1.00 0.00 H new ATOM 0 HE1 TYR A 63 36.106 -17.363 -1.352 1.00 0.00 H new ATOM 0 HE2 TYR A 63 31.919 -16.813 -0.760 1.00 0.00 H new ATOM 0 HH TYR A 63 33.452 -15.923 0.557 1.00 0.00 H new ATOM 1057 N PHE A 64 32.851 -22.806 -5.526 1.00 0.00 N ATOM 1058 CA PHE A 64 31.899 -23.705 -6.169 1.00 0.00 C ATOM 1059 C PHE A 64 31.130 -22.983 -7.272 1.00 0.00 C ATOM 1060 O PHE A 64 30.193 -22.227 -7.017 1.00 0.00 O ATOM 1061 CB PHE A 64 30.922 -24.270 -5.136 1.00 0.00 C ATOM 1062 CG PHE A 64 30.519 -25.691 -5.407 1.00 0.00 C ATOM 1063 CD1 PHE A 64 31.473 -26.692 -5.490 1.00 0.00 C ATOM 1064 CD2 PHE A 64 29.186 -26.026 -5.581 1.00 0.00 C ATOM 1065 CE1 PHE A 64 31.106 -28.001 -5.739 1.00 0.00 C ATOM 1066 CE2 PHE A 64 28.812 -27.333 -5.830 1.00 0.00 C ATOM 1067 CZ PHE A 64 29.773 -28.322 -5.910 1.00 0.00 C ATOM 0 H PHE A 64 33.830 -23.047 -5.682 1.00 0.00 H new ATOM 0 HA PHE A 64 32.458 -24.526 -6.618 1.00 0.00 H new ATOM 0 HB2 PHE A 64 31.377 -24.212 -4.147 1.00 0.00 H new ATOM 0 HB3 PHE A 64 30.029 -23.646 -5.113 1.00 0.00 H new ATOM 0 HD1 PHE A 64 32.516 -26.446 -5.359 1.00 0.00 H new ATOM 0 HD2 PHE A 64 28.430 -25.257 -5.521 1.00 0.00 H new ATOM 0 HE1 PHE A 64 31.860 -28.772 -5.800 1.00 0.00 H new ATOM 0 HE2 PHE A 64 27.769 -27.581 -5.962 1.00 0.00 H new ATOM 0 HZ PHE A 64 29.483 -29.344 -6.106 1.00 0.00 H new ATOM 1077 N PRO A 65 31.536 -23.222 -8.528 1.00 0.00 N ATOM 1078 CA PRO A 65 30.899 -22.605 -9.696 1.00 0.00 C ATOM 1079 C PRO A 65 29.495 -23.144 -9.943 1.00 0.00 C ATOM 1080 O PRO A 65 29.207 -24.308 -9.661 1.00 0.00 O ATOM 1081 CB PRO A 65 31.830 -22.987 -10.850 1.00 0.00 C ATOM 1082 CG PRO A 65 32.502 -24.237 -10.396 1.00 0.00 C ATOM 1083 CD PRO A 65 32.647 -24.112 -8.905 1.00 0.00 C ATOM 0 HA PRO A 65 30.772 -21.530 -9.571 1.00 0.00 H new ATOM 0 HB2 PRO A 65 31.272 -23.150 -11.772 1.00 0.00 H new ATOM 0 HB3 PRO A 65 32.555 -22.198 -11.052 1.00 0.00 H new ATOM 0 HG2 PRO A 65 31.911 -25.115 -10.658 1.00 0.00 H new ATOM 0 HG3 PRO A 65 33.475 -24.353 -10.874 1.00 0.00 H new ATOM 0 HD2 PRO A 65 32.571 -25.081 -8.411 1.00 0.00 H new ATOM 0 HD3 PRO A 65 33.613 -23.688 -8.629 1.00 0.00 H new ATOM 1091 N PHE A 66 28.623 -22.292 -10.470 1.00 0.00 N ATOM 1092 CA PHE A 66 27.247 -22.683 -10.755 1.00 0.00 C ATOM 1093 C PHE A 66 27.149 -23.383 -12.107 1.00 0.00 C ATOM 1094 O PHE A 66 27.751 -22.948 -13.088 1.00 0.00 O ATOM 1095 CB PHE A 66 26.331 -21.457 -10.735 1.00 0.00 C ATOM 1096 CG PHE A 66 26.762 -20.371 -11.678 1.00 0.00 C ATOM 1097 CD1 PHE A 66 26.393 -20.408 -13.013 1.00 0.00 C ATOM 1098 CD2 PHE A 66 27.536 -19.313 -11.231 1.00 0.00 C ATOM 1099 CE1 PHE A 66 26.789 -19.411 -13.884 1.00 0.00 C ATOM 1100 CE2 PHE A 66 27.935 -18.312 -12.096 1.00 0.00 C ATOM 1101 CZ PHE A 66 27.560 -18.361 -13.425 1.00 0.00 C ATOM 0 H PHE A 66 28.844 -21.325 -10.709 1.00 0.00 H new ATOM 0 HA PHE A 66 26.926 -23.380 -9.981 1.00 0.00 H new ATOM 0 HB2 PHE A 66 25.317 -21.767 -10.989 1.00 0.00 H new ATOM 0 HB3 PHE A 66 26.297 -21.055 -9.722 1.00 0.00 H new ATOM 0 HD1 PHE A 66 25.789 -21.226 -13.377 1.00 0.00 H new ATOM 0 HD2 PHE A 66 27.831 -19.270 -10.193 1.00 0.00 H new ATOM 0 HE1 PHE A 66 26.496 -19.453 -14.923 1.00 0.00 H new ATOM 0 HE2 PHE A 66 28.539 -17.493 -11.734 1.00 0.00 H new ATOM 0 HZ PHE A 66 27.869 -17.580 -14.104 1.00 0.00 H new ATOM 1111 N GLY A 67 26.386 -24.470 -12.151 1.00 0.00 N ATOM 1112 CA GLY A 67 26.223 -25.214 -13.386 1.00 0.00 C ATOM 1113 C GLY A 67 25.445 -26.500 -13.191 1.00 0.00 C ATOM 1114 O GLY A 67 24.222 -26.478 -13.047 1.00 0.00 O ATOM 0 H GLY A 67 25.877 -24.849 -11.352 1.00 0.00 H new ATOM 0 HA2 GLY A 67 25.709 -24.590 -14.117 1.00 0.00 H new ATOM 0 HA3 GLY A 67 27.205 -25.446 -13.799 1.00 0.00 H new ATOM 1118 N SER A 68 26.153 -27.624 -13.187 1.00 0.00 N ATOM 1119 CA SER A 68 25.520 -28.926 -13.014 1.00 0.00 C ATOM 1120 C SER A 68 24.370 -29.106 -14.000 1.00 0.00 C ATOM 1121 O SER A 68 23.334 -29.679 -13.662 1.00 0.00 O ATOM 1122 CB SER A 68 25.008 -29.081 -11.581 1.00 0.00 C ATOM 1123 OG SER A 68 26.082 -29.109 -10.656 1.00 0.00 O ATOM 0 H SER A 68 27.166 -27.660 -13.302 1.00 0.00 H new ATOM 0 HA SER A 68 26.267 -29.695 -13.210 1.00 0.00 H new ATOM 0 HB2 SER A 68 24.338 -28.256 -11.340 1.00 0.00 H new ATOM 0 HB3 SER A 68 24.427 -29.999 -11.496 1.00 0.00 H new ATOM 0 HG SER A 68 25.729 -29.207 -9.747 1.00 0.00 H new ATOM 1129 N GLU A 69 24.561 -28.613 -15.219 1.00 0.00 N ATOM 1130 CA GLU A 69 23.539 -28.719 -16.254 1.00 0.00 C ATOM 1131 C GLU A 69 23.319 -30.175 -16.655 1.00 0.00 C ATOM 1132 O GLU A 69 22.256 -30.536 -17.158 1.00 0.00 O ATOM 1133 CB GLU A 69 23.936 -27.895 -17.480 1.00 0.00 C ATOM 1134 CG GLU A 69 25.263 -28.314 -18.091 1.00 0.00 C ATOM 1135 CD GLU A 69 25.091 -29.209 -19.302 1.00 0.00 C ATOM 1136 OE1 GLU A 69 24.162 -28.958 -20.098 1.00 0.00 O ATOM 1137 OE2 GLU A 69 25.885 -30.161 -19.455 1.00 0.00 O ATOM 0 H GLU A 69 25.413 -28.137 -15.514 1.00 0.00 H new ATOM 0 HA GLU A 69 22.606 -28.327 -15.849 1.00 0.00 H new ATOM 0 HB2 GLU A 69 23.154 -27.982 -18.235 1.00 0.00 H new ATOM 0 HB3 GLU A 69 23.991 -26.843 -17.198 1.00 0.00 H new ATOM 0 HG2 GLU A 69 25.823 -27.424 -18.378 1.00 0.00 H new ATOM 0 HG3 GLU A 69 25.856 -28.836 -17.340 1.00 0.00 H new ATOM 1144 N GLU A 70 24.332 -31.004 -16.428 1.00 0.00 N ATOM 1145 CA GLU A 70 24.250 -32.420 -16.767 1.00 0.00 C ATOM 1146 C GLU A 70 23.048 -33.073 -16.090 1.00 0.00 C ATOM 1147 O GLU A 70 22.530 -34.085 -16.562 1.00 0.00 O ATOM 1148 CB GLU A 70 25.535 -33.142 -16.355 1.00 0.00 C ATOM 1149 CG GLU A 70 25.673 -34.530 -16.956 1.00 0.00 C ATOM 1150 CD GLU A 70 25.528 -34.530 -18.465 1.00 0.00 C ATOM 1151 OE1 GLU A 70 26.360 -33.890 -19.141 1.00 0.00 O ATOM 1152 OE2 GLU A 70 24.581 -35.170 -18.970 1.00 0.00 O ATOM 0 H GLU A 70 25.219 -30.720 -16.011 1.00 0.00 H new ATOM 0 HA GLU A 70 24.126 -32.502 -17.847 1.00 0.00 H new ATOM 0 HB2 GLU A 70 26.392 -32.539 -16.654 1.00 0.00 H new ATOM 0 HB3 GLU A 70 25.565 -33.221 -15.268 1.00 0.00 H new ATOM 0 HG2 GLU A 70 26.646 -34.942 -16.688 1.00 0.00 H new ATOM 0 HG3 GLU A 70 24.918 -35.186 -16.522 1.00 0.00 H new ATOM 1159 N SER A 71 22.610 -32.486 -14.980 1.00 0.00 N ATOM 1160 CA SER A 71 21.472 -33.012 -14.235 1.00 0.00 C ATOM 1161 C SER A 71 20.180 -32.845 -15.028 1.00 0.00 C ATOM 1162 O SER A 71 19.485 -33.819 -15.319 1.00 0.00 O ATOM 1163 CB SER A 71 21.350 -32.305 -12.884 1.00 0.00 C ATOM 1164 OG SER A 71 20.011 -32.318 -12.421 1.00 0.00 O ATOM 0 H SER A 71 23.026 -31.646 -14.577 1.00 0.00 H new ATOM 0 HA SER A 71 21.639 -34.076 -14.067 1.00 0.00 H new ATOM 0 HB2 SER A 71 21.995 -32.794 -12.154 1.00 0.00 H new ATOM 0 HB3 SER A 71 21.696 -31.276 -12.976 1.00 0.00 H new ATOM 0 HG SER A 71 19.960 -31.861 -11.555 1.00 0.00 H new ATOM 1170 N LYS A 72 19.863 -31.602 -15.375 1.00 0.00 N ATOM 1171 CA LYS A 72 18.655 -31.304 -16.136 1.00 0.00 C ATOM 1172 C LYS A 72 18.803 -31.746 -17.588 1.00 0.00 C ATOM 1173 O LYS A 72 17.812 -31.974 -18.282 1.00 0.00 O ATOM 1174 CB LYS A 72 18.346 -29.806 -16.076 1.00 0.00 C ATOM 1175 CG LYS A 72 16.948 -29.492 -15.575 1.00 0.00 C ATOM 1176 CD LYS A 72 16.473 -28.133 -16.061 1.00 0.00 C ATOM 1177 CE LYS A 72 15.408 -28.267 -17.139 1.00 0.00 C ATOM 1178 NZ LYS A 72 14.108 -27.680 -16.711 1.00 0.00 N ATOM 0 H LYS A 72 20.426 -30.784 -15.141 1.00 0.00 H new ATOM 0 HA LYS A 72 17.829 -31.857 -15.689 1.00 0.00 H new ATOM 0 HB2 LYS A 72 19.073 -29.320 -15.426 1.00 0.00 H new ATOM 0 HB3 LYS A 72 18.471 -29.378 -17.071 1.00 0.00 H new ATOM 0 HG2 LYS A 72 16.257 -30.263 -15.916 1.00 0.00 H new ATOM 0 HG3 LYS A 72 16.938 -29.514 -14.485 1.00 0.00 H new ATOM 0 HD2 LYS A 72 16.073 -27.565 -15.221 1.00 0.00 H new ATOM 0 HD3 LYS A 72 17.320 -27.569 -16.453 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.748 -27.772 -18.049 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.268 -29.320 -17.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.409 -27.791 -17.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.771 -28.169 -15.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.235 -26.669 -16.503 1.00 0.00 H new ATOM 1192 N VAL A 73 20.047 -31.867 -18.041 1.00 0.00 N ATOM 1193 CA VAL A 73 20.325 -32.285 -19.410 1.00 0.00 C ATOM 1194 C VAL A 73 19.855 -31.236 -20.411 1.00 0.00 C ATOM 1195 O VAL A 73 19.228 -31.560 -21.420 1.00 0.00 O ATOM 1196 CB VAL A 73 19.646 -33.629 -19.735 1.00 0.00 C ATOM 1197 CG1 VAL A 73 20.231 -34.229 -21.005 1.00 0.00 C ATOM 1198 CG2 VAL A 73 19.785 -34.593 -18.566 1.00 0.00 C ATOM 0 H VAL A 73 20.878 -31.681 -17.480 1.00 0.00 H new ATOM 0 HA VAL A 73 21.406 -32.403 -19.492 1.00 0.00 H new ATOM 0 HB VAL A 73 18.584 -33.449 -19.903 1.00 0.00 H new ATOM 0 HG11 VAL A 73 19.739 -35.178 -21.219 1.00 0.00 H new ATOM 0 HG12 VAL A 73 20.074 -33.543 -21.837 1.00 0.00 H new ATOM 0 HG13 VAL A 73 21.300 -34.396 -20.870 1.00 0.00 H new ATOM 0 HG21 VAL A 73 19.300 -35.537 -18.813 1.00 0.00 H new ATOM 0 HG22 VAL A 73 20.841 -34.770 -18.364 1.00 0.00 H new ATOM 0 HG23 VAL A 73 19.314 -34.163 -17.682 1.00 0.00 H new ATOM 1208 N LYS A 74 20.162 -29.975 -20.126 1.00 0.00 N ATOM 1209 CA LYS A 74 19.774 -28.875 -21.001 1.00 0.00 C ATOM 1210 C LYS A 74 20.270 -27.541 -20.452 1.00 0.00 C ATOM 1211 O LYS A 74 20.705 -27.455 -19.304 1.00 0.00 O ATOM 1212 CB LYS A 74 18.253 -28.838 -21.163 1.00 0.00 C ATOM 1213 CG LYS A 74 17.785 -29.120 -22.580 1.00 0.00 C ATOM 1214 CD LYS A 74 16.490 -28.391 -22.895 1.00 0.00 C ATOM 1215 CE LYS A 74 15.559 -29.247 -23.739 1.00 0.00 C ATOM 1216 NZ LYS A 74 16.025 -29.349 -25.150 1.00 0.00 N ATOM 0 H LYS A 74 20.679 -29.689 -19.295 1.00 0.00 H new ATOM 0 HA LYS A 74 20.234 -29.040 -21.976 1.00 0.00 H new ATOM 0 HB2 LYS A 74 17.806 -29.570 -20.490 1.00 0.00 H new ATOM 0 HB3 LYS A 74 17.887 -27.858 -20.857 1.00 0.00 H new ATOM 0 HG2 LYS A 74 18.557 -28.814 -23.287 1.00 0.00 H new ATOM 0 HG3 LYS A 74 17.641 -30.193 -22.710 1.00 0.00 H new ATOM 0 HD2 LYS A 74 15.991 -28.116 -21.966 1.00 0.00 H new ATOM 0 HD3 LYS A 74 16.712 -27.464 -23.423 1.00 0.00 H new ATOM 0 HE2 LYS A 74 15.491 -30.245 -23.306 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.556 -28.822 -23.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.363 -29.941 -25.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 16.066 -28.399 -25.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 16.972 -29.779 -25.173 1.00 0.00 H new ATOM 1230 N MET A 75 20.201 -26.504 -21.279 1.00 0.00 N ATOM 1231 CA MET A 75 20.641 -25.174 -20.875 1.00 0.00 C ATOM 1232 C MET A 75 19.715 -24.595 -19.809 1.00 0.00 C ATOM 1233 O MET A 75 20.124 -23.755 -19.008 1.00 0.00 O ATOM 1234 CB MET A 75 20.692 -24.239 -22.085 1.00 0.00 C ATOM 1235 CG MET A 75 21.491 -24.798 -23.251 1.00 0.00 C ATOM 1236 SD MET A 75 23.243 -24.981 -22.868 1.00 0.00 S ATOM 1237 CE MET A 75 23.674 -23.296 -22.440 1.00 0.00 C ATOM 0 H MET A 75 19.845 -26.559 -22.233 1.00 0.00 H new ATOM 0 HA MET A 75 21.642 -25.264 -20.453 1.00 0.00 H new ATOM 0 HB2 MET A 75 19.675 -24.033 -22.418 1.00 0.00 H new ATOM 0 HB3 MET A 75 21.127 -23.287 -21.780 1.00 0.00 H new ATOM 0 HG2 MET A 75 21.082 -25.768 -23.535 1.00 0.00 H new ATOM 0 HG3 MET A 75 21.378 -24.140 -24.112 1.00 0.00 H new ATOM 0 HE1 MET A 75 24.751 -23.159 -22.542 1.00 0.00 H new ATOM 0 HE2 MET A 75 23.156 -22.607 -23.107 1.00 0.00 H new ATOM 0 HE3 MET A 75 23.378 -23.095 -21.410 1.00 0.00 H new ATOM 1247 N ALA A 76 18.467 -25.050 -19.807 1.00 0.00 N ATOM 1248 CA ALA A 76 17.484 -24.579 -18.839 1.00 0.00 C ATOM 1249 C ALA A 76 18.030 -24.662 -17.418 1.00 0.00 C ATOM 1250 O ALA A 76 17.653 -23.872 -16.551 1.00 0.00 O ATOM 1251 CB ALA A 76 16.197 -25.382 -18.960 1.00 0.00 C ATOM 0 H ALA A 76 18.112 -25.744 -20.465 1.00 0.00 H new ATOM 0 HA ALA A 76 17.268 -23.533 -19.057 1.00 0.00 H new ATOM 0 HB1 ALA A 76 15.472 -25.019 -18.231 1.00 0.00 H new ATOM 0 HB2 ALA A 76 15.790 -25.268 -19.965 1.00 0.00 H new ATOM 0 HB3 ALA A 76 16.406 -26.435 -18.771 1.00 0.00 H new ATOM 1257 N ASP A 77 18.918 -25.622 -17.185 1.00 0.00 N ATOM 1258 CA ASP A 77 19.516 -25.807 -15.868 1.00 0.00 C ATOM 1259 C ASP A 77 20.361 -24.597 -15.480 1.00 0.00 C ATOM 1260 O ASP A 77 20.362 -24.173 -14.324 1.00 0.00 O ATOM 1261 CB ASP A 77 20.375 -27.072 -15.848 1.00 0.00 C ATOM 1262 CG ASP A 77 20.566 -27.620 -14.447 1.00 0.00 C ATOM 1263 OD1 ASP A 77 20.299 -26.878 -13.479 1.00 0.00 O ATOM 1264 OD2 ASP A 77 20.984 -28.790 -14.319 1.00 0.00 O ATOM 0 H ASP A 77 19.240 -26.284 -17.891 1.00 0.00 H new ATOM 0 HA ASP A 77 18.710 -25.913 -15.142 1.00 0.00 H new ATOM 0 HB2 ASP A 77 19.909 -27.834 -16.473 1.00 0.00 H new ATOM 0 HB3 ASP A 77 21.349 -26.853 -16.285 1.00 0.00 H new ATOM 1269 N PHE A 78 21.080 -24.048 -16.453 1.00 0.00 N ATOM 1270 CA PHE A 78 21.932 -22.888 -16.213 1.00 0.00 C ATOM 1271 C PHE A 78 21.096 -21.668 -15.837 1.00 0.00 C ATOM 1272 O PHE A 78 21.361 -21.007 -14.832 1.00 0.00 O ATOM 1273 CB PHE A 78 22.773 -22.581 -17.454 1.00 0.00 C ATOM 1274 CG PHE A 78 24.116 -23.252 -17.448 1.00 0.00 C ATOM 1275 CD1 PHE A 78 25.033 -22.990 -16.443 1.00 0.00 C ATOM 1276 CD2 PHE A 78 24.463 -24.146 -18.449 1.00 0.00 C ATOM 1277 CE1 PHE A 78 26.270 -23.606 -16.434 1.00 0.00 C ATOM 1278 CE2 PHE A 78 25.699 -24.765 -18.446 1.00 0.00 C ATOM 1279 CZ PHE A 78 26.604 -24.494 -17.438 1.00 0.00 C ATOM 0 H PHE A 78 21.090 -24.387 -17.415 1.00 0.00 H new ATOM 0 HA PHE A 78 22.596 -23.122 -15.381 1.00 0.00 H new ATOM 0 HB2 PHE A 78 22.223 -22.893 -18.342 1.00 0.00 H new ATOM 0 HB3 PHE A 78 22.915 -21.503 -17.530 1.00 0.00 H new ATOM 0 HD1 PHE A 78 24.778 -22.295 -15.656 1.00 0.00 H new ATOM 0 HD2 PHE A 78 23.760 -24.361 -19.240 1.00 0.00 H new ATOM 0 HE1 PHE A 78 26.974 -23.394 -15.643 1.00 0.00 H new ATOM 0 HE2 PHE A 78 25.957 -25.460 -19.231 1.00 0.00 H new ATOM 0 HZ PHE A 78 27.571 -24.975 -17.435 1.00 0.00 H new ATOM 1289 N ILE A 79 20.087 -21.376 -16.650 1.00 0.00 N ATOM 1290 CA ILE A 79 19.212 -20.237 -16.403 1.00 0.00 C ATOM 1291 C ILE A 79 18.359 -20.459 -15.158 1.00 0.00 C ATOM 1292 O ILE A 79 18.064 -19.519 -14.420 1.00 0.00 O ATOM 1293 CB ILE A 79 18.286 -19.967 -17.604 1.00 0.00 C ATOM 1294 CG1 ILE A 79 17.237 -18.914 -17.240 1.00 0.00 C ATOM 1295 CG2 ILE A 79 17.617 -21.255 -18.058 1.00 0.00 C ATOM 1296 CD1 ILE A 79 15.909 -19.505 -16.820 1.00 0.00 C ATOM 0 H ILE A 79 19.855 -21.913 -17.486 1.00 0.00 H new ATOM 0 HA ILE A 79 19.857 -19.371 -16.250 1.00 0.00 H new ATOM 0 HB ILE A 79 18.887 -19.584 -18.429 1.00 0.00 H new ATOM 0 HG12 ILE A 79 17.622 -18.294 -16.430 1.00 0.00 H new ATOM 0 HG13 ILE A 79 17.079 -18.258 -18.096 1.00 0.00 H new ATOM 0 HG21 ILE A 79 16.966 -21.047 -18.907 1.00 0.00 H new ATOM 0 HG22 ILE A 79 18.379 -21.976 -18.353 1.00 0.00 H new ATOM 0 HG23 ILE A 79 17.026 -21.666 -17.240 1.00 0.00 H new ATOM 0 HD11 ILE A 79 15.214 -18.701 -16.577 1.00 0.00 H new ATOM 0 HD12 ILE A 79 15.502 -20.102 -17.636 1.00 0.00 H new ATOM 0 HD13 ILE A 79 16.053 -20.138 -15.944 1.00 0.00 H new ATOM 1308 N ALA A 80 17.967 -21.708 -14.931 1.00 0.00 N ATOM 1309 CA ALA A 80 17.152 -22.054 -13.773 1.00 0.00 C ATOM 1310 C ALA A 80 17.962 -21.963 -12.484 1.00 0.00 C ATOM 1311 O ALA A 80 17.524 -21.356 -11.506 1.00 0.00 O ATOM 1312 CB ALA A 80 16.571 -23.451 -13.935 1.00 0.00 C ATOM 0 H ALA A 80 18.201 -22.497 -15.534 1.00 0.00 H new ATOM 0 HA ALA A 80 16.334 -21.337 -13.709 1.00 0.00 H new ATOM 0 HB1 ALA A 80 15.965 -23.696 -13.063 1.00 0.00 H new ATOM 0 HB2 ALA A 80 15.950 -23.485 -14.830 1.00 0.00 H new ATOM 0 HB3 ALA A 80 17.382 -24.174 -14.028 1.00 0.00 H new ATOM 1318 N ARG A 81 19.144 -22.569 -12.489 1.00 0.00 N ATOM 1319 CA ARG A 81 20.014 -22.558 -11.319 1.00 0.00 C ATOM 1320 C ARG A 81 20.421 -21.132 -10.959 1.00 0.00 C ATOM 1321 O ARG A 81 20.562 -20.796 -9.783 1.00 0.00 O ATOM 1322 CB ARG A 81 21.261 -23.406 -11.576 1.00 0.00 C ATOM 1323 CG ARG A 81 22.236 -23.425 -10.410 1.00 0.00 C ATOM 1324 CD ARG A 81 23.179 -24.615 -10.491 1.00 0.00 C ATOM 1325 NE ARG A 81 22.460 -25.886 -10.460 1.00 0.00 N ATOM 1326 CZ ARG A 81 22.002 -26.445 -9.345 1.00 0.00 C ATOM 1327 NH1 ARG A 81 22.187 -25.847 -8.176 1.00 0.00 N ATOM 1328 NH2 ARG A 81 21.357 -27.603 -9.399 1.00 0.00 N ATOM 0 H ARG A 81 19.522 -23.074 -13.291 1.00 0.00 H new ATOM 0 HA ARG A 81 19.461 -22.983 -10.481 1.00 0.00 H new ATOM 0 HB2 ARG A 81 20.955 -24.428 -11.799 1.00 0.00 H new ATOM 0 HB3 ARG A 81 21.773 -23.026 -12.460 1.00 0.00 H new ATOM 0 HG2 ARG A 81 22.814 -22.501 -10.403 1.00 0.00 H new ATOM 0 HG3 ARG A 81 21.682 -23.462 -9.472 1.00 0.00 H new ATOM 0 HD2 ARG A 81 23.764 -24.552 -11.408 1.00 0.00 H new ATOM 0 HD3 ARG A 81 23.883 -24.577 -9.660 1.00 0.00 H new ATOM 0 HE ARG A 81 22.301 -26.371 -11.343 1.00 0.00 H new ATOM 0 HH11 ARG A 81 22.682 -24.956 -8.132 1.00 0.00 H new ATOM 0 HH12 ARG A 81 21.835 -26.278 -7.321 1.00 0.00 H new ATOM 0 HH21 ARG A 81 21.212 -28.065 -10.297 1.00 0.00 H new ATOM 0 HH22 ARG A 81 21.006 -28.032 -8.543 1.00 0.00 H new ATOM 1342 N GLU A 82 20.609 -20.300 -11.978 1.00 0.00 N ATOM 1343 CA GLU A 82 21.001 -18.911 -11.767 1.00 0.00 C ATOM 1344 C GLU A 82 19.807 -18.070 -11.326 1.00 0.00 C ATOM 1345 O GLU A 82 19.887 -17.327 -10.348 1.00 0.00 O ATOM 1346 CB GLU A 82 21.604 -18.329 -13.047 1.00 0.00 C ATOM 1347 CG GLU A 82 23.011 -18.823 -13.337 1.00 0.00 C ATOM 1348 CD GLU A 82 23.902 -18.799 -12.111 1.00 0.00 C ATOM 1349 OE1 GLU A 82 23.850 -19.764 -11.319 1.00 0.00 O ATOM 1350 OE2 GLU A 82 24.653 -17.815 -11.943 1.00 0.00 O ATOM 0 H GLU A 82 20.496 -20.563 -12.957 1.00 0.00 H new ATOM 0 HA GLU A 82 21.751 -18.887 -10.977 1.00 0.00 H new ATOM 0 HB2 GLU A 82 20.959 -18.580 -13.889 1.00 0.00 H new ATOM 0 HB3 GLU A 82 21.619 -17.242 -12.970 1.00 0.00 H new ATOM 0 HG2 GLU A 82 22.962 -19.840 -13.726 1.00 0.00 H new ATOM 0 HG3 GLU A 82 23.456 -18.205 -14.117 1.00 0.00 H new ATOM 1357 N GLU A 83 18.702 -18.193 -12.054 1.00 0.00 N ATOM 1358 CA GLU A 83 17.492 -17.442 -11.738 1.00 0.00 C ATOM 1359 C GLU A 83 17.076 -17.667 -10.287 1.00 0.00 C ATOM 1360 O GLU A 83 16.883 -16.714 -9.531 1.00 0.00 O ATOM 1361 CB GLU A 83 16.353 -17.849 -12.676 1.00 0.00 C ATOM 1362 CG GLU A 83 16.322 -17.059 -13.973 1.00 0.00 C ATOM 1363 CD GLU A 83 14.944 -17.034 -14.607 1.00 0.00 C ATOM 1364 OE1 GLU A 83 14.008 -17.610 -14.016 1.00 0.00 O ATOM 1365 OE2 GLU A 83 14.804 -16.439 -15.696 1.00 0.00 O ATOM 0 H GLU A 83 18.619 -18.805 -12.866 1.00 0.00 H new ATOM 0 HA GLU A 83 17.706 -16.382 -11.877 1.00 0.00 H new ATOM 0 HB2 GLU A 83 16.446 -18.910 -12.909 1.00 0.00 H new ATOM 0 HB3 GLU A 83 15.403 -17.719 -12.158 1.00 0.00 H new ATOM 0 HG2 GLU A 83 16.648 -16.037 -13.780 1.00 0.00 H new ATOM 0 HG3 GLU A 83 17.034 -17.493 -14.676 1.00 0.00 H new ATOM 1372 N ILE A 84 16.939 -18.933 -9.906 1.00 0.00 N ATOM 1373 CA ILE A 84 16.547 -19.283 -8.547 1.00 0.00 C ATOM 1374 C ILE A 84 17.565 -18.773 -7.532 1.00 0.00 C ATOM 1375 O ILE A 84 17.214 -18.439 -6.401 1.00 0.00 O ATOM 1376 CB ILE A 84 16.390 -20.806 -8.381 1.00 0.00 C ATOM 1377 CG1 ILE A 84 17.733 -21.505 -8.601 1.00 0.00 C ATOM 1378 CG2 ILE A 84 15.344 -21.339 -9.347 1.00 0.00 C ATOM 1379 CD1 ILE A 84 18.389 -21.971 -7.321 1.00 0.00 C ATOM 0 H ILE A 84 17.094 -19.733 -10.520 1.00 0.00 H new ATOM 0 HA ILE A 84 15.585 -18.805 -8.363 1.00 0.00 H new ATOM 0 HB ILE A 84 16.056 -21.014 -7.365 1.00 0.00 H new ATOM 0 HG12 ILE A 84 17.584 -22.363 -9.256 1.00 0.00 H new ATOM 0 HG13 ILE A 84 18.408 -20.823 -9.118 1.00 0.00 H new ATOM 0 HG21 ILE A 84 15.245 -22.417 -9.217 1.00 0.00 H new ATOM 0 HG22 ILE A 84 14.386 -20.860 -9.147 1.00 0.00 H new ATOM 0 HG23 ILE A 84 15.651 -21.123 -10.371 1.00 0.00 H new ATOM 0 HD11 ILE A 84 19.336 -22.457 -7.554 1.00 0.00 H new ATOM 0 HD12 ILE A 84 18.571 -21.114 -6.672 1.00 0.00 H new ATOM 0 HD13 ILE A 84 17.734 -22.678 -6.813 1.00 0.00 H new ATOM 1391 N GLU A 85 18.827 -18.716 -7.946 1.00 0.00 N ATOM 1392 CA GLU A 85 19.896 -18.246 -7.073 1.00 0.00 C ATOM 1393 C GLU A 85 19.667 -16.793 -6.667 1.00 0.00 C ATOM 1394 O GLU A 85 19.865 -16.423 -5.510 1.00 0.00 O ATOM 1395 CB GLU A 85 21.251 -18.386 -7.769 1.00 0.00 C ATOM 1396 CG GLU A 85 22.436 -18.131 -6.851 1.00 0.00 C ATOM 1397 CD GLU A 85 22.668 -16.655 -6.595 1.00 0.00 C ATOM 1398 OE1 GLU A 85 22.245 -15.832 -7.434 1.00 0.00 O ATOM 1399 OE2 GLU A 85 23.271 -16.322 -5.553 1.00 0.00 O ATOM 0 H GLU A 85 19.134 -18.989 -8.880 1.00 0.00 H new ATOM 0 HA GLU A 85 19.893 -18.861 -6.173 1.00 0.00 H new ATOM 0 HB2 GLU A 85 21.334 -19.390 -8.185 1.00 0.00 H new ATOM 0 HB3 GLU A 85 21.294 -17.689 -8.606 1.00 0.00 H new ATOM 0 HG2 GLU A 85 22.271 -18.639 -5.901 1.00 0.00 H new ATOM 0 HG3 GLU A 85 23.333 -18.565 -7.293 1.00 0.00 H new ATOM 1406 N MET A 86 19.250 -15.975 -7.627 1.00 0.00 N ATOM 1407 CA MET A 86 18.994 -14.562 -7.370 1.00 0.00 C ATOM 1408 C MET A 86 17.658 -14.373 -6.659 1.00 0.00 C ATOM 1409 O MET A 86 17.564 -13.632 -5.681 1.00 0.00 O ATOM 1410 CB MET A 86 19.005 -13.773 -8.680 1.00 0.00 C ATOM 1411 CG MET A 86 19.178 -12.275 -8.486 1.00 0.00 C ATOM 1412 SD MET A 86 20.864 -11.823 -8.037 1.00 0.00 S ATOM 1413 CE MET A 86 20.752 -11.829 -6.249 1.00 0.00 C ATOM 0 H MET A 86 19.082 -16.266 -8.590 1.00 0.00 H new ATOM 0 HA MET A 86 19.786 -14.186 -6.723 1.00 0.00 H new ATOM 0 HB2 MET A 86 19.812 -14.145 -9.312 1.00 0.00 H new ATOM 0 HB3 MET A 86 18.072 -13.957 -9.213 1.00 0.00 H new ATOM 0 HG2 MET A 86 18.900 -11.759 -9.405 1.00 0.00 H new ATOM 0 HG3 MET A 86 18.495 -11.932 -7.709 1.00 0.00 H new ATOM 0 HE1 MET A 86 21.181 -10.908 -5.854 1.00 0.00 H new ATOM 0 HE2 MET A 86 19.706 -11.899 -5.950 1.00 0.00 H new ATOM 0 HE3 MET A 86 21.301 -12.684 -5.853 1.00 0.00 H new ATOM 1423 N MET A 87 16.626 -15.047 -7.158 1.00 0.00 N ATOM 1424 CA MET A 87 15.295 -14.952 -6.570 1.00 0.00 C ATOM 1425 C MET A 87 15.307 -15.428 -5.121 1.00 0.00 C ATOM 1426 O MET A 87 14.688 -14.815 -4.251 1.00 0.00 O ATOM 1427 CB MET A 87 14.296 -15.778 -7.382 1.00 0.00 C ATOM 1428 CG MET A 87 14.333 -15.482 -8.873 1.00 0.00 C ATOM 1429 SD MET A 87 12.753 -14.883 -9.502 1.00 0.00 S ATOM 1430 CE MET A 87 12.527 -13.412 -8.505 1.00 0.00 C ATOM 0 H MET A 87 16.686 -15.664 -7.968 1.00 0.00 H new ATOM 0 HA MET A 87 14.990 -13.906 -6.588 1.00 0.00 H new ATOM 0 HB2 MET A 87 14.500 -16.837 -7.225 1.00 0.00 H new ATOM 0 HB3 MET A 87 13.290 -15.588 -7.007 1.00 0.00 H new ATOM 0 HG2 MET A 87 15.105 -14.738 -9.073 1.00 0.00 H new ATOM 0 HG3 MET A 87 14.615 -16.386 -9.412 1.00 0.00 H new ATOM 0 HE1 MET A 87 11.774 -13.603 -7.740 1.00 0.00 H new ATOM 0 HE2 MET A 87 13.470 -13.148 -8.027 1.00 0.00 H new ATOM 0 HE3 MET A 87 12.199 -12.589 -9.140 1.00 0.00 H new ATOM 1440 N VAL A 88 16.014 -16.525 -4.868 1.00 0.00 N ATOM 1441 CA VAL A 88 16.106 -17.083 -3.524 1.00 0.00 C ATOM 1442 C VAL A 88 17.022 -16.242 -2.642 1.00 0.00 C ATOM 1443 O VAL A 88 16.756 -16.053 -1.455 1.00 0.00 O ATOM 1444 CB VAL A 88 16.627 -18.532 -3.552 1.00 0.00 C ATOM 1445 CG1 VAL A 88 16.936 -19.016 -2.144 1.00 0.00 C ATOM 1446 CG2 VAL A 88 15.619 -19.447 -4.231 1.00 0.00 C ATOM 0 H VAL A 88 16.532 -17.045 -5.577 1.00 0.00 H new ATOM 0 HA VAL A 88 15.098 -17.075 -3.108 1.00 0.00 H new ATOM 0 HB VAL A 88 17.551 -18.556 -4.129 1.00 0.00 H new ATOM 0 HG11 VAL A 88 17.303 -20.042 -2.184 1.00 0.00 H new ATOM 0 HG12 VAL A 88 17.697 -18.376 -1.698 1.00 0.00 H new ATOM 0 HG13 VAL A 88 16.030 -18.978 -1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 88 16.003 -20.467 -4.242 1.00 0.00 H new ATOM 0 HG22 VAL A 88 14.677 -19.420 -3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 88 15.454 -19.110 -5.254 1.00 0.00 H new ATOM 1456 N PHE A 89 18.102 -15.738 -3.230 1.00 0.00 N ATOM 1457 CA PHE A 89 19.058 -14.917 -2.498 1.00 0.00 C ATOM 1458 C PHE A 89 18.371 -13.704 -1.878 1.00 0.00 C ATOM 1459 O PHE A 89 18.457 -13.476 -0.670 1.00 0.00 O ATOM 1460 CB PHE A 89 20.186 -14.460 -3.425 1.00 0.00 C ATOM 1461 CG PHE A 89 21.108 -13.454 -2.798 1.00 0.00 C ATOM 1462 CD1 PHE A 89 22.228 -13.866 -2.094 1.00 0.00 C ATOM 1463 CD2 PHE A 89 20.856 -12.097 -2.912 1.00 0.00 C ATOM 1464 CE1 PHE A 89 23.078 -12.943 -1.515 1.00 0.00 C ATOM 1465 CE2 PHE A 89 21.702 -11.169 -2.335 1.00 0.00 C ATOM 1466 CZ PHE A 89 22.815 -11.593 -1.636 1.00 0.00 C ATOM 0 H PHE A 89 18.337 -15.884 -4.212 1.00 0.00 H new ATOM 0 HA PHE A 89 19.480 -15.523 -1.696 1.00 0.00 H new ATOM 0 HB2 PHE A 89 20.766 -15.330 -3.734 1.00 0.00 H new ATOM 0 HB3 PHE A 89 19.752 -14.030 -4.327 1.00 0.00 H new ATOM 0 HD1 PHE A 89 22.439 -14.921 -1.997 1.00 0.00 H new ATOM 0 HD2 PHE A 89 19.988 -11.760 -3.459 1.00 0.00 H new ATOM 0 HE1 PHE A 89 23.947 -13.277 -0.968 1.00 0.00 H new ATOM 0 HE2 PHE A 89 21.493 -10.114 -2.431 1.00 0.00 H new ATOM 0 HZ PHE A 89 23.478 -10.870 -1.185 1.00 0.00 H new ATOM 1476 N LEU A 90 17.690 -12.927 -2.713 1.00 0.00 N ATOM 1477 CA LEU A 90 16.987 -11.736 -2.248 1.00 0.00 C ATOM 1478 C LEU A 90 15.897 -12.102 -1.246 1.00 0.00 C ATOM 1479 O LEU A 90 15.694 -11.404 -0.253 1.00 0.00 O ATOM 1480 CB LEU A 90 16.375 -10.986 -3.433 1.00 0.00 C ATOM 1481 CG LEU A 90 15.524 -11.823 -4.389 1.00 0.00 C ATOM 1482 CD1 LEU A 90 14.063 -11.796 -3.967 1.00 0.00 C ATOM 1483 CD2 LEU A 90 15.677 -11.321 -5.818 1.00 0.00 C ATOM 0 H LEU A 90 17.610 -13.100 -3.715 1.00 0.00 H new ATOM 0 HA LEU A 90 17.710 -11.090 -1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 90 15.759 -10.175 -3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 90 17.183 -10.528 -4.004 1.00 0.00 H new ATOM 0 HG LEU A 90 15.874 -12.854 -4.347 1.00 0.00 H new ATOM 0 HD11 LEU A 90 13.473 -12.397 -4.659 1.00 0.00 H new ATOM 0 HD12 LEU A 90 13.967 -12.203 -2.960 1.00 0.00 H new ATOM 0 HD13 LEU A 90 13.700 -10.768 -3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 90 15.064 -11.928 -6.484 1.00 0.00 H new ATOM 0 HD22 LEU A 90 15.354 -10.281 -5.875 1.00 0.00 H new ATOM 0 HD23 LEU A 90 16.722 -11.393 -6.119 1.00 0.00 H new ATOM 1495 N SER A 91 15.201 -13.203 -1.512 1.00 0.00 N ATOM 1496 CA SER A 91 14.131 -13.661 -0.634 1.00 0.00 C ATOM 1497 C SER A 91 14.635 -13.825 0.797 1.00 0.00 C ATOM 1498 O SER A 91 13.917 -13.541 1.755 1.00 0.00 O ATOM 1499 CB SER A 91 13.560 -14.987 -1.141 1.00 0.00 C ATOM 1500 OG SER A 91 14.253 -16.088 -0.578 1.00 0.00 O ATOM 0 H SER A 91 15.359 -13.794 -2.328 1.00 0.00 H new ATOM 0 HA SER A 91 13.343 -12.908 -0.639 1.00 0.00 H new ATOM 0 HB2 SER A 91 12.502 -15.051 -0.888 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.631 -15.026 -2.228 1.00 0.00 H new ATOM 0 HG SER A 91 15.105 -16.212 -1.046 1.00 0.00 H new ATOM 1506 N SER A 92 15.875 -14.284 0.932 1.00 0.00 N ATOM 1507 CA SER A 92 16.475 -14.490 2.245 1.00 0.00 C ATOM 1508 C SER A 92 16.613 -13.167 2.992 1.00 0.00 C ATOM 1509 O SER A 92 16.519 -13.121 4.219 1.00 0.00 O ATOM 1510 CB SER A 92 17.846 -15.155 2.104 1.00 0.00 C ATOM 1511 OG SER A 92 18.534 -15.172 3.343 1.00 0.00 O ATOM 0 H SER A 92 16.484 -14.520 0.148 1.00 0.00 H new ATOM 0 HA SER A 92 15.819 -15.145 2.819 1.00 0.00 H new ATOM 0 HB2 SER A 92 17.723 -16.175 1.738 1.00 0.00 H new ATOM 0 HB3 SER A 92 18.439 -14.620 1.362 1.00 0.00 H new ATOM 0 HG SER A 92 19.406 -15.603 3.227 1.00 0.00 H new