USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 617 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 155 GLN : amide:sc= 0.608 X(o=0.71,f=0.31) USER MOD Set 1.2: A 195 ASN : amide:sc= 1.29 K(o=0.71,f=-2.7) USER MOD Set 1.3: A 198 CYS SG : rot -98:sc= -1.42! USER MOD Set 1.4: A 218 CYS SG : rot -28:sc= 0.23 USER MOD Single : A 158 LYS NZ :NH3+ 163:sc= -0.0233 (180deg=-0.221) USER MOD Single : A 164 TYR OH : rot 162:sc= -2.87! USER MOD Single : A 169 TYR OH : rot 165:sc= 0.761 USER MOD Single : A 170 LYS NZ :NH3+ -176:sc= 1.26 (180deg=1.06) USER MOD Single : A 171 THR OG1 : rot 78:sc= 0.00633 USER MOD Single : A 176 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.48) USER MOD Single : A 178 SER OG : rot 180:sc= 0 USER MOD Single : A 179 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 182 LYS NZ :NH3+ 157:sc= 1.76 (180deg=0.49) USER MOD Single : A 183 ASN : amide:sc= -1.2! C(o=-1.2!,f=-4.3!) USER MOD Single : A 186 THR OG1 : rot 79:sc= -4.38! USER MOD Single : A 188 THR OG1 : rot 180:sc=0.000289 USER MOD Single : A 192 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 193 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 199 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00704) USER MOD Single : A 200 THR OG1 : rot 84:sc= 1.29 USER MOD Single : A 203 LYS NZ :NH3+ 161:sc= -0.0555 (180deg=-0.396) USER MOD Single : A 210 THR OG1 : rot 41:sc= 0.288 USER MOD Single : A 214 MET CE :methyl 168:sc= -2.07 (180deg=-2.9) USER MOD Single : A 215 MET CE :methyl -131:sc= -0.459 (180deg=-1.15) USER MOD Single : A 216 THR OG1 : rot 180:sc= 0 USER MOD Single : B 2 THR OG1 : rot -167:sc= -3.6! USER MOD Single : B 9 TYR OH : rot 180:sc= 0 USER MOD Single : B 10 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 170 N ILE A 150 10.630 9.031 6.159 1.00 0.00 N ATOM 171 CA ILE A 150 9.774 8.204 5.270 1.00 0.00 C ATOM 172 C ILE A 150 10.424 6.885 4.804 1.00 0.00 C ATOM 173 O ILE A 150 9.812 5.824 4.920 1.00 0.00 O ATOM 174 CB ILE A 150 9.193 8.992 4.053 1.00 0.00 C ATOM 175 CG1 ILE A 150 8.033 8.213 3.426 1.00 0.00 C ATOM 176 CG2 ILE A 150 10.240 9.289 2.986 1.00 0.00 C ATOM 177 CD1 ILE A 150 6.857 8.018 4.359 1.00 0.00 C ATOM 0 HA ILE A 150 8.939 7.929 5.914 1.00 0.00 H new ATOM 0 HB ILE A 150 8.841 9.948 4.439 1.00 0.00 H new ATOM 0 HG12 ILE A 150 7.694 8.739 2.533 1.00 0.00 H new ATOM 0 HG13 ILE A 150 8.395 7.237 3.103 1.00 0.00 H new ATOM 0 HG21 ILE A 150 9.778 9.838 2.166 1.00 0.00 H new ATOM 0 HG22 ILE A 150 11.040 9.889 3.419 1.00 0.00 H new ATOM 0 HG23 ILE A 150 10.652 8.353 2.609 1.00 0.00 H new ATOM 0 HD11 ILE A 150 6.075 7.459 3.846 1.00 0.00 H new ATOM 0 HD12 ILE A 150 7.180 7.465 5.241 1.00 0.00 H new ATOM 0 HD13 ILE A 150 6.468 8.990 4.663 1.00 0.00 H new ATOM 189 N LEU A 151 11.654 6.940 4.314 1.00 0.00 N ATOM 190 CA LEU A 151 12.344 5.759 3.805 1.00 0.00 C ATOM 191 C LEU A 151 12.772 4.848 4.947 1.00 0.00 C ATOM 192 O LEU A 151 13.237 3.733 4.721 1.00 0.00 O ATOM 193 CB LEU A 151 13.569 6.176 2.997 1.00 0.00 C ATOM 194 CG LEU A 151 13.281 7.077 1.797 1.00 0.00 C ATOM 195 CD1 LEU A 151 14.573 7.478 1.106 1.00 0.00 C ATOM 196 CD2 LEU A 151 12.349 6.380 0.818 1.00 0.00 C ATOM 0 H LEU A 151 12.201 7.799 4.257 1.00 0.00 H new ATOM 0 HA LEU A 151 11.654 5.212 3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 151 14.263 6.692 3.660 1.00 0.00 H new ATOM 0 HB3 LEU A 151 14.074 5.277 2.643 1.00 0.00 H new ATOM 0 HG LEU A 151 12.790 7.981 2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 151 14.346 8.119 0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 151 15.209 8.018 1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 151 15.093 6.585 0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 151 12.155 7.037 -0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 151 12.814 5.459 0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 151 11.409 6.144 1.316 1.00 0.00 H new ATOM 208 N ASP A 152 12.632 5.341 6.170 1.00 0.00 N ATOM 209 CA ASP A 152 12.948 4.553 7.353 1.00 0.00 C ATOM 210 C ASP A 152 11.806 3.609 7.672 1.00 0.00 C ATOM 211 O ASP A 152 11.955 2.676 8.463 1.00 0.00 O ATOM 212 CB ASP A 152 13.205 5.455 8.558 1.00 0.00 C ATOM 213 CG ASP A 152 14.396 6.364 8.362 1.00 0.00 C ATOM 214 OD1 ASP A 152 14.208 7.484 7.837 1.00 0.00 O ATOM 215 OD2 ASP A 152 15.519 5.970 8.734 1.00 0.00 O ATOM 0 H ASP A 152 12.301 6.285 6.369 1.00 0.00 H new ATOM 0 HA ASP A 152 13.851 3.980 7.142 1.00 0.00 H new ATOM 0 HB2 ASP A 152 12.319 6.060 8.749 1.00 0.00 H new ATOM 0 HB3 ASP A 152 13.366 4.837 9.441 1.00 0.00 H new ATOM 221 N ILE A 153 10.664 3.855 7.049 1.00 0.00 N ATOM 222 CA ILE A 153 9.485 3.040 7.286 1.00 0.00 C ATOM 223 C ILE A 153 9.501 1.834 6.358 1.00 0.00 C ATOM 224 O ILE A 153 8.834 1.808 5.326 1.00 0.00 O ATOM 225 CB ILE A 153 8.173 3.835 7.096 1.00 0.00 C ATOM 226 CG1 ILE A 153 8.190 5.118 7.938 1.00 0.00 C ATOM 227 CG2 ILE A 153 6.974 2.972 7.474 1.00 0.00 C ATOM 228 CD1 ILE A 153 8.321 4.871 9.429 1.00 0.00 C ATOM 0 H ILE A 153 10.530 4.611 6.377 1.00 0.00 H new ATOM 0 HA ILE A 153 9.516 2.712 8.325 1.00 0.00 H new ATOM 0 HB ILE A 153 8.089 4.114 6.046 1.00 0.00 H new ATOM 0 HG12 ILE A 153 9.018 5.746 7.609 1.00 0.00 H new ATOM 0 HG13 ILE A 153 7.273 5.676 7.751 1.00 0.00 H new ATOM 0 HG21 ILE A 153 6.056 3.544 7.336 1.00 0.00 H new ATOM 0 HG22 ILE A 153 6.949 2.086 6.839 1.00 0.00 H new ATOM 0 HG23 ILE A 153 7.059 2.669 8.517 1.00 0.00 H new ATOM 0 HD11 ILE A 153 8.326 5.825 9.957 1.00 0.00 H new ATOM 0 HD12 ILE A 153 7.480 4.270 9.774 1.00 0.00 H new ATOM 0 HD13 ILE A 153 9.252 4.341 9.630 1.00 0.00 H new ATOM 240 N ARG A 154 10.297 0.848 6.730 1.00 0.00 N ATOM 241 CA ARG A 154 10.431 -0.371 5.954 1.00 0.00 C ATOM 242 C ARG A 154 9.805 -1.525 6.715 1.00 0.00 C ATOM 243 O ARG A 154 9.856 -1.564 7.947 1.00 0.00 O ATOM 244 CB ARG A 154 11.910 -0.658 5.681 1.00 0.00 C ATOM 245 CG ARG A 154 12.636 0.515 5.045 1.00 0.00 C ATOM 246 CD ARG A 154 14.128 0.263 4.920 1.00 0.00 C ATOM 247 NE ARG A 154 14.839 1.462 4.471 1.00 0.00 N ATOM 248 CZ ARG A 154 16.163 1.553 4.355 1.00 0.00 C ATOM 249 NH1 ARG A 154 16.932 0.511 4.634 1.00 0.00 N ATOM 250 NH2 ARG A 154 16.719 2.693 3.968 1.00 0.00 N ATOM 0 H ARG A 154 10.867 0.869 7.576 1.00 0.00 H new ATOM 0 HA ARG A 154 9.918 -0.251 5.000 1.00 0.00 H new ATOM 0 HB2 ARG A 154 12.403 -0.918 6.618 1.00 0.00 H new ATOM 0 HB3 ARG A 154 11.991 -1.526 5.027 1.00 0.00 H new ATOM 0 HG2 ARG A 154 12.217 0.708 4.057 1.00 0.00 H new ATOM 0 HG3 ARG A 154 12.469 1.411 5.642 1.00 0.00 H new ATOM 0 HD2 ARG A 154 14.526 -0.058 5.883 1.00 0.00 H new ATOM 0 HD3 ARG A 154 14.303 -0.550 4.216 1.00 0.00 H new ATOM 0 HE ARG A 154 14.283 2.283 4.231 1.00 0.00 H new ATOM 0 HH11 ARG A 154 16.511 -0.366 4.939 1.00 0.00 H new ATOM 0 HH12 ARG A 154 17.945 0.586 4.543 1.00 0.00 H new ATOM 0 HH21 ARG A 154 16.133 3.501 3.759 1.00 0.00 H new ATOM 0 HH22 ARG A 154 17.733 2.762 3.879 1.00 0.00 H new ATOM 264 N GLN A 155 9.196 -2.451 5.997 1.00 0.00 N ATOM 265 CA GLN A 155 8.560 -3.585 6.633 1.00 0.00 C ATOM 266 C GLN A 155 9.610 -4.616 7.008 1.00 0.00 C ATOM 267 O GLN A 155 10.259 -5.196 6.137 1.00 0.00 O ATOM 268 CB GLN A 155 7.512 -4.220 5.716 1.00 0.00 C ATOM 269 CG GLN A 155 6.550 -5.138 6.457 1.00 0.00 C ATOM 270 CD GLN A 155 5.623 -5.896 5.531 1.00 0.00 C ATOM 271 OE1 GLN A 155 5.303 -5.435 4.439 1.00 0.00 O ATOM 272 NE2 GLN A 155 5.167 -7.057 5.973 1.00 0.00 N ATOM 0 H GLN A 155 9.130 -2.439 4.979 1.00 0.00 H new ATOM 0 HA GLN A 155 8.054 -3.233 7.532 1.00 0.00 H new ATOM 0 HB2 GLN A 155 6.945 -3.432 5.221 1.00 0.00 H new ATOM 0 HB3 GLN A 155 8.017 -4.787 4.934 1.00 0.00 H new ATOM 0 HG2 GLN A 155 7.122 -5.850 7.052 1.00 0.00 H new ATOM 0 HG3 GLN A 155 5.955 -4.546 7.153 1.00 0.00 H new ATOM 0 HE21 GLN A 155 5.458 -7.405 6.887 1.00 0.00 H new ATOM 0 HE22 GLN A 155 4.525 -7.604 5.400 1.00 0.00 H new ATOM 281 N GLY A 156 9.786 -4.818 8.304 1.00 0.00 N ATOM 282 CA GLY A 156 10.722 -5.813 8.779 1.00 0.00 C ATOM 283 C GLY A 156 10.259 -7.217 8.456 1.00 0.00 C ATOM 284 O GLY A 156 9.093 -7.421 8.105 1.00 0.00 O ATOM 0 H GLY A 156 9.295 -4.308 9.038 1.00 0.00 H new ATOM 0 HA2 GLY A 156 11.699 -5.639 8.327 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.847 -5.710 9.857 1.00 0.00 H new ATOM 288 N PRO A 157 11.137 -8.216 8.594 1.00 0.00 N ATOM 289 CA PRO A 157 10.831 -9.603 8.217 1.00 0.00 C ATOM 290 C PRO A 157 9.780 -10.233 9.126 1.00 0.00 C ATOM 291 O PRO A 157 9.204 -11.274 8.808 1.00 0.00 O ATOM 292 CB PRO A 157 12.173 -10.317 8.375 1.00 0.00 C ATOM 293 CG PRO A 157 12.930 -9.498 9.361 1.00 0.00 C ATOM 294 CD PRO A 157 12.498 -8.077 9.143 1.00 0.00 C ATOM 0 HA PRO A 157 10.413 -9.670 7.212 1.00 0.00 H new ATOM 0 HB2 PRO A 157 12.037 -11.338 8.731 1.00 0.00 H new ATOM 0 HB3 PRO A 157 12.702 -10.379 7.424 1.00 0.00 H new ATOM 0 HG2 PRO A 157 12.715 -9.818 10.380 1.00 0.00 H new ATOM 0 HG3 PRO A 157 14.005 -9.605 9.213 1.00 0.00 H new ATOM 0 HD2 PRO A 157 12.500 -7.509 10.073 1.00 0.00 H new ATOM 0 HD3 PRO A 157 13.160 -7.557 8.450 1.00 0.00 H new ATOM 302 N LYS A 158 9.539 -9.593 10.257 1.00 0.00 N ATOM 303 CA LYS A 158 8.542 -10.058 11.207 1.00 0.00 C ATOM 304 C LYS A 158 7.438 -9.018 11.357 1.00 0.00 C ATOM 305 O LYS A 158 6.563 -9.137 12.211 1.00 0.00 O ATOM 306 CB LYS A 158 9.198 -10.335 12.560 1.00 0.00 C ATOM 307 CG LYS A 158 9.820 -9.101 13.188 1.00 0.00 C ATOM 308 CD LYS A 158 10.557 -9.434 14.474 1.00 0.00 C ATOM 309 CE LYS A 158 10.991 -8.177 15.211 1.00 0.00 C ATOM 310 NZ LYS A 158 9.829 -7.416 15.743 1.00 0.00 N ATOM 0 H LYS A 158 10.025 -8.742 10.542 1.00 0.00 H new ATOM 0 HA LYS A 158 8.102 -10.983 10.835 1.00 0.00 H new ATOM 0 HB2 LYS A 158 8.452 -10.744 13.241 1.00 0.00 H new ATOM 0 HB3 LYS A 158 9.967 -11.097 12.434 1.00 0.00 H new ATOM 0 HG2 LYS A 158 10.511 -8.642 12.481 1.00 0.00 H new ATOM 0 HG3 LYS A 158 9.042 -8.367 13.395 1.00 0.00 H new ATOM 0 HD2 LYS A 158 9.913 -10.031 15.119 1.00 0.00 H new ATOM 0 HD3 LYS A 158 11.432 -10.043 14.246 1.00 0.00 H new ATOM 0 HE2 LYS A 158 11.654 -8.449 16.033 1.00 0.00 H new ATOM 0 HE3 LYS A 158 11.564 -7.540 14.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 10.156 -6.744 16.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 9.371 -6.895 14.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 9.146 -8.076 16.167 1.00 0.00 H new ATOM 324 N GLU A 159 7.489 -8.001 10.510 1.00 0.00 N ATOM 325 CA GLU A 159 6.559 -6.882 10.592 1.00 0.00 C ATOM 326 C GLU A 159 5.230 -7.239 9.932 1.00 0.00 C ATOM 327 O GLU A 159 5.206 -7.734 8.802 1.00 0.00 O ATOM 328 CB GLU A 159 7.157 -5.666 9.888 1.00 0.00 C ATOM 329 CG GLU A 159 6.645 -4.333 10.397 1.00 0.00 C ATOM 330 CD GLU A 159 7.244 -3.974 11.738 1.00 0.00 C ATOM 331 OE1 GLU A 159 8.418 -3.553 11.770 1.00 0.00 O ATOM 332 OE2 GLU A 159 6.553 -4.118 12.766 1.00 0.00 O ATOM 0 H GLU A 159 8.169 -7.927 9.753 1.00 0.00 H new ATOM 0 HA GLU A 159 6.383 -6.655 11.643 1.00 0.00 H new ATOM 0 HB2 GLU A 159 8.241 -5.692 10.001 1.00 0.00 H new ATOM 0 HB3 GLU A 159 6.946 -5.739 8.821 1.00 0.00 H new ATOM 0 HG2 GLU A 159 6.881 -3.553 9.673 1.00 0.00 H new ATOM 0 HG3 GLU A 159 5.559 -4.370 10.483 1.00 0.00 H new ATOM 340 N PRO A 160 4.111 -6.996 10.627 1.00 0.00 N ATOM 341 CA PRO A 160 2.779 -7.167 10.060 1.00 0.00 C ATOM 342 C PRO A 160 2.449 -6.011 9.129 1.00 0.00 C ATOM 343 O PRO A 160 2.787 -4.861 9.408 1.00 0.00 O ATOM 344 CB PRO A 160 1.842 -7.145 11.278 1.00 0.00 C ATOM 345 CG PRO A 160 2.721 -7.052 12.483 1.00 0.00 C ATOM 346 CD PRO A 160 4.047 -6.531 12.014 1.00 0.00 C ATOM 0 HA PRO A 160 2.690 -8.083 9.476 1.00 0.00 H new ATOM 0 HB2 PRO A 160 1.160 -6.296 11.228 1.00 0.00 H new ATOM 0 HB3 PRO A 160 1.229 -8.045 11.313 1.00 0.00 H new ATOM 0 HG2 PRO A 160 2.286 -6.386 13.228 1.00 0.00 H new ATOM 0 HG3 PRO A 160 2.834 -8.028 12.955 1.00 0.00 H new ATOM 0 HD2 PRO A 160 4.099 -5.444 12.078 1.00 0.00 H new ATOM 0 HD3 PRO A 160 4.870 -6.926 12.610 1.00 0.00 H new ATOM 354 N PHE A 161 1.776 -6.320 8.030 1.00 0.00 N ATOM 355 CA PHE A 161 1.463 -5.323 7.014 1.00 0.00 C ATOM 356 C PHE A 161 0.536 -4.252 7.582 1.00 0.00 C ATOM 357 O PHE A 161 0.575 -3.099 7.160 1.00 0.00 O ATOM 358 CB PHE A 161 0.825 -5.989 5.791 1.00 0.00 C ATOM 359 CG PHE A 161 0.700 -5.078 4.603 1.00 0.00 C ATOM 360 CD1 PHE A 161 1.757 -4.920 3.719 1.00 0.00 C ATOM 361 CD2 PHE A 161 -0.473 -4.381 4.367 1.00 0.00 C ATOM 362 CE1 PHE A 161 1.647 -4.083 2.626 1.00 0.00 C ATOM 363 CE2 PHE A 161 -0.590 -3.543 3.276 1.00 0.00 C ATOM 364 CZ PHE A 161 0.470 -3.393 2.404 1.00 0.00 C ATOM 0 H PHE A 161 1.434 -7.257 7.818 1.00 0.00 H new ATOM 0 HA PHE A 161 2.392 -4.844 6.703 1.00 0.00 H new ATOM 0 HB2 PHE A 161 1.420 -6.858 5.510 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -0.165 -6.355 6.063 1.00 0.00 H new ATOM 0 HD1 PHE A 161 2.678 -5.458 3.888 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -1.306 -4.494 5.045 1.00 0.00 H new ATOM 0 HE1 PHE A 161 2.478 -3.968 1.946 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -1.511 -3.005 3.105 1.00 0.00 H new ATOM 0 HZ PHE A 161 0.380 -2.738 1.550 1.00 0.00 H new ATOM 374 N ARG A 162 -0.284 -4.635 8.554 1.00 0.00 N ATOM 375 CA ARG A 162 -1.179 -3.691 9.210 1.00 0.00 C ATOM 376 C ARG A 162 -0.369 -2.675 10.017 1.00 0.00 C ATOM 377 O ARG A 162 -0.657 -1.480 9.996 1.00 0.00 O ATOM 378 CB ARG A 162 -2.179 -4.417 10.125 1.00 0.00 C ATOM 379 CG ARG A 162 -1.534 -5.107 11.315 1.00 0.00 C ATOM 380 CD ARG A 162 -2.559 -5.591 12.319 1.00 0.00 C ATOM 381 NE ARG A 162 -1.918 -6.092 13.530 1.00 0.00 N ATOM 382 CZ ARG A 162 -2.454 -7.015 14.328 1.00 0.00 C ATOM 383 NH1 ARG A 162 -3.645 -7.531 14.050 1.00 0.00 N ATOM 384 NH2 ARG A 162 -1.804 -7.417 15.411 1.00 0.00 N ATOM 0 H ARG A 162 -0.347 -5.591 8.904 1.00 0.00 H new ATOM 0 HA ARG A 162 -1.745 -3.168 8.439 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -2.913 -3.698 10.488 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -2.722 -5.158 9.538 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -0.942 -5.953 10.966 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -0.846 -4.417 11.804 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -3.235 -4.775 12.574 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -3.165 -6.380 11.872 1.00 0.00 H new ATOM 0 HE ARG A 162 -1.005 -5.713 13.781 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -4.154 -7.221 13.222 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -4.051 -8.237 14.664 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -0.892 -7.020 15.635 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -2.216 -8.124 16.020 1.00 0.00 H new ATOM 398 N ASP A 163 0.660 -3.162 10.707 1.00 0.00 N ATOM 399 CA ASP A 163 1.519 -2.304 11.514 1.00 0.00 C ATOM 400 C ASP A 163 2.471 -1.523 10.619 1.00 0.00 C ATOM 401 O ASP A 163 2.899 -0.418 10.956 1.00 0.00 O ATOM 402 CB ASP A 163 2.299 -3.132 12.537 1.00 0.00 C ATOM 403 CG ASP A 163 1.413 -3.671 13.650 1.00 0.00 C ATOM 404 OD1 ASP A 163 1.425 -3.088 14.756 1.00 0.00 O ATOM 405 OD2 ASP A 163 0.703 -4.672 13.429 1.00 0.00 O ATOM 0 H ASP A 163 0.918 -4.149 10.722 1.00 0.00 H new ATOM 0 HA ASP A 163 0.892 -1.596 12.057 1.00 0.00 H new ATOM 0 HB2 ASP A 163 2.786 -3.965 12.030 1.00 0.00 H new ATOM 0 HB3 ASP A 163 3.088 -2.518 12.971 1.00 0.00 H new ATOM 411 N TYR A 164 2.798 -2.109 9.476 1.00 0.00 N ATOM 412 CA TYR A 164 3.614 -1.445 8.476 1.00 0.00 C ATOM 413 C TYR A 164 2.874 -0.226 7.931 1.00 0.00 C ATOM 414 O TYR A 164 3.419 0.879 7.911 1.00 0.00 O ATOM 415 CB TYR A 164 3.962 -2.425 7.351 1.00 0.00 C ATOM 416 CG TYR A 164 4.619 -1.788 6.149 1.00 0.00 C ATOM 417 CD1 TYR A 164 5.783 -1.041 6.278 1.00 0.00 C ATOM 418 CD2 TYR A 164 4.073 -1.940 4.882 1.00 0.00 C ATOM 419 CE1 TYR A 164 6.379 -0.460 5.177 1.00 0.00 C ATOM 420 CE2 TYR A 164 4.665 -1.363 3.777 1.00 0.00 C ATOM 421 CZ TYR A 164 5.817 -0.627 3.929 1.00 0.00 C ATOM 422 OH TYR A 164 6.404 -0.049 2.829 1.00 0.00 O ATOM 0 H TYR A 164 2.506 -3.052 9.219 1.00 0.00 H new ATOM 0 HA TYR A 164 4.544 -1.106 8.932 1.00 0.00 H new ATOM 0 HB2 TYR A 164 4.625 -3.194 7.748 1.00 0.00 H new ATOM 0 HB3 TYR A 164 3.050 -2.927 7.028 1.00 0.00 H new ATOM 0 HD1 TYR A 164 6.228 -0.913 7.254 1.00 0.00 H new ATOM 0 HD2 TYR A 164 3.170 -2.519 4.759 1.00 0.00 H new ATOM 0 HE1 TYR A 164 7.281 0.123 5.292 1.00 0.00 H new ATOM 0 HE2 TYR A 164 4.226 -1.489 2.798 1.00 0.00 H new ATOM 0 HH TYR A 164 6.067 -0.478 2.015 1.00 0.00 H new ATOM 432 N VAL A 165 1.627 -0.437 7.515 1.00 0.00 N ATOM 433 CA VAL A 165 0.772 0.652 7.051 1.00 0.00 C ATOM 434 C VAL A 165 0.529 1.663 8.166 1.00 0.00 C ATOM 435 O VAL A 165 0.519 2.870 7.924 1.00 0.00 O ATOM 436 CB VAL A 165 -0.578 0.116 6.513 1.00 0.00 C ATOM 437 CG1 VAL A 165 -1.649 1.201 6.499 1.00 0.00 C ATOM 438 CG2 VAL A 165 -0.390 -0.435 5.111 1.00 0.00 C ATOM 0 H VAL A 165 1.185 -1.356 7.490 1.00 0.00 H new ATOM 0 HA VAL A 165 1.291 1.152 6.233 1.00 0.00 H new ATOM 0 HB VAL A 165 -0.913 -0.677 7.181 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -2.581 0.787 6.115 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -1.806 1.571 7.512 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -1.326 2.022 5.859 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -1.342 -0.811 4.737 1.00 0.00 H new ATOM 0 HG22 VAL A 165 -0.029 0.357 4.454 1.00 0.00 H new ATOM 0 HG23 VAL A 165 0.337 -1.247 5.134 1.00 0.00 H new ATOM 448 N ASP A 166 0.363 1.158 9.385 1.00 0.00 N ATOM 449 CA ASP A 166 0.151 2.006 10.559 1.00 0.00 C ATOM 450 C ASP A 166 1.203 3.106 10.646 1.00 0.00 C ATOM 451 O ASP A 166 0.872 4.280 10.792 1.00 0.00 O ATOM 452 CB ASP A 166 0.202 1.155 11.832 1.00 0.00 C ATOM 453 CG ASP A 166 0.115 1.979 13.103 1.00 0.00 C ATOM 454 OD1 ASP A 166 -1.004 2.147 13.628 1.00 0.00 O ATOM 455 OD2 ASP A 166 1.163 2.448 13.601 1.00 0.00 O ATOM 0 H ASP A 166 0.371 0.159 9.589 1.00 0.00 H new ATOM 0 HA ASP A 166 -0.829 2.473 10.462 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -0.618 0.437 11.815 1.00 0.00 H new ATOM 0 HB3 ASP A 166 1.128 0.581 11.841 1.00 0.00 H new ATOM 461 N ARG A 167 2.466 2.726 10.520 1.00 0.00 N ATOM 462 CA ARG A 167 3.563 3.682 10.634 1.00 0.00 C ATOM 463 C ARG A 167 3.712 4.484 9.348 1.00 0.00 C ATOM 464 O ARG A 167 3.926 5.697 9.380 1.00 0.00 O ATOM 465 CB ARG A 167 4.873 2.955 10.922 1.00 0.00 C ATOM 466 CG ARG A 167 4.780 1.927 12.038 1.00 0.00 C ATOM 467 CD ARG A 167 6.030 1.064 12.091 1.00 0.00 C ATOM 468 NE ARG A 167 6.347 0.503 10.776 1.00 0.00 N ATOM 469 CZ ARG A 167 7.400 -0.272 10.526 1.00 0.00 C ATOM 470 NH1 ARG A 167 8.187 -0.670 11.516 1.00 0.00 N ATOM 471 NH2 ARG A 167 7.648 -0.667 9.284 1.00 0.00 N ATOM 0 H ARG A 167 2.758 1.766 10.339 1.00 0.00 H new ATOM 0 HA ARG A 167 3.333 4.360 11.456 1.00 0.00 H new ATOM 0 HB2 ARG A 167 5.208 2.458 10.012 1.00 0.00 H new ATOM 0 HB3 ARG A 167 5.634 3.690 11.182 1.00 0.00 H new ATOM 0 HG2 ARG A 167 4.643 2.434 12.993 1.00 0.00 H new ATOM 0 HG3 ARG A 167 3.905 1.296 11.884 1.00 0.00 H new ATOM 0 HD2 ARG A 167 6.871 1.660 12.447 1.00 0.00 H new ATOM 0 HD3 ARG A 167 5.886 0.256 12.808 1.00 0.00 H new ATOM 0 HE ARG A 167 5.720 0.720 10.001 1.00 0.00 H new ATOM 0 HH11 ARG A 167 7.987 -0.382 12.474 1.00 0.00 H new ATOM 0 HH12 ARG A 167 8.993 -1.264 11.320 1.00 0.00 H new ATOM 0 HH21 ARG A 167 7.033 -0.377 8.524 1.00 0.00 H new ATOM 0 HH22 ARG A 167 8.454 -1.261 9.089 1.00 0.00 H new ATOM 485 N PHE A 168 3.588 3.786 8.225 1.00 0.00 N ATOM 486 CA PHE A 168 3.776 4.376 6.907 1.00 0.00 C ATOM 487 C PHE A 168 2.785 5.510 6.669 1.00 0.00 C ATOM 488 O PHE A 168 3.177 6.620 6.319 1.00 0.00 O ATOM 489 CB PHE A 168 3.625 3.287 5.839 1.00 0.00 C ATOM 490 CG PHE A 168 3.834 3.761 4.431 1.00 0.00 C ATOM 491 CD1 PHE A 168 5.007 4.406 4.063 1.00 0.00 C ATOM 492 CD2 PHE A 168 2.857 3.559 3.471 1.00 0.00 C ATOM 493 CE1 PHE A 168 5.196 4.837 2.764 1.00 0.00 C ATOM 494 CE2 PHE A 168 3.041 3.988 2.173 1.00 0.00 C ATOM 495 CZ PHE A 168 4.211 4.628 1.817 1.00 0.00 C ATOM 0 H PHE A 168 3.354 2.793 8.204 1.00 0.00 H new ATOM 0 HA PHE A 168 4.778 4.801 6.847 1.00 0.00 H new ATOM 0 HB2 PHE A 168 4.337 2.489 6.049 1.00 0.00 H new ATOM 0 HB3 PHE A 168 2.628 2.854 5.919 1.00 0.00 H new ATOM 0 HD1 PHE A 168 5.779 4.572 4.799 1.00 0.00 H new ATOM 0 HD2 PHE A 168 1.939 3.059 3.742 1.00 0.00 H new ATOM 0 HE1 PHE A 168 6.113 5.337 2.489 1.00 0.00 H new ATOM 0 HE2 PHE A 168 2.270 3.823 1.435 1.00 0.00 H new ATOM 0 HZ PHE A 168 4.356 4.965 0.801 1.00 0.00 H new ATOM 505 N TYR A 169 1.506 5.223 6.886 1.00 0.00 N ATOM 506 CA TYR A 169 0.446 6.212 6.726 1.00 0.00 C ATOM 507 C TYR A 169 0.688 7.438 7.615 1.00 0.00 C ATOM 508 O TYR A 169 0.480 8.578 7.191 1.00 0.00 O ATOM 509 CB TYR A 169 -0.905 5.563 7.043 1.00 0.00 C ATOM 510 CG TYR A 169 -2.005 6.536 7.392 1.00 0.00 C ATOM 511 CD1 TYR A 169 -2.703 7.207 6.401 1.00 0.00 C ATOM 512 CD2 TYR A 169 -2.349 6.777 8.716 1.00 0.00 C ATOM 513 CE1 TYR A 169 -3.713 8.089 6.715 1.00 0.00 C ATOM 514 CE2 TYR A 169 -3.360 7.658 9.039 1.00 0.00 C ATOM 515 CZ TYR A 169 -4.038 8.314 8.034 1.00 0.00 C ATOM 516 OH TYR A 169 -5.048 9.195 8.349 1.00 0.00 O ATOM 0 H TYR A 169 1.176 4.303 7.176 1.00 0.00 H new ATOM 0 HA TYR A 169 0.443 6.560 5.693 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -1.220 4.973 6.183 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -0.774 4.870 7.874 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -2.451 7.036 5.365 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -1.817 6.267 9.505 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -4.248 8.602 5.930 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -3.619 7.833 10.073 1.00 0.00 H new ATOM 0 HH TYR A 169 -5.315 9.066 9.283 1.00 0.00 H new ATOM 526 N LYS A 170 1.147 7.197 8.843 1.00 0.00 N ATOM 527 CA LYS A 170 1.381 8.276 9.803 1.00 0.00 C ATOM 528 C LYS A 170 2.488 9.216 9.338 1.00 0.00 C ATOM 529 O LYS A 170 2.314 10.436 9.319 1.00 0.00 O ATOM 530 CB LYS A 170 1.739 7.709 11.177 1.00 0.00 C ATOM 531 CG LYS A 170 0.566 7.082 11.911 1.00 0.00 C ATOM 532 CD LYS A 170 1.035 6.301 13.126 1.00 0.00 C ATOM 533 CE LYS A 170 -0.125 5.659 13.867 1.00 0.00 C ATOM 534 NZ LYS A 170 0.350 4.690 14.886 1.00 0.00 N ATOM 0 H LYS A 170 1.364 6.265 9.196 1.00 0.00 H new ATOM 0 HA LYS A 170 0.454 8.846 9.875 1.00 0.00 H new ATOM 0 HB2 LYS A 170 2.522 6.960 11.057 1.00 0.00 H new ATOM 0 HB3 LYS A 170 2.154 8.508 11.792 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -0.130 7.861 12.222 1.00 0.00 H new ATOM 0 HG3 LYS A 170 0.023 6.420 11.237 1.00 0.00 H new ATOM 0 HD2 LYS A 170 1.738 5.529 12.813 1.00 0.00 H new ATOM 0 HD3 LYS A 170 1.573 6.967 13.801 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -0.723 6.432 14.350 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -0.776 5.151 13.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -0.467 4.220 15.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 0.956 3.977 14.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 0.895 5.193 15.616 1.00 0.00 H new ATOM 548 N THR A 171 3.623 8.650 8.959 1.00 0.00 N ATOM 549 CA THR A 171 4.760 9.450 8.529 1.00 0.00 C ATOM 550 C THR A 171 4.491 10.080 7.165 1.00 0.00 C ATOM 551 O THR A 171 4.967 11.170 6.864 1.00 0.00 O ATOM 552 CB THR A 171 6.044 8.596 8.487 1.00 0.00 C ATOM 553 OG1 THR A 171 6.247 7.995 9.773 1.00 0.00 O ATOM 554 CG2 THR A 171 7.262 9.436 8.127 1.00 0.00 C ATOM 0 H THR A 171 3.782 7.643 8.940 1.00 0.00 H new ATOM 0 HA THR A 171 4.905 10.251 9.254 1.00 0.00 H new ATOM 0 HB THR A 171 5.922 7.831 7.720 1.00 0.00 H new ATOM 0 HG1 THR A 171 5.649 7.225 9.872 1.00 0.00 H new ATOM 0 HG21 THR A 171 8.148 8.802 8.107 1.00 0.00 H new ATOM 0 HG22 THR A 171 7.116 9.887 7.145 1.00 0.00 H new ATOM 0 HG23 THR A 171 7.395 10.222 8.871 1.00 0.00 H new ATOM 562 N LEU A 172 3.686 9.402 6.361 1.00 0.00 N ATOM 563 CA LEU A 172 3.318 9.900 5.044 1.00 0.00 C ATOM 564 C LEU A 172 2.420 11.131 5.168 1.00 0.00 C ATOM 565 O LEU A 172 2.386 11.987 4.279 1.00 0.00 O ATOM 566 CB LEU A 172 2.627 8.787 4.259 1.00 0.00 C ATOM 567 CG LEU A 172 2.391 9.060 2.777 1.00 0.00 C ATOM 568 CD1 LEU A 172 3.661 9.562 2.105 1.00 0.00 C ATOM 569 CD2 LEU A 172 1.910 7.792 2.101 1.00 0.00 C ATOM 0 H LEU A 172 3.273 8.500 6.599 1.00 0.00 H new ATOM 0 HA LEU A 172 4.216 10.203 4.505 1.00 0.00 H new ATOM 0 HB2 LEU A 172 3.225 7.880 4.350 1.00 0.00 H new ATOM 0 HB3 LEU A 172 1.665 8.583 4.728 1.00 0.00 H new ATOM 0 HG LEU A 172 1.631 9.836 2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 172 3.465 9.749 1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 172 3.984 10.487 2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 172 4.445 8.811 2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 172 1.741 7.986 1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 172 2.664 7.012 2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 172 0.979 7.464 2.563 1.00 0.00 H new ATOM 581 N ARG A 173 1.683 11.211 6.271 1.00 0.00 N ATOM 582 CA ARG A 173 0.937 12.417 6.608 1.00 0.00 C ATOM 583 C ARG A 173 1.890 13.559 6.946 1.00 0.00 C ATOM 584 O ARG A 173 1.627 14.715 6.617 1.00 0.00 O ATOM 585 CB ARG A 173 -0.004 12.166 7.788 1.00 0.00 C ATOM 586 CG ARG A 173 -1.225 11.346 7.427 1.00 0.00 C ATOM 587 CD ARG A 173 -2.104 11.078 8.632 1.00 0.00 C ATOM 588 NE ARG A 173 -2.492 12.312 9.313 1.00 0.00 N ATOM 589 CZ ARG A 173 -3.704 12.550 9.811 1.00 0.00 C ATOM 590 NH1 ARG A 173 -4.681 11.654 9.678 1.00 0.00 N ATOM 591 NH2 ARG A 173 -3.937 13.696 10.440 1.00 0.00 N ATOM 0 H ARG A 173 1.587 10.454 6.947 1.00 0.00 H new ATOM 0 HA ARG A 173 0.341 12.694 5.738 1.00 0.00 H new ATOM 0 HB2 ARG A 173 0.546 11.655 8.578 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -0.328 13.124 8.194 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -1.803 11.871 6.666 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -0.909 10.398 6.990 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -2.999 10.542 8.316 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -1.574 10.430 9.330 1.00 0.00 H new ATOM 0 HE ARG A 173 -1.786 13.041 9.414 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -4.504 10.775 9.191 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -5.606 11.847 10.063 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -3.191 14.385 10.538 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -4.862 13.888 10.825 1.00 0.00 H new ATOM 605 N ALA A 174 3.003 13.216 7.588 1.00 0.00 N ATOM 606 CA ALA A 174 3.996 14.206 7.996 1.00 0.00 C ATOM 607 C ALA A 174 4.789 14.717 6.798 1.00 0.00 C ATOM 608 O ALA A 174 5.284 15.847 6.808 1.00 0.00 O ATOM 609 CB ALA A 174 4.932 13.618 9.040 1.00 0.00 C ATOM 0 H ALA A 174 3.241 12.256 7.838 1.00 0.00 H new ATOM 0 HA ALA A 174 3.467 15.052 8.435 1.00 0.00 H new ATOM 0 HB1 ALA A 174 5.666 14.368 9.334 1.00 0.00 H new ATOM 0 HB2 ALA A 174 4.356 13.312 9.914 1.00 0.00 H new ATOM 0 HB3 ALA A 174 5.445 12.752 8.622 1.00 0.00 H new ATOM 615 N GLU A 175 4.925 13.871 5.782 1.00 0.00 N ATOM 616 CA GLU A 175 5.570 14.256 4.534 1.00 0.00 C ATOM 617 C GLU A 175 4.905 15.496 3.947 1.00 0.00 C ATOM 618 O GLU A 175 3.687 15.531 3.760 1.00 0.00 O ATOM 619 CB GLU A 175 5.506 13.108 3.524 1.00 0.00 C ATOM 620 CG GLU A 175 6.326 11.894 3.922 1.00 0.00 C ATOM 621 CD GLU A 175 7.797 12.217 4.074 1.00 0.00 C ATOM 622 OE1 GLU A 175 8.309 12.163 5.207 1.00 0.00 O ATOM 623 OE2 GLU A 175 8.443 12.541 3.054 1.00 0.00 O ATOM 0 H GLU A 175 4.594 12.907 5.801 1.00 0.00 H new ATOM 0 HA GLU A 175 6.614 14.484 4.747 1.00 0.00 H new ATOM 0 HB2 GLU A 175 4.466 12.806 3.397 1.00 0.00 H new ATOM 0 HB3 GLU A 175 5.854 13.468 2.556 1.00 0.00 H new ATOM 0 HG2 GLU A 175 5.945 11.494 4.862 1.00 0.00 H new ATOM 0 HG3 GLU A 175 6.204 11.114 3.171 1.00 0.00 H new ATOM 631 N GLN A 176 5.700 16.510 3.661 1.00 0.00 N ATOM 632 CA GLN A 176 5.167 17.757 3.150 1.00 0.00 C ATOM 633 C GLN A 176 5.169 17.746 1.624 1.00 0.00 C ATOM 634 O GLN A 176 6.180 18.047 0.986 1.00 0.00 O ATOM 635 CB GLN A 176 5.971 18.943 3.690 1.00 0.00 C ATOM 636 CG GLN A 176 5.299 20.286 3.462 1.00 0.00 C ATOM 637 CD GLN A 176 3.879 20.331 4.003 1.00 0.00 C ATOM 638 OE1 GLN A 176 2.925 20.023 3.288 1.00 0.00 O ATOM 639 NE2 GLN A 176 3.734 20.710 5.262 1.00 0.00 N ATOM 0 H GLN A 176 6.714 16.494 3.774 1.00 0.00 H new ATOM 0 HA GLN A 176 4.137 17.864 3.490 1.00 0.00 H new ATOM 0 HB2 GLN A 176 6.134 18.804 4.759 1.00 0.00 H new ATOM 0 HB3 GLN A 176 6.953 18.952 3.216 1.00 0.00 H new ATOM 0 HG2 GLN A 176 5.890 21.069 3.938 1.00 0.00 H new ATOM 0 HG3 GLN A 176 5.284 20.503 2.394 1.00 0.00 H new ATOM 0 HE21 GLN A 176 4.553 20.956 5.818 1.00 0.00 H new ATOM 0 HE22 GLN A 176 2.803 20.756 5.677 1.00 0.00 H new ATOM 648 N ALA A 177 4.032 17.389 1.049 1.00 0.00 N ATOM 649 CA ALA A 177 3.895 17.266 -0.393 1.00 0.00 C ATOM 650 C ALA A 177 2.448 17.486 -0.798 1.00 0.00 C ATOM 651 O ALA A 177 1.559 17.519 0.055 1.00 0.00 O ATOM 652 CB ALA A 177 4.365 15.889 -0.845 1.00 0.00 C ATOM 0 H ALA A 177 3.180 17.177 1.568 1.00 0.00 H new ATOM 0 HA ALA A 177 4.513 18.024 -0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 177 4.259 15.805 -1.927 1.00 0.00 H new ATOM 0 HB2 ALA A 177 5.411 15.754 -0.571 1.00 0.00 H new ATOM 0 HB3 ALA A 177 3.761 15.121 -0.361 1.00 0.00 H new ATOM 658 N SER A 178 2.215 17.642 -2.092 1.00 0.00 N ATOM 659 CA SER A 178 0.862 17.769 -2.605 1.00 0.00 C ATOM 660 C SER A 178 0.135 16.431 -2.495 1.00 0.00 C ATOM 661 O SER A 178 0.780 15.378 -2.454 1.00 0.00 O ATOM 662 CB SER A 178 0.886 18.252 -4.055 1.00 0.00 C ATOM 663 OG SER A 178 1.584 19.481 -4.174 1.00 0.00 O ATOM 0 H SER A 178 2.944 17.684 -2.804 1.00 0.00 H new ATOM 0 HA SER A 178 0.325 18.507 -2.009 1.00 0.00 H new ATOM 0 HB2 SER A 178 1.360 17.499 -4.684 1.00 0.00 H new ATOM 0 HB3 SER A 178 -0.135 18.374 -4.418 1.00 0.00 H new ATOM 0 HG SER A 178 1.586 19.767 -5.111 1.00 0.00 H new ATOM 669 N GLN A 179 -1.189 16.466 -2.441 1.00 0.00 N ATOM 670 CA GLN A 179 -1.971 15.270 -2.143 1.00 0.00 C ATOM 671 C GLN A 179 -1.699 14.154 -3.150 1.00 0.00 C ATOM 672 O GLN A 179 -1.383 13.027 -2.765 1.00 0.00 O ATOM 673 CB GLN A 179 -3.466 15.598 -2.112 1.00 0.00 C ATOM 674 CG GLN A 179 -4.328 14.426 -1.672 1.00 0.00 C ATOM 675 CD GLN A 179 -5.803 14.761 -1.639 1.00 0.00 C ATOM 676 OE1 GLN A 179 -6.511 14.593 -2.629 1.00 0.00 O ATOM 677 NE2 GLN A 179 -6.281 15.235 -0.499 1.00 0.00 N ATOM 0 H GLN A 179 -1.745 17.306 -2.599 1.00 0.00 H new ATOM 0 HA GLN A 179 -1.664 14.916 -1.159 1.00 0.00 H new ATOM 0 HB2 GLN A 179 -3.633 16.437 -1.437 1.00 0.00 H new ATOM 0 HB3 GLN A 179 -3.781 15.920 -3.105 1.00 0.00 H new ATOM 0 HG2 GLN A 179 -4.166 13.588 -2.349 1.00 0.00 H new ATOM 0 HG3 GLN A 179 -4.012 14.101 -0.681 1.00 0.00 H new ATOM 0 HE21 GLN A 179 -5.661 15.360 0.301 1.00 0.00 H new ATOM 0 HE22 GLN A 179 -7.269 15.475 -0.421 1.00 0.00 H new ATOM 686 N GLU A 180 -1.787 14.478 -4.434 1.00 0.00 N ATOM 687 CA GLU A 180 -1.633 13.480 -5.482 1.00 0.00 C ATOM 688 C GLU A 180 -0.199 12.960 -5.526 1.00 0.00 C ATOM 689 O GLU A 180 0.037 11.779 -5.789 1.00 0.00 O ATOM 690 CB GLU A 180 -2.028 14.076 -6.830 1.00 0.00 C ATOM 691 CG GLU A 180 -2.256 13.037 -7.907 1.00 0.00 C ATOM 692 CD GLU A 180 -3.425 12.131 -7.590 1.00 0.00 C ATOM 693 OE1 GLU A 180 -4.567 12.480 -7.959 1.00 0.00 O ATOM 694 OE2 GLU A 180 -3.217 11.071 -6.969 1.00 0.00 O ATOM 0 H GLU A 180 -1.964 15.423 -4.773 1.00 0.00 H new ATOM 0 HA GLU A 180 -2.291 12.639 -5.262 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -2.937 14.664 -6.706 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -1.247 14.762 -7.158 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -2.434 13.537 -8.859 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -1.355 12.436 -8.026 1.00 0.00 H new ATOM 702 N VAL A 181 0.756 13.850 -5.262 1.00 0.00 N ATOM 703 CA VAL A 181 2.158 13.461 -5.169 1.00 0.00 C ATOM 704 C VAL A 181 2.334 12.393 -4.098 1.00 0.00 C ATOM 705 O VAL A 181 3.036 11.396 -4.302 1.00 0.00 O ATOM 706 CB VAL A 181 3.073 14.661 -4.843 1.00 0.00 C ATOM 707 CG1 VAL A 181 4.510 14.203 -4.641 1.00 0.00 C ATOM 708 CG2 VAL A 181 3.001 15.702 -5.946 1.00 0.00 C ATOM 0 H VAL A 181 0.583 14.844 -5.109 1.00 0.00 H new ATOM 0 HA VAL A 181 2.448 13.068 -6.144 1.00 0.00 H new ATOM 0 HB VAL A 181 2.722 15.114 -3.915 1.00 0.00 H new ATOM 0 HG11 VAL A 181 5.138 15.064 -4.412 1.00 0.00 H new ATOM 0 HG12 VAL A 181 4.553 13.493 -3.815 1.00 0.00 H new ATOM 0 HG13 VAL A 181 4.870 13.723 -5.551 1.00 0.00 H new ATOM 0 HG21 VAL A 181 3.652 16.540 -5.698 1.00 0.00 H new ATOM 0 HG22 VAL A 181 3.324 15.257 -6.887 1.00 0.00 H new ATOM 0 HG23 VAL A 181 1.975 16.057 -6.045 1.00 0.00 H new ATOM 718 N LYS A 182 1.682 12.608 -2.960 1.00 0.00 N ATOM 719 CA LYS A 182 1.669 11.630 -1.881 1.00 0.00 C ATOM 720 C LYS A 182 1.127 10.302 -2.384 1.00 0.00 C ATOM 721 O LYS A 182 1.757 9.258 -2.208 1.00 0.00 O ATOM 722 CB LYS A 182 0.805 12.127 -0.718 1.00 0.00 C ATOM 723 CG LYS A 182 1.431 13.258 0.078 1.00 0.00 C ATOM 724 CD LYS A 182 0.391 13.978 0.920 1.00 0.00 C ATOM 725 CE LYS A 182 1.036 14.976 1.866 1.00 0.00 C ATOM 726 NZ LYS A 182 1.393 14.359 3.174 1.00 0.00 N ATOM 0 H LYS A 182 1.153 13.457 -2.762 1.00 0.00 H new ATOM 0 HA LYS A 182 2.692 11.493 -1.530 1.00 0.00 H new ATOM 0 HB2 LYS A 182 -0.156 12.461 -1.110 1.00 0.00 H new ATOM 0 HB3 LYS A 182 0.603 11.292 -0.047 1.00 0.00 H new ATOM 0 HG2 LYS A 182 2.215 12.862 0.724 1.00 0.00 H new ATOM 0 HG3 LYS A 182 1.906 13.966 -0.602 1.00 0.00 H new ATOM 0 HD2 LYS A 182 -0.312 14.495 0.268 1.00 0.00 H new ATOM 0 HD3 LYS A 182 -0.183 13.250 1.493 1.00 0.00 H new ATOM 0 HE2 LYS A 182 1.933 15.386 1.403 1.00 0.00 H new ATOM 0 HE3 LYS A 182 0.354 15.809 2.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 2.147 14.915 3.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 0.556 14.345 3.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 1.725 13.386 3.020 1.00 0.00 H new ATOM 740 N ASN A 183 -0.031 10.361 -3.041 1.00 0.00 N ATOM 741 CA ASN A 183 -0.719 9.167 -3.525 1.00 0.00 C ATOM 742 C ASN A 183 0.181 8.329 -4.420 1.00 0.00 C ATOM 743 O ASN A 183 0.333 7.122 -4.203 1.00 0.00 O ATOM 744 CB ASN A 183 -1.983 9.535 -4.309 1.00 0.00 C ATOM 745 CG ASN A 183 -2.924 10.447 -3.546 1.00 0.00 C ATOM 746 OD1 ASN A 183 -2.967 10.431 -2.319 1.00 0.00 O ATOM 747 ND2 ASN A 183 -3.694 11.239 -4.274 1.00 0.00 N ATOM 0 H ASN A 183 -0.516 11.234 -3.251 1.00 0.00 H new ATOM 0 HA ASN A 183 -0.992 8.586 -2.644 1.00 0.00 H new ATOM 0 HB2 ASN A 183 -1.694 10.021 -5.241 1.00 0.00 H new ATOM 0 HB3 ASN A 183 -2.513 8.621 -4.577 1.00 0.00 H new ATOM 0 HD21 ASN A 183 -4.355 11.868 -3.818 1.00 0.00 H new ATOM 0 HD22 ASN A 183 -3.627 11.221 -5.292 1.00 0.00 H new ATOM 754 N ALA A 184 0.785 8.971 -5.415 1.00 0.00 N ATOM 755 CA ALA A 184 1.626 8.268 -6.377 1.00 0.00 C ATOM 756 C ALA A 184 2.829 7.640 -5.689 1.00 0.00 C ATOM 757 O ALA A 184 3.203 6.503 -5.985 1.00 0.00 O ATOM 758 CB ALA A 184 2.074 9.212 -7.485 1.00 0.00 C ATOM 0 H ALA A 184 0.708 9.975 -5.576 1.00 0.00 H new ATOM 0 HA ALA A 184 1.036 7.468 -6.823 1.00 0.00 H new ATOM 0 HB1 ALA A 184 2.701 8.670 -8.193 1.00 0.00 H new ATOM 0 HB2 ALA A 184 1.200 9.607 -8.002 1.00 0.00 H new ATOM 0 HB3 ALA A 184 2.643 10.035 -7.053 1.00 0.00 H new ATOM 764 N ALA A 185 3.416 8.377 -4.752 1.00 0.00 N ATOM 765 CA ALA A 185 4.561 7.891 -3.998 1.00 0.00 C ATOM 766 C ALA A 185 4.180 6.680 -3.156 1.00 0.00 C ATOM 767 O ALA A 185 4.919 5.702 -3.097 1.00 0.00 O ATOM 768 CB ALA A 185 5.116 8.995 -3.111 1.00 0.00 C ATOM 0 H ALA A 185 3.114 9.317 -4.497 1.00 0.00 H new ATOM 0 HA ALA A 185 5.332 7.587 -4.706 1.00 0.00 H new ATOM 0 HB1 ALA A 185 5.972 8.617 -2.553 1.00 0.00 H new ATOM 0 HB2 ALA A 185 5.429 9.836 -3.730 1.00 0.00 H new ATOM 0 HB3 ALA A 185 4.345 9.324 -2.414 1.00 0.00 H new ATOM 774 N THR A 186 3.014 6.755 -2.525 1.00 0.00 N ATOM 775 CA THR A 186 2.517 5.681 -1.670 1.00 0.00 C ATOM 776 C THR A 186 2.487 4.353 -2.414 1.00 0.00 C ATOM 777 O THR A 186 2.951 3.333 -1.909 1.00 0.00 O ATOM 778 CB THR A 186 1.094 5.993 -1.187 1.00 0.00 C ATOM 779 OG1 THR A 186 1.024 7.327 -0.689 1.00 0.00 O ATOM 780 CG2 THR A 186 0.658 5.029 -0.099 1.00 0.00 C ATOM 0 H THR A 186 2.388 7.558 -2.590 1.00 0.00 H new ATOM 0 HA THR A 186 3.195 5.606 -0.820 1.00 0.00 H new ATOM 0 HB THR A 186 0.424 5.883 -2.040 1.00 0.00 H new ATOM 0 HG1 THR A 186 0.957 7.953 -1.440 1.00 0.00 H new ATOM 0 HG21 THR A 186 -0.354 5.276 0.222 1.00 0.00 H new ATOM 0 HG22 THR A 186 0.677 4.010 -0.486 1.00 0.00 H new ATOM 0 HG23 THR A 186 1.337 5.107 0.750 1.00 0.00 H new ATOM 788 N GLU A 187 1.947 4.392 -3.625 1.00 0.00 N ATOM 789 CA GLU A 187 1.814 3.208 -4.461 1.00 0.00 C ATOM 790 C GLU A 187 3.151 2.508 -4.646 1.00 0.00 C ATOM 791 O GLU A 187 3.235 1.285 -4.587 1.00 0.00 O ATOM 792 CB GLU A 187 1.238 3.614 -5.814 1.00 0.00 C ATOM 793 CG GLU A 187 -0.218 4.044 -5.734 1.00 0.00 C ATOM 794 CD GLU A 187 -1.160 2.862 -5.796 1.00 0.00 C ATOM 795 OE1 GLU A 187 -1.239 2.106 -4.809 1.00 0.00 O ATOM 796 OE2 GLU A 187 -1.827 2.690 -6.835 1.00 0.00 O ATOM 0 H GLU A 187 1.589 5.245 -4.055 1.00 0.00 H new ATOM 0 HA GLU A 187 1.141 2.506 -3.969 1.00 0.00 H new ATOM 0 HB2 GLU A 187 1.831 4.431 -6.225 1.00 0.00 H new ATOM 0 HB3 GLU A 187 1.327 2.777 -6.507 1.00 0.00 H new ATOM 0 HG2 GLU A 187 -0.384 4.592 -4.807 1.00 0.00 H new ATOM 0 HG3 GLU A 187 -0.440 4.728 -6.553 1.00 0.00 H new ATOM 804 N THR A 188 4.198 3.290 -4.843 1.00 0.00 N ATOM 805 CA THR A 188 5.507 2.737 -5.083 1.00 0.00 C ATOM 806 C THR A 188 6.216 2.391 -3.772 1.00 0.00 C ATOM 807 O THR A 188 6.755 1.296 -3.622 1.00 0.00 O ATOM 808 CB THR A 188 6.356 3.726 -5.890 1.00 0.00 C ATOM 809 OG1 THR A 188 5.505 4.499 -6.750 1.00 0.00 O ATOM 810 CG2 THR A 188 7.360 2.979 -6.734 1.00 0.00 C ATOM 0 H THR A 188 4.161 4.309 -4.840 1.00 0.00 H new ATOM 0 HA THR A 188 5.382 1.816 -5.653 1.00 0.00 H new ATOM 0 HB THR A 188 6.883 4.384 -5.199 1.00 0.00 H new ATOM 0 HG1 THR A 188 6.048 5.132 -7.264 1.00 0.00 H new ATOM 0 HG21 THR A 188 7.958 3.691 -7.303 1.00 0.00 H new ATOM 0 HG22 THR A 188 8.013 2.391 -6.088 1.00 0.00 H new ATOM 0 HG23 THR A 188 6.835 2.315 -7.421 1.00 0.00 H new ATOM 818 N LEU A 189 6.186 3.320 -2.818 1.00 0.00 N ATOM 819 CA LEU A 189 6.880 3.147 -1.541 1.00 0.00 C ATOM 820 C LEU A 189 6.344 1.948 -0.768 1.00 0.00 C ATOM 821 O LEU A 189 7.103 1.239 -0.111 1.00 0.00 O ATOM 822 CB LEU A 189 6.742 4.408 -0.687 1.00 0.00 C ATOM 823 CG LEU A 189 7.398 5.664 -1.261 1.00 0.00 C ATOM 824 CD1 LEU A 189 7.071 6.871 -0.395 1.00 0.00 C ATOM 825 CD2 LEU A 189 8.905 5.477 -1.367 1.00 0.00 C ATOM 0 H LEU A 189 5.686 4.205 -2.905 1.00 0.00 H new ATOM 0 HA LEU A 189 7.932 2.968 -1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 189 5.682 4.609 -0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 189 7.172 4.210 0.295 1.00 0.00 H new ATOM 0 HG LEU A 189 7.002 5.837 -2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 189 7.544 7.759 -0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 189 5.991 7.015 -0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 189 7.443 6.705 0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 189 9.356 6.381 -1.777 1.00 0.00 H new ATOM 0 HD22 LEU A 189 9.318 5.283 -0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 189 9.122 4.633 -2.022 1.00 0.00 H new ATOM 837 N LEU A 190 5.037 1.726 -0.856 1.00 0.00 N ATOM 838 CA LEU A 190 4.394 0.619 -0.154 1.00 0.00 C ATOM 839 C LEU A 190 5.002 -0.712 -0.576 1.00 0.00 C ATOM 840 O LEU A 190 5.291 -1.569 0.256 1.00 0.00 O ATOM 841 CB LEU A 190 2.894 0.606 -0.447 1.00 0.00 C ATOM 842 CG LEU A 190 2.094 -0.436 0.328 1.00 0.00 C ATOM 843 CD1 LEU A 190 2.078 -0.094 1.808 1.00 0.00 C ATOM 844 CD2 LEU A 190 0.682 -0.534 -0.222 1.00 0.00 C ATOM 0 H LEU A 190 4.400 2.300 -1.408 1.00 0.00 H new ATOM 0 HA LEU A 190 4.554 0.759 0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 190 2.487 1.593 -0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 190 2.749 0.434 -1.513 1.00 0.00 H new ATOM 0 HG LEU A 190 2.573 -1.408 0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 190 1.504 -0.846 2.349 1.00 0.00 H new ATOM 0 HD12 LEU A 190 3.099 -0.075 2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 190 1.619 0.885 1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 190 0.123 -1.282 0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 190 0.188 0.433 -0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 190 0.720 -0.824 -1.272 1.00 0.00 H new ATOM 856 N VAL A 191 5.188 -0.869 -1.875 1.00 0.00 N ATOM 857 CA VAL A 191 5.730 -2.095 -2.432 1.00 0.00 C ATOM 858 C VAL A 191 7.248 -2.138 -2.263 1.00 0.00 C ATOM 859 O VAL A 191 7.828 -3.188 -1.989 1.00 0.00 O ATOM 860 CB VAL A 191 5.364 -2.216 -3.930 1.00 0.00 C ATOM 861 CG1 VAL A 191 5.817 -3.546 -4.505 1.00 0.00 C ATOM 862 CG2 VAL A 191 3.866 -2.034 -4.131 1.00 0.00 C ATOM 0 H VAL A 191 4.969 -0.155 -2.569 1.00 0.00 H new ATOM 0 HA VAL A 191 5.293 -2.935 -1.892 1.00 0.00 H new ATOM 0 HB VAL A 191 5.888 -1.424 -4.464 1.00 0.00 H new ATOM 0 HG11 VAL A 191 5.544 -3.598 -5.559 1.00 0.00 H new ATOM 0 HG12 VAL A 191 6.899 -3.636 -4.405 1.00 0.00 H new ATOM 0 HG13 VAL A 191 5.334 -4.360 -3.964 1.00 0.00 H new ATOM 0 HG21 VAL A 191 3.628 -2.122 -5.191 1.00 0.00 H new ATOM 0 HG22 VAL A 191 3.328 -2.801 -3.573 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.568 -1.049 -3.773 1.00 0.00 H new ATOM 872 N GLN A 192 7.873 -0.976 -2.398 1.00 0.00 N ATOM 873 CA GLN A 192 9.321 -0.854 -2.374 1.00 0.00 C ATOM 874 C GLN A 192 9.901 -1.124 -0.985 1.00 0.00 C ATOM 875 O GLN A 192 10.968 -1.726 -0.863 1.00 0.00 O ATOM 876 CB GLN A 192 9.704 0.553 -2.840 1.00 0.00 C ATOM 877 CG GLN A 192 11.194 0.782 -2.961 1.00 0.00 C ATOM 878 CD GLN A 192 11.534 2.207 -3.356 1.00 0.00 C ATOM 879 OE1 GLN A 192 11.632 2.530 -4.542 1.00 0.00 O ATOM 880 NE2 GLN A 192 11.711 3.070 -2.366 1.00 0.00 N ATOM 0 H GLN A 192 7.386 -0.089 -2.528 1.00 0.00 H new ATOM 0 HA GLN A 192 9.739 -1.605 -3.044 1.00 0.00 H new ATOM 0 HB2 GLN A 192 9.239 0.742 -3.807 1.00 0.00 H new ATOM 0 HB3 GLN A 192 9.292 1.280 -2.140 1.00 0.00 H new ATOM 0 HG2 GLN A 192 11.672 0.548 -2.010 1.00 0.00 H new ATOM 0 HG3 GLN A 192 11.605 0.096 -3.701 1.00 0.00 H new ATOM 0 HE21 GLN A 192 11.621 2.761 -1.398 1.00 0.00 H new ATOM 0 HE22 GLN A 192 11.938 4.043 -2.572 1.00 0.00 H new ATOM 889 N ASN A 193 9.207 -0.683 0.058 1.00 0.00 N ATOM 890 CA ASN A 193 9.728 -0.815 1.420 1.00 0.00 C ATOM 891 C ASN A 193 9.233 -2.097 2.082 1.00 0.00 C ATOM 892 O ASN A 193 9.477 -2.327 3.269 1.00 0.00 O ATOM 893 CB ASN A 193 9.337 0.388 2.285 1.00 0.00 C ATOM 894 CG ASN A 193 9.834 1.716 1.745 1.00 0.00 C ATOM 895 OD1 ASN A 193 10.853 1.788 1.057 1.00 0.00 O ATOM 896 ND2 ASN A 193 9.123 2.785 2.072 1.00 0.00 N ATOM 0 H ASN A 193 8.293 -0.236 -0.008 1.00 0.00 H new ATOM 0 HA ASN A 193 10.814 -0.855 1.341 1.00 0.00 H new ATOM 0 HB2 ASN A 193 8.251 0.425 2.371 1.00 0.00 H new ATOM 0 HB3 ASN A 193 9.732 0.244 3.291 1.00 0.00 H new ATOM 0 HD21 ASN A 193 9.414 3.709 1.752 1.00 0.00 H new ATOM 0 HD22 ASN A 193 8.284 2.684 2.644 1.00 0.00 H new ATOM 903 N ALA A 194 8.540 -2.929 1.320 1.00 0.00 N ATOM 904 CA ALA A 194 8.042 -4.197 1.835 1.00 0.00 C ATOM 905 C ALA A 194 9.107 -5.283 1.711 1.00 0.00 C ATOM 906 O ALA A 194 10.104 -5.107 1.009 1.00 0.00 O ATOM 907 CB ALA A 194 6.775 -4.606 1.097 1.00 0.00 C ATOM 0 H ALA A 194 8.309 -2.750 0.343 1.00 0.00 H new ATOM 0 HA ALA A 194 7.804 -4.071 2.891 1.00 0.00 H new ATOM 0 HB1 ALA A 194 6.414 -5.555 1.492 1.00 0.00 H new ATOM 0 HB2 ALA A 194 6.011 -3.841 1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 194 6.992 -4.714 0.034 1.00 0.00 H new ATOM 913 N ASN A 195 8.900 -6.400 2.402 1.00 0.00 N ATOM 914 CA ASN A 195 9.822 -7.529 2.305 1.00 0.00 C ATOM 915 C ASN A 195 9.722 -8.158 0.924 1.00 0.00 C ATOM 916 O ASN A 195 8.677 -8.049 0.285 1.00 0.00 O ATOM 917 CB ASN A 195 9.528 -8.603 3.363 1.00 0.00 C ATOM 918 CG ASN A 195 9.694 -8.112 4.783 1.00 0.00 C ATOM 919 OD1 ASN A 195 10.799 -8.104 5.321 1.00 0.00 O ATOM 920 ND2 ASN A 195 8.593 -7.741 5.415 1.00 0.00 N ATOM 0 H ASN A 195 8.110 -6.548 3.030 1.00 0.00 H new ATOM 0 HA ASN A 195 10.827 -7.144 2.478 1.00 0.00 H new ATOM 0 HB2 ASN A 195 8.508 -8.964 3.229 1.00 0.00 H new ATOM 0 HB3 ASN A 195 10.191 -9.453 3.201 1.00 0.00 H new ATOM 0 HD21 ASN A 195 8.642 -7.433 6.386 1.00 0.00 H new ATOM 0 HD22 ASN A 195 7.695 -7.763 4.931 1.00 0.00 H new ATOM 927 N PRO A 196 10.784 -8.821 0.438 1.00 0.00 N ATOM 928 CA PRO A 196 10.766 -9.486 -0.870 1.00 0.00 C ATOM 929 C PRO A 196 9.547 -10.391 -1.018 1.00 0.00 C ATOM 930 O PRO A 196 8.877 -10.401 -2.053 1.00 0.00 O ATOM 931 CB PRO A 196 12.062 -10.314 -0.883 1.00 0.00 C ATOM 932 CG PRO A 196 12.594 -10.260 0.513 1.00 0.00 C ATOM 933 CD PRO A 196 12.081 -8.981 1.106 1.00 0.00 C ATOM 0 HA PRO A 196 10.707 -8.775 -1.694 1.00 0.00 H new ATOM 0 HB2 PRO A 196 11.866 -11.342 -1.187 1.00 0.00 H new ATOM 0 HB3 PRO A 196 12.781 -9.903 -1.592 1.00 0.00 H new ATOM 0 HG2 PRO A 196 12.257 -11.120 1.092 1.00 0.00 H new ATOM 0 HG3 PRO A 196 13.684 -10.281 0.516 1.00 0.00 H new ATOM 0 HD2 PRO A 196 11.975 -9.049 2.189 1.00 0.00 H new ATOM 0 HD3 PRO A 196 12.748 -8.143 0.904 1.00 0.00 H new ATOM 941 N ASP A 197 9.251 -11.118 0.051 1.00 0.00 N ATOM 942 CA ASP A 197 8.096 -12.006 0.094 1.00 0.00 C ATOM 943 C ASP A 197 6.798 -11.217 -0.064 1.00 0.00 C ATOM 944 O ASP A 197 5.992 -11.503 -0.946 1.00 0.00 O ATOM 945 CB ASP A 197 8.083 -12.768 1.421 1.00 0.00 C ATOM 946 CG ASP A 197 6.905 -13.712 1.550 1.00 0.00 C ATOM 947 OD1 ASP A 197 5.897 -13.330 2.175 1.00 0.00 O ATOM 948 OD2 ASP A 197 6.992 -14.850 1.038 1.00 0.00 O ATOM 0 H ASP A 197 9.802 -11.110 0.909 1.00 0.00 H new ATOM 0 HA ASP A 197 8.170 -12.713 -0.732 1.00 0.00 H new ATOM 0 HB2 ASP A 197 9.009 -13.336 1.517 1.00 0.00 H new ATOM 0 HB3 ASP A 197 8.061 -12.053 2.244 1.00 0.00 H new ATOM 954 N CYS A 198 6.629 -10.197 0.772 1.00 0.00 N ATOM 955 CA CYS A 198 5.418 -9.387 0.770 1.00 0.00 C ATOM 956 C CYS A 198 5.241 -8.680 -0.570 1.00 0.00 C ATOM 957 O CYS A 198 4.143 -8.645 -1.122 1.00 0.00 O ATOM 958 CB CYS A 198 5.482 -8.360 1.901 1.00 0.00 C ATOM 959 SG CYS A 198 5.993 -9.056 3.491 1.00 0.00 S ATOM 0 H CYS A 198 7.322 -9.911 1.464 1.00 0.00 H new ATOM 0 HA CYS A 198 4.561 -10.043 0.926 1.00 0.00 H new ATOM 0 HB2 CYS A 198 6.177 -7.568 1.621 1.00 0.00 H new ATOM 0 HB3 CYS A 198 4.502 -7.898 2.016 1.00 0.00 H new ATOM 0 HG CYS A 198 4.943 -9.286 4.222 1.00 0.00 H new ATOM 965 N LYS A 199 6.336 -8.137 -1.092 1.00 0.00 N ATOM 966 CA LYS A 199 6.327 -7.434 -2.370 1.00 0.00 C ATOM 967 C LYS A 199 5.866 -8.353 -3.500 1.00 0.00 C ATOM 968 O LYS A 199 5.141 -7.930 -4.403 1.00 0.00 O ATOM 969 CB LYS A 199 7.724 -6.872 -2.652 1.00 0.00 C ATOM 970 CG LYS A 199 7.866 -6.204 -4.009 1.00 0.00 C ATOM 971 CD LYS A 199 9.079 -5.285 -4.060 1.00 0.00 C ATOM 972 CE LYS A 199 10.362 -6.013 -3.700 1.00 0.00 C ATOM 973 NZ LYS A 199 10.716 -7.054 -4.703 1.00 0.00 N ATOM 0 H LYS A 199 7.251 -8.171 -0.643 1.00 0.00 H new ATOM 0 HA LYS A 199 5.617 -6.609 -2.315 1.00 0.00 H new ATOM 0 HB2 LYS A 199 7.976 -6.149 -1.876 1.00 0.00 H new ATOM 0 HB3 LYS A 199 8.450 -7.682 -2.581 1.00 0.00 H new ATOM 0 HG2 LYS A 199 7.955 -6.967 -4.783 1.00 0.00 H new ATOM 0 HG3 LYS A 199 6.965 -5.630 -4.228 1.00 0.00 H new ATOM 0 HD2 LYS A 199 9.171 -4.862 -5.060 1.00 0.00 H new ATOM 0 HD3 LYS A 199 8.931 -4.451 -3.374 1.00 0.00 H new ATOM 0 HE2 LYS A 199 11.177 -5.293 -3.622 1.00 0.00 H new ATOM 0 HE3 LYS A 199 10.252 -6.477 -2.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 11.624 -7.490 -4.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 9.975 -7.783 -4.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 10.797 -6.617 -5.643 1.00 0.00 H new ATOM 987 N THR A 200 6.270 -9.612 -3.428 1.00 0.00 N ATOM 988 CA THR A 200 5.847 -10.609 -4.401 1.00 0.00 C ATOM 989 C THR A 200 4.338 -10.843 -4.307 1.00 0.00 C ATOM 990 O THR A 200 3.654 -11.001 -5.319 1.00 0.00 O ATOM 991 CB THR A 200 6.594 -11.940 -4.180 1.00 0.00 C ATOM 992 OG1 THR A 200 8.012 -11.720 -4.236 1.00 0.00 O ATOM 993 CG2 THR A 200 6.202 -12.968 -5.228 1.00 0.00 C ATOM 0 H THR A 200 6.893 -9.969 -2.703 1.00 0.00 H new ATOM 0 HA THR A 200 6.088 -10.232 -5.395 1.00 0.00 H new ATOM 0 HB THR A 200 6.318 -12.323 -3.197 1.00 0.00 H new ATOM 0 HG1 THR A 200 8.330 -11.415 -3.361 1.00 0.00 H new ATOM 0 HG21 THR A 200 6.744 -13.896 -5.048 1.00 0.00 H new ATOM 0 HG22 THR A 200 5.130 -13.156 -5.170 1.00 0.00 H new ATOM 0 HG23 THR A 200 6.450 -12.590 -6.220 1.00 0.00 H new ATOM 1001 N ILE A 201 3.825 -10.843 -3.083 1.00 0.00 N ATOM 1002 CA ILE A 201 2.401 -11.040 -2.845 1.00 0.00 C ATOM 1003 C ILE A 201 1.604 -9.818 -3.307 1.00 0.00 C ATOM 1004 O ILE A 201 0.498 -9.946 -3.834 1.00 0.00 O ATOM 1005 CB ILE A 201 2.119 -11.319 -1.352 1.00 0.00 C ATOM 1006 CG1 ILE A 201 2.943 -12.521 -0.879 1.00 0.00 C ATOM 1007 CG2 ILE A 201 0.633 -11.569 -1.125 1.00 0.00 C ATOM 1008 CD1 ILE A 201 2.789 -12.825 0.596 1.00 0.00 C ATOM 0 H ILE A 201 4.377 -10.708 -2.236 1.00 0.00 H new ATOM 0 HA ILE A 201 2.085 -11.908 -3.423 1.00 0.00 H new ATOM 0 HB ILE A 201 2.410 -10.443 -0.772 1.00 0.00 H new ATOM 0 HG12 ILE A 201 2.650 -13.399 -1.454 1.00 0.00 H new ATOM 0 HG13 ILE A 201 3.995 -12.336 -1.094 1.00 0.00 H new ATOM 0 HG21 ILE A 201 0.454 -11.764 -0.068 1.00 0.00 H new ATOM 0 HG22 ILE A 201 0.065 -10.691 -1.434 1.00 0.00 H new ATOM 0 HG23 ILE A 201 0.315 -12.431 -1.711 1.00 0.00 H new ATOM 0 HD11 ILE A 201 3.402 -13.688 0.856 1.00 0.00 H new ATOM 0 HD12 ILE A 201 3.110 -11.963 1.181 1.00 0.00 H new ATOM 0 HD13 ILE A 201 1.744 -13.043 0.815 1.00 0.00 H new ATOM 1020 N LEU A 202 2.183 -8.636 -3.123 1.00 0.00 N ATOM 1021 CA LEU A 202 1.558 -7.390 -3.560 1.00 0.00 C ATOM 1022 C LEU A 202 1.370 -7.388 -5.077 1.00 0.00 C ATOM 1023 O LEU A 202 0.382 -6.865 -5.595 1.00 0.00 O ATOM 1024 CB LEU A 202 2.415 -6.195 -3.127 1.00 0.00 C ATOM 1025 CG LEU A 202 2.657 -6.085 -1.618 1.00 0.00 C ATOM 1026 CD1 LEU A 202 3.653 -4.980 -1.313 1.00 0.00 C ATOM 1027 CD2 LEU A 202 1.348 -5.838 -0.880 1.00 0.00 C ATOM 0 H LEU A 202 3.089 -8.513 -2.672 1.00 0.00 H new ATOM 0 HA LEU A 202 0.576 -7.308 -3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 202 3.380 -6.257 -3.631 1.00 0.00 H new ATOM 0 HB3 LEU A 202 1.934 -5.279 -3.470 1.00 0.00 H new ATOM 0 HG LEU A 202 3.075 -7.030 -1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 202 3.810 -4.919 -0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 202 4.600 -5.198 -1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 202 3.264 -4.029 -1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 202 1.542 -5.763 0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 202 0.901 -4.909 -1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.663 -6.665 -1.067 1.00 0.00 H new ATOM 1039 N LYS A 203 2.322 -7.994 -5.778 1.00 0.00 N ATOM 1040 CA LYS A 203 2.249 -8.130 -7.229 1.00 0.00 C ATOM 1041 C LYS A 203 1.171 -9.133 -7.630 1.00 0.00 C ATOM 1042 O LYS A 203 0.620 -9.059 -8.732 1.00 0.00 O ATOM 1043 CB LYS A 203 3.598 -8.576 -7.800 1.00 0.00 C ATOM 1044 CG LYS A 203 4.691 -7.521 -7.716 1.00 0.00 C ATOM 1045 CD LYS A 203 4.319 -6.269 -8.496 1.00 0.00 C ATOM 1046 CE LYS A 203 5.490 -5.305 -8.593 1.00 0.00 C ATOM 1047 NZ LYS A 203 6.615 -5.883 -9.375 1.00 0.00 N ATOM 0 H LYS A 203 3.159 -8.402 -5.362 1.00 0.00 H new ATOM 0 HA LYS A 203 1.992 -7.153 -7.639 1.00 0.00 H new ATOM 0 HB2 LYS A 203 3.928 -9.468 -7.268 1.00 0.00 H new ATOM 0 HB3 LYS A 203 3.462 -8.860 -8.844 1.00 0.00 H new ATOM 0 HG2 LYS A 203 4.868 -7.261 -6.672 1.00 0.00 H new ATOM 0 HG3 LYS A 203 5.623 -7.930 -8.105 1.00 0.00 H new ATOM 0 HD2 LYS A 203 3.991 -6.547 -9.498 1.00 0.00 H new ATOM 0 HD3 LYS A 203 3.478 -5.774 -8.011 1.00 0.00 H new ATOM 0 HE2 LYS A 203 5.160 -4.378 -9.061 1.00 0.00 H new ATOM 0 HE3 LYS A 203 5.836 -5.051 -7.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 7.244 -5.119 -9.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 7.150 -6.544 -8.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 6.239 -6.390 -10.201 1.00 0.00 H new ATOM 1061 N ALA A 204 0.886 -10.075 -6.737 1.00 0.00 N ATOM 1062 CA ALA A 204 -0.097 -11.116 -7.009 1.00 0.00 C ATOM 1063 C ALA A 204 -1.510 -10.553 -7.008 1.00 0.00 C ATOM 1064 O ALA A 204 -2.394 -11.074 -7.691 1.00 0.00 O ATOM 1065 CB ALA A 204 0.034 -12.251 -6.004 1.00 0.00 C ATOM 0 H ALA A 204 1.323 -10.138 -5.817 1.00 0.00 H new ATOM 0 HA ALA A 204 0.101 -11.514 -8.004 1.00 0.00 H new ATOM 0 HB1 ALA A 204 -0.708 -13.019 -6.223 1.00 0.00 H new ATOM 0 HB2 ALA A 204 1.033 -12.682 -6.070 1.00 0.00 H new ATOM 0 HB3 ALA A 204 -0.129 -11.866 -4.997 1.00 0.00 H new ATOM 1071 N LEU A 205 -1.727 -9.502 -6.233 1.00 0.00 N ATOM 1072 CA LEU A 205 -2.999 -8.798 -6.258 1.00 0.00 C ATOM 1073 C LEU A 205 -3.174 -8.093 -7.596 1.00 0.00 C ATOM 1074 O LEU A 205 -4.095 -8.385 -8.362 1.00 0.00 O ATOM 1075 CB LEU A 205 -3.076 -7.748 -5.146 1.00 0.00 C ATOM 1076 CG LEU A 205 -3.674 -8.189 -3.803 1.00 0.00 C ATOM 1077 CD1 LEU A 205 -4.978 -8.936 -4.003 1.00 0.00 C ATOM 1078 CD2 LEU A 205 -2.693 -9.016 -3.003 1.00 0.00 C ATOM 0 H LEU A 205 -1.042 -9.119 -5.582 1.00 0.00 H new ATOM 0 HA LEU A 205 -3.787 -9.536 -6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 205 -2.068 -7.378 -4.961 1.00 0.00 H new ATOM 0 HB3 LEU A 205 -3.662 -6.907 -5.516 1.00 0.00 H new ATOM 0 HG LEU A 205 -3.888 -7.287 -3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 205 -5.378 -9.236 -3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 205 -5.695 -8.288 -4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 205 -4.800 -9.822 -4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 205 -3.151 -9.310 -2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 205 -2.422 -9.908 -3.569 1.00 0.00 H new ATOM 0 HD23 LEU A 205 -1.798 -8.427 -2.804 1.00 0.00 H new ATOM 1090 N GLY A 206 -2.249 -7.189 -7.880 1.00 0.00 N ATOM 1091 CA GLY A 206 -2.383 -6.319 -9.023 1.00 0.00 C ATOM 1092 C GLY A 206 -2.915 -4.956 -8.620 1.00 0.00 C ATOM 1093 O GLY A 206 -3.481 -4.811 -7.535 1.00 0.00 O ATOM 0 H GLY A 206 -1.401 -7.044 -7.332 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -1.415 -6.204 -9.511 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -3.055 -6.773 -9.751 1.00 0.00 H new ATOM 1097 N PRO A 207 -2.755 -3.939 -9.473 1.00 0.00 N ATOM 1098 CA PRO A 207 -3.193 -2.568 -9.171 1.00 0.00 C ATOM 1099 C PRO A 207 -4.716 -2.435 -9.093 1.00 0.00 C ATOM 1100 O PRO A 207 -5.241 -1.401 -8.676 1.00 0.00 O ATOM 1101 CB PRO A 207 -2.637 -1.749 -10.340 1.00 0.00 C ATOM 1102 CG PRO A 207 -2.457 -2.727 -11.449 1.00 0.00 C ATOM 1103 CD PRO A 207 -2.122 -4.039 -10.798 1.00 0.00 C ATOM 0 HA PRO A 207 -2.838 -2.237 -8.195 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -3.324 -0.952 -10.625 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -1.692 -1.275 -10.075 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -3.365 -2.809 -12.047 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -1.660 -2.411 -12.122 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -2.515 -4.881 -11.368 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -1.045 -4.183 -10.718 1.00 0.00 H new ATOM 1111 N ALA A 208 -5.422 -3.490 -9.481 1.00 0.00 N ATOM 1112 CA ALA A 208 -6.879 -3.487 -9.461 1.00 0.00 C ATOM 1113 C ALA A 208 -7.416 -3.798 -8.064 1.00 0.00 C ATOM 1114 O ALA A 208 -8.618 -3.706 -7.814 1.00 0.00 O ATOM 1115 CB ALA A 208 -7.421 -4.482 -10.475 1.00 0.00 C ATOM 0 H ALA A 208 -5.008 -4.360 -9.814 1.00 0.00 H new ATOM 0 HA ALA A 208 -7.219 -2.487 -9.732 1.00 0.00 H new ATOM 0 HB1 ALA A 208 -8.511 -4.470 -10.450 1.00 0.00 H new ATOM 0 HB2 ALA A 208 -7.078 -4.208 -11.473 1.00 0.00 H new ATOM 0 HB3 ALA A 208 -7.064 -5.482 -10.230 1.00 0.00 H new ATOM 1121 N ALA A 209 -6.518 -4.167 -7.158 1.00 0.00 N ATOM 1122 CA ALA A 209 -6.894 -4.479 -5.784 1.00 0.00 C ATOM 1123 C ALA A 209 -6.679 -3.271 -4.879 1.00 0.00 C ATOM 1124 O ALA A 209 -6.042 -2.293 -5.275 1.00 0.00 O ATOM 1125 CB ALA A 209 -6.094 -5.671 -5.281 1.00 0.00 C ATOM 0 H ALA A 209 -5.521 -4.258 -7.351 1.00 0.00 H new ATOM 0 HA ALA A 209 -7.954 -4.734 -5.763 1.00 0.00 H new ATOM 0 HB1 ALA A 209 -6.382 -5.896 -4.254 1.00 0.00 H new ATOM 0 HB2 ALA A 209 -6.295 -6.537 -5.912 1.00 0.00 H new ATOM 0 HB3 ALA A 209 -5.030 -5.436 -5.316 1.00 0.00 H new ATOM 1131 N THR A 210 -7.200 -3.346 -3.661 1.00 0.00 N ATOM 1132 CA THR A 210 -7.146 -2.216 -2.747 1.00 0.00 C ATOM 1133 C THR A 210 -6.265 -2.526 -1.535 1.00 0.00 C ATOM 1134 O THR A 210 -5.681 -3.608 -1.438 1.00 0.00 O ATOM 1135 CB THR A 210 -8.561 -1.787 -2.285 1.00 0.00 C ATOM 1136 OG1 THR A 210 -8.496 -0.546 -1.569 1.00 0.00 O ATOM 1137 CG2 THR A 210 -9.196 -2.844 -1.397 1.00 0.00 C ATOM 0 H THR A 210 -7.662 -4.174 -3.286 1.00 0.00 H new ATOM 0 HA THR A 210 -6.702 -1.384 -3.294 1.00 0.00 H new ATOM 0 HB THR A 210 -9.175 -1.665 -3.177 1.00 0.00 H new ATOM 0 HG1 THR A 210 -7.867 0.057 -2.017 1.00 0.00 H new ATOM 0 HG21 THR A 210 -10.188 -2.513 -1.090 1.00 0.00 H new ATOM 0 HG22 THR A 210 -9.281 -3.780 -1.949 1.00 0.00 H new ATOM 0 HG23 THR A 210 -8.575 -2.998 -0.514 1.00 0.00 H new ATOM 1145 N LEU A 211 -6.190 -1.577 -0.611 1.00 0.00 N ATOM 1146 CA LEU A 211 -5.293 -1.662 0.537 1.00 0.00 C ATOM 1147 C LEU A 211 -5.560 -2.906 1.381 1.00 0.00 C ATOM 1148 O LEU A 211 -4.633 -3.644 1.713 1.00 0.00 O ATOM 1149 CB LEU A 211 -5.447 -0.413 1.406 1.00 0.00 C ATOM 1150 CG LEU A 211 -4.552 -0.354 2.644 1.00 0.00 C ATOM 1151 CD1 LEU A 211 -3.086 -0.254 2.251 1.00 0.00 C ATOM 1152 CD2 LEU A 211 -4.957 0.819 3.518 1.00 0.00 C ATOM 0 H LEU A 211 -6.750 -0.725 -0.635 1.00 0.00 H new ATOM 0 HA LEU A 211 -4.275 -1.731 0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -5.243 0.463 0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -6.486 -0.342 1.727 1.00 0.00 H new ATOM 0 HG LEU A 211 -4.681 -1.276 3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -2.470 -0.213 3.150 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -2.808 -1.126 1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -2.928 0.649 1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -4.315 0.855 4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -4.852 1.746 2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -5.995 0.699 3.830 1.00 0.00 H new ATOM 1164 N GLU A 212 -6.825 -3.146 1.704 1.00 0.00 N ATOM 1165 CA GLU A 212 -7.180 -4.208 2.634 1.00 0.00 C ATOM 1166 C GLU A 212 -6.891 -5.586 2.040 1.00 0.00 C ATOM 1167 O GLU A 212 -6.635 -6.542 2.773 1.00 0.00 O ATOM 1168 CB GLU A 212 -8.647 -4.087 3.045 1.00 0.00 C ATOM 1169 CG GLU A 212 -9.010 -4.958 4.233 1.00 0.00 C ATOM 1170 CD GLU A 212 -10.383 -4.654 4.793 1.00 0.00 C ATOM 1171 OE1 GLU A 212 -10.487 -3.779 5.679 1.00 0.00 O ATOM 1172 OE2 GLU A 212 -11.369 -5.278 4.350 1.00 0.00 O ATOM 0 H GLU A 212 -7.619 -2.621 1.337 1.00 0.00 H new ATOM 0 HA GLU A 212 -6.561 -4.099 3.525 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -8.865 -3.047 3.286 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -9.278 -4.357 2.198 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -8.970 -6.005 3.934 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -8.266 -4.821 5.017 1.00 0.00 H new ATOM 1180 N GLU A 213 -6.885 -5.677 0.711 1.00 0.00 N ATOM 1181 CA GLU A 213 -6.576 -6.927 0.047 1.00 0.00 C ATOM 1182 C GLU A 213 -5.134 -7.285 0.342 1.00 0.00 C ATOM 1183 O GLU A 213 -4.807 -8.437 0.595 1.00 0.00 O ATOM 1184 CB GLU A 213 -6.783 -6.808 -1.465 1.00 0.00 C ATOM 1185 CG GLU A 213 -8.112 -6.186 -1.864 1.00 0.00 C ATOM 1186 CD GLU A 213 -9.309 -6.905 -1.279 1.00 0.00 C ATOM 1187 OE1 GLU A 213 -9.731 -7.928 -1.850 1.00 0.00 O ATOM 1188 OE2 GLU A 213 -9.849 -6.432 -0.258 1.00 0.00 O ATOM 0 H GLU A 213 -7.090 -4.901 0.082 1.00 0.00 H new ATOM 0 HA GLU A 213 -7.243 -7.706 0.417 1.00 0.00 H new ATOM 0 HB2 GLU A 213 -5.974 -6.211 -1.885 1.00 0.00 H new ATOM 0 HB3 GLU A 213 -6.711 -7.801 -1.910 1.00 0.00 H new ATOM 0 HG2 GLU A 213 -8.129 -5.145 -1.542 1.00 0.00 H new ATOM 0 HG3 GLU A 213 -8.193 -6.185 -2.951 1.00 0.00 H new ATOM 1196 N MET A 214 -4.288 -6.261 0.342 1.00 0.00 N ATOM 1197 CA MET A 214 -2.866 -6.412 0.624 1.00 0.00 C ATOM 1198 C MET A 214 -2.649 -6.794 2.080 1.00 0.00 C ATOM 1199 O MET A 214 -1.845 -7.673 2.394 1.00 0.00 O ATOM 1200 CB MET A 214 -2.132 -5.098 0.353 1.00 0.00 C ATOM 1201 CG MET A 214 -2.481 -4.473 -0.978 1.00 0.00 C ATOM 1202 SD MET A 214 -1.887 -5.440 -2.369 1.00 0.00 S ATOM 1203 CE MET A 214 -2.978 -4.849 -3.650 1.00 0.00 C ATOM 0 H MET A 214 -4.570 -5.301 0.146 1.00 0.00 H new ATOM 0 HA MET A 214 -2.476 -7.197 -0.024 1.00 0.00 H new ATOM 0 HB2 MET A 214 -2.365 -4.391 1.149 1.00 0.00 H new ATOM 0 HB3 MET A 214 -1.058 -5.277 0.390 1.00 0.00 H new ATOM 0 HG2 MET A 214 -3.563 -4.363 -1.052 1.00 0.00 H new ATOM 0 HG3 MET A 214 -2.055 -3.471 -1.028 1.00 0.00 H new ATOM 0 HE1 MET A 214 -2.613 -5.183 -4.621 1.00 0.00 H new ATOM 0 HE2 MET A 214 -3.981 -5.242 -3.484 1.00 0.00 H new ATOM 0 HE3 MET A 214 -3.007 -3.760 -3.629 1.00 0.00 H new ATOM 1213 N MET A 215 -3.381 -6.115 2.960 1.00 0.00 N ATOM 1214 CA MET A 215 -3.239 -6.299 4.401 1.00 0.00 C ATOM 1215 C MET A 215 -3.527 -7.742 4.793 1.00 0.00 C ATOM 1216 O MET A 215 -2.835 -8.316 5.631 1.00 0.00 O ATOM 1217 CB MET A 215 -4.170 -5.343 5.157 1.00 0.00 C ATOM 1218 CG MET A 215 -3.948 -3.881 4.797 1.00 0.00 C ATOM 1219 SD MET A 215 -5.011 -2.746 5.710 1.00 0.00 S ATOM 1220 CE MET A 215 -4.296 -2.848 7.349 1.00 0.00 C ATOM 0 H MET A 215 -4.085 -5.426 2.696 1.00 0.00 H new ATOM 0 HA MET A 215 -2.209 -6.070 4.674 1.00 0.00 H new ATOM 0 HB2 MET A 215 -5.205 -5.610 4.944 1.00 0.00 H new ATOM 0 HB3 MET A 215 -4.021 -5.473 6.229 1.00 0.00 H new ATOM 0 HG2 MET A 215 -2.906 -3.623 4.987 1.00 0.00 H new ATOM 0 HG3 MET A 215 -4.120 -3.748 3.729 1.00 0.00 H new ATOM 0 HE1 MET A 215 -5.086 -3.015 8.081 1.00 0.00 H new ATOM 0 HE2 MET A 215 -3.587 -3.675 7.386 1.00 0.00 H new ATOM 0 HE3 MET A 215 -3.779 -1.916 7.579 1.00 0.00 H new ATOM 1230 N THR A 216 -4.540 -8.322 4.171 1.00 0.00 N ATOM 1231 CA THR A 216 -4.896 -9.708 4.416 1.00 0.00 C ATOM 1232 C THR A 216 -4.053 -10.654 3.553 1.00 0.00 C ATOM 1233 O THR A 216 -3.760 -11.777 3.959 1.00 0.00 O ATOM 1234 CB THR A 216 -6.399 -9.931 4.155 1.00 0.00 C ATOM 1235 OG1 THR A 216 -7.161 -9.044 4.988 1.00 0.00 O ATOM 1236 CG2 THR A 216 -6.809 -11.371 4.435 1.00 0.00 C ATOM 0 H THR A 216 -5.133 -7.850 3.489 1.00 0.00 H new ATOM 0 HA THR A 216 -4.687 -9.932 5.462 1.00 0.00 H new ATOM 0 HB THR A 216 -6.596 -9.725 3.103 1.00 0.00 H new ATOM 0 HG1 THR A 216 -8.117 -9.182 4.824 1.00 0.00 H new ATOM 0 HG21 THR A 216 -7.875 -11.490 4.240 1.00 0.00 H new ATOM 0 HG22 THR A 216 -6.244 -12.042 3.788 1.00 0.00 H new ATOM 0 HG23 THR A 216 -6.602 -11.612 5.478 1.00 0.00 H new ATOM 1244 N ALA A 217 -3.641 -10.189 2.376 1.00 0.00 N ATOM 1245 CA ALA A 217 -2.791 -10.981 1.488 1.00 0.00 C ATOM 1246 C ALA A 217 -1.500 -11.378 2.188 1.00 0.00 C ATOM 1247 O ALA A 217 -1.062 -12.526 2.099 1.00 0.00 O ATOM 1248 CB ALA A 217 -2.476 -10.210 0.215 1.00 0.00 C ATOM 0 H ALA A 217 -3.882 -9.266 2.014 1.00 0.00 H new ATOM 0 HA ALA A 217 -3.337 -11.887 1.223 1.00 0.00 H new ATOM 0 HB1 ALA A 217 -1.843 -10.818 -0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 217 -3.404 -9.973 -0.306 1.00 0.00 H new ATOM 0 HB3 ALA A 217 -1.956 -9.286 0.468 1.00 0.00 H new ATOM 1254 N CYS A 218 -0.919 -10.425 2.910 1.00 0.00 N ATOM 1255 CA CYS A 218 0.323 -10.651 3.643 1.00 0.00 C ATOM 1256 C CYS A 218 0.093 -11.566 4.850 1.00 0.00 C ATOM 1257 O CYS A 218 1.040 -12.003 5.505 1.00 0.00 O ATOM 1258 CB CYS A 218 0.911 -9.307 4.096 1.00 0.00 C ATOM 1259 SG CYS A 218 2.488 -9.432 4.974 1.00 0.00 S ATOM 0 H CYS A 218 -1.292 -9.480 3.004 1.00 0.00 H new ATOM 0 HA CYS A 218 1.030 -11.147 2.978 1.00 0.00 H new ATOM 0 HB2 CYS A 218 1.047 -8.671 3.221 1.00 0.00 H new ATOM 0 HB3 CYS A 218 0.189 -8.809 4.743 1.00 0.00 H new ATOM 0 HG CYS A 218 2.556 -10.579 5.582 1.00 0.00 H new ATOM 1472 N THR B 2 -2.349 3.869 -2.932 1.00 0.00 N ATOM 1473 CA THR B 2 -2.231 5.331 -2.886 1.00 0.00 C ATOM 1474 C THR B 2 -2.799 5.953 -1.603 1.00 0.00 C ATOM 1475 O THR B 2 -3.826 5.528 -1.069 1.00 0.00 O ATOM 1476 CB THR B 2 -2.897 5.985 -4.124 1.00 0.00 C ATOM 1477 OG1 THR B 2 -3.503 7.227 -3.770 1.00 0.00 O ATOM 1478 CG2 THR B 2 -3.946 5.094 -4.752 1.00 0.00 C ATOM 0 HA THR B 2 -1.161 5.537 -2.893 1.00 0.00 H new ATOM 0 HB THR B 2 -2.103 6.147 -4.853 1.00 0.00 H new ATOM 0 HG1 THR B 2 -4.088 7.525 -4.498 1.00 0.00 H new ATOM 0 HG21 THR B 2 -4.382 5.598 -5.615 1.00 0.00 H new ATOM 0 HG22 THR B 2 -3.485 4.159 -5.072 1.00 0.00 H new ATOM 0 HG23 THR B 2 -4.727 4.882 -4.022 1.00 0.00 H new ATOM 1486 N PHE B 3 -2.071 6.964 -1.123 1.00 0.00 N ATOM 1487 CA PHE B 3 -2.333 7.633 0.151 1.00 0.00 C ATOM 1488 C PHE B 3 -3.776 8.098 0.269 1.00 0.00 C ATOM 1489 O PHE B 3 -4.312 8.141 1.378 1.00 0.00 O ATOM 1490 CB PHE B 3 -1.393 8.828 0.304 1.00 0.00 C ATOM 1491 CG PHE B 3 -1.418 9.450 1.669 1.00 0.00 C ATOM 1492 CD1 PHE B 3 -1.286 8.665 2.802 1.00 0.00 C ATOM 1493 CD2 PHE B 3 -1.572 10.817 1.820 1.00 0.00 C ATOM 1494 CE1 PHE B 3 -1.304 9.231 4.059 1.00 0.00 C ATOM 1495 CE2 PHE B 3 -1.589 11.390 3.076 1.00 0.00 C ATOM 1496 CZ PHE B 3 -1.455 10.594 4.196 1.00 0.00 C ATOM 0 H PHE B 3 -1.267 7.347 -1.620 1.00 0.00 H new ATOM 0 HA PHE B 3 -2.156 6.909 0.947 1.00 0.00 H new ATOM 0 HB2 PHE B 3 -0.375 8.508 0.080 1.00 0.00 H new ATOM 0 HB3 PHE B 3 -1.660 9.584 -0.434 1.00 0.00 H new ATOM 0 HD1 PHE B 3 -1.168 7.596 2.700 1.00 0.00 H new ATOM 0 HD2 PHE B 3 -1.680 11.442 0.946 1.00 0.00 H new ATOM 0 HE1 PHE B 3 -1.200 8.607 4.935 1.00 0.00 H new ATOM 0 HE2 PHE B 3 -1.707 12.458 3.182 1.00 0.00 H new ATOM 0 HZ PHE B 3 -1.469 11.040 5.180 1.00 0.00 H new ATOM 1526 N ASP B 5 -6.370 6.557 -0.636 1.00 0.00 N ATOM 1527 CA ASP B 5 -7.092 5.398 -0.133 1.00 0.00 C ATOM 1528 C ASP B 5 -6.750 5.147 1.324 1.00 0.00 C ATOM 1529 O ASP B 5 -7.599 4.722 2.099 1.00 0.00 O ATOM 1530 CB ASP B 5 -6.770 4.158 -0.973 1.00 0.00 C ATOM 1531 CG ASP B 5 -7.606 4.068 -2.238 1.00 0.00 C ATOM 1532 OD1 ASP B 5 -8.733 3.529 -2.178 1.00 0.00 O ATOM 1533 OD2 ASP B 5 -7.139 4.529 -3.302 1.00 0.00 O ATOM 0 HA ASP B 5 -8.160 5.602 -0.209 1.00 0.00 H new ATOM 0 HB2 ASP B 5 -5.714 4.172 -1.242 1.00 0.00 H new ATOM 0 HB3 ASP B 5 -6.934 3.265 -0.371 1.00 0.00 H new ATOM 1539 N LEU B 6 -5.505 5.421 1.696 1.00 0.00 N ATOM 1540 CA LEU B 6 -5.084 5.306 3.087 1.00 0.00 C ATOM 1541 C LEU B 6 -5.902 6.254 3.954 1.00 0.00 C ATOM 1542 O LEU B 6 -6.406 5.882 5.016 1.00 0.00 O ATOM 1543 CB LEU B 6 -3.592 5.635 3.238 1.00 0.00 C ATOM 1544 CG LEU B 6 -2.732 4.527 3.849 1.00 0.00 C ATOM 1545 CD1 LEU B 6 -3.415 3.946 5.074 1.00 0.00 C ATOM 1546 CD2 LEU B 6 -2.445 3.444 2.820 1.00 0.00 C ATOM 0 H LEU B 6 -4.771 5.724 1.056 1.00 0.00 H new ATOM 0 HA LEU B 6 -5.248 4.278 3.409 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -3.191 5.882 2.255 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -3.495 6.528 3.855 1.00 0.00 H new ATOM 0 HG LEU B 6 -1.779 4.956 4.160 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -2.792 3.159 5.499 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -3.563 4.731 5.815 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -4.381 3.530 4.789 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -1.832 2.665 3.273 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -3.384 3.012 2.475 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -1.913 3.878 1.974 1.00 0.00 H new ATOM 1558 N LEU B 7 -6.030 7.483 3.481 1.00 0.00 N ATOM 1559 CA LEU B 7 -6.808 8.502 4.167 1.00 0.00 C ATOM 1560 C LEU B 7 -8.276 8.106 4.261 1.00 0.00 C ATOM 1561 O LEU B 7 -8.842 8.071 5.355 1.00 0.00 O ATOM 1562 CB LEU B 7 -6.685 9.838 3.433 1.00 0.00 C ATOM 1563 CG LEU B 7 -5.319 10.529 3.557 1.00 0.00 C ATOM 1564 CD1 LEU B 7 -5.287 11.811 2.742 1.00 0.00 C ATOM 1565 CD2 LEU B 7 -5.005 10.836 5.013 1.00 0.00 C ATOM 0 H LEU B 7 -5.599 7.802 2.613 1.00 0.00 H new ATOM 0 HA LEU B 7 -6.413 8.601 5.178 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -6.897 9.675 2.376 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -7.452 10.514 3.811 1.00 0.00 H new ATOM 0 HG LEU B 7 -4.562 9.848 3.168 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -4.310 12.283 2.845 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -5.470 11.580 1.693 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -6.059 12.491 3.103 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -4.033 11.325 5.080 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -5.772 11.495 5.420 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -4.984 9.908 5.584 1.00 0.00 H new ATOM 1597 N TYR B 9 -9.616 5.352 3.934 1.00 0.00 N ATOM 1598 CA TYR B 9 -9.753 4.127 4.713 1.00 0.00 C ATOM 1599 C TYR B 9 -9.999 4.454 6.181 1.00 0.00 C ATOM 1600 O TYR B 9 -10.973 3.995 6.778 1.00 0.00 O ATOM 1601 CB TYR B 9 -8.490 3.270 4.564 1.00 0.00 C ATOM 1602 CG TYR B 9 -8.468 2.022 5.418 1.00 0.00 C ATOM 1603 CD1 TYR B 9 -9.170 0.884 5.042 1.00 0.00 C ATOM 1604 CD2 TYR B 9 -7.734 1.982 6.596 1.00 0.00 C ATOM 1605 CE1 TYR B 9 -9.142 -0.259 5.820 1.00 0.00 C ATOM 1606 CE2 TYR B 9 -7.698 0.846 7.376 1.00 0.00 C ATOM 1607 CZ TYR B 9 -8.403 -0.271 6.985 1.00 0.00 C ATOM 1608 OH TYR B 9 -8.367 -1.405 7.762 1.00 0.00 O ATOM 0 HA TYR B 9 -10.609 3.566 4.337 1.00 0.00 H new ATOM 0 HB2 TYR B 9 -8.386 2.980 3.518 1.00 0.00 H new ATOM 0 HB3 TYR B 9 -7.622 3.880 4.814 1.00 0.00 H new ATOM 0 HD1 TYR B 9 -9.746 0.892 4.129 1.00 0.00 H new ATOM 0 HD2 TYR B 9 -7.181 2.856 6.907 1.00 0.00 H new ATOM 0 HE1 TYR B 9 -9.695 -1.136 5.518 1.00 0.00 H new ATOM 0 HE2 TYR B 9 -7.120 0.832 8.288 1.00 0.00 H new ATOM 0 HH TYR B 9 -7.801 -1.247 8.546 1.00 0.00 H new ATOM 1618 N TYR B 10 -9.108 5.250 6.756 1.00 0.00 N ATOM 1619 CA TYR B 10 -9.221 5.643 8.154 1.00 0.00 C ATOM 1620 C TYR B 10 -10.376 6.618 8.366 1.00 0.00 C ATOM 1621 O TYR B 10 -11.084 6.546 9.370 1.00 0.00 O ATOM 1622 CB TYR B 10 -7.908 6.254 8.647 1.00 0.00 C ATOM 1623 CG TYR B 10 -6.841 5.227 8.954 1.00 0.00 C ATOM 1624 CD1 TYR B 10 -6.850 4.542 10.163 1.00 0.00 C ATOM 1625 CD2 TYR B 10 -5.823 4.945 8.049 1.00 0.00 C ATOM 1626 CE1 TYR B 10 -5.880 3.608 10.463 1.00 0.00 C ATOM 1627 CE2 TYR B 10 -4.849 4.007 8.344 1.00 0.00 C ATOM 1628 CZ TYR B 10 -4.883 3.344 9.554 1.00 0.00 C ATOM 1629 OH TYR B 10 -3.914 2.415 9.855 1.00 0.00 O ATOM 0 H TYR B 10 -8.297 5.637 6.274 1.00 0.00 H new ATOM 0 HA TYR B 10 -9.430 4.746 8.736 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -7.531 6.943 7.891 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -8.104 6.841 9.544 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -7.631 4.745 10.881 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -5.792 5.465 7.103 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -5.904 3.086 11.408 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -4.066 3.795 7.631 1.00 0.00 H new ATOM 0 HH TYR B 10 -3.284 2.345 9.107 1.00 0.00 H new