USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 542 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 13 THR OG1 : rot 180:sc= 0.00347 USER MOD Set 1.2: A 16 GLN :FLIP amide:sc= -0.508 F(o=-6.3!,f=-3.5) USER MOD Set 1.3: A 60 CYS SG : rot -170:sc= -3.04 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.00981! K(o=0.0098!,f=-0.97) USER MOD Single : A 26 SER OG : rot 28:sc= 0.432 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 172:sc= -4.53! USER MOD Single : A 32 MET CE :methyl 144:sc= -0.0676 (180deg=-1.36!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.1 K(o=-1.1,f=-5.2!) USER MOD Single : A 46 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00796) USER MOD Single : A 48 TYR OH : rot 131:sc= 0.157 USER MOD Single : A 50 LYS NZ :NH3+ 168:sc= -0.239 (180deg=-0.385) USER MOD Single : A 56 HIS : no HD1:sc= -2.93! C(o=-2.9!,f=-4.5!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -66:sc= 1.04 USER MOD Single : A 70 LYS NZ :NH3+ 175:sc= -1.16 (180deg=-1.19) USER MOD Single : A 74 ASN : amide:sc= -7.46! C(o=-7.5!,f=-12!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 129 N THR A 13 -17.969 -6.052 -6.365 1.00 0.00 N ATOM 130 CA THR A 13 -17.819 -6.861 -7.568 1.00 0.00 C ATOM 131 C THR A 13 -16.897 -8.049 -7.321 1.00 0.00 C ATOM 132 O THR A 13 -16.324 -8.189 -6.241 1.00 0.00 O ATOM 133 CB THR A 13 -17.262 -6.029 -8.739 1.00 0.00 C ATOM 134 OG1 THR A 13 -16.172 -5.218 -8.288 1.00 0.00 O ATOM 135 CG2 THR A 13 -18.345 -5.144 -9.337 1.00 0.00 C ATOM 0 HA THR A 13 -18.813 -7.224 -7.830 1.00 0.00 H new ATOM 0 HB THR A 13 -16.910 -6.716 -9.509 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.823 -4.693 -9.038 1.00 0.00 H new ATOM 0 HG21 THR A 13 -17.928 -4.566 -10.162 1.00 0.00 H new ATOM 0 HG22 THR A 13 -19.161 -5.766 -9.705 1.00 0.00 H new ATOM 0 HG23 THR A 13 -18.723 -4.465 -8.573 1.00 0.00 H new ATOM 143 N LYS A 14 -16.758 -8.904 -8.329 1.00 0.00 N ATOM 144 CA LYS A 14 -15.904 -10.081 -8.222 1.00 0.00 C ATOM 145 C LYS A 14 -14.457 -9.680 -7.956 1.00 0.00 C ATOM 146 O LYS A 14 -13.854 -10.113 -6.974 1.00 0.00 O ATOM 147 CB LYS A 14 -15.987 -10.914 -9.503 1.00 0.00 C ATOM 148 CG LYS A 14 -15.674 -10.126 -10.763 1.00 0.00 C ATOM 149 CD LYS A 14 -16.414 -10.682 -11.967 1.00 0.00 C ATOM 150 CE LYS A 14 -16.208 -9.813 -13.198 1.00 0.00 C ATOM 151 NZ LYS A 14 -14.844 -9.978 -13.772 1.00 0.00 N ATOM 0 H LYS A 14 -17.226 -8.804 -9.230 1.00 0.00 H new ATOM 0 HA LYS A 14 -16.256 -10.681 -7.383 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -15.294 -11.752 -9.427 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -16.989 -11.336 -9.588 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -15.948 -9.081 -10.617 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.601 -10.151 -10.951 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.067 -11.695 -12.173 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.478 -10.749 -11.742 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.953 -10.069 -13.952 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.367 -8.767 -12.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.744 -9.369 -14.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.134 -9.710 -13.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.701 -10.971 -14.047 1.00 0.00 H new ATOM 165 N GLU A 15 -13.906 -8.850 -8.836 1.00 0.00 N ATOM 166 CA GLU A 15 -12.529 -8.392 -8.695 1.00 0.00 C ATOM 167 C GLU A 15 -12.181 -8.159 -7.227 1.00 0.00 C ATOM 168 O GLU A 15 -11.310 -8.829 -6.672 1.00 0.00 O ATOM 169 CB GLU A 15 -12.312 -7.104 -9.492 1.00 0.00 C ATOM 170 CG GLU A 15 -10.950 -7.023 -10.160 1.00 0.00 C ATOM 171 CD GLU A 15 -10.965 -7.556 -11.580 1.00 0.00 C ATOM 172 OE1 GLU A 15 -11.874 -7.175 -12.347 1.00 0.00 O ATOM 173 OE2 GLU A 15 -10.068 -8.354 -11.924 1.00 0.00 O ATOM 0 H GLU A 15 -14.392 -8.481 -9.654 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.873 -9.169 -9.088 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -13.087 -7.024 -10.255 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.432 -6.250 -8.825 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.615 -5.986 -10.169 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.227 -7.587 -9.572 1.00 0.00 H new ATOM 180 N GLN A 16 -12.868 -7.205 -6.607 1.00 0.00 N ATOM 181 CA GLN A 16 -12.631 -6.883 -5.204 1.00 0.00 C ATOM 182 C GLN A 16 -12.499 -8.153 -4.369 1.00 0.00 C ATOM 183 O GLN A 16 -11.470 -8.386 -3.736 1.00 0.00 O ATOM 184 CB GLN A 16 -13.766 -6.016 -4.659 1.00 0.00 C ATOM 185 CG GLN A 16 -13.981 -4.731 -5.443 1.00 0.00 C ATOM 186 CD GLN A 16 -15.144 -3.914 -4.917 1.00 0.00 C ATOM 187 OE1 GLN A 16 -14.849 -2.958 -4.044 1.00 0.00 O flip ATOM 188 NE2 GLN A 16 -16.295 -4.139 -5.290 1.00 0.00 N flip ATOM 0 H GLN A 16 -13.592 -6.642 -7.053 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.696 -6.327 -5.138 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -14.690 -6.595 -4.666 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.554 -5.766 -3.619 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.073 -4.130 -5.404 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.157 -4.974 -6.491 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -16.477 -4.884 -5.963 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -17.067 -3.581 -4.926 1.00 0.00 H new ATOM 197 N ALA A 17 -13.547 -8.969 -4.373 1.00 0.00 N ATOM 198 CA ALA A 17 -13.548 -10.216 -3.617 1.00 0.00 C ATOM 199 C ALA A 17 -12.284 -11.024 -3.891 1.00 0.00 C ATOM 200 O ALA A 17 -11.638 -11.517 -2.966 1.00 0.00 O ATOM 201 CB ALA A 17 -14.784 -11.036 -3.953 1.00 0.00 C ATOM 0 H ALA A 17 -14.407 -8.789 -4.891 1.00 0.00 H new ATOM 0 HA ALA A 17 -13.567 -9.969 -2.556 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.771 -11.964 -3.381 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.678 -10.466 -3.700 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.789 -11.266 -5.018 1.00 0.00 H new ATOM 207 N ASP A 18 -11.937 -11.158 -5.167 1.00 0.00 N ATOM 208 CA ASP A 18 -10.750 -11.907 -5.562 1.00 0.00 C ATOM 209 C ASP A 18 -9.489 -11.270 -4.987 1.00 0.00 C ATOM 210 O ASP A 18 -8.466 -11.933 -4.825 1.00 0.00 O ATOM 211 CB ASP A 18 -10.651 -11.978 -7.087 1.00 0.00 C ATOM 212 CG ASP A 18 -11.540 -13.055 -7.676 1.00 0.00 C ATOM 213 OD1 ASP A 18 -11.709 -14.106 -7.023 1.00 0.00 O ATOM 214 OD2 ASP A 18 -12.066 -12.848 -8.790 1.00 0.00 O ATOM 0 H ASP A 18 -12.461 -10.758 -5.945 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.838 -12.918 -5.163 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.926 -11.012 -7.511 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -9.616 -12.169 -7.372 1.00 0.00 H new ATOM 219 N ALA A 19 -9.571 -9.979 -4.680 1.00 0.00 N ATOM 220 CA ALA A 19 -8.437 -9.253 -4.122 1.00 0.00 C ATOM 221 C ALA A 19 -8.219 -9.618 -2.658 1.00 0.00 C ATOM 222 O ALA A 19 -7.089 -9.855 -2.230 1.00 0.00 O ATOM 223 CB ALA A 19 -8.647 -7.753 -4.269 1.00 0.00 C ATOM 0 H ALA A 19 -10.411 -9.415 -4.808 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.544 -9.540 -4.677 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.793 -7.223 -3.848 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.746 -7.501 -5.325 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.553 -7.459 -3.739 1.00 0.00 H new ATOM 229 N ILE A 20 -9.306 -9.661 -1.895 1.00 0.00 N ATOM 230 CA ILE A 20 -9.232 -9.997 -0.479 1.00 0.00 C ATOM 231 C ILE A 20 -8.761 -11.434 -0.279 1.00 0.00 C ATOM 232 O ILE A 20 -7.804 -11.688 0.452 1.00 0.00 O ATOM 233 CB ILE A 20 -10.594 -9.814 0.215 1.00 0.00 C ATOM 234 CG1 ILE A 20 -11.000 -8.339 0.209 1.00 0.00 C ATOM 235 CG2 ILE A 20 -10.540 -10.348 1.639 1.00 0.00 C ATOM 236 CD1 ILE A 20 -11.846 -7.949 -0.983 1.00 0.00 C ATOM 0 H ILE A 20 -10.248 -9.467 -2.234 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.510 -9.315 -0.030 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.344 -10.381 -0.336 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -11.551 -8.119 1.123 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.101 -7.723 0.223 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -11.511 -10.211 2.116 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -10.291 -11.409 1.621 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.780 -9.807 2.202 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.096 -6.890 -0.921 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -11.290 -8.137 -1.901 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -12.763 -8.539 -0.987 1.00 0.00 H new ATOM 248 N ARG A 21 -9.440 -12.369 -0.935 1.00 0.00 N ATOM 249 CA ARG A 21 -9.091 -13.781 -0.830 1.00 0.00 C ATOM 250 C ARG A 21 -7.588 -13.984 -1.005 1.00 0.00 C ATOM 251 O ARG A 21 -6.992 -14.855 -0.371 1.00 0.00 O ATOM 252 CB ARG A 21 -9.851 -14.596 -1.878 1.00 0.00 C ATOM 253 CG ARG A 21 -9.239 -14.525 -3.267 1.00 0.00 C ATOM 254 CD ARG A 21 -9.920 -15.488 -4.226 1.00 0.00 C ATOM 255 NE ARG A 21 -9.595 -16.880 -3.926 1.00 0.00 N ATOM 256 CZ ARG A 21 -10.291 -17.632 -3.081 1.00 0.00 C ATOM 257 NH1 ARG A 21 -11.347 -17.129 -2.456 1.00 0.00 N ATOM 258 NH2 ARG A 21 -9.933 -18.891 -2.861 1.00 0.00 N ATOM 0 H ARG A 21 -10.234 -12.175 -1.545 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.374 -14.126 0.164 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.887 -15.638 -1.559 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.880 -14.241 -1.925 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.322 -13.508 -3.651 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.176 -14.758 -3.210 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.000 -15.348 -4.174 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.618 -15.257 -5.247 1.00 0.00 H new ATOM 0 HE ARG A 21 -8.789 -17.298 -4.391 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.626 -16.162 -2.624 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.880 -17.709 -1.808 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -9.122 -19.282 -3.341 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.468 -19.467 -2.212 1.00 0.00 H new ATOM 272 N ARG A 22 -6.984 -13.175 -1.868 1.00 0.00 N ATOM 273 CA ARG A 22 -5.552 -13.267 -2.128 1.00 0.00 C ATOM 274 C ARG A 22 -4.750 -12.719 -0.952 1.00 0.00 C ATOM 275 O ARG A 22 -3.823 -13.366 -0.464 1.00 0.00 O ATOM 276 CB ARG A 22 -5.193 -12.504 -3.404 1.00 0.00 C ATOM 277 CG ARG A 22 -5.347 -13.329 -4.671 1.00 0.00 C ATOM 278 CD ARG A 22 -5.421 -12.445 -5.906 1.00 0.00 C ATOM 279 NE ARG A 22 -5.431 -13.228 -7.139 1.00 0.00 N ATOM 280 CZ ARG A 22 -5.916 -12.778 -8.291 1.00 0.00 C ATOM 281 NH1 ARG A 22 -6.429 -11.558 -8.367 1.00 0.00 N ATOM 282 NH2 ARG A 22 -5.889 -13.550 -9.370 1.00 0.00 N ATOM 0 H ARG A 22 -7.463 -12.448 -2.399 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.299 -14.319 -2.259 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.825 -11.619 -3.478 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.163 -12.155 -3.331 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.506 -14.016 -4.764 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.249 -13.937 -4.603 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.320 -11.831 -5.859 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.570 -11.764 -5.916 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.045 -14.172 -7.114 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.452 -10.962 -7.540 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.801 -11.215 -9.253 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.496 -14.490 -9.315 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.262 -13.204 -10.254 1.00 0.00 H new ATOM 296 N ILE A 23 -5.113 -11.522 -0.501 1.00 0.00 N ATOM 297 CA ILE A 23 -4.428 -10.887 0.618 1.00 0.00 C ATOM 298 C ILE A 23 -4.380 -11.812 1.829 1.00 0.00 C ATOM 299 O ILE A 23 -3.368 -11.885 2.528 1.00 0.00 O ATOM 300 CB ILE A 23 -5.111 -9.567 1.020 1.00 0.00 C ATOM 301 CG1 ILE A 23 -5.026 -8.554 -0.123 1.00 0.00 C ATOM 302 CG2 ILE A 23 -4.474 -9.005 2.283 1.00 0.00 C ATOM 303 CD1 ILE A 23 -5.696 -7.234 0.189 1.00 0.00 C ATOM 0 H ILE A 23 -5.878 -10.973 -0.894 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.412 -10.674 0.287 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.163 -9.767 1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.978 -8.373 -0.360 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.485 -8.984 -1.014 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.967 -8.072 2.555 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.583 -9.723 3.096 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.415 -8.817 2.104 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.597 -6.565 -0.666 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.753 -7.403 0.397 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.222 -6.782 1.061 1.00 0.00 H new ATOM 315 N ARG A 24 -5.479 -12.519 2.071 1.00 0.00 N ATOM 316 CA ARG A 24 -5.562 -13.440 3.198 1.00 0.00 C ATOM 317 C ARG A 24 -4.870 -14.761 2.873 1.00 0.00 C ATOM 318 O ARG A 24 -4.355 -15.438 3.761 1.00 0.00 O ATOM 319 CB ARG A 24 -7.024 -13.697 3.568 1.00 0.00 C ATOM 320 CG ARG A 24 -7.835 -14.327 2.447 1.00 0.00 C ATOM 321 CD ARG A 24 -9.327 -14.131 2.661 1.00 0.00 C ATOM 322 NE ARG A 24 -10.110 -15.222 2.087 1.00 0.00 N ATOM 323 CZ ARG A 24 -10.171 -16.439 2.615 1.00 0.00 C ATOM 324 NH1 ARG A 24 -9.499 -16.720 3.723 1.00 0.00 N ATOM 325 NH2 ARG A 24 -10.906 -17.379 2.034 1.00 0.00 N ATOM 0 H ARG A 24 -6.324 -12.472 1.502 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.054 -12.982 4.047 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.060 -14.349 4.441 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.488 -12.754 3.855 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.542 -13.888 1.493 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.611 -15.392 2.389 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.534 -14.059 3.729 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.637 -13.187 2.212 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.639 -15.039 1.234 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.933 -16.000 4.173 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.548 -17.656 4.126 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.424 -17.167 1.182 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.952 -18.314 2.440 1.00 0.00 H new ATOM 339 N ASN A 25 -4.862 -15.120 1.593 1.00 0.00 N ATOM 340 CA ASN A 25 -4.234 -16.359 1.151 1.00 0.00 C ATOM 341 C ASN A 25 -2.866 -16.086 0.533 1.00 0.00 C ATOM 342 O ASN A 25 -2.298 -16.941 -0.146 1.00 0.00 O ATOM 343 CB ASN A 25 -5.129 -17.076 0.138 1.00 0.00 C ATOM 344 CG ASN A 25 -6.394 -17.625 0.770 1.00 0.00 C ATOM 345 OD1 ASN A 25 -6.337 -18.419 1.709 1.00 0.00 O ATOM 346 ND2 ASN A 25 -7.543 -17.202 0.257 1.00 0.00 N ATOM 0 H ASN A 25 -5.283 -14.570 0.844 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.098 -16.999 2.023 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.396 -16.384 -0.661 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.572 -17.893 -0.321 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.427 -17.536 0.642 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.542 -16.543 -0.522 1.00 0.00 H new ATOM 353 N SER A 26 -2.343 -14.888 0.774 1.00 0.00 N ATOM 354 CA SER A 26 -1.043 -14.500 0.240 1.00 0.00 C ATOM 355 C SER A 26 0.087 -15.101 1.070 1.00 0.00 C ATOM 356 O SER A 26 -0.061 -15.328 2.271 1.00 0.00 O ATOM 357 CB SER A 26 -0.914 -12.976 0.209 1.00 0.00 C ATOM 358 OG SER A 26 -1.579 -12.431 -0.917 1.00 0.00 O ATOM 0 H SER A 26 -2.800 -14.169 1.336 1.00 0.00 H new ATOM 0 HA SER A 26 -0.967 -14.884 -0.777 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.333 -12.554 1.122 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.139 -12.697 0.183 1.00 0.00 H new ATOM 0 HG SER A 26 -2.316 -13.021 -1.179 1.00 0.00 H new ATOM 364 N LYS A 27 1.219 -15.356 0.421 1.00 0.00 N ATOM 365 CA LYS A 27 2.376 -15.929 1.097 1.00 0.00 C ATOM 366 C LYS A 27 3.451 -14.872 1.327 1.00 0.00 C ATOM 367 O LYS A 27 4.431 -15.111 2.033 1.00 0.00 O ATOM 368 CB LYS A 27 2.951 -17.086 0.277 1.00 0.00 C ATOM 369 CG LYS A 27 1.896 -17.891 -0.462 1.00 0.00 C ATOM 370 CD LYS A 27 2.481 -19.157 -1.065 1.00 0.00 C ATOM 371 CE LYS A 27 1.485 -19.849 -1.983 1.00 0.00 C ATOM 372 NZ LYS A 27 1.770 -21.305 -2.113 1.00 0.00 N ATOM 0 H LYS A 27 1.359 -15.174 -0.573 1.00 0.00 H new ATOM 0 HA LYS A 27 2.049 -16.306 2.066 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.665 -16.689 -0.445 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.505 -17.751 0.940 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.090 -18.152 0.224 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.458 -17.280 -1.251 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.383 -18.911 -1.625 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.776 -19.838 -0.267 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.476 -19.710 -1.595 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.515 -19.384 -2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.070 -21.741 -2.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.723 -21.438 -2.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.716 -21.754 -1.177 1.00 0.00 H new ATOM 386 N ASP A 28 3.260 -13.702 0.728 1.00 0.00 N ATOM 387 CA ASP A 28 4.212 -12.606 0.869 1.00 0.00 C ATOM 388 C ASP A 28 3.560 -11.271 0.523 1.00 0.00 C ATOM 389 O ASP A 28 2.603 -11.218 -0.250 1.00 0.00 O ATOM 390 CB ASP A 28 5.429 -12.841 -0.027 1.00 0.00 C ATOM 391 CG ASP A 28 6.317 -13.959 0.484 1.00 0.00 C ATOM 392 OD1 ASP A 28 6.945 -13.779 1.548 1.00 0.00 O ATOM 393 OD2 ASP A 28 6.383 -15.014 -0.181 1.00 0.00 O ATOM 0 H ASP A 28 2.455 -13.488 0.140 1.00 0.00 H new ATOM 0 HA ASP A 28 4.537 -12.572 1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.093 -13.080 -1.036 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.010 -11.921 -0.094 1.00 0.00 H new ATOM 398 N SER A 29 4.084 -10.195 1.100 1.00 0.00 N ATOM 399 CA SER A 29 3.550 -8.860 0.857 1.00 0.00 C ATOM 400 C SER A 29 3.420 -8.592 -0.639 1.00 0.00 C ATOM 401 O SER A 29 2.418 -8.043 -1.098 1.00 0.00 O ATOM 402 CB SER A 29 4.449 -7.802 1.500 1.00 0.00 C ATOM 403 OG SER A 29 4.086 -6.499 1.078 1.00 0.00 O ATOM 0 H SER A 29 4.878 -10.221 1.739 1.00 0.00 H new ATOM 0 HA SER A 29 2.559 -8.805 1.307 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.376 -7.869 2.585 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.489 -7.996 1.238 1.00 0.00 H new ATOM 0 HG SER A 29 4.586 -5.836 1.598 1.00 0.00 H new ATOM 409 N TRP A 30 4.440 -8.982 -1.394 1.00 0.00 N ATOM 410 CA TRP A 30 4.441 -8.784 -2.839 1.00 0.00 C ATOM 411 C TRP A 30 3.122 -9.242 -3.453 1.00 0.00 C ATOM 412 O TRP A 30 2.645 -8.660 -4.427 1.00 0.00 O ATOM 413 CB TRP A 30 5.605 -9.543 -3.478 1.00 0.00 C ATOM 414 CG TRP A 30 6.881 -9.439 -2.699 1.00 0.00 C ATOM 415 CD1 TRP A 30 7.602 -10.470 -2.166 1.00 0.00 C ATOM 416 CD2 TRP A 30 7.585 -8.239 -2.364 1.00 0.00 C ATOM 417 NE1 TRP A 30 8.712 -9.982 -1.519 1.00 0.00 N ATOM 418 CE2 TRP A 30 8.725 -8.616 -1.627 1.00 0.00 C ATOM 419 CE3 TRP A 30 7.365 -6.882 -2.616 1.00 0.00 C ATOM 420 CZ2 TRP A 30 9.639 -7.685 -1.141 1.00 0.00 C ATOM 421 CZ3 TRP A 30 8.272 -5.959 -2.132 1.00 0.00 C ATOM 422 CH2 TRP A 30 9.398 -6.363 -1.402 1.00 0.00 C ATOM 0 H TRP A 30 5.277 -9.437 -1.030 1.00 0.00 H new ATOM 0 HA TRP A 30 4.560 -7.718 -3.034 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.333 -10.594 -3.578 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.770 -9.160 -4.485 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.338 -11.515 -2.242 1.00 0.00 H new ATOM 0 HE1 TRP A 30 9.412 -10.545 -1.037 1.00 0.00 H new ATOM 0 HE3 TRP A 30 6.501 -6.561 -3.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 10.507 -7.995 -0.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.110 -4.908 -2.320 1.00 0.00 H new ATOM 0 HH2 TRP A 30 10.089 -5.617 -1.038 1.00 0.00 H new ATOM 433 N ASP A 31 2.538 -10.286 -2.876 1.00 0.00 N ATOM 434 CA ASP A 31 1.272 -10.820 -3.366 1.00 0.00 C ATOM 435 C ASP A 31 0.118 -9.885 -3.022 1.00 0.00 C ATOM 436 O ASP A 31 -0.750 -9.621 -3.854 1.00 0.00 O ATOM 437 CB ASP A 31 1.016 -12.207 -2.772 1.00 0.00 C ATOM 438 CG ASP A 31 0.208 -13.093 -3.700 1.00 0.00 C ATOM 439 OD1 ASP A 31 -0.962 -12.754 -3.973 1.00 0.00 O ATOM 440 OD2 ASP A 31 0.745 -14.126 -4.151 1.00 0.00 O ATOM 0 H ASP A 31 2.920 -10.779 -2.069 1.00 0.00 H new ATOM 0 HA ASP A 31 1.336 -10.903 -4.451 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.970 -12.688 -2.554 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.488 -12.102 -1.824 1.00 0.00 H new ATOM 445 N MET A 32 0.113 -9.387 -1.789 1.00 0.00 N ATOM 446 CA MET A 32 -0.935 -8.481 -1.335 1.00 0.00 C ATOM 447 C MET A 32 -1.003 -7.241 -2.221 1.00 0.00 C ATOM 448 O MET A 32 -1.988 -7.024 -2.928 1.00 0.00 O ATOM 449 CB MET A 32 -0.690 -8.070 0.118 1.00 0.00 C ATOM 450 CG MET A 32 -1.355 -8.990 1.129 1.00 0.00 C ATOM 451 SD MET A 32 -0.949 -8.559 2.832 1.00 0.00 S ATOM 452 CE MET A 32 0.385 -9.707 3.163 1.00 0.00 C ATOM 0 H MET A 32 0.823 -9.596 -1.087 1.00 0.00 H new ATOM 0 HA MET A 32 -1.888 -9.006 -1.401 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.384 -8.052 0.306 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.057 -7.054 0.267 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.436 -8.949 0.996 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.049 -10.018 0.936 1.00 0.00 H new ATOM 0 HE1 MET A 32 1.127 -9.228 3.802 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.011 -10.590 3.665 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.852 -10.003 2.224 1.00 0.00 H new ATOM 462 N LEU A 33 0.049 -6.431 -2.179 1.00 0.00 N ATOM 463 CA LEU A 33 0.108 -5.212 -2.978 1.00 0.00 C ATOM 464 C LEU A 33 0.054 -5.534 -4.468 1.00 0.00 C ATOM 465 O LEU A 33 -0.505 -4.775 -5.258 1.00 0.00 O ATOM 466 CB LEU A 33 1.385 -4.431 -2.660 1.00 0.00 C ATOM 467 CG LEU A 33 1.625 -4.111 -1.184 1.00 0.00 C ATOM 468 CD1 LEU A 33 2.979 -3.444 -0.996 1.00 0.00 C ATOM 469 CD2 LEU A 33 0.513 -3.225 -0.643 1.00 0.00 C ATOM 0 H LEU A 33 0.873 -6.596 -1.600 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.758 -4.600 -2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.237 -5.000 -3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.362 -3.493 -3.215 1.00 0.00 H new ATOM 0 HG LEU A 33 1.622 -5.046 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.132 -3.224 0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.766 -4.113 -1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.010 -2.517 -1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.700 -3.007 0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.484 -2.293 -1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.443 -3.739 -0.743 1.00 0.00 H new ATOM 481 N GLY A 34 0.638 -6.668 -4.845 1.00 0.00 N ATOM 482 CA GLY A 34 0.643 -7.072 -6.239 1.00 0.00 C ATOM 483 C GLY A 34 1.836 -6.526 -6.997 1.00 0.00 C ATOM 484 O GLY A 34 1.723 -6.158 -8.166 1.00 0.00 O ATOM 0 H GLY A 34 1.107 -7.314 -4.210 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.646 -8.160 -6.299 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.275 -6.729 -6.717 1.00 0.00 H new ATOM 488 N VAL A 35 2.985 -6.470 -6.329 1.00 0.00 N ATOM 489 CA VAL A 35 4.204 -5.964 -6.947 1.00 0.00 C ATOM 490 C VAL A 35 5.325 -6.996 -6.877 1.00 0.00 C ATOM 491 O VAL A 35 5.169 -8.059 -6.276 1.00 0.00 O ATOM 492 CB VAL A 35 4.677 -4.663 -6.272 1.00 0.00 C ATOM 493 CG1 VAL A 35 3.756 -3.508 -6.635 1.00 0.00 C ATOM 494 CG2 VAL A 35 4.751 -4.842 -4.763 1.00 0.00 C ATOM 0 H VAL A 35 3.096 -6.769 -5.360 1.00 0.00 H new ATOM 0 HA VAL A 35 3.968 -5.758 -7.991 1.00 0.00 H new ATOM 0 HB VAL A 35 5.677 -4.428 -6.637 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.106 -2.597 -6.149 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.758 -3.367 -7.716 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.743 -3.732 -6.301 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.087 -3.913 -4.302 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.765 -5.102 -4.379 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.455 -5.640 -4.525 1.00 0.00 H new ATOM 504 N LYS A 36 6.456 -6.675 -7.496 1.00 0.00 N ATOM 505 CA LYS A 36 7.605 -7.572 -7.504 1.00 0.00 C ATOM 506 C LYS A 36 8.627 -7.157 -6.450 1.00 0.00 C ATOM 507 O LYS A 36 8.737 -5.986 -6.085 1.00 0.00 O ATOM 508 CB LYS A 36 8.260 -7.583 -8.887 1.00 0.00 C ATOM 509 CG LYS A 36 9.054 -6.325 -9.194 1.00 0.00 C ATOM 510 CD LYS A 36 8.221 -5.316 -9.966 1.00 0.00 C ATOM 511 CE LYS A 36 8.318 -5.544 -11.467 1.00 0.00 C ATOM 512 NZ LYS A 36 7.751 -4.404 -12.239 1.00 0.00 N ATOM 0 H LYS A 36 6.601 -5.800 -7.999 1.00 0.00 H new ATOM 0 HA LYS A 36 7.252 -8.576 -7.267 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.921 -8.447 -8.960 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.487 -7.709 -9.645 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.401 -5.876 -8.263 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.941 -6.585 -9.772 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.179 -5.387 -9.653 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.557 -4.307 -9.728 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.362 -5.688 -11.746 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.789 -6.460 -11.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.836 -4.598 -13.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.748 -4.282 -11.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.272 -3.534 -12.007 1.00 0.00 H new ATOM 526 N PRO A 37 9.393 -8.138 -5.948 1.00 0.00 N ATOM 527 CA PRO A 37 10.420 -7.897 -4.930 1.00 0.00 C ATOM 528 C PRO A 37 11.609 -7.116 -5.479 1.00 0.00 C ATOM 529 O PRO A 37 12.333 -7.599 -6.349 1.00 0.00 O ATOM 530 CB PRO A 37 10.850 -9.308 -4.521 1.00 0.00 C ATOM 531 CG PRO A 37 10.540 -10.157 -5.705 1.00 0.00 C ATOM 532 CD PRO A 37 9.315 -9.556 -6.336 1.00 0.00 C ATOM 0 HA PRO A 37 10.042 -7.295 -4.104 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.912 -9.343 -4.276 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.308 -9.647 -3.638 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.374 -10.168 -6.406 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.359 -11.190 -5.408 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.320 -9.677 -7.419 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.402 -10.024 -5.967 1.00 0.00 H new ATOM 540 N GLY A 38 11.804 -5.906 -4.965 1.00 0.00 N ATOM 541 CA GLY A 38 12.907 -5.077 -5.416 1.00 0.00 C ATOM 542 C GLY A 38 12.471 -3.665 -5.754 1.00 0.00 C ATOM 543 O GLY A 38 13.303 -2.770 -5.899 1.00 0.00 O ATOM 0 H GLY A 38 11.218 -5.485 -4.244 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.672 -5.042 -4.640 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.364 -5.533 -6.294 1.00 0.00 H new ATOM 547 N ALA A 39 11.164 -3.466 -5.881 1.00 0.00 N ATOM 548 CA ALA A 39 10.619 -2.153 -6.204 1.00 0.00 C ATOM 549 C ALA A 39 11.047 -1.113 -5.174 1.00 0.00 C ATOM 550 O ALA A 39 11.640 -1.448 -4.149 1.00 0.00 O ATOM 551 CB ALA A 39 9.101 -2.218 -6.292 1.00 0.00 C ATOM 0 H ALA A 39 10.462 -4.197 -5.765 1.00 0.00 H new ATOM 0 HA ALA A 39 11.015 -1.851 -7.173 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.708 -1.230 -6.534 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.812 -2.924 -7.070 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.695 -2.546 -5.335 1.00 0.00 H new ATOM 557 N SER A 40 10.742 0.150 -5.453 1.00 0.00 N ATOM 558 CA SER A 40 11.100 1.240 -4.553 1.00 0.00 C ATOM 559 C SER A 40 9.865 1.785 -3.842 1.00 0.00 C ATOM 560 O SER A 40 8.737 1.395 -4.147 1.00 0.00 O ATOM 561 CB SER A 40 11.793 2.363 -5.327 1.00 0.00 C ATOM 562 OG SER A 40 13.195 2.162 -5.371 1.00 0.00 O ATOM 0 H SER A 40 10.248 0.444 -6.295 1.00 0.00 H new ATOM 0 HA SER A 40 11.787 0.848 -3.803 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.397 2.408 -6.341 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.574 3.322 -4.857 1.00 0.00 H new ATOM 0 HG SER A 40 13.615 2.892 -5.872 1.00 0.00 H new ATOM 568 N ARG A 41 10.086 2.688 -2.892 1.00 0.00 N ATOM 569 CA ARG A 41 8.992 3.285 -2.136 1.00 0.00 C ATOM 570 C ARG A 41 7.873 3.741 -3.068 1.00 0.00 C ATOM 571 O ARG A 41 6.697 3.477 -2.817 1.00 0.00 O ATOM 572 CB ARG A 41 9.501 4.471 -1.314 1.00 0.00 C ATOM 573 CG ARG A 41 8.391 5.367 -0.787 1.00 0.00 C ATOM 574 CD ARG A 41 8.860 6.195 0.399 1.00 0.00 C ATOM 575 NE ARG A 41 7.949 7.298 0.691 1.00 0.00 N ATOM 576 CZ ARG A 41 8.084 8.105 1.737 1.00 0.00 C ATOM 577 NH1 ARG A 41 9.087 7.933 2.587 1.00 0.00 N ATOM 578 NH2 ARG A 41 7.214 9.088 1.935 1.00 0.00 N ATOM 0 H ARG A 41 11.013 3.022 -2.628 1.00 0.00 H new ATOM 0 HA ARG A 41 8.593 2.528 -1.461 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.084 4.096 -0.473 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.176 5.066 -1.929 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.048 6.029 -1.582 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.538 4.756 -0.491 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.947 5.554 1.277 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.855 6.591 0.194 1.00 0.00 H new ATOM 0 HE ARG A 41 7.166 7.457 0.057 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.758 7.179 2.438 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.188 8.555 3.389 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.441 9.224 1.283 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.318 9.707 2.739 1.00 0.00 H new ATOM 592 N ASP A 42 8.247 4.426 -4.143 1.00 0.00 N ATOM 593 CA ASP A 42 7.275 4.918 -5.112 1.00 0.00 C ATOM 594 C ASP A 42 6.421 3.776 -5.653 1.00 0.00 C ATOM 595 O ASP A 42 5.193 3.838 -5.620 1.00 0.00 O ATOM 596 CB ASP A 42 7.987 5.629 -6.264 1.00 0.00 C ATOM 597 CG ASP A 42 8.411 7.039 -5.901 1.00 0.00 C ATOM 598 OD1 ASP A 42 7.796 7.626 -4.987 1.00 0.00 O ATOM 599 OD2 ASP A 42 9.357 7.555 -6.532 1.00 0.00 O ATOM 0 H ASP A 42 9.216 4.653 -4.365 1.00 0.00 H new ATOM 0 HA ASP A 42 6.621 5.628 -4.606 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.865 5.053 -6.556 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.326 5.663 -7.130 1.00 0.00 H new ATOM 604 N GLU A 43 7.081 2.736 -6.153 1.00 0.00 N ATOM 605 CA GLU A 43 6.381 1.581 -6.703 1.00 0.00 C ATOM 606 C GLU A 43 5.361 1.037 -5.706 1.00 0.00 C ATOM 607 O GLU A 43 4.167 0.970 -5.998 1.00 0.00 O ATOM 608 CB GLU A 43 7.379 0.483 -7.077 1.00 0.00 C ATOM 609 CG GLU A 43 7.928 0.614 -8.488 1.00 0.00 C ATOM 610 CD GLU A 43 9.339 0.077 -8.617 1.00 0.00 C ATOM 611 OE1 GLU A 43 10.278 0.756 -8.152 1.00 0.00 O ATOM 612 OE2 GLU A 43 9.505 -1.024 -9.184 1.00 0.00 O ATOM 0 H GLU A 43 8.098 2.670 -6.189 1.00 0.00 H new ATOM 0 HA GLU A 43 5.851 1.903 -7.600 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.209 0.502 -6.370 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.894 -0.488 -6.974 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.275 0.080 -9.179 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.914 1.663 -8.783 1.00 0.00 H new ATOM 619 N VAL A 44 5.840 0.651 -4.528 1.00 0.00 N ATOM 620 CA VAL A 44 4.972 0.114 -3.488 1.00 0.00 C ATOM 621 C VAL A 44 3.777 1.030 -3.243 1.00 0.00 C ATOM 622 O VAL A 44 2.659 0.564 -3.028 1.00 0.00 O ATOM 623 CB VAL A 44 5.735 -0.080 -2.164 1.00 0.00 C ATOM 624 CG1 VAL A 44 4.803 -0.604 -1.082 1.00 0.00 C ATOM 625 CG2 VAL A 44 6.915 -1.020 -2.364 1.00 0.00 C ATOM 0 H VAL A 44 6.826 0.700 -4.270 1.00 0.00 H new ATOM 0 HA VAL A 44 4.618 -0.855 -3.840 1.00 0.00 H new ATOM 0 HB VAL A 44 6.120 0.887 -1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.360 -0.735 -0.154 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.994 0.109 -0.922 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.386 -1.562 -1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.444 -1.147 -1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.554 -1.988 -2.710 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.594 -0.599 -3.106 1.00 0.00 H new ATOM 635 N ASN A 45 4.022 2.335 -3.278 1.00 0.00 N ATOM 636 CA ASN A 45 2.966 3.317 -3.060 1.00 0.00 C ATOM 637 C ASN A 45 1.980 3.323 -4.224 1.00 0.00 C ATOM 638 O ASN A 45 0.766 3.356 -4.023 1.00 0.00 O ATOM 639 CB ASN A 45 3.568 4.713 -2.880 1.00 0.00 C ATOM 640 CG ASN A 45 4.382 4.831 -1.605 1.00 0.00 C ATOM 641 OD1 ASN A 45 4.085 4.180 -0.603 1.00 0.00 O ATOM 642 ND2 ASN A 45 5.414 5.666 -1.638 1.00 0.00 N ATOM 0 H ASN A 45 4.942 2.738 -3.455 1.00 0.00 H new ATOM 0 HA ASN A 45 2.429 3.040 -2.153 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.202 4.946 -3.736 1.00 0.00 H new ATOM 0 HB3 ASN A 45 2.767 5.452 -2.866 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.998 5.788 -0.811 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.623 6.185 -2.491 1.00 0.00 H new ATOM 649 N LYS A 46 2.510 3.291 -5.442 1.00 0.00 N ATOM 650 CA LYS A 46 1.678 3.291 -6.639 1.00 0.00 C ATOM 651 C LYS A 46 0.786 2.055 -6.681 1.00 0.00 C ATOM 652 O LYS A 46 -0.394 2.141 -7.019 1.00 0.00 O ATOM 653 CB LYS A 46 2.554 3.343 -7.893 1.00 0.00 C ATOM 654 CG LYS A 46 2.803 4.753 -8.402 1.00 0.00 C ATOM 655 CD LYS A 46 3.898 5.447 -7.610 1.00 0.00 C ATOM 656 CE LYS A 46 3.843 6.956 -7.789 1.00 0.00 C ATOM 657 NZ LYS A 46 4.112 7.358 -9.198 1.00 0.00 N ATOM 0 H LYS A 46 3.513 3.265 -5.626 1.00 0.00 H new ATOM 0 HA LYS A 46 1.042 4.176 -6.610 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.512 2.869 -7.677 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.080 2.759 -8.682 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.082 4.717 -9.455 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.882 5.332 -8.336 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.796 5.201 -6.553 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.872 5.077 -7.931 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.861 7.322 -7.488 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.574 7.427 -7.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.133 8.396 -9.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.030 6.973 -9.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.361 6.986 -9.814 1.00 0.00 H new ATOM 671 N ALA A 47 1.357 0.906 -6.334 1.00 0.00 N ATOM 672 CA ALA A 47 0.612 -0.347 -6.329 1.00 0.00 C ATOM 673 C ALA A 47 -0.366 -0.399 -5.160 1.00 0.00 C ATOM 674 O ALA A 47 -1.482 -0.902 -5.293 1.00 0.00 O ATOM 675 CB ALA A 47 1.567 -1.529 -6.274 1.00 0.00 C ATOM 0 H ALA A 47 2.333 0.817 -6.053 1.00 0.00 H new ATOM 0 HA ALA A 47 0.036 -0.403 -7.253 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.997 -2.458 -6.271 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.222 -1.508 -7.145 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.168 -1.469 -5.367 1.00 0.00 H new ATOM 681 N TYR A 48 0.060 0.122 -4.015 1.00 0.00 N ATOM 682 CA TYR A 48 -0.777 0.132 -2.821 1.00 0.00 C ATOM 683 C TYR A 48 -2.027 0.980 -3.039 1.00 0.00 C ATOM 684 O TYR A 48 -3.111 0.640 -2.565 1.00 0.00 O ATOM 685 CB TYR A 48 0.012 0.664 -1.624 1.00 0.00 C ATOM 686 CG TYR A 48 -0.843 1.392 -0.611 1.00 0.00 C ATOM 687 CD1 TYR A 48 -1.210 2.718 -0.806 1.00 0.00 C ATOM 688 CD2 TYR A 48 -1.284 0.754 0.542 1.00 0.00 C ATOM 689 CE1 TYR A 48 -1.990 3.387 0.117 1.00 0.00 C ATOM 690 CE2 TYR A 48 -2.065 1.414 1.470 1.00 0.00 C ATOM 691 CZ TYR A 48 -2.415 2.731 1.253 1.00 0.00 C ATOM 692 OH TYR A 48 -3.194 3.393 2.175 1.00 0.00 O ATOM 0 H TYR A 48 0.980 0.543 -3.888 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.087 -0.893 -2.617 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.515 -0.169 -1.132 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.789 1.339 -1.983 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.880 3.235 -1.695 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.011 -0.276 0.715 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.265 4.418 -0.050 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -2.400 0.903 2.360 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.972 2.842 2.402 1.00 0.00 H new ATOM 702 N ARG A 49 -1.866 2.085 -3.760 1.00 0.00 N ATOM 703 CA ARG A 49 -2.979 2.983 -4.041 1.00 0.00 C ATOM 704 C ARG A 49 -4.035 2.288 -4.896 1.00 0.00 C ATOM 705 O ARG A 49 -5.164 2.074 -4.455 1.00 0.00 O ATOM 706 CB ARG A 49 -2.480 4.242 -4.750 1.00 0.00 C ATOM 707 CG ARG A 49 -1.848 5.259 -3.814 1.00 0.00 C ATOM 708 CD ARG A 49 -1.237 6.421 -4.583 1.00 0.00 C ATOM 709 NE ARG A 49 -2.249 7.202 -5.289 1.00 0.00 N ATOM 710 CZ ARG A 49 -1.991 7.942 -6.361 1.00 0.00 C ATOM 711 NH1 ARG A 49 -0.759 8.001 -6.849 1.00 0.00 N ATOM 712 NH2 ARG A 49 -2.965 8.625 -6.949 1.00 0.00 N ATOM 0 H ARG A 49 -0.975 2.380 -4.160 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.434 3.266 -3.092 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.751 3.957 -5.508 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.315 4.710 -5.271 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.601 5.635 -3.122 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.078 4.774 -3.214 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.696 7.068 -3.893 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.509 6.039 -5.299 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.207 7.178 -4.939 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.007 7.477 -6.401 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.563 8.570 -7.673 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.914 8.582 -6.578 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.765 9.193 -7.772 1.00 0.00 H new ATOM 726 N LYS A 50 -3.660 1.940 -6.122 1.00 0.00 N ATOM 727 CA LYS A 50 -4.573 1.269 -7.040 1.00 0.00 C ATOM 728 C LYS A 50 -5.355 0.172 -6.326 1.00 0.00 C ATOM 729 O LYS A 50 -6.511 -0.095 -6.655 1.00 0.00 O ATOM 730 CB LYS A 50 -3.797 0.674 -8.218 1.00 0.00 C ATOM 731 CG LYS A 50 -2.836 -0.431 -7.816 1.00 0.00 C ATOM 732 CD LYS A 50 -2.621 -1.422 -8.948 1.00 0.00 C ATOM 733 CE LYS A 50 -1.246 -2.067 -8.870 1.00 0.00 C ATOM 734 NZ LYS A 50 -0.226 -1.294 -9.632 1.00 0.00 N ATOM 0 H LYS A 50 -2.730 2.112 -6.503 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.281 2.009 -7.415 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.505 0.281 -8.947 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.238 1.468 -8.713 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.880 0.005 -7.526 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.226 -0.954 -6.943 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.389 -2.194 -8.908 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.731 -0.912 -9.905 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.939 -2.143 -7.827 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.299 -3.083 -9.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.724 -1.643 -9.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.391 -1.412 -10.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.297 -0.286 -9.384 1.00 0.00 H new ATOM 748 N LEU A 51 -4.718 -0.459 -5.346 1.00 0.00 N ATOM 749 CA LEU A 51 -5.355 -1.527 -4.583 1.00 0.00 C ATOM 750 C LEU A 51 -6.308 -0.956 -3.538 1.00 0.00 C ATOM 751 O LEU A 51 -7.500 -1.265 -3.536 1.00 0.00 O ATOM 752 CB LEU A 51 -4.296 -2.396 -3.902 1.00 0.00 C ATOM 753 CG LEU A 51 -4.741 -3.801 -3.495 1.00 0.00 C ATOM 754 CD1 LEU A 51 -5.208 -4.586 -4.711 1.00 0.00 C ATOM 755 CD2 LEU A 51 -3.611 -4.535 -2.787 1.00 0.00 C ATOM 0 H LEU A 51 -3.761 -0.250 -5.061 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.930 -2.141 -5.276 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.443 -2.487 -4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.946 -1.875 -3.011 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.578 -3.709 -2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.521 -5.583 -4.402 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.048 -4.070 -5.176 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.390 -4.668 -5.427 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.946 -5.533 -2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.754 -4.616 -3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.322 -3.983 -1.893 1.00 0.00 H new ATOM 767 N ALA A 52 -5.776 -0.120 -2.653 1.00 0.00 N ATOM 768 CA ALA A 52 -6.580 0.498 -1.606 1.00 0.00 C ATOM 769 C ALA A 52 -7.937 0.938 -2.144 1.00 0.00 C ATOM 770 O ALA A 52 -8.964 0.758 -1.488 1.00 0.00 O ATOM 771 CB ALA A 52 -5.840 1.683 -1.002 1.00 0.00 C ATOM 0 H ALA A 52 -4.791 0.145 -2.640 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.751 -0.245 -0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.452 2.135 -0.222 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.898 1.343 -0.573 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.640 2.421 -1.779 1.00 0.00 H new ATOM 777 N VAL A 53 -7.936 1.516 -3.341 1.00 0.00 N ATOM 778 CA VAL A 53 -9.167 1.981 -3.967 1.00 0.00 C ATOM 779 C VAL A 53 -10.137 0.827 -4.197 1.00 0.00 C ATOM 780 O VAL A 53 -11.345 0.969 -4.003 1.00 0.00 O ATOM 781 CB VAL A 53 -8.886 2.676 -5.313 1.00 0.00 C ATOM 782 CG1 VAL A 53 -10.185 3.121 -5.967 1.00 0.00 C ATOM 783 CG2 VAL A 53 -7.946 3.856 -5.116 1.00 0.00 C ATOM 0 H VAL A 53 -7.095 1.673 -3.897 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.617 2.700 -3.282 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.401 1.961 -5.977 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.966 3.610 -6.916 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.819 2.253 -6.144 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.702 3.820 -5.310 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.758 4.336 -6.077 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.402 4.574 -4.435 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.004 3.504 -4.695 1.00 0.00 H new ATOM 793 N LEU A 54 -9.600 -0.316 -4.610 1.00 0.00 N ATOM 794 CA LEU A 54 -10.418 -1.496 -4.866 1.00 0.00 C ATOM 795 C LEU A 54 -10.908 -2.113 -3.560 1.00 0.00 C ATOM 796 O LEU A 54 -12.057 -2.544 -3.457 1.00 0.00 O ATOM 797 CB LEU A 54 -9.621 -2.530 -5.664 1.00 0.00 C ATOM 798 CG LEU A 54 -10.392 -3.771 -6.114 1.00 0.00 C ATOM 799 CD1 LEU A 54 -11.410 -3.408 -7.185 1.00 0.00 C ATOM 800 CD2 LEU A 54 -9.435 -4.837 -6.626 1.00 0.00 C ATOM 0 H LEU A 54 -8.602 -0.450 -4.775 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.286 -1.186 -5.448 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.212 -2.041 -6.548 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.774 -2.853 -5.058 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.927 -4.174 -5.254 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.949 -4.304 -7.493 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.115 -2.680 -6.785 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.896 -2.980 -8.046 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.001 -5.713 -6.942 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.872 -4.444 -7.473 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.745 -5.119 -5.831 1.00 0.00 H new ATOM 812 N LEU A 55 -10.029 -2.151 -2.564 1.00 0.00 N ATOM 813 CA LEU A 55 -10.372 -2.714 -1.263 1.00 0.00 C ATOM 814 C LEU A 55 -10.899 -1.632 -0.324 1.00 0.00 C ATOM 815 O LEU A 55 -11.187 -1.896 0.844 1.00 0.00 O ATOM 816 CB LEU A 55 -9.151 -3.394 -0.641 1.00 0.00 C ATOM 817 CG LEU A 55 -8.408 -4.386 -1.536 1.00 0.00 C ATOM 818 CD1 LEU A 55 -6.991 -4.606 -1.028 1.00 0.00 C ATOM 819 CD2 LEU A 55 -9.161 -5.707 -1.609 1.00 0.00 C ATOM 0 H LEU A 55 -9.074 -1.799 -2.633 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.157 -3.456 -1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.449 -2.621 -0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.471 -3.917 0.260 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.351 -3.967 -2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.478 -5.315 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.453 -3.658 -1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.026 -5.003 -0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.617 -6.401 -2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.250 -6.131 -0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.156 -5.536 -2.020 1.00 0.00 H new ATOM 831 N HIS A 56 -11.024 -0.415 -0.843 1.00 0.00 N ATOM 832 CA HIS A 56 -11.519 0.706 -0.052 1.00 0.00 C ATOM 833 C HIS A 56 -12.841 0.353 0.623 1.00 0.00 C ATOM 834 O HIS A 56 -13.696 -0.324 0.052 1.00 0.00 O ATOM 835 CB HIS A 56 -11.699 1.941 -0.936 1.00 0.00 C ATOM 836 CG HIS A 56 -11.457 3.232 -0.217 1.00 0.00 C ATOM 837 ND1 HIS A 56 -12.459 4.138 0.061 1.00 0.00 N ATOM 838 CD2 HIS A 56 -10.319 3.767 0.284 1.00 0.00 C ATOM 839 CE1 HIS A 56 -11.947 5.175 0.700 1.00 0.00 C ATOM 840 NE2 HIS A 56 -10.650 4.974 0.848 1.00 0.00 N ATOM 0 H HIS A 56 -10.789 -0.180 -1.807 1.00 0.00 H new ATOM 0 HA HIS A 56 -10.783 0.926 0.722 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.017 1.873 -1.784 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.711 1.944 -1.340 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.334 3.326 0.247 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -12.496 6.040 1.043 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -10.000 5.612 1.307 1.00 0.00 H new ATOM 848 N PRO A 57 -13.012 0.819 1.869 1.00 0.00 N ATOM 849 CA PRO A 57 -14.227 0.565 2.649 1.00 0.00 C ATOM 850 C PRO A 57 -15.437 1.311 2.098 1.00 0.00 C ATOM 851 O PRO A 57 -16.574 0.858 2.237 1.00 0.00 O ATOM 852 CB PRO A 57 -13.868 1.085 4.044 1.00 0.00 C ATOM 853 CG PRO A 57 -12.813 2.109 3.806 1.00 0.00 C ATOM 854 CD PRO A 57 -12.034 1.632 2.611 1.00 0.00 C ATOM 0 HA PRO A 57 -14.510 -0.487 2.631 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -14.736 1.519 4.540 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.503 0.282 4.684 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.255 3.088 3.619 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.166 2.213 4.677 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.667 2.465 2.012 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.165 1.045 2.906 1.00 0.00 H new ATOM 862 N ASP A 58 -15.186 2.455 1.472 1.00 0.00 N ATOM 863 CA ASP A 58 -16.255 3.263 0.897 1.00 0.00 C ATOM 864 C ASP A 58 -16.602 2.786 -0.510 1.00 0.00 C ATOM 865 O ASP A 58 -17.558 3.263 -1.121 1.00 0.00 O ATOM 866 CB ASP A 58 -15.848 4.737 0.863 1.00 0.00 C ATOM 867 CG ASP A 58 -16.879 5.607 0.173 1.00 0.00 C ATOM 868 OD1 ASP A 58 -18.077 5.255 0.216 1.00 0.00 O ATOM 869 OD2 ASP A 58 -16.489 6.639 -0.413 1.00 0.00 O ATOM 0 H ASP A 58 -14.251 2.844 1.350 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.138 3.152 1.526 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.700 5.093 1.882 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.892 4.835 0.349 1.00 0.00 H new ATOM 874 N LYS A 59 -15.818 1.841 -1.018 1.00 0.00 N ATOM 875 CA LYS A 59 -16.041 1.298 -2.353 1.00 0.00 C ATOM 876 C LYS A 59 -16.348 -0.195 -2.288 1.00 0.00 C ATOM 877 O LYS A 59 -17.003 -0.742 -3.176 1.00 0.00 O ATOM 878 CB LYS A 59 -14.814 1.539 -3.235 1.00 0.00 C ATOM 879 CG LYS A 59 -14.616 2.995 -3.617 1.00 0.00 C ATOM 880 CD LYS A 59 -13.709 3.136 -4.828 1.00 0.00 C ATOM 881 CE LYS A 59 -14.486 2.989 -6.127 1.00 0.00 C ATOM 882 NZ LYS A 59 -13.676 3.397 -7.308 1.00 0.00 N ATOM 0 H LYS A 59 -15.022 1.435 -0.525 1.00 0.00 H new ATOM 0 HA LYS A 59 -16.900 1.809 -2.788 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.926 1.185 -2.712 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -14.907 0.943 -4.143 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -15.583 3.451 -3.831 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -14.187 3.538 -2.775 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.218 4.109 -4.805 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.924 2.381 -4.785 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.803 1.953 -6.245 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -15.390 3.596 -6.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.241 3.282 -8.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.394 4.393 -7.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.826 2.801 -7.368 1.00 0.00 H new ATOM 896 N CYS A 60 -15.874 -0.847 -1.232 1.00 0.00 N ATOM 897 CA CYS A 60 -16.099 -2.277 -1.052 1.00 0.00 C ATOM 898 C CYS A 60 -16.754 -2.558 0.297 1.00 0.00 C ATOM 899 O CYS A 60 -16.091 -2.550 1.334 1.00 0.00 O ATOM 900 CB CYS A 60 -14.779 -3.040 -1.161 1.00 0.00 C ATOM 901 SG CYS A 60 -14.966 -4.777 -1.627 1.00 0.00 S ATOM 0 H CYS A 60 -15.332 -0.408 -0.488 1.00 0.00 H new ATOM 0 HA CYS A 60 -16.771 -2.616 -1.840 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -14.145 -2.544 -1.896 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -14.260 -2.986 -0.204 1.00 0.00 H new ATOM 0 HG CYS A 60 -13.827 -5.388 -1.491 1.00 0.00 H new ATOM 907 N VAL A 61 -18.060 -2.805 0.275 1.00 0.00 N ATOM 908 CA VAL A 61 -18.804 -3.089 1.496 1.00 0.00 C ATOM 909 C VAL A 61 -18.665 -4.553 1.897 1.00 0.00 C ATOM 910 O VAL A 61 -19.338 -5.022 2.815 1.00 0.00 O ATOM 911 CB VAL A 61 -20.298 -2.752 1.333 1.00 0.00 C ATOM 912 CG1 VAL A 61 -20.475 -1.310 0.882 1.00 0.00 C ATOM 913 CG2 VAL A 61 -20.956 -3.710 0.352 1.00 0.00 C ATOM 0 H VAL A 61 -18.624 -2.814 -0.575 1.00 0.00 H new ATOM 0 HA VAL A 61 -18.380 -2.460 2.279 1.00 0.00 H new ATOM 0 HB VAL A 61 -20.786 -2.867 2.301 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -21.537 -1.091 0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -20.041 -0.641 1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -19.974 -1.164 -0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -22.011 -3.457 0.249 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -20.467 -3.629 -0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -20.862 -4.731 0.722 1.00 0.00 H new ATOM 923 N ALA A 62 -17.788 -5.270 1.203 1.00 0.00 N ATOM 924 CA ALA A 62 -17.559 -6.681 1.488 1.00 0.00 C ATOM 925 C ALA A 62 -17.045 -6.877 2.911 1.00 0.00 C ATOM 926 O ALA A 62 -16.411 -5.998 3.494 1.00 0.00 O ATOM 927 CB ALA A 62 -16.578 -7.270 0.485 1.00 0.00 C ATOM 0 H ALA A 62 -17.224 -4.897 0.439 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.511 -7.204 1.398 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -16.416 -8.324 0.710 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -16.984 -7.172 -0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.630 -6.736 0.547 1.00 0.00 H new ATOM 933 N PRO A 63 -17.325 -8.057 3.485 1.00 0.00 N ATOM 934 CA PRO A 63 -16.901 -8.395 4.846 1.00 0.00 C ATOM 935 C PRO A 63 -15.392 -8.591 4.951 1.00 0.00 C ATOM 936 O PRO A 63 -14.809 -8.433 6.023 1.00 0.00 O ATOM 937 CB PRO A 63 -17.632 -9.710 5.129 1.00 0.00 C ATOM 938 CG PRO A 63 -17.869 -10.308 3.785 1.00 0.00 C ATOM 939 CD PRO A 63 -18.077 -9.151 2.848 1.00 0.00 C ATOM 0 HA PRO A 63 -17.134 -7.601 5.555 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.032 -10.370 5.756 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.570 -9.536 5.656 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -17.019 -10.915 3.473 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -18.741 -10.962 3.797 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -17.699 -9.370 1.849 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -19.133 -8.904 2.742 1.00 0.00 H new ATOM 947 N GLY A 64 -14.765 -8.937 3.831 1.00 0.00 N ATOM 948 CA GLY A 64 -13.330 -9.148 3.819 1.00 0.00 C ATOM 949 C GLY A 64 -12.564 -7.908 3.401 1.00 0.00 C ATOM 950 O GLY A 64 -11.433 -7.693 3.835 1.00 0.00 O ATOM 0 H GLY A 64 -15.226 -9.075 2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.003 -9.455 4.812 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.092 -9.965 3.138 1.00 0.00 H new ATOM 954 N SER A 65 -13.182 -7.091 2.554 1.00 0.00 N ATOM 955 CA SER A 65 -12.550 -5.869 2.072 1.00 0.00 C ATOM 956 C SER A 65 -11.812 -5.157 3.202 1.00 0.00 C ATOM 957 O SER A 65 -10.658 -4.759 3.050 1.00 0.00 O ATOM 958 CB SER A 65 -13.596 -4.934 1.463 1.00 0.00 C ATOM 959 OG SER A 65 -14.457 -4.413 2.460 1.00 0.00 O ATOM 0 H SER A 65 -14.120 -7.253 2.187 1.00 0.00 H new ATOM 0 HA SER A 65 -11.827 -6.143 1.304 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.098 -4.115 0.944 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.181 -5.474 0.719 1.00 0.00 H new ATOM 0 HG SER A 65 -14.995 -5.139 2.840 1.00 0.00 H new ATOM 965 N GLU A 66 -12.489 -5.001 4.336 1.00 0.00 N ATOM 966 CA GLU A 66 -11.898 -4.337 5.492 1.00 0.00 C ATOM 967 C GLU A 66 -10.566 -4.980 5.868 1.00 0.00 C ATOM 968 O GLU A 66 -9.521 -4.330 5.842 1.00 0.00 O ATOM 969 CB GLU A 66 -12.857 -4.390 6.684 1.00 0.00 C ATOM 970 CG GLU A 66 -12.267 -3.823 7.964 1.00 0.00 C ATOM 971 CD GLU A 66 -12.837 -4.478 9.208 1.00 0.00 C ATOM 972 OE1 GLU A 66 -12.855 -5.725 9.268 1.00 0.00 O ATOM 973 OE2 GLU A 66 -13.265 -3.742 10.122 1.00 0.00 O ATOM 0 H GLU A 66 -13.446 -5.325 4.478 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.716 -3.296 5.226 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.763 -3.838 6.436 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.152 -5.425 6.857 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.185 -3.955 7.951 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.456 -2.750 8.003 1.00 0.00 H new ATOM 980 N ASP A 67 -10.613 -6.261 6.218 1.00 0.00 N ATOM 981 CA ASP A 67 -9.411 -6.993 6.599 1.00 0.00 C ATOM 982 C ASP A 67 -8.336 -6.871 5.523 1.00 0.00 C ATOM 983 O ASP A 67 -7.150 -6.752 5.827 1.00 0.00 O ATOM 984 CB ASP A 67 -9.741 -8.467 6.842 1.00 0.00 C ATOM 985 CG ASP A 67 -10.780 -8.655 7.930 1.00 0.00 C ATOM 986 OD1 ASP A 67 -10.654 -8.005 8.989 1.00 0.00 O ATOM 987 OD2 ASP A 67 -11.719 -9.453 7.723 1.00 0.00 O ATOM 0 H ASP A 67 -11.470 -6.813 6.246 1.00 0.00 H new ATOM 0 HA ASP A 67 -9.028 -6.557 7.522 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.104 -8.913 5.916 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.831 -9.000 7.117 1.00 0.00 H new ATOM 992 N ALA A 68 -8.760 -6.904 4.264 1.00 0.00 N ATOM 993 CA ALA A 68 -7.834 -6.796 3.143 1.00 0.00 C ATOM 994 C ALA A 68 -6.985 -5.534 3.252 1.00 0.00 C ATOM 995 O ALA A 68 -5.759 -5.605 3.341 1.00 0.00 O ATOM 996 CB ALA A 68 -8.596 -6.809 1.826 1.00 0.00 C ATOM 0 H ALA A 68 -9.739 -7.005 3.995 1.00 0.00 H new ATOM 0 HA ALA A 68 -7.165 -7.656 3.172 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.892 -6.728 0.998 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -9.154 -7.741 1.738 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.288 -5.968 1.798 1.00 0.00 H new ATOM 1002 N PHE A 69 -7.643 -4.380 3.244 1.00 0.00 N ATOM 1003 CA PHE A 69 -6.948 -3.102 3.340 1.00 0.00 C ATOM 1004 C PHE A 69 -5.949 -3.112 4.494 1.00 0.00 C ATOM 1005 O PHE A 69 -4.774 -2.788 4.317 1.00 0.00 O ATOM 1006 CB PHE A 69 -7.952 -1.964 3.531 1.00 0.00 C ATOM 1007 CG PHE A 69 -7.357 -0.599 3.332 1.00 0.00 C ATOM 1008 CD1 PHE A 69 -6.304 -0.166 4.122 1.00 0.00 C ATOM 1009 CD2 PHE A 69 -7.849 0.250 2.355 1.00 0.00 C ATOM 1010 CE1 PHE A 69 -5.755 1.089 3.941 1.00 0.00 C ATOM 1011 CE2 PHE A 69 -7.304 1.507 2.169 1.00 0.00 C ATOM 1012 CZ PHE A 69 -6.254 1.926 2.963 1.00 0.00 C ATOM 0 H PHE A 69 -8.658 -4.304 3.172 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.402 -2.943 2.410 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.777 -2.097 2.831 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.372 -2.026 4.535 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.908 -0.817 4.888 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.669 -0.074 1.731 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -4.936 1.415 4.564 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.698 2.160 1.405 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.824 2.906 2.819 1.00 0.00 H new ATOM 1022 N LYS A 70 -6.424 -3.487 5.677 1.00 0.00 N ATOM 1023 CA LYS A 70 -5.575 -3.541 6.861 1.00 0.00 C ATOM 1024 C LYS A 70 -4.260 -4.251 6.555 1.00 0.00 C ATOM 1025 O LYS A 70 -3.184 -3.753 6.886 1.00 0.00 O ATOM 1026 CB LYS A 70 -6.300 -4.258 8.002 1.00 0.00 C ATOM 1027 CG LYS A 70 -7.288 -3.375 8.744 1.00 0.00 C ATOM 1028 CD LYS A 70 -8.447 -4.183 9.304 1.00 0.00 C ATOM 1029 CE LYS A 70 -7.982 -5.155 10.377 1.00 0.00 C ATOM 1030 NZ LYS A 70 -7.635 -6.486 9.806 1.00 0.00 N ATOM 0 H LYS A 70 -7.393 -3.758 5.841 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.354 -2.518 7.166 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.829 -5.122 7.599 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.562 -4.637 8.709 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.777 -2.859 9.557 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.670 -2.608 8.070 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.194 -3.508 9.722 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.931 -4.734 8.498 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.113 -4.742 10.890 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.766 -5.274 11.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.243 -7.093 10.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.490 -6.929 9.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.929 -6.367 9.051 1.00 0.00 H new ATOM 1044 N ALA A 71 -4.354 -5.415 5.921 1.00 0.00 N ATOM 1045 CA ALA A 71 -3.172 -6.190 5.568 1.00 0.00 C ATOM 1046 C ALA A 71 -2.259 -5.405 4.632 1.00 0.00 C ATOM 1047 O ALA A 71 -1.063 -5.264 4.888 1.00 0.00 O ATOM 1048 CB ALA A 71 -3.578 -7.510 4.928 1.00 0.00 C ATOM 0 H ALA A 71 -5.237 -5.842 5.641 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.618 -6.397 6.483 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.685 -8.079 4.669 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.183 -8.084 5.630 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.157 -7.314 4.026 1.00 0.00 H new ATOM 1054 N VAL A 72 -2.831 -4.895 3.545 1.00 0.00 N ATOM 1055 CA VAL A 72 -2.069 -4.123 2.571 1.00 0.00 C ATOM 1056 C VAL A 72 -1.101 -3.169 3.262 1.00 0.00 C ATOM 1057 O VAL A 72 0.037 -2.999 2.825 1.00 0.00 O ATOM 1058 CB VAL A 72 -2.998 -3.314 1.646 1.00 0.00 C ATOM 1059 CG1 VAL A 72 -2.183 -2.468 0.679 1.00 0.00 C ATOM 1060 CG2 VAL A 72 -3.939 -4.242 0.893 1.00 0.00 C ATOM 0 H VAL A 72 -3.819 -5.003 3.317 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.504 -4.838 1.972 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.600 -2.644 2.260 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.856 -1.903 0.033 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.554 -1.777 1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.554 -3.117 0.069 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.588 -3.654 0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.357 -4.938 0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.547 -4.800 1.605 1.00 0.00 H new ATOM 1070 N VAL A 73 -1.561 -2.549 4.344 1.00 0.00 N ATOM 1071 CA VAL A 73 -0.735 -1.613 5.097 1.00 0.00 C ATOM 1072 C VAL A 73 0.444 -2.323 5.752 1.00 0.00 C ATOM 1073 O VAL A 73 1.597 -1.941 5.560 1.00 0.00 O ATOM 1074 CB VAL A 73 -1.554 -0.891 6.184 1.00 0.00 C ATOM 1075 CG1 VAL A 73 -0.651 -0.015 7.039 1.00 0.00 C ATOM 1076 CG2 VAL A 73 -2.667 -0.068 5.553 1.00 0.00 C ATOM 0 H VAL A 73 -2.501 -2.678 4.719 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.361 -0.877 4.385 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.010 -1.641 6.830 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.247 0.487 7.801 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.107 -0.634 7.520 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.165 0.730 6.409 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.236 0.435 6.335 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.235 0.675 4.883 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.329 -0.724 4.988 1.00 0.00 H new ATOM 1086 N ASN A 74 0.146 -3.362 6.526 1.00 0.00 N ATOM 1087 CA ASN A 74 1.182 -4.127 7.211 1.00 0.00 C ATOM 1088 C ASN A 74 2.237 -4.618 6.224 1.00 0.00 C ATOM 1089 O ASN A 74 3.409 -4.756 6.571 1.00 0.00 O ATOM 1090 CB ASN A 74 0.563 -5.317 7.947 1.00 0.00 C ATOM 1091 CG ASN A 74 0.451 -6.547 7.067 1.00 0.00 C ATOM 1092 OD1 ASN A 74 1.373 -6.874 6.319 1.00 0.00 O ATOM 1093 ND2 ASN A 74 -0.681 -7.235 7.153 1.00 0.00 N ATOM 0 H ASN A 74 -0.804 -3.693 6.694 1.00 0.00 H new ATOM 0 HA ASN A 74 1.665 -3.471 7.936 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.168 -5.554 8.822 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.427 -5.041 8.309 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -0.814 -8.072 6.585 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.418 -6.927 7.787 1.00 0.00 H new ATOM 1100 N ALA A 75 1.811 -4.879 4.992 1.00 0.00 N ATOM 1101 CA ALA A 75 2.719 -5.352 3.955 1.00 0.00 C ATOM 1102 C ALA A 75 3.443 -4.188 3.287 1.00 0.00 C ATOM 1103 O ALA A 75 4.644 -4.260 3.024 1.00 0.00 O ATOM 1104 CB ALA A 75 1.958 -6.167 2.919 1.00 0.00 C ATOM 0 H ALA A 75 0.843 -4.771 4.688 1.00 0.00 H new ATOM 0 HA ALA A 75 3.468 -5.990 4.425 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.648 -6.514 2.150 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.492 -7.026 3.402 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.188 -5.546 2.461 1.00 0.00 H new ATOM 1110 N ARG A 76 2.706 -3.116 3.014 1.00 0.00 N ATOM 1111 CA ARG A 76 3.278 -1.938 2.375 1.00 0.00 C ATOM 1112 C ARG A 76 4.278 -1.249 3.299 1.00 0.00 C ATOM 1113 O ARG A 76 5.477 -1.216 3.021 1.00 0.00 O ATOM 1114 CB ARG A 76 2.172 -0.957 1.982 1.00 0.00 C ATOM 1115 CG ARG A 76 2.693 0.375 1.469 1.00 0.00 C ATOM 1116 CD ARG A 76 1.757 1.517 1.833 1.00 0.00 C ATOM 1117 NE ARG A 76 2.315 2.818 1.473 1.00 0.00 N ATOM 1118 CZ ARG A 76 1.960 3.957 2.057 1.00 0.00 C ATOM 1119 NH1 ARG A 76 1.054 3.955 3.025 1.00 0.00 N ATOM 1120 NH2 ARG A 76 2.513 5.101 1.675 1.00 0.00 N ATOM 0 H ARG A 76 1.711 -3.040 3.226 1.00 0.00 H new ATOM 0 HA ARG A 76 3.803 -2.263 1.477 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.549 -1.414 1.213 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.532 -0.779 2.846 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.681 0.566 1.887 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.809 0.329 0.386 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.802 1.379 1.325 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.555 1.493 2.904 1.00 0.00 H new ATOM 0 HE ARG A 76 3.016 2.854 0.733 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.628 3.077 3.323 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.783 4.831 3.472 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.212 5.107 0.932 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.239 5.975 2.124 1.00 0.00 H new ATOM 1134 N THR A 77 3.776 -0.699 4.401 1.00 0.00 N ATOM 1135 CA THR A 77 4.624 -0.010 5.366 1.00 0.00 C ATOM 1136 C THR A 77 5.917 -0.780 5.610 1.00 0.00 C ATOM 1137 O THR A 77 7.004 -0.203 5.608 1.00 0.00 O ATOM 1138 CB THR A 77 3.898 0.191 6.709 1.00 0.00 C ATOM 1139 OG1 THR A 77 2.794 1.088 6.540 1.00 0.00 O ATOM 1140 CG2 THR A 77 4.849 0.741 7.761 1.00 0.00 C ATOM 0 H THR A 77 2.786 -0.718 4.647 1.00 0.00 H new ATOM 0 HA THR A 77 4.860 0.965 4.940 1.00 0.00 H new ATOM 0 HB THR A 77 3.530 -0.778 7.046 1.00 0.00 H new ATOM 0 HG1 THR A 77 2.337 1.209 7.398 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.314 0.875 8.701 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.672 0.042 7.908 1.00 0.00 H new ATOM 0 HG23 THR A 77 5.244 1.701 7.428 1.00 0.00 H new ATOM 1148 N ALA A 78 5.791 -2.087 5.820 1.00 0.00 N ATOM 1149 CA ALA A 78 6.951 -2.936 6.063 1.00 0.00 C ATOM 1150 C ALA A 78 7.995 -2.767 4.965 1.00 0.00 C ATOM 1151 O ALA A 78 9.133 -2.377 5.230 1.00 0.00 O ATOM 1152 CB ALA A 78 6.524 -4.393 6.170 1.00 0.00 C ATOM 0 H ALA A 78 4.898 -2.580 5.827 1.00 0.00 H new ATOM 0 HA ALA A 78 7.403 -2.631 7.007 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.400 -5.016 6.351 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.821 -4.506 6.995 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.046 -4.701 5.240 1.00 0.00 H new ATOM 1158 N LEU A 79 7.602 -3.064 3.731 1.00 0.00 N ATOM 1159 CA LEU A 79 8.505 -2.946 2.591 1.00 0.00 C ATOM 1160 C LEU A 79 9.164 -1.571 2.559 1.00 0.00 C ATOM 1161 O LEU A 79 10.386 -1.458 2.455 1.00 0.00 O ATOM 1162 CB LEU A 79 7.746 -3.190 1.286 1.00 0.00 C ATOM 1163 CG LEU A 79 7.101 -4.568 1.133 1.00 0.00 C ATOM 1164 CD1 LEU A 79 6.180 -4.595 -0.077 1.00 0.00 C ATOM 1165 CD2 LEU A 79 8.169 -5.647 1.017 1.00 0.00 C ATOM 0 H LEU A 79 6.664 -3.388 3.494 1.00 0.00 H new ATOM 0 HA LEU A 79 9.284 -3.700 2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.966 -2.434 1.196 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.435 -3.039 0.455 1.00 0.00 H new ATOM 0 HG LEU A 79 6.504 -4.769 2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.730 -5.583 -0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.395 -3.849 0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.754 -4.372 -0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.692 -6.621 0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.793 -5.450 0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.788 -5.644 1.914 1.00 0.00 H new ATOM 1177 N LEU A 80 8.348 -0.527 2.651 1.00 0.00 N ATOM 1178 CA LEU A 80 8.851 0.842 2.635 1.00 0.00 C ATOM 1179 C LEU A 80 10.002 1.011 3.622 1.00 0.00 C ATOM 1180 O LEU A 80 11.048 1.565 3.285 1.00 0.00 O ATOM 1181 CB LEU A 80 7.728 1.824 2.972 1.00 0.00 C ATOM 1182 CG LEU A 80 6.505 1.785 2.055 1.00 0.00 C ATOM 1183 CD1 LEU A 80 5.470 2.806 2.501 1.00 0.00 C ATOM 1184 CD2 LEU A 80 6.914 2.033 0.611 1.00 0.00 C ATOM 0 H LEU A 80 7.334 -0.602 2.738 1.00 0.00 H new ATOM 0 HA LEU A 80 9.222 1.054 1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.398 1.631 3.993 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.138 2.834 2.955 1.00 0.00 H new ATOM 0 HG LEU A 80 6.057 0.793 2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.607 2.763 1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.155 2.583 3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.906 3.805 2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.031 2.002 -0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.386 3.012 0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.618 1.263 0.295 1.00 0.00 H new